==== 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 10-OCT-00 1E9A . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.OSTERMANN,A.LAVIE,S.PADIYAR,R.BRUNDIERS,T.VEIT, . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 11.1 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 . 14 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.4 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 1 0 0 0 2 1 0 0 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 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 4 A R 0 0 233 0, 0.0 200,-0.1 0, 0.0 199,-0.0 0.000 360.0 360.0 360.0 105.7 -8.8 65.9 5.0 2 5 A R - 0 0 45 198,-0.3 83,-0.2 1,-0.1 82,-0.1 -0.259 360.0-116.7 -67.1 156.6 -5.9 67.8 6.6 3 6 A G - 0 0 3 81,-2.2 2,-0.3 85,-0.3 86,-0.2 -0.303 32.7-106.7 -77.1 165.2 -4.4 66.9 10.0 4 7 A A - 0 0 0 83,-0.2 86,-2.5 -2,-0.1 2,-0.7 -0.710 17.3-134.6 -92.9 148.9 -4.5 69.4 12.9 5 8 A L E -a 90 0A 0 -2,-0.3 120,-2.3 84,-0.2 121,-1.3 -0.918 29.8-177.6-106.0 108.5 -1.4 71.4 14.2 6 9 A I E -ab 91 126A 0 84,-3.0 86,-3.3 -2,-0.7 2,-0.4 -0.935 5.8-166.6-113.6 124.5 -1.5 71.1 18.0 7 10 A V E -ab 92 127A 0 119,-2.6 121,-3.0 -2,-0.5 2,-0.5 -0.909 8.9-154.2-113.0 140.5 1.1 72.8 20.2 8 11 A L E +ab 93 128A 0 84,-2.8 86,-2.3 -2,-0.4 2,-0.3 -0.954 22.5 165.9-108.5 125.7 1.8 72.3 23.8 9 12 A E E + b 0 129A 0 119,-3.1 121,-2.7 -2,-0.5 2,-0.3 -0.812 13.1 129.5-127.0 167.0 3.3 75.2 25.7 10 13 A G E - b 0 130A 2 -2,-0.3 121,-0.2 119,-0.3 3,-0.1 -0.913 48.7 -51.3 163.9 171.8 3.6 75.7 29.5 11 14 A V S > S- 0 0 8 119,-2.0 3,-1.7 -2,-0.3 5,-0.3 -0.282 75.2 -68.7 -73.9 157.8 5.3 76.4 32.8 12 15 A D T 3 S+ 0 0 15 1,-0.3 -1,-0.2 2,-0.1 137,-0.0 -0.102 121.5 3.1 -48.2 134.5 8.6 74.7 33.8 13 16 A R T 3 S+ 0 0 49 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.821 90.8 138.9 54.7 31.3 8.2 71.1 34.6 14 17 A A S < S- 0 0 2 -3,-1.7 -2,-0.1 -4,-0.1 -1,-0.1 0.771 75.3-104.5 -77.1 -19.2 4.6 71.6 33.6 15 18 A G S > S+ 0 0 17 -4,-0.2 4,-2.7 -5,-0.1 5,-0.3 0.609 70.6 143.3 106.6 20.9 4.6 68.3 31.7 16 19 A K H > S+ 0 0 13 -5,-0.3 4,-2.4 1,-0.2 5,-0.2 0.913 77.0 42.2 -58.0 -48.8 4.8 69.3 28.0 17 20 A S H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.937 115.4 49.1 -69.8 -42.6 7.0 66.4 26.9 18 21 A T H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.937 116.3 42.9 -58.8 -48.2 5.2 63.8 29.0 19 22 A Q H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.867 110.8 55.0 -70.5 -30.0 1.8 65.0 27.6 20 23 A S H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.929 111.4 45.0 -66.7 -45.1 3.0 65.4 24.1 21 24 A R H X S+ 0 0 136 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.935 115.1 47.3 -62.8 -45.3 4.2 61.8 24.0 22 25 A K H X S+ 0 0 40 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.828 109.4 54.5 -64.6 -36.7 1.0 60.5 25.7 23 26 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.936 108.8 46.8 -63.8 -47.0 -1.2 62.4 23.3 24 27 A V H X S+ 0 0 21 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.946 112.6 51.2 -61.5 -42.1 0.4 61.0 20.2 25 28 A E H X S+ 0 0 130 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.915 113.2 44.7 -60.4 -44.6 0.2 57.5 21.6 26 29 A A H X S+ 0 0 22 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.879 112.0 50.9 -68.2 -40.5 -3.5 57.9 22.4 27 30 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 3,-0.6 0.933 112.0 47.2 -63.5 -45.2 -4.5 59.5 19.1 28 31 A C H ><5S+ 0 0 61 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.896 109.2 53.7 -63.3 -35.8 -2.7 56.7 17.2 29 32 A A H 3<5S+ 0 0 91 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.721 106.0 55.1 -70.5 -23.2 -4.4 54.0 19.3 30 33 A A T <<5S- 0 0 59 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.123 128.7 -97.0 -93.3 17.6 -7.8 55.7 18.4 31 34 A G T < 5S+ 0 0 69 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.516 81.4 130.4 84.4 0.9 -7.1 55.3 14.7 32 35 A H < - 0 0 49 -5,-2.4 2,-0.7 -6,-0.2 -1,-0.3 -0.559 60.3-124.6 -82.4 154.8 -5.7 58.7 13.9 33 36 A R + 0 0 143 54,-0.4 56,-2.6 -2,-0.2 2,-0.3 -0.932 49.7 156.8 -92.4 109.3 -2.5 59.4 12.1 34 37 A A E -c 89 0A 8 -2,-0.7 2,-0.3 54,-0.2 56,-0.2 -0.996 21.0-171.1-139.6 146.8 -0.5 61.6 14.5 35 38 A E E -c 90 0A 77 54,-2.4 56,-2.5 -2,-0.3 2,-0.4 -0.962 20.5-120.3-137.2 152.1 3.2 62.3 14.9 36 39 A L E +c 91 0A 54 -2,-0.3 2,-0.3 54,-0.2 56,-0.2 -0.782 28.0 172.1 -96.1 135.6 5.3 64.1 17.5 37 40 A L E -c 92 0A 19 54,-2.8 56,-2.4 -2,-0.4 2,-0.3 -0.875 8.8-167.5-129.6 163.2 7.6 67.1 16.8 38 41 A R E -c 93 0A 85 -2,-0.3 56,-0.2 54,-0.2 57,-0.1 -0.989 18.0-106.7-149.0 154.5 9.5 69.3 19.3 39 42 A F S S+ 0 0 10 54,-2.4 2,-0.2 -2,-0.3 30,-0.0 -0.996 99.6 41.8-129.1 140.7 11.3 72.6 19.3 40 43 A P S S- 0 0 16 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.527 80.2-155.6 -67.5 150.4 14.1 73.1 19.5 41 44 A E > - 0 0 27 -2,-0.2 3,-0.9 1,-0.1 6,-0.1 -0.863 11.0-169.4 -92.3 102.4 14.8 70.3 17.1 42 45 A R T 3 + 0 0 92 -2,-1.0 9,-0.2 1,-0.2 -1,-0.1 0.523 66.0 79.2 -80.5 0.0 18.3 69.6 18.2 43 46 A S T 3 S+ 0 0 81 4,-0.1 -1,-0.2 5,-0.1 2,-0.1 0.680 78.5 76.1 -81.2 -21.0 19.2 67.2 15.3 44 47 A T S <> S- 0 0 28 -3,-0.9 4,-2.5 1,-0.1 5,-0.2 -0.323 97.0 -98.6 -85.5 175.6 19.9 69.8 12.6 45 48 A E H > S+ 0 0 171 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.935 128.7 43.0 -56.9 -46.1 23.0 72.0 12.2 46 49 A I H > S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 110.3 56.4 -66.0 -40.5 21.1 74.8 13.8 47 50 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.898 103.7 54.3 -60.3 -36.7 19.7 72.6 16.4 48 51 A K H X S+ 0 0 139 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.887 107.3 49.9 -65.4 -38.2 23.2 71.5 17.5 49 52 A L H X S+ 0 0 95 -4,-1.4 4,-2.0 -5,-0.2 -1,-0.2 0.893 112.9 47.9 -63.4 -39.8 24.2 75.1 18.0 50 53 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.904 110.1 51.2 -68.0 -37.8 21.0 75.6 20.1 51 54 A S H X S+ 0 0 20 -4,-2.7 4,-2.1 2,-0.2 6,-0.2 0.935 109.4 49.9 -67.2 -41.5 21.6 72.5 22.2 52 55 A S H <>S+ 0 0 37 -4,-2.3 5,-2.4 1,-0.2 6,-1.0 0.944 111.5 49.9 -62.6 -39.0 25.2 73.6 23.0 53 56 A Y H ><5S+ 0 0 7 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.927 110.4 48.6 -64.2 -45.8 23.9 77.0 24.0 54 57 A L H 3<5S+ 0 0 12 -4,-2.5 93,-3.2 1,-0.3 -1,-0.2 0.842 109.2 53.1 -65.8 -31.7 21.2 75.6 26.3 55 58 A Q T 3<5S- 0 0 54 -4,-2.1 -1,-0.3 91,-0.2 -2,-0.2 0.387 114.0-119.1 -81.2 0.3 23.7 73.3 27.9 56 59 A K T < 5S+ 0 0 128 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.710 81.2 124.0 66.5 23.8 26.0 76.3 28.6 57 60 A K S - 0 0 111 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.267 38.7-119.5 -51.7 139.1 24.7 86.7 21.4 62 65 A D H > S+ 0 0 64 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.807 110.0 44.0 -60.2 -41.0 21.0 87.2 22.5 63 66 A H H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.1 -1,-0.2 0.921 113.7 51.7 -69.5 -45.3 19.6 88.4 19.2 64 67 A S H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.933 110.4 47.8 -55.6 -46.9 21.5 85.8 17.2 65 68 A V H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.893 108.9 54.6 -65.9 -35.5 20.2 82.9 19.4 66 69 A H H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.946 110.4 46.2 -59.2 -44.2 16.7 84.2 19.1 67 70 A L H X S+ 0 0 82 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.862 109.7 54.0 -68.8 -34.3 16.9 84.1 15.3 68 71 A L H X S+ 0 0 35 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.933 106.1 53.2 -65.7 -41.1 18.5 80.6 15.4 69 72 A F H X S+ 0 0 22 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.899 113.2 43.6 -58.2 -41.9 15.5 79.4 17.4 70 73 A S H >X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 3,-0.9 0.920 110.9 53.3 -68.9 -44.8 13.1 80.8 14.8 71 74 A A H 3X S+ 0 0 37 -4,-2.8 4,-2.4 1,-0.3 -2,-0.2 0.883 102.5 60.9 -58.1 -33.3 15.2 79.5 11.9 72 75 A N H 3< S+ 0 0 0 -4,-2.4 4,-0.3 2,-0.2 -1,-0.3 0.762 107.1 44.7 -65.2 -29.1 15.0 76.0 13.5 73 76 A R H X< S+ 0 0 5 -3,-0.9 3,-1.5 -4,-0.8 4,-0.3 0.928 111.0 52.8 -78.8 -42.7 11.2 76.2 13.2 74 77 A W H >< S+ 0 0 99 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.845 100.2 61.3 -62.8 -34.0 11.3 77.5 9.6 75 78 A E T 3< S+ 0 0 73 -4,-2.4 4,-0.3 1,-0.3 -1,-0.3 0.763 106.9 47.6 -65.7 -20.4 13.6 74.6 8.5 76 79 A Q T <> S+ 0 0 33 -3,-1.5 4,-2.6 -4,-0.3 -1,-0.3 0.396 85.7 93.1 -94.7 -4.5 10.8 72.2 9.5 77 80 A V H <> S+ 0 0 11 -3,-1.7 4,-2.8 -4,-0.3 5,-0.3 0.922 81.6 53.5 -61.2 -40.0 8.0 74.1 7.7 78 81 A P H > S+ 0 0 93 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.953 113.5 44.4 -60.4 -40.6 8.1 72.1 4.5 79 82 A L H > S+ 0 0 62 -4,-0.3 4,-3.0 1,-0.2 5,-0.2 0.894 112.8 51.9 -66.8 -43.5 7.8 68.9 6.5 80 83 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.930 112.2 44.7 -59.3 -47.3 5.0 70.3 8.6 81 84 A K H X S+ 0 0 118 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.902 113.1 51.3 -67.9 -36.2 3.0 71.4 5.6 82 85 A E H X S+ 0 0 107 -4,-2.3 4,-1.3 -5,-0.3 -2,-0.2 0.962 112.2 46.0 -65.4 -48.3 3.5 68.1 3.8 83 86 A K H ><>S+ 0 0 45 -4,-3.0 5,-2.6 2,-0.2 3,-0.6 0.917 113.4 47.9 -60.0 -46.3 2.4 66.1 6.9 84 87 A L H ><5S+ 0 0 3 -4,-2.4 -81,-2.2 1,-0.3 3,-1.9 0.946 109.9 53.3 -61.9 -39.0 -0.7 68.2 7.6 85 88 A S H 3<5S+ 0 0 86 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.754 105.1 55.4 -68.7 -22.8 -1.7 68.0 3.9 86 89 A Q T <<5S- 0 0 91 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.365 126.0-100.1 -88.0 0.6 -1.5 64.2 4.0 87 90 A G T < 5S+ 0 0 19 -3,-1.9 2,-0.5 1,-0.3 -54,-0.4 0.549 76.3 141.0 92.4 17.6 -3.9 64.1 6.9 88 91 A V < - 0 0 1 -5,-2.6 -85,-0.3 -6,-0.2 2,-0.3 -0.789 45.2-140.9 -95.9 126.3 -1.3 63.6 9.7 89 92 A T E - c 0 34A 3 -56,-2.6 -54,-2.4 -2,-0.5 2,-0.5 -0.656 16.8-148.6 -79.4 134.6 -2.0 65.5 12.9 90 93 A L E -ac 5 35A 2 -86,-2.5 -84,-3.0 -2,-0.3 2,-0.6 -0.946 8.6-160.8-112.3 129.7 1.2 67.0 14.5 91 94 A V E -ac 6 36A 0 -56,-2.5 -54,-2.8 -2,-0.5 2,-0.5 -0.964 16.7-161.1-106.8 117.6 1.6 67.3 18.2 92 95 A V E -ac 7 37A 0 -86,-3.3 -84,-2.8 -2,-0.6 2,-1.0 -0.922 15.3-147.4-115.7 120.3 4.4 69.9 18.9 93 96 A D E S-ac 8 38A 19 -56,-2.4 -54,-2.4 -2,-0.5 -84,-0.1 -0.767 79.5 -14.9 -85.9 95.8 6.3 70.2 22.2 94 97 A R S S+ 0 0 55 -86,-2.3 2,-0.2 -2,-1.0 -85,-0.1 0.454 73.3 175.3 79.6 145.6 7.0 74.0 22.3 95 98 A Y >> - 0 0 1 -57,-0.1 4,-1.4 -88,-0.1 3,-0.7 -0.610 55.3 -37.8-150.9-144.2 6.8 76.3 19.3 96 99 A A H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.757 124.5 66.0 -64.7 -24.8 7.1 80.1 18.5 97 100 A F H 3> S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.919 102.3 46.0 -65.5 -43.3 5.4 81.1 21.8 98 101 A S H <> S+ 0 0 11 -3,-0.7 4,-2.5 1,-0.2 5,-0.3 0.893 109.8 57.7 -62.1 -39.2 8.3 79.7 23.9 99 102 A G H X S+ 0 0 8 -4,-1.4 4,-1.5 2,-0.2 5,-0.2 0.917 113.2 37.8 -56.9 -46.8 10.6 81.5 21.4 100 103 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.919 116.5 51.1 -71.8 -43.0 9.0 84.9 22.2 101 104 A A H X S+ 0 0 0 -4,-3.0 4,-0.5 -5,-0.2 59,-0.2 0.872 111.4 45.7 -66.7 -36.3 8.5 84.3 25.9 102 105 A F H >< S+ 0 0 23 -4,-2.5 3,-0.5 -5,-0.2 4,-0.2 0.932 119.7 38.3 -77.2 -42.8 12.1 83.2 26.6 103 106 A T H >< S+ 0 0 2 -4,-1.5 3,-2.0 -5,-0.3 -2,-0.2 0.892 112.9 58.0 -72.1 -32.4 13.8 86.0 24.7 104 107 A G H 3< S+ 0 0 11 -4,-2.5 5,-0.2 1,-0.3 -1,-0.2 0.644 95.1 66.6 -70.6 -15.2 11.2 88.5 25.8 105 108 A A T << S+ 0 0 2 -4,-0.5 -1,-0.3 -3,-0.5 2,-0.2 0.577 87.8 86.7 -76.9 -17.0 12.1 87.7 29.4 106 109 A K S X S- 0 0 21 -3,-2.0 3,-0.8 -4,-0.2 2,-0.0 -0.537 94.7 -89.2 -81.6 158.6 15.6 89.3 28.8 107 110 A E T 3 S+ 0 0 126 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.342 104.9 13.3 -69.2 143.9 16.2 93.0 29.2 108 111 A N T 3 S+ 0 0 157 1,-0.2 2,-0.5 -4,-0.1 -1,-0.2 0.817 89.8 123.3 64.1 34.8 15.6 95.3 26.3 109 112 A F < - 0 0 20 -3,-0.8 -1,-0.2 -5,-0.2 2,-0.1 -0.943 50.1-149.4-123.0 107.1 13.7 92.8 24.1 110 113 A S > - 0 0 65 -2,-0.5 4,-2.1 1,-0.1 5,-0.1 -0.464 19.9-126.0 -76.2 150.3 10.3 94.0 23.0 111 114 A L H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.889 111.6 57.2 -59.6 -36.1 7.6 91.4 22.4 112 115 A D H > S+ 0 0 108 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.941 107.7 44.2 -58.6 -52.2 7.1 93.0 18.9 113 116 A W H 4 S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.902 113.3 53.4 -60.4 -38.6 10.7 92.4 17.9 114 117 A C H < S+ 0 0 0 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.876 108.3 49.4 -65.8 -37.1 10.6 88.9 19.3 115 118 A K H >X S+ 0 0 51 -4,-2.3 3,-1.2 1,-0.2 4,-0.6 0.833 91.4 79.5 -69.0 -35.1 7.5 87.9 17.4 116 119 A Q G >< S+ 0 0 90 -4,-1.5 3,-1.4 1,-0.3 -1,-0.2 0.803 84.6 55.2 -52.0 -45.8 8.6 89.0 13.9 117 120 A P G 34 S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.873 111.6 46.9 -57.2 -33.6 10.9 86.2 12.8 118 121 A D G X4 S+ 0 0 0 -3,-1.2 3,-2.2 -4,-0.4 -2,-0.2 0.463 80.9 122.1 -88.0 -2.5 8.1 83.7 13.4 119 122 A V T << S+ 0 0 53 -3,-1.4 89,-0.2 -4,-0.6 -3,-0.0 -0.393 76.2 25.5 -60.0 129.1 5.4 85.7 11.6 120 123 A G T 3 S+ 0 0 20 87,-2.9 -1,-0.3 1,-0.3 3,-0.1 0.335 85.7 135.7 100.9 -12.6 4.0 83.6 8.8 121 124 A L S < S- 0 0 0 -3,-2.2 86,-3.4 86,-0.3 -1,-0.3 -0.276 75.0 -71.3 -63.7 161.6 4.8 80.1 10.3 122 125 A P B -E 206 0B 3 0, 0.0 84,-0.2 0, 0.0 -1,-0.2 -0.284 57.7-124.5 -50.6 129.6 2.0 77.5 10.1 123 126 A K - 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