==== 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 1E9B . 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) . 9883.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 75.0 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 . 17 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 38.9 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 0 2 0 0 0 2 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 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 0 220 0, 0.0 199,-0.1 0, 0.0 200,-0.1 0.000 360.0 360.0 360.0 112.0 -8.8 64.9 5.1 2 5 A R - 0 0 36 197,-0.2 83,-0.2 198,-0.2 82,-0.1 -0.298 360.0-116.0 -73.6 161.4 -5.9 66.7 6.7 3 6 A G - 0 0 3 81,-2.4 2,-0.3 85,-0.3 86,-0.2 -0.288 32.7-108.2 -79.6 171.2 -4.4 65.9 10.1 4 7 A A - 0 0 0 83,-0.2 86,-2.7 -2,-0.0 2,-0.6 -0.726 16.1-135.3 -98.3 154.7 -4.5 68.4 13.0 5 8 A L E -a 90 0A 0 -2,-0.3 120,-3.0 118,-0.2 121,-1.3 -0.933 28.8-177.6-110.3 110.8 -1.5 70.3 14.3 6 9 A I E -ab 91 126A 0 84,-3.2 86,-3.1 -2,-0.6 2,-0.4 -0.969 6.4-164.4-116.0 123.5 -1.6 70.1 18.1 7 10 A V E -ab 92 127A 0 119,-2.7 121,-3.2 -2,-0.5 2,-0.5 -0.890 7.6-154.6-109.3 140.7 0.9 71.9 20.3 8 11 A L E +ab 93 128A 0 84,-3.1 86,-2.7 -2,-0.4 2,-0.3 -0.956 23.0 163.3-110.6 125.0 1.6 71.3 23.9 9 12 A E E + b 0 129A 0 119,-3.2 121,-2.6 -2,-0.5 2,-0.3 -0.810 12.8 128.7-124.5 168.2 3.1 74.2 25.9 10 13 A G E - b 0 130A 3 119,-0.3 121,-0.2 -2,-0.3 3,-0.1 -0.899 50.0 -53.7 159.5 169.3 3.3 74.7 29.6 11 14 A V S > S- 0 0 24 119,-1.9 3,-2.5 -2,-0.3 4,-0.3 -0.123 74.1 -63.5 -70.4 170.3 5.2 75.4 32.8 12 15 A D T 3 S- 0 0 25 1,-0.3 -1,-0.2 2,-0.1 131,-0.0 -0.255 120.6 -3.6 -54.5 127.6 8.4 73.7 34.0 13 16 A R T 3 S+ 0 0 57 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.619 89.0 131.6 62.7 19.2 7.7 70.1 34.8 14 17 A A S < S- 0 0 2 -3,-2.5 -2,-0.1 116,-0.1 -1,-0.1 0.755 83.8 -98.8 -74.1 -17.7 4.0 70.4 34.0 15 18 A G S > S+ 0 0 16 -4,-0.3 4,-3.0 115,-0.1 5,-0.3 0.616 71.3 147.0 110.0 28.3 4.3 67.3 31.9 16 19 A K H > S+ 0 0 12 -5,-0.3 4,-2.2 1,-0.2 5,-0.2 0.924 80.3 40.4 -58.6 -45.7 4.6 68.5 28.2 17 20 A S H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.943 116.4 48.2 -74.5 -43.3 6.8 65.6 27.2 18 21 A T H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.921 116.2 44.6 -60.3 -46.5 5.0 62.9 29.1 19 22 A Q H X S+ 0 0 5 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.855 110.1 54.0 -69.8 -32.1 1.6 64.1 27.8 20 23 A S H X S+ 0 0 1 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.935 111.9 45.4 -68.1 -41.1 2.8 64.5 24.2 21 24 A R H X S+ 0 0 132 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.932 115.1 46.7 -64.0 -45.9 4.1 60.9 24.2 22 25 A K H X S+ 0 0 39 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.831 110.6 54.0 -65.3 -36.1 0.9 59.6 25.8 23 26 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.930 108.9 46.5 -64.1 -47.6 -1.3 61.6 23.5 24 27 A V H X S+ 0 0 19 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.949 113.4 50.8 -58.1 -45.9 0.3 60.2 20.3 25 28 A E H X S+ 0 0 131 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.912 112.7 45.1 -56.0 -49.3 0.2 56.7 21.7 26 29 A A H X S+ 0 0 19 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.879 111.6 51.8 -66.4 -39.5 -3.5 57.0 22.6 27 30 A L H ><>S+ 0 0 0 -4,-3.1 5,-2.5 2,-0.2 3,-0.5 0.928 111.9 46.2 -62.3 -43.9 -4.4 58.6 19.3 28 31 A C H ><5S+ 0 0 60 -4,-2.4 3,-1.6 -5,-0.3 -1,-0.2 0.895 108.7 55.8 -64.7 -35.0 -2.8 55.8 17.3 29 32 A A H 3<5S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.725 106.1 53.3 -68.2 -21.4 -4.4 53.2 19.5 30 33 A A T <<5S- 0 0 58 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.125 128.3 -95.1-100.6 16.5 -7.7 54.8 18.6 31 34 A G T < 5S+ 0 0 69 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.481 82.1 130.1 89.8 -1.5 -7.1 54.5 14.8 32 35 A H < - 0 0 46 -5,-2.5 2,-0.7 -6,-0.2 -1,-0.3 -0.517 60.5-126.7 -80.7 156.7 -5.7 57.9 14.1 33 36 A R + 0 0 143 54,-0.4 56,-2.9 -2,-0.2 2,-0.3 -0.938 50.0 156.2 -95.3 110.1 -2.5 58.4 12.2 34 37 A A E -c 89 0A 7 -2,-0.7 2,-0.3 54,-0.2 56,-0.2 -0.990 21.5-171.6-140.5 147.5 -0.6 60.7 14.6 35 38 A E E -c 90 0A 73 54,-2.3 56,-2.5 -2,-0.3 2,-0.4 -0.958 21.5-118.8-141.3 151.0 3.1 61.3 15.1 36 39 A L E +c 91 0A 52 -2,-0.3 2,-0.3 54,-0.2 56,-0.2 -0.763 27.9 174.6 -93.9 138.2 5.2 63.2 17.7 37 40 A L E -c 92 0A 15 54,-2.8 56,-2.4 -2,-0.4 2,-0.3 -0.879 7.9-166.9-129.8 161.2 7.4 66.2 17.0 38 41 A R E -c 93 0A 84 -2,-0.3 56,-0.2 54,-0.2 57,-0.1 -0.990 17.8-109.6-147.9 149.2 9.3 68.3 19.5 39 42 A F S S+ 0 0 8 54,-2.5 2,-0.2 -2,-0.3 30,-0.0 -0.990 100.1 43.0-127.1 140.5 11.1 71.6 19.4 40 43 A P S S- 0 0 18 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 0.541 80.9-156.4 -68.1 149.8 13.9 72.2 19.6 41 44 A E > - 0 0 27 -2,-0.2 3,-0.8 1,-0.1 9,-0.1 -0.854 11.4-169.4 -93.4 97.8 14.5 69.3 17.2 42 45 A R T 3 + 0 0 85 -2,-1.0 9,-0.2 1,-0.2 -1,-0.1 0.490 65.6 77.8 -77.8 1.9 18.1 68.6 18.3 43 46 A S T 3 S+ 0 0 76 4,-0.1 -1,-0.2 5,-0.1 2,-0.0 0.696 78.2 76.9 -83.4 -26.0 19.0 66.2 15.5 44 47 A T S <> S- 0 0 28 -3,-0.8 4,-2.5 1,-0.1 5,-0.2 -0.250 97.2 -98.1 -78.6 175.2 19.6 68.7 12.7 45 48 A E H > S+ 0 0 169 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.955 129.1 42.2 -56.8 -47.1 22.7 70.9 12.2 46 49 A I H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.931 110.0 58.5 -65.5 -39.3 20.8 73.8 13.8 47 50 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.903 102.9 52.9 -58.2 -40.0 19.4 71.5 16.4 48 51 A K H X S+ 0 0 132 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.901 106.6 52.3 -63.7 -37.0 22.9 70.5 17.6 49 52 A L H X S+ 0 0 95 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.920 112.3 47.0 -61.3 -43.1 23.9 74.2 18.0 50 53 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.901 110.1 51.7 -66.8 -40.3 20.8 74.6 20.1 51 54 A S H X S+ 0 0 17 -4,-2.6 4,-2.0 2,-0.2 6,-0.2 0.944 108.8 50.9 -63.9 -44.3 21.4 71.5 22.2 52 55 A S H <>S+ 0 0 34 -4,-2.6 5,-2.6 1,-0.2 6,-1.0 0.938 111.6 48.8 -57.3 -42.8 25.0 72.7 22.9 53 56 A Y H ><5S+ 0 0 7 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.920 110.2 48.9 -61.1 -48.4 23.7 76.0 24.0 54 57 A L H 3<5S+ 0 0 12 -4,-2.5 93,-3.1 1,-0.3 -1,-0.2 0.802 110.1 52.0 -64.7 -30.9 21.0 74.7 26.3 55 58 A Q T 3<5S- 0 0 71 -4,-2.0 -1,-0.3 91,-0.2 -2,-0.2 0.338 114.4-119.6 -81.8 -1.0 23.5 72.3 28.0 56 59 A K T < 5S+ 0 0 125 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.773 80.8 124.7 66.1 23.9 25.7 75.3 28.6 57 60 A K S - 0 0 109 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.351 38.4-120.4 -54.5 135.6 24.4 85.6 21.3 62 65 A D H > S+ 0 0 61 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.786 109.7 44.3 -56.2 -39.6 20.7 86.0 22.4 63 66 A H H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 114.0 50.7 -69.9 -48.6 19.3 87.2 19.1 64 67 A S H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.942 111.0 48.7 -51.9 -48.6 21.2 84.6 17.1 65 68 A V H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.905 108.8 53.6 -64.3 -37.0 20.0 81.8 19.4 66 69 A H H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.920 110.6 46.4 -58.9 -46.4 16.4 83.1 19.1 67 70 A L H X S+ 0 0 82 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.884 109.9 54.1 -68.9 -33.1 16.6 83.0 15.3 68 71 A L H X S+ 0 0 36 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.925 105.9 52.7 -65.6 -40.7 18.2 79.5 15.4 69 72 A F H X S+ 0 0 20 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.926 113.6 44.1 -59.9 -39.5 15.2 78.3 17.5 70 73 A S H >X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 3,-0.8 0.932 110.9 52.4 -70.7 -44.6 12.9 79.7 14.8 71 74 A A H 3X S+ 0 0 34 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.877 102.2 62.0 -56.1 -35.7 14.9 78.3 11.9 72 75 A N H 3< S+ 0 0 0 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.808 107.0 44.6 -63.9 -26.8 14.7 74.9 13.6 73 76 A R H X< S+ 0 0 5 -4,-0.9 3,-1.5 -3,-0.8 4,-0.3 0.931 111.2 52.4 -78.6 -47.5 11.0 75.1 13.2 74 77 A W H >< S+ 0 0 94 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.842 100.8 60.2 -57.7 -36.6 11.1 76.3 9.6 75 78 A E T 3< S+ 0 0 72 -4,-2.4 4,-0.3 1,-0.3 -1,-0.3 0.751 106.7 48.7 -67.7 -15.8 13.3 73.5 8.5 76 79 A Q T <> S+ 0 0 33 -3,-1.5 4,-2.5 -4,-0.3 -1,-0.3 0.412 86.2 92.7 -97.4 -0.0 10.6 71.1 9.6 77 80 A V H <> S+ 0 0 9 -3,-1.8 4,-3.2 -4,-0.3 5,-0.3 0.923 80.8 53.0 -65.4 -40.2 7.8 73.0 7.8 78 81 A P H > S+ 0 0 92 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.960 114.3 44.7 -58.4 -43.2 7.9 71.0 4.5 79 82 A L H > S+ 0 0 64 -4,-0.3 4,-3.3 2,-0.2 5,-0.2 0.889 112.8 50.7 -63.3 -48.9 7.6 67.8 6.6 80 83 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.939 113.8 44.7 -56.3 -48.0 4.9 69.3 8.8 81 84 A K H X S+ 0 0 116 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.907 113.9 49.6 -66.0 -39.9 2.9 70.3 5.7 82 85 A E H X S+ 0 0 110 -4,-2.6 4,-1.4 -5,-0.3 -2,-0.2 0.958 113.5 45.5 -62.8 -50.8 3.4 67.0 3.9 83 86 A K H <>S+ 0 0 44 -4,-3.3 5,-2.6 1,-0.2 3,-0.4 0.911 113.9 47.4 -59.4 -46.5 2.4 65.0 6.9 84 87 A L H ><5S+ 0 0 3 -4,-2.5 -81,-2.4 1,-0.3 3,-2.0 0.937 110.6 52.7 -61.4 -42.2 -0.7 67.1 7.7 85 88 A S H 3<5S+ 0 0 86 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.751 105.1 56.2 -66.0 -22.8 -1.7 67.0 4.0 86 89 A Q T 3<5S- 0 0 93 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.380 126.2-101.7 -86.0 1.7 -1.4 63.2 4.1 87 90 A G T < 5S+ 0 0 20 -3,-2.0 2,-0.5 1,-0.3 -54,-0.4 0.564 76.1 141.2 90.4 12.0 -3.9 63.1 7.0 88 91 A V < - 0 0 2 -5,-2.6 -85,-0.3 -6,-0.2 2,-0.3 -0.787 45.6-140.0 -89.8 124.6 -1.3 62.6 9.8 89 92 A T E - c 0 34A 2 -56,-2.9 -54,-2.3 -2,-0.5 2,-0.5 -0.650 16.4-147.7 -79.8 136.9 -2.0 64.5 13.0 90 93 A L E -ac 5 35A 2 -86,-2.7 -84,-3.2 -2,-0.3 2,-0.5 -0.944 8.7-161.6-113.7 127.9 1.1 66.0 14.5 91 94 A V E -ac 6 36A 0 -56,-2.5 -54,-2.8 -2,-0.5 2,-0.5 -0.946 16.6-161.4-103.6 121.4 1.5 66.4 18.3 92 95 A V E -ac 7 37A 0 -86,-3.1 -84,-3.1 -2,-0.5 2,-1.0 -0.928 16.5-146.3-120.5 120.3 4.3 68.9 19.0 93 96 A D E S-ac 8 38A 17 -56,-2.4 -54,-2.5 -2,-0.5 -84,-0.1 -0.813 80.1 -16.9 -83.7 100.9 6.1 69.3 22.3 94 97 A R S S+ 0 0 54 -86,-2.7 2,-0.2 -2,-1.0 -85,-0.1 0.495 73.6 177.2 73.2 147.6 6.8 73.0 22.4 95 98 A Y >> - 0 0 1 -57,-0.1 4,-1.5 -88,-0.1 3,-0.6 -0.583 55.5 -37.0-151.6-146.0 6.6 75.3 19.5 96 99 A A H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.737 125.0 66.6 -63.7 -23.4 6.9 79.0 18.6 97 100 A F H 3> S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.920 102.9 44.3 -66.3 -44.6 5.2 80.0 21.9 98 101 A S H <> S+ 0 0 11 -3,-0.6 4,-2.6 1,-0.2 5,-0.4 0.885 110.0 59.5 -62.1 -35.3 8.1 78.7 23.9 99 102 A G H X S+ 0 0 8 -4,-1.5 4,-1.5 1,-0.2 5,-0.3 0.917 113.3 35.9 -56.1 -49.2 10.4 80.4 21.4 100 103 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.902 116.8 52.6 -72.4 -43.6 8.8 83.7 22.2 101 104 A A H X S+ 0 0 0 -4,-3.0 4,-0.5 -5,-0.2 59,-0.2 0.890 111.8 43.4 -64.1 -38.6 8.4 83.2 25.9 102 105 A F H >< S+ 0 0 19 -4,-2.6 3,-0.5 2,-0.2 -1,-0.2 0.914 120.0 39.7 -76.3 -44.5 11.9 82.1 26.7 103 106 A T H >< S+ 0 0 2 -4,-1.5 3,-2.4 -5,-0.4 -2,-0.2 0.911 113.6 56.9 -68.9 -38.2 13.7 84.8 24.6 104 107 A G H 3< S+ 0 0 12 -4,-2.6 5,-0.3 1,-0.3 -1,-0.2 0.666 95.2 65.8 -65.4 -13.6 11.1 87.3 25.8 105 108 A A T << S+ 0 0 3 -4,-0.5 -1,-0.3 -3,-0.5 2,-0.2 0.521 88.1 88.6 -78.8 -13.1 12.0 86.6 29.4 106 109 A K S X S- 0 0 21 -3,-2.4 3,-0.9 -4,-0.2 2,-0.1 -0.557 95.4 -88.9 -82.4 158.1 15.4 88.1 28.7 107 110 A E T 3 S+ 0 0 127 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.352 105.5 11.3 -69.6 142.0 16.0 91.8 29.1 108 111 A N T 3 S+ 0 0 159 1,-0.2 2,-0.5 -4,-0.1 -1,-0.2 0.807 89.1 124.2 63.5 35.2 15.3 94.1 26.2 109 112 A F < - 0 0 20 -3,-0.9 -1,-0.2 -5,-0.3 2,-0.1 -0.941 49.9-149.8-122.2 105.9 13.5 91.5 24.0 110 113 A S > - 0 0 66 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.441 19.8-124.7 -73.3 153.8 10.1 92.7 23.0 111 114 A L H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 111.6 56.2 -62.5 -38.8 7.3 90.2 22.4 112 115 A D H > S+ 0 0 104 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.930 108.2 44.8 -58.2 -52.7 6.9 91.7 18.9 113 116 A W H 4 S+ 0 0 92 1,-0.2 3,-0.2 2,-0.2 -1,-0.2 0.909 112.8 53.2 -58.4 -42.2 10.5 91.2 17.8 114 117 A C H < S+ 0 0 0 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.866 108.9 49.1 -63.7 -34.9 10.5 87.7 19.3 115 118 A K H >X S+ 0 0 48 -4,-2.3 3,-1.1 -5,-0.2 4,-0.6 0.827 91.2 79.8 -72.4 -31.9 7.4 86.7 17.3 116 119 A Q G >< S+ 0 0 87 -4,-1.4 3,-1.5 1,-0.3 -1,-0.2 0.808 85.0 54.5 -54.3 -43.7 8.4 87.8 13.9 117 120 A P G 34 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.873 111.3 49.0 -59.3 -32.1 10.7 85.0 12.8 118 121 A D G X4 S+ 0 0 0 -3,-1.1 3,-2.1 -4,-0.4 -2,-0.2 0.514 80.6 121.3 -87.2 -2.7 7.9 82.6 13.4 119 122 A V T << S+ 0 0 52 -3,-1.5 89,-0.2 -4,-0.6 -3,-0.0 -0.408 76.9 24.2 -63.1 130.1 5.2 84.5 11.6 120 123 A G T 3 S+ 0 0 19 87,-3.0 -1,-0.3 1,-0.3 3,-0.1 0.336 86.1 137.0 98.6 -8.7 3.8 82.4 8.8 121 124 A L S < S- 0 0 0 -3,-2.1 86,-3.6 86,-0.3 -1,-0.3 -0.292 75.3 -71.8 -64.3 159.6 4.6 79.0 10.4 122 125 A P B -E 206 0B 3 0, 0.0 84,-0.2 0, 0.0 -1,-0.2 -0.222 58.5-124.5 -48.9 127.5 1.9 76.3 10.2 123 126 A K - 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