==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 11-OCT-00 1E9E . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.OSTERMANN,A.LAVIE,S.PADIYAR,R.BRUNDIERS,T.VEIT, . 210 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9960.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 16 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 1 0 0 1 1 1 0 0 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 3 A A 0 0 136 0, 0.0 2,-0.5 0, 0.0 87,-0.1 0.000 360.0 360.0 360.0 137.4 -7.7 64.6 1.2 2 4 A R - 0 0 177 85,-0.1 199,-0.1 1,-0.1 2,-0.1 -0.633 360.0-129.9 -72.6 118.1 -8.8 65.5 4.7 3 5 A R - 0 0 30 -2,-0.5 83,-0.2 198,-0.2 82,-0.1 -0.391 13.1-119.7 -76.8 156.1 -5.9 67.4 6.4 4 6 A G - 0 0 3 81,-2.2 2,-0.3 85,-0.4 86,-0.2 -0.265 32.1-106.8 -78.4 168.3 -4.5 66.5 9.8 5 7 A A - 0 0 0 83,-0.2 86,-2.5 -2,-0.1 2,-0.7 -0.713 16.9-133.0 -95.9 154.3 -4.5 69.0 12.6 6 8 A L E -a 91 0A 0 -2,-0.3 120,-2.6 118,-0.2 121,-1.5 -0.940 29.8-176.3-109.0 111.4 -1.4 70.9 13.9 7 9 A I E -ab 92 127A 0 84,-3.1 86,-3.1 -2,-0.7 2,-0.4 -0.946 4.8-166.6-115.4 126.9 -1.5 70.6 17.7 8 10 A V E -ab 93 128A 0 119,-2.5 121,-3.3 -2,-0.5 2,-0.5 -0.927 9.5-153.3-115.7 139.1 1.1 72.4 19.9 9 11 A L E +ab 94 129A 0 84,-2.8 86,-2.3 -2,-0.4 2,-0.3 -0.948 23.2 172.7-109.0 127.5 1.8 71.9 23.6 10 12 A E E + b 0 130A 0 119,-3.1 121,-2.9 -2,-0.5 2,-0.2 -0.816 13.8 112.7-128.0 167.6 3.3 74.9 25.4 11 13 A G - 0 0 0 -2,-0.3 3,-0.1 119,-0.2 121,-0.1 -0.782 59.6 -61.6 149.5 169.0 4.1 75.7 29.0 12 14 A V S > S- 0 0 2 119,-0.4 3,-1.7 -2,-0.2 5,-0.3 -0.053 75.7 -59.7 -69.8 179.0 7.0 76.4 31.4 13 15 A D T 3 S+ 0 0 19 1,-0.3 -1,-0.2 136,-0.1 131,-0.0 -0.356 125.5 12.6 -60.5 136.2 9.7 74.0 32.3 14 16 A R T 3 S+ 0 0 43 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.621 83.3 129.8 71.0 17.9 8.4 70.8 33.8 15 17 A A S < S- 0 0 1 -3,-1.7 -2,-0.1 -4,-0.1 -1,-0.1 0.657 84.6-103.3 -73.6 -15.1 4.8 71.5 32.9 16 18 A G S > S+ 0 0 17 -4,-0.2 4,-2.7 -5,-0.1 5,-0.3 0.580 76.1 139.9 104.9 12.5 4.6 68.0 31.4 17 19 A K H > S+ 0 0 10 -5,-0.3 4,-2.6 1,-0.2 5,-0.2 0.906 72.9 42.7 -55.6 -51.0 4.9 68.9 27.7 18 20 A S H > S+ 0 0 52 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.947 116.4 48.1 -66.5 -40.0 7.1 66.1 26.6 19 21 A T H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.948 116.2 43.6 -61.5 -47.9 5.2 63.5 28.7 20 22 A Q H X S+ 0 0 7 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.872 111.0 54.0 -70.3 -33.2 1.8 64.7 27.4 21 23 A S H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.928 111.6 45.5 -65.8 -43.5 3.0 65.0 23.8 22 24 A R H X S+ 0 0 134 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.932 115.4 46.4 -62.7 -48.4 4.2 61.4 23.7 23 25 A K H X S+ 0 0 40 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.869 109.9 54.3 -63.3 -36.8 1.1 60.1 25.4 24 26 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.954 109.2 47.4 -64.5 -45.3 -1.2 62.1 23.1 25 27 A V H X S+ 0 0 21 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.942 112.9 49.9 -60.6 -42.5 0.4 60.6 20.0 26 28 A E H X S+ 0 0 130 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.923 113.6 44.8 -60.3 -47.0 0.2 57.1 21.4 27 29 A A H X S+ 0 0 20 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.861 112.4 50.3 -67.0 -40.5 -3.5 57.6 22.3 28 30 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.4 2,-0.2 3,-0.7 0.940 112.6 47.3 -65.6 -44.1 -4.5 59.1 18.9 29 31 A C H ><5S+ 0 0 60 -4,-2.5 3,-1.8 -5,-0.3 -2,-0.2 0.901 109.0 54.3 -63.8 -34.9 -2.7 56.3 17.0 30 32 A A H 3<5S+ 0 0 89 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.741 106.1 54.5 -71.3 -19.6 -4.4 53.8 19.2 31 33 A A T <<5S- 0 0 55 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.102 128.2 -96.2 -97.4 18.0 -7.7 55.4 18.3 32 34 A G T < 5S+ 0 0 70 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.461 82.0 129.9 87.7 0.6 -7.1 55.0 14.6 33 35 A H < - 0 0 54 -5,-2.4 2,-0.8 -6,-0.2 -1,-0.3 -0.587 61.3-125.9 -83.9 154.2 -5.7 58.5 13.8 34 36 A R + 0 0 129 54,-0.4 56,-3.1 -2,-0.2 2,-0.4 -0.915 49.0 160.2 -94.3 106.5 -2.5 59.0 11.9 35 37 A A E -c 90 0A 7 -2,-0.8 2,-0.3 54,-0.2 56,-0.2 -0.981 19.3-170.1-132.7 142.9 -0.6 61.2 14.4 36 38 A E E -c 91 0A 69 54,-2.4 56,-2.6 -2,-0.4 2,-0.4 -0.971 19.7-120.3-132.1 155.7 3.1 61.9 14.7 37 39 A L E +c 92 0A 55 -2,-0.3 2,-0.3 54,-0.2 56,-0.2 -0.788 29.7 169.5-101.0 135.3 5.3 63.6 17.2 38 40 A L E -c 93 0A 19 54,-2.9 56,-2.3 -2,-0.4 2,-0.3 -0.860 9.3-166.8-132.3 163.7 7.5 66.6 16.6 39 41 A R E -c 94 0A 88 -2,-0.3 56,-0.2 54,-0.3 57,-0.1 -0.987 17.2-110.0-148.5 157.1 9.4 68.9 18.9 40 42 A F S S+ 0 0 7 54,-2.4 2,-0.1 -2,-0.3 30,-0.0 -0.993 100.0 43.9-133.0 135.1 11.2 72.3 18.9 41 43 A P S S- 0 0 19 0, 0.0 2,-1.1 0, 0.0 -1,-0.2 0.498 81.2-156.0 -69.7 146.8 14.0 72.8 19.2 42 44 A E > - 0 0 30 1,-0.1 3,-0.9 28,-0.1 6,-0.2 -0.830 12.2-170.2 -89.1 95.7 14.6 69.9 16.7 43 45 A R T 3 + 0 0 87 -2,-1.1 9,-0.2 1,-0.2 -1,-0.1 0.460 65.9 76.4 -76.9 -0.6 18.2 69.2 17.9 44 46 A S T 3 S+ 0 0 78 4,-0.1 -1,-0.2 5,-0.1 2,-0.0 0.655 79.0 79.0 -82.3 -24.8 19.2 66.8 15.1 45 47 A T S <> S- 0 0 27 -3,-0.9 4,-2.4 1,-0.1 5,-0.2 -0.271 96.0-100.2 -79.6 174.4 19.8 69.3 12.3 46 48 A E H > S+ 0 0 169 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.946 128.9 42.4 -58.3 -46.7 22.8 71.5 11.8 47 49 A I H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.923 110.9 58.1 -64.0 -41.6 21.0 74.4 13.4 48 50 A G H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.858 103.4 51.9 -55.2 -40.8 19.6 72.1 16.0 49 51 A K H X S+ 0 0 134 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.891 107.7 51.8 -65.0 -39.0 23.1 71.1 17.1 50 52 A L H X S+ 0 0 97 -4,-1.5 4,-2.2 -3,-0.2 -2,-0.2 0.917 112.7 46.4 -60.5 -43.5 24.0 74.8 17.5 51 53 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.908 111.6 50.4 -67.3 -39.1 21.0 75.3 19.6 52 54 A S H X S+ 0 0 18 -4,-2.9 4,-2.4 1,-0.2 6,-0.2 0.931 110.0 50.0 -65.3 -44.3 21.6 72.2 21.7 53 55 A S H <>S+ 0 0 33 -4,-2.6 5,-2.2 2,-0.2 6,-1.1 0.929 111.9 49.4 -59.2 -42.0 25.2 73.2 22.4 54 56 A Y H ><5S+ 0 0 9 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.955 111.2 47.8 -62.0 -49.0 23.9 76.7 23.4 55 57 A L H 3<5S+ 0 0 10 -4,-2.7 93,-2.8 1,-0.3 -1,-0.2 0.850 109.9 53.1 -63.1 -32.9 21.3 75.3 25.8 56 58 A Q T 3<5S- 0 0 79 -4,-2.4 -1,-0.3 91,-0.2 -2,-0.2 0.472 113.6-119.8 -80.1 -0.8 23.9 72.9 27.3 57 59 A K T < 5S+ 0 0 110 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.646 80.9 124.1 69.1 19.9 26.2 75.9 28.0 58 60 A K S - 0 0 111 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.361 37.7-119.6 -57.1 138.5 24.5 86.2 20.9 63 65 A D H > S+ 0 0 60 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.754 109.7 45.6 -57.0 -37.9 20.9 86.6 22.0 64 66 A H H > S+ 0 0 75 2,-0.2 4,-2.5 1,-0.1 -1,-0.2 0.906 113.2 51.5 -71.0 -42.9 19.5 87.8 18.8 65 67 A S H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.943 110.5 47.6 -57.0 -46.1 21.3 85.2 16.8 66 68 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.917 109.1 54.2 -68.0 -33.0 20.1 82.4 19.0 67 69 A H H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.938 111.3 46.1 -60.1 -44.6 16.5 83.7 18.8 68 70 A L H X S+ 0 0 80 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.858 109.6 53.8 -68.4 -36.0 16.8 83.6 15.0 69 71 A L H X S+ 0 0 35 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.908 105.4 53.9 -64.5 -39.7 18.3 80.2 15.0 70 72 A F H X S+ 0 0 19 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.901 113.1 44.0 -59.8 -40.0 15.3 78.9 17.1 71 73 A S H >X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 3,-1.0 0.914 111.1 52.0 -70.8 -44.1 13.0 80.3 14.4 72 74 A A H 3X S+ 0 0 33 -4,-2.9 4,-2.3 1,-0.3 -2,-0.2 0.857 103.0 61.3 -58.7 -33.9 15.1 79.0 11.5 73 75 A N H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.765 107.8 43.6 -66.8 -25.5 14.9 75.6 13.2 74 76 A R H X< S+ 0 0 5 -3,-1.0 3,-1.9 -4,-0.7 4,-0.5 0.913 110.7 54.0 -80.3 -47.1 11.1 75.7 12.8 75 77 A W H >< S+ 0 0 92 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.834 99.7 61.6 -58.2 -35.6 11.2 77.0 9.2 76 78 A E T 3< S+ 0 0 74 -4,-2.3 -1,-0.3 1,-0.3 4,-0.3 0.704 106.8 46.6 -68.7 -12.8 13.4 74.1 8.1 77 79 A Q T <> S+ 0 0 36 -3,-1.9 4,-2.7 -4,-0.2 -1,-0.3 0.457 86.9 94.2-101.2 -2.4 10.7 71.7 9.1 78 80 A V H <> S+ 0 0 9 -3,-1.6 4,-2.9 -4,-0.5 5,-0.3 0.900 81.3 51.4 -60.5 -43.7 7.9 73.7 7.4 79 81 A P H > S+ 0 0 92 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.935 114.4 45.7 -58.8 -42.6 7.9 71.8 4.1 80 82 A L H > S+ 0 0 78 -4,-0.3 4,-2.9 2,-0.2 5,-0.2 0.907 112.4 50.4 -64.3 -42.4 7.7 68.5 6.1 81 83 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.942 112.4 46.8 -62.0 -46.7 4.9 69.9 8.4 82 84 A K H X S+ 0 0 116 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.912 113.3 48.5 -63.0 -42.4 2.9 71.1 5.4 83 85 A E H X S+ 0 0 98 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.937 112.8 47.5 -64.0 -46.1 3.3 67.8 3.5 84 86 A K H <>S+ 0 0 42 -4,-2.9 5,-2.5 2,-0.2 4,-0.4 0.930 112.8 47.8 -61.5 -46.2 2.3 65.7 6.5 85 87 A L H ><5S+ 0 0 2 -4,-2.6 -81,-2.2 1,-0.2 3,-1.9 0.941 111.2 51.3 -60.3 -44.1 -0.7 67.7 7.4 86 88 A S H 3<5S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.821 105.1 56.9 -65.2 -26.5 -1.9 67.7 3.8 87 89 A Q T 3<5S- 0 0 90 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.475 126.7-101.3 -79.1 -6.8 -1.4 63.9 3.8 88 90 A G T < 5S+ 0 0 21 -3,-1.9 2,-0.5 -4,-0.4 -54,-0.4 0.561 76.0 140.5 101.3 8.6 -3.9 63.7 6.7 89 91 A V < - 0 0 0 -5,-2.5 2,-0.4 -6,-0.2 -85,-0.4 -0.744 46.0-139.3 -87.8 131.9 -1.3 63.2 9.5 90 92 A T E - c 0 35A 2 -56,-3.1 -54,-2.4 -2,-0.5 2,-0.5 -0.752 17.2-148.0 -87.3 135.9 -2.0 65.1 12.7 91 93 A L E -ac 6 36A 0 -86,-2.5 -84,-3.1 -2,-0.4 2,-0.5 -0.938 8.4-161.6-112.4 126.1 1.2 66.5 14.2 92 94 A V E -ac 7 37A 0 -56,-2.6 -54,-2.9 -2,-0.5 2,-0.5 -0.936 17.5-162.3-103.5 118.0 1.6 66.9 17.9 93 95 A V E -ac 8 38A 0 -86,-3.1 -84,-2.8 -2,-0.5 2,-1.1 -0.944 17.9-146.1-117.3 121.0 4.4 69.4 18.6 94 96 A D E S-ac 9 39A 18 -56,-2.3 -54,-2.4 -2,-0.5 -84,-0.1 -0.800 79.7 -18.1 -85.4 95.8 6.3 69.8 21.9 95 97 A R S S+ 0 0 50 -86,-2.3 2,-0.2 -2,-1.1 -85,-0.1 0.420 70.5 176.6 81.1 148.1 6.9 73.6 21.8 96 98 A Y > - 0 0 1 -57,-0.1 4,-1.5 -88,-0.1 3,-0.4 -0.615 57.0 -36.6-151.3-147.1 6.7 76.0 18.9 97 99 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.722 125.0 66.5 -61.5 -23.7 7.0 79.7 18.2 98 100 A F H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.926 102.9 44.9 -68.4 -46.0 5.3 80.6 21.5 99 101 A S H > S+ 0 0 9 -3,-0.4 4,-2.6 1,-0.2 5,-0.4 0.871 109.3 59.1 -59.2 -38.1 8.2 79.2 23.5 100 102 A G H X S+ 0 0 7 -4,-1.5 4,-1.5 1,-0.2 5,-0.2 0.939 113.0 36.9 -58.5 -44.1 10.5 81.0 21.0 101 103 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.905 117.0 51.0 -75.5 -43.1 8.9 84.4 21.9 102 104 A A H < S+ 0 0 0 -4,-2.9 4,-0.5 2,-0.2 59,-0.2 0.863 112.5 44.5 -65.7 -37.3 8.4 83.7 25.6 103 105 A Y H >< S+ 0 0 16 -4,-2.6 3,-0.7 2,-0.2 -1,-0.2 0.921 118.9 40.4 -77.8 -41.3 12.0 82.5 26.3 104 106 A T H >< S+ 0 0 2 -4,-1.5 3,-2.2 -5,-0.4 -2,-0.2 0.910 110.4 61.6 -71.3 -30.6 13.8 85.3 24.4 105 107 A G T 3< S+ 0 0 16 -4,-2.3 5,-0.2 1,-0.3 -1,-0.2 0.680 89.7 70.0 -67.2 -14.5 11.2 87.7 25.8 106 108 A A T < S+ 0 0 4 -3,-0.7 2,-0.4 -4,-0.5 -1,-0.3 0.501 85.5 83.7 -79.6 -4.8 12.4 86.9 29.2 107 109 A K S X S- 0 0 22 -3,-2.2 3,-0.9 3,-0.1 47,-0.0 -0.847 93.4-107.4 -97.7 137.0 15.6 88.7 28.3 108 110 A E T 3 S+ 0 0 130 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.259 100.0 26.8 -60.4 153.3 15.5 92.5 28.8 109 111 A N T 3 S+ 0 0 152 1,-0.2 2,-0.5 -4,-0.1 -1,-0.2 0.713 88.0 116.7 66.7 23.2 15.4 94.7 25.7 110 112 A F < - 0 0 22 -3,-0.9 -1,-0.2 -5,-0.2 -3,-0.1 -0.934 55.7-150.7-119.6 102.5 13.6 92.0 23.6 111 113 A S > - 0 0 66 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.393 20.4-123.0 -71.6 155.1 10.2 93.3 22.6 112 114 A L H > S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.897 112.5 54.7 -59.7 -41.7 7.4 90.8 22.0 113 115 A D H > S+ 0 0 107 2,-0.2 4,-1.6 1,-0.2 3,-0.2 0.942 108.3 45.4 -57.5 -54.0 7.0 92.3 18.5 114 116 A W H 4 S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.901 112.7 52.8 -59.8 -40.4 10.6 91.8 17.5 115 117 A C H < S+ 0 0 0 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.862 109.1 49.1 -65.1 -33.7 10.5 88.3 18.9 116 118 A K H >X S+ 0 0 46 -4,-2.0 3,-1.3 -3,-0.2 4,-0.5 0.832 91.6 79.8 -71.4 -36.0 7.4 87.3 16.9 117 119 A Q G >< S+ 0 0 88 -4,-1.6 3,-1.6 1,-0.3 -1,-0.2 0.776 85.3 54.1 -48.6 -48.3 8.6 88.5 13.5 118 120 A P G 34 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.857 112.4 47.2 -57.3 -31.0 10.8 85.7 12.4 119 121 A D G X4 S+ 0 0 0 -3,-1.3 3,-2.3 -4,-0.4 -2,-0.2 0.479 80.4 122.0 -90.3 -3.1 8.0 83.2 13.0 120 122 A V T << S+ 0 0 37 -3,-1.6 89,-0.2 -4,-0.5 90,-0.1 -0.418 77.1 25.6 -61.0 126.3 5.4 85.3 11.2 121 123 A G T 3 S+ 0 0 12 87,-3.2 -1,-0.3 1,-0.3 3,-0.1 0.295 85.1 135.4 100.5 -6.9 4.0 83.0 8.5 122 124 A L S < S- 0 0 0 -3,-2.3 86,-3.3 86,-0.3 -1,-0.3 -0.252 75.7 -73.4 -64.4 164.2 4.7 79.6 10.0 123 125 A P B -E 207 0B 2 0, 0.0 84,-0.2 0, 0.0 -1,-0.2 -0.327 56.3-124.6 -54.4 128.4 1.9 77.1 9.8 124 126 A K - 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0 0 34 -3,-1.9 3,-1.0 1,-0.2 5,-0.2 -0.682 50.4-176.0 -80.2 106.8 -3.9 86.8 21.0 169 171 A T T 3 S+ 0 0 137 -2,-0.9 -1,-0.2 1,-0.2 -3,-0.0 0.428 70.4 86.1 -80.3 -3.2 -7.4 85.6 20.3 170 172 A T T 3 S+ 0 0 80 2,-0.1 2,-0.4 -3,-0.0 -1,-0.2 0.612 86.1 68.3 -72.1 -10.0 -6.2 84.8 16.7 171 173 A L S < S- 0 0 13 -3,-1.0 2,-1.9 -5,-0.1 -45,-0.1 -0.893 87.1-123.4-115.5 148.3 -5.1 81.5 18.2 172 174 A N + 0 0 69 -47,-0.4 -44,-2.5 -2,-0.4 2,-0.3 -0.554 43.5 176.2 -83.3 76.7 -7.1 78.6 19.5 173 175 A W E -d 128 0A 32 -2,-1.9 2,-0.4 -5,-0.2 -44,-0.2 -0.654 10.2-170.4 -83.6 137.8 -5.5 78.5 22.9 174 176 A K E -d 129 0A 84 -46,-2.7 -44,-2.7 -2,-0.3 2,-0.3 -0.995 16.6-136.8-130.1 125.2 -6.8 76.0 25.4 175 177 A M E -d 130 0A 80 -2,-0.4 2,-0.4 -46,-0.2 -44,-0.2 -0.582 18.4-164.9 -81.9 138.0 -5.8 76.0 29.1 176 178 A V E -d 131 0A 4 -46,-2.4 -44,-2.2 -2,-0.3 2,-1.4 -0.987 25.0-125.6-120.8 132.6 -5.0 72.6 30.6 177 179 A D E > +d 132 0A 74 -2,-0.4 3,-1.0 1,-0.2 -44,-0.2 -0.681 32.4 179.3 -80.5 95.6 -4.8 72.1 34.4 178 180 A A T 3 + 0 0 2 -46,-2.2 -45,-0.2 -2,-1.4 -1,-0.2 0.412 63.9 81.6 -80.0 4.3 -1.3 70.6 34.3 179 181 A S T 3 S+ 0 0 61 -47,-0.5 -1,-0.2 6,-0.0 3,-0.1 0.604 77.4 87.9 -81.4 -15.2 -1.2 70.2 38.1 180 182 A K S < S- 0 0 85 -3,-1.0 0, 0.0 1,-0.2 0, 0.0 -0.045 94.4 -66.1 -72.7-173.6 -3.3 67.0 37.9 181 183 A S > - 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