==== 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 1E9D . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.OSTERMANN,A.LAVIE,S.PADIYAR,R.BRUNDIERS,T.VEIT, . 209 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9945.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 74.6 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 . 15 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 39.7 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 0 2 1 0 0 1 1 1 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 0 130 0, 0.0 2,-0.2 0, 0.0 87,-0.2 0.000 360.0 360.0 360.0 128.1 -7.5 64.9 1.4 2 4 A R - 0 0 178 85,-0.1 2,-0.2 1,-0.1 199,-0.1 -0.476 360.0-124.7 -62.8 124.5 -8.8 65.9 4.8 3 5 A R - 0 0 30 198,-0.2 83,-0.2 197,-0.2 82,-0.1 -0.513 14.5-121.3 -82.7 157.5 -5.9 67.8 6.5 4 6 A G - 0 0 2 81,-2.1 2,-0.3 85,-0.3 86,-0.2 -0.267 31.9-105.3 -77.6 167.7 -4.4 66.9 9.9 5 7 A A - 0 0 0 83,-0.2 86,-2.5 188,-0.1 2,-0.7 -0.674 16.5-135.6 -95.3 149.4 -4.4 69.4 12.8 6 8 A L E -a 91 0A 0 -2,-0.3 120,-2.4 84,-0.2 121,-1.3 -0.937 29.9-176.4-105.3 113.1 -1.3 71.3 14.0 7 9 A I E -ab 92 127A 0 84,-3.2 86,-3.0 -2,-0.7 2,-0.4 -0.946 5.7-165.2-114.1 131.6 -1.4 71.1 17.8 8 10 A V E -ab 93 128A 0 119,-2.4 121,-3.0 -2,-0.5 2,-0.5 -0.936 9.0-154.6-117.8 137.2 1.1 72.9 20.0 9 11 A L E +ab 94 129A 0 84,-2.9 86,-2.4 -2,-0.4 2,-0.3 -0.939 23.3 169.3-108.1 127.0 1.9 72.4 23.6 10 12 A E E + b 0 130A 0 119,-2.7 121,-2.7 -2,-0.5 2,-0.2 -0.813 13.0 114.4-128.9 167.3 3.4 75.3 25.5 11 13 A G - 0 0 0 -2,-0.3 121,-0.1 119,-0.2 3,-0.1 -0.787 59.7 -59.2 149.7 170.6 4.1 76.2 29.2 12 14 A V S > S- 0 0 2 119,-0.4 3,-1.7 -2,-0.2 5,-0.3 -0.094 74.6 -61.1 -72.1 177.5 6.9 76.8 31.6 13 15 A D T 3 S+ 0 0 21 1,-0.3 -1,-0.2 136,-0.1 131,-0.0 -0.273 123.4 11.4 -57.8 132.7 9.7 74.4 32.5 14 16 A R T 3 S+ 0 0 45 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.532 83.7 129.3 71.4 16.0 8.5 71.1 34.0 15 17 A A S < S- 0 0 2 -3,-1.7 -2,-0.1 1,-0.1 -1,-0.1 0.680 84.6-102.9 -72.9 -17.6 4.9 71.8 33.1 16 18 A G S > S+ 0 0 18 -4,-0.2 4,-2.9 -5,-0.1 5,-0.2 0.583 75.5 139.9 106.7 12.6 4.7 68.4 31.6 17 19 A K H > S+ 0 0 11 -5,-0.3 4,-2.7 2,-0.2 5,-0.2 0.919 74.0 42.4 -58.3 -46.6 4.9 69.3 27.9 18 20 A S H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 116.7 47.8 -68.0 -45.9 7.2 66.5 26.8 19 21 A T H > S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.914 117.3 42.4 -58.3 -53.0 5.3 63.8 28.8 20 22 A Q H X S+ 0 0 7 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.864 110.9 55.5 -66.6 -34.1 1.9 65.0 27.5 21 23 A S H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.909 111.5 44.5 -59.4 -46.6 3.1 65.4 23.9 22 24 A R H X S+ 0 0 139 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.912 115.4 46.4 -60.0 -50.4 4.3 61.8 23.8 23 25 A K H X S+ 0 0 42 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.843 109.5 55.5 -66.3 -29.7 1.2 60.5 25.5 24 26 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.941 108.2 47.3 -70.0 -43.3 -1.1 62.5 23.2 25 27 A V H X S+ 0 0 20 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.951 112.4 50.4 -62.4 -42.6 0.5 61.1 20.1 26 28 A E H X S+ 0 0 128 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.936 112.9 45.8 -60.7 -46.8 0.2 57.5 21.5 27 29 A A H X S+ 0 0 19 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.895 111.9 50.7 -63.7 -41.5 -3.5 58.0 22.4 28 30 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 3,-0.6 0.917 112.7 46.3 -66.0 -42.3 -4.4 59.6 19.0 29 31 A C H ><5S+ 0 0 59 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.914 110.1 53.0 -65.9 -36.0 -2.8 56.8 17.1 30 32 A A H 3<5S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.742 106.0 56.2 -68.2 -21.4 -4.5 54.2 19.3 31 33 A A T <<5S- 0 0 55 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.163 128.7 -97.5 -94.5 10.9 -7.7 55.9 18.4 32 34 A G T < 5S+ 0 0 70 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.461 82.6 127.2 89.7 2.8 -7.1 55.4 14.7 33 35 A H < - 0 0 53 -5,-2.5 2,-0.7 -6,-0.2 -1,-0.3 -0.598 62.3-124.6 -85.6 158.8 -5.7 58.8 13.8 34 36 A R + 0 0 113 54,-0.4 56,-2.7 -2,-0.2 2,-0.3 -0.905 48.7 159.9 -93.0 107.0 -2.4 59.3 12.0 35 37 A A E -c 90 0A 7 -2,-0.7 2,-0.3 54,-0.2 56,-0.2 -0.989 19.4-170.3-133.8 146.0 -0.5 61.6 14.4 36 38 A E E -c 91 0A 66 54,-2.1 56,-2.2 -2,-0.3 2,-0.4 -0.952 20.1-120.2-134.8 152.6 3.2 62.3 14.8 37 39 A L E +c 92 0A 53 -2,-0.3 2,-0.3 54,-0.2 56,-0.2 -0.791 29.0 171.2-100.1 138.4 5.4 64.1 17.3 38 40 A L E -c 93 0A 15 54,-2.8 56,-2.3 -2,-0.4 2,-0.3 -0.883 8.7-166.9-132.0 162.5 7.6 67.1 16.7 39 41 A R E -c 94 0A 92 -2,-0.3 56,-0.2 54,-0.2 57,-0.1 -0.984 17.6-107.4-148.3 158.8 9.5 69.4 19.1 40 42 A F S S+ 0 0 9 54,-2.4 2,-0.1 -2,-0.3 30,-0.0 -0.986 100.0 43.5-132.4 136.0 11.4 72.8 19.1 41 43 A P S S- 0 0 22 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 0.512 81.1-154.7 -69.8 150.8 14.2 73.2 19.3 42 44 A E > - 0 0 26 1,-0.1 3,-0.8 -2,-0.1 6,-0.1 -0.823 13.2-171.4 -92.3 98.7 14.8 70.4 16.8 43 45 A R T 3 + 0 0 84 -2,-1.1 9,-0.2 1,-0.2 -1,-0.1 0.488 64.8 75.9 -79.1 -2.6 18.3 69.6 18.0 44 46 A S T 3 S+ 0 0 78 4,-0.1 -1,-0.2 5,-0.1 2,-0.1 0.628 80.3 77.9 -84.3 -17.2 19.3 67.2 15.2 45 47 A T S <> S- 0 0 29 -3,-0.8 4,-2.4 1,-0.1 5,-0.2 -0.298 95.6-100.8 -87.7 175.3 20.0 69.7 12.4 46 48 A E H > S+ 0 0 171 2,-0.2 4,-1.5 1,-0.2 3,-0.2 0.945 128.8 42.9 -62.5 -44.8 23.1 71.9 12.0 47 49 A I H > S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.953 111.1 58.6 -65.5 -39.8 21.2 74.9 13.4 48 50 A G H > S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.860 103.8 49.8 -55.0 -42.3 19.8 72.5 16.1 49 51 A K H X S+ 0 0 129 -4,-2.4 4,-2.4 2,-0.2 -1,-0.3 0.863 107.7 53.3 -68.2 -38.2 23.3 71.6 17.3 50 52 A L H X S+ 0 0 98 -4,-1.5 4,-2.2 -3,-0.4 -2,-0.2 0.928 113.1 46.0 -57.3 -39.9 24.3 75.2 17.6 51 53 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.920 111.0 50.3 -67.5 -43.5 21.2 75.6 19.7 52 54 A S H X S+ 0 0 15 -4,-2.5 4,-2.3 2,-0.2 6,-0.2 0.922 110.3 50.6 -62.3 -45.1 21.8 72.6 21.9 53 55 A S H <>S+ 0 0 35 -4,-2.4 5,-2.4 2,-0.2 6,-1.0 0.936 110.5 50.0 -59.3 -44.9 25.4 73.7 22.6 54 56 A Y H ><5S+ 0 0 7 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.940 112.2 46.5 -57.1 -49.9 24.1 77.1 23.6 55 57 A L H 3<5S+ 0 0 10 -4,-2.6 93,-2.6 1,-0.3 -1,-0.2 0.822 109.3 54.4 -68.0 -27.9 21.5 75.6 26.0 56 58 A Q T 3<5S- 0 0 76 -4,-2.3 -1,-0.3 91,-0.2 -2,-0.2 0.450 113.2-122.0 -85.1 4.9 24.0 73.2 27.4 57 59 A K T < 5S+ 0 0 113 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.679 80.5 123.6 62.4 21.6 26.2 76.3 28.2 58 60 A K S - 0 0 111 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.304 37.6-119.9 -55.3 138.2 24.8 86.6 21.0 63 65 A D H > S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.744 108.4 45.3 -59.7 -38.3 21.2 87.0 22.1 64 66 A H H > S+ 0 0 75 2,-0.2 4,-2.3 3,-0.1 -1,-0.2 0.898 115.3 49.6 -70.5 -41.6 19.7 88.4 18.9 65 67 A S H > S+ 0 0 55 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.943 110.7 49.1 -58.6 -46.6 21.5 85.7 16.8 66 68 A V H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.935 109.6 53.0 -64.5 -39.4 20.4 83.0 19.2 67 69 A H H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.954 111.1 46.4 -57.0 -43.1 16.8 84.3 18.9 68 70 A L H X S+ 0 0 84 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.874 108.7 54.4 -70.8 -36.7 17.0 84.1 15.1 69 71 A L H X S+ 0 0 34 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.866 104.7 54.9 -63.0 -40.9 18.5 80.6 15.1 70 72 A F H X S+ 0 0 22 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.914 112.2 44.8 -57.7 -43.3 15.5 79.4 17.2 71 73 A S H >X S+ 0 0 3 -4,-2.0 4,-2.7 1,-0.2 3,-0.9 0.901 110.4 51.2 -65.7 -50.9 13.2 80.8 14.5 72 74 A A H 3X S+ 0 0 34 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.869 102.5 63.1 -52.6 -36.7 15.2 79.4 11.5 73 75 A N H 3< S+ 0 0 0 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.798 107.8 42.7 -63.1 -23.7 15.1 76.0 13.3 74 76 A R H XX S+ 0 0 5 -3,-0.9 3,-1.8 -4,-0.7 4,-0.6 0.921 111.4 53.2 -83.9 -48.2 11.3 76.2 12.9 75 77 A W H >< S+ 0 0 97 -4,-2.7 3,-1.2 1,-0.3 -2,-0.2 0.821 100.5 62.2 -60.6 -30.7 11.4 77.5 9.3 76 78 A E T 3< S+ 0 0 74 -4,-2.6 -1,-0.3 1,-0.3 4,-0.3 0.738 106.6 45.2 -67.9 -16.6 13.6 74.6 8.3 77 79 A Q T <> S+ 0 0 37 -3,-1.8 4,-2.6 -4,-0.3 -1,-0.3 0.476 87.3 94.9-101.6 -1.7 10.8 72.1 9.2 78 80 A V H S+ 0 0 90 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.959 114.3 45.5 -55.7 -41.1 8.0 72.2 4.2 80 82 A L H > S+ 0 0 58 -4,-0.3 4,-3.4 1,-0.2 5,-0.2 0.926 111.6 51.1 -64.8 -50.1 7.7 68.9 6.2 81 83 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.929 113.8 44.5 -53.0 -48.3 5.0 70.2 8.5 82 84 A K H X S+ 0 0 116 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.957 113.2 50.7 -64.3 -49.0 2.9 71.4 5.5 83 85 A E H X S+ 0 0 108 -4,-2.8 4,-1.4 -5,-0.2 -2,-0.2 0.932 113.8 45.1 -50.2 -53.6 3.5 68.2 3.6 84 86 A K H <>S+ 0 0 37 -4,-3.4 5,-2.4 -5,-0.2 4,-0.4 0.937 112.2 49.1 -61.5 -48.8 2.4 66.1 6.6 85 87 A L H ><5S+ 0 0 2 -4,-2.6 3,-2.2 -5,-0.2 -81,-2.1 0.957 110.6 51.5 -57.0 -41.8 -0.6 68.1 7.5 86 88 A S H 3<5S+ 0 0 73 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.803 104.8 57.6 -70.6 -22.5 -1.9 68.0 3.8 87 89 A Q T 3<5S- 0 0 90 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.527 127.1-100.5 -79.8 -11.2 -1.4 64.3 3.8 88 90 A G T < 5S+ 0 0 24 -3,-2.2 2,-0.4 -4,-0.4 -54,-0.4 0.466 76.9 138.0 104.5 2.3 -3.8 64.0 6.8 89 91 A V < - 0 0 0 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.3 -0.699 46.5-140.4 -84.4 134.6 -1.3 63.6 9.6 90 92 A T E - c 0 35A 2 -56,-2.7 -54,-2.1 -2,-0.4 2,-0.5 -0.760 17.0-148.4 -88.5 137.0 -2.0 65.5 12.8 91 93 A L E -ac 6 36A 0 -86,-2.5 -84,-3.2 -2,-0.4 2,-0.5 -0.943 8.0-160.9-111.8 133.6 1.2 67.0 14.3 92 94 A V E -ac 7 37A 0 -56,-2.2 -54,-2.8 -2,-0.5 2,-0.5 -0.928 16.7-161.4-110.1 117.1 1.7 67.4 18.0 93 95 A V E -ac 8 38A 0 -86,-3.0 -84,-2.9 -2,-0.5 2,-1.0 -0.948 16.9-146.4-119.4 123.5 4.5 69.9 18.7 94 96 A D E S-ac 9 39A 22 -56,-2.3 -54,-2.4 -2,-0.5 -84,-0.1 -0.792 79.8 -16.9 -88.6 94.0 6.3 70.3 22.0 95 97 A R S S+ 0 0 43 -86,-2.4 2,-0.2 -2,-1.0 -85,-0.1 0.421 71.8 173.7 83.8 149.3 7.0 74.0 22.0 96 98 A Y >> - 0 0 1 -57,-0.1 4,-1.6 -88,-0.1 3,-0.5 -0.636 56.3 -35.1-156.3-147.4 6.8 76.4 19.1 97 99 A A H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.755 125.0 64.6 -60.2 -31.2 7.0 80.2 18.3 98 100 A F H 3> S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.947 104.3 45.8 -59.8 -47.2 5.4 81.2 21.6 99 101 A S H <> S+ 0 0 9 -3,-0.5 4,-3.2 1,-0.2 5,-0.4 0.920 108.9 58.7 -61.7 -36.1 8.3 79.7 23.6 100 102 A G H X S+ 0 0 8 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.909 113.6 36.4 -59.7 -42.9 10.6 81.5 21.1 101 103 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.894 116.9 52.0 -77.7 -42.7 9.0 84.9 22.0 102 104 A A H X S+ 0 0 0 -4,-2.8 4,-0.6 -5,-0.2 59,-0.2 0.892 112.1 44.1 -64.8 -41.2 8.6 84.2 25.7 103 105 A Y H >< S+ 0 0 18 -4,-3.2 3,-0.6 -5,-0.2 -1,-0.2 0.930 119.6 39.6 -75.5 -41.7 12.1 83.1 26.4 104 106 A T H >< S+ 0 0 2 -4,-1.3 3,-2.2 -5,-0.4 -2,-0.2 0.928 111.0 61.2 -68.9 -37.5 13.9 85.9 24.4 105 107 A G H 3< S+ 0 0 15 -4,-2.8 5,-0.3 1,-0.3 -1,-0.2 0.694 92.3 66.9 -61.2 -17.3 11.3 88.3 25.7 106 108 A A T << S+ 0 0 4 -4,-0.6 2,-0.4 -3,-0.6 -1,-0.3 0.407 85.3 86.0 -79.0 -7.3 12.5 87.5 29.3 107 109 A K S X S- 0 0 23 -3,-2.2 3,-1.0 3,-0.1 -3,-0.0 -0.850 95.5 -99.0 -94.0 142.6 15.8 89.2 28.4 108 110 A E T 3 S+ 0 0 126 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.264 101.7 18.8 -63.9 144.6 15.9 92.9 29.0 109 111 A N T 3 S+ 0 0 156 1,-0.2 2,-0.6 -4,-0.1 -1,-0.2 0.698 88.2 120.0 72.8 22.7 15.4 95.2 26.0 110 112 A F < - 0 0 23 -3,-1.0 -1,-0.2 -5,-0.3 -3,-0.1 -0.928 54.8-146.6-115.2 106.3 13.8 92.6 23.7 111 113 A S > - 0 0 64 -2,-0.6 4,-2.3 1,-0.1 5,-0.2 -0.389 18.4-125.1 -71.7 150.7 10.3 93.8 22.7 112 114 A L H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.902 112.4 55.2 -58.1 -41.2 7.5 91.3 22.2 113 115 A D H > S+ 0 0 102 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.934 108.3 44.1 -57.4 -55.5 7.1 92.9 18.7 114 116 A W H 4 S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.870 112.8 54.4 -55.4 -42.3 10.7 92.4 17.6 115 117 A C H < S+ 0 0 0 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.887 107.1 50.5 -63.5 -37.7 10.7 88.8 19.0 116 118 A K H >X S+ 0 0 51 -4,-2.1 3,-1.3 -3,-0.2 4,-0.7 0.818 91.5 79.7 -66.2 -34.1 7.6 87.9 17.0 117 119 A Q G >< S+ 0 0 88 -4,-1.4 3,-1.3 1,-0.3 -1,-0.2 0.771 85.3 52.9 -51.9 -47.7 8.8 89.0 13.6 118 120 A P G 34 S+ 0 0 34 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.844 112.4 48.5 -59.2 -30.0 11.0 86.2 12.5 119 121 A D G X4 S+ 0 0 0 -3,-1.3 3,-2.3 -4,-0.4 -2,-0.2 0.540 79.7 121.8 -88.7 -9.1 8.2 83.7 13.1 120 122 A V T << S+ 0 0 54 -3,-1.3 89,-0.2 -4,-0.7 88,-0.0 -0.345 76.7 26.3 -53.5 129.0 5.5 85.8 11.3 121 123 A G T 3 S+ 0 0 16 87,-3.0 -1,-0.3 1,-0.3 3,-0.1 0.286 84.6 135.0 97.0 -10.7 4.2 83.5 8.5 122 124 A L S < S- 0 0 0 -3,-2.3 86,-3.6 86,-0.2 -1,-0.3 -0.251 75.2 -72.8 -60.8 162.2 4.8 80.1 10.1 123 125 A P B -E 207 0B 5 0, 0.0 84,-0.2 0, 0.0 -1,-0.2 -0.269 55.9-124.3 -54.0 130.4 2.0 77.5 9.9 124 126 A K - 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