==== 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 1E9C . 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) . 9874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 73.7 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 7.7 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 . 80 38.3 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 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 4 A R 0 0 219 0, 0.0 199,-0.1 0, 0.0 200,-0.1 0.000 360.0 360.0 360.0 108.3 -8.9 65.9 4.8 2 5 A R - 0 0 35 198,-0.2 83,-0.2 197,-0.2 82,-0.1 -0.306 360.0-116.9 -71.9 159.8 -5.9 67.7 6.4 3 6 A G - 0 0 3 81,-2.3 2,-0.3 85,-0.4 86,-0.2 -0.305 33.1-104.0 -79.9 171.7 -4.5 66.8 9.8 4 7 A A - 0 0 0 83,-0.2 86,-2.6 -2,-0.1 2,-0.7 -0.770 16.2-135.0 -98.2 152.2 -4.5 69.2 12.7 5 8 A L E -a 90 0A 0 -2,-0.3 120,-2.7 118,-0.2 121,-1.3 -0.930 29.4-177.0-107.4 109.3 -1.5 71.2 14.0 6 9 A I E -ab 91 126A 0 84,-3.0 86,-3.1 -2,-0.7 2,-0.4 -0.957 5.2-167.0-110.9 123.7 -1.6 70.9 17.8 7 10 A V E -ab 92 127A 0 119,-2.7 121,-2.8 -2,-0.5 2,-0.5 -0.921 9.2-155.7-112.1 139.0 1.0 72.7 20.0 8 11 A L E +ab 93 128A 0 84,-3.0 86,-2.1 -2,-0.4 2,-0.3 -0.926 22.9 172.5-106.3 135.2 1.7 72.2 23.7 9 12 A E E + b 0 129A 0 119,-3.0 121,-2.5 -2,-0.5 2,-0.2 -0.837 13.1 116.5-134.9 165.8 3.2 75.2 25.5 10 13 A G - 0 0 0 -2,-0.3 3,-0.1 119,-0.2 121,-0.1 -0.742 57.6 -66.8 154.5 169.7 4.0 76.0 29.2 11 14 A V S > S- 0 0 2 119,-0.4 3,-1.8 -2,-0.2 5,-0.3 0.001 76.7 -51.4 -74.8-179.3 6.9 76.8 31.5 12 15 A D T 3 S+ 0 0 14 1,-0.3 -1,-0.2 136,-0.1 136,-0.0 -0.220 125.0 6.2 -53.3 130.5 9.7 74.4 32.6 13 16 A R T 3 S+ 0 0 46 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.634 82.7 133.6 69.8 15.5 8.4 71.1 33.9 14 17 A A S < S- 0 0 1 -3,-1.8 -2,-0.1 1,-0.1 -1,-0.1 0.619 81.6-103.2 -69.4 -17.5 4.8 71.8 33.1 15 18 A G S > S+ 0 0 19 -4,-0.2 4,-2.5 -5,-0.1 5,-0.3 0.538 75.5 139.5 108.1 9.6 4.6 68.3 31.6 16 19 A K H > S+ 0 0 11 -5,-0.3 4,-2.6 1,-0.2 5,-0.2 0.928 73.1 43.8 -54.7 -48.3 4.7 69.2 27.8 17 20 A S H > S+ 0 0 51 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.919 115.2 48.2 -68.3 -44.9 7.0 66.3 26.7 18 21 A T H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.956 116.3 44.0 -57.5 -49.4 5.1 63.7 28.8 19 22 A Q H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.891 111.2 53.3 -70.9 -32.7 1.8 64.9 27.5 20 23 A S H X S+ 0 0 1 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.901 111.0 46.8 -66.2 -42.6 2.9 65.2 23.9 21 24 A R H X S+ 0 0 134 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.942 115.3 45.6 -62.1 -49.9 4.2 61.6 23.9 22 25 A K H X S+ 0 0 43 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.860 109.5 55.7 -61.2 -41.6 1.0 60.3 25.5 23 26 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.959 108.8 46.4 -62.5 -42.6 -1.2 62.3 23.2 24 27 A V H X S+ 0 0 21 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.925 111.7 51.9 -64.7 -42.4 0.3 60.9 20.0 25 28 A E H X S+ 0 0 133 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.943 112.2 46.6 -55.5 -48.7 0.1 57.3 21.5 26 29 A A H X S+ 0 0 21 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.928 112.2 48.2 -62.4 -44.4 -3.6 57.8 22.2 27 30 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 3,-0.7 0.949 112.5 49.2 -63.7 -42.5 -4.5 59.3 18.8 28 31 A C H ><5S+ 0 0 60 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.911 110.7 50.6 -63.5 -43.0 -2.7 56.5 17.0 29 32 A A H 3<5S+ 0 0 91 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.731 106.2 55.9 -67.1 -22.4 -4.5 54.0 19.1 30 33 A A T <<5S- 0 0 58 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.098 128.1 -99.2 -92.5 14.2 -7.8 55.6 18.3 31 34 A G T < 5S+ 0 0 72 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.493 80.0 134.8 81.1 12.9 -7.0 55.2 14.6 32 35 A H < - 0 0 47 -5,-2.6 2,-0.8 -6,-0.2 -1,-0.3 -0.593 60.3-124.0 -84.8 149.6 -5.7 58.7 13.9 33 36 A R + 0 0 111 54,-0.4 56,-2.6 -2,-0.2 2,-0.4 -0.869 51.0 160.3 -85.4 106.3 -2.6 59.2 11.8 34 37 A A E -c 89 0A 8 -2,-0.8 2,-0.3 54,-0.2 56,-0.2 -0.995 20.7-171.3-135.0 144.8 -0.6 61.4 14.4 35 38 A E E -c 90 0A 57 54,-2.3 56,-2.5 -2,-0.4 2,-0.4 -0.966 20.3-122.7-132.9 154.2 3.1 62.1 14.7 36 39 A L E +c 91 0A 57 -2,-0.3 2,-0.3 54,-0.2 56,-0.2 -0.762 29.0 171.0-100.9 129.5 5.2 63.9 17.3 37 40 A L E -c 92 0A 18 54,-3.0 56,-2.7 -2,-0.4 2,-0.3 -0.851 8.8-167.1-125.6 163.1 7.5 66.9 16.7 38 41 A R E -c 93 0A 87 -2,-0.3 56,-0.2 54,-0.2 57,-0.1 -0.998 17.8-107.4-146.9 155.7 9.4 69.2 19.1 39 42 A F S S+ 0 0 7 54,-2.6 2,-0.1 -2,-0.3 59,-0.0 -0.997 99.5 40.8-133.3 137.6 11.2 72.5 19.2 40 43 A P S S- 0 0 21 0, 0.0 2,-1.1 0, 0.0 -1,-0.2 0.489 80.4-155.3 -70.1 146.7 14.0 73.0 19.3 41 44 A E > - 0 0 31 1,-0.1 3,-0.9 -2,-0.1 6,-0.2 -0.816 11.0-169.2 -88.7 100.3 14.7 70.2 16.9 42 45 A R T 3 + 0 0 82 -2,-1.1 -1,-0.1 1,-0.2 9,-0.1 0.421 66.4 77.3 -80.7 8.3 18.2 69.5 18.0 43 46 A S T 3 S+ 0 0 74 4,-0.1 -1,-0.2 5,-0.1 2,-0.1 0.664 77.9 76.8 -88.4 -24.6 19.2 67.1 15.2 44 47 A T S <> S- 0 0 29 -3,-0.9 4,-2.2 1,-0.1 5,-0.2 -0.281 97.7 -98.5 -79.7 177.4 19.8 69.6 12.4 45 48 A E H > S+ 0 0 167 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.909 128.2 44.7 -61.0 -44.0 22.9 71.8 12.1 46 49 A I H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.919 110.0 55.3 -64.9 -47.5 21.0 74.7 13.6 47 50 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.878 103.9 55.0 -54.7 -36.7 19.6 72.5 16.3 48 51 A K H X S+ 0 0 117 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.910 106.8 49.8 -65.1 -37.1 23.1 71.4 17.3 49 52 A L H X S+ 0 0 94 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.907 113.3 47.7 -63.8 -39.2 24.1 75.1 17.8 50 53 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.909 110.2 51.2 -69.2 -40.4 21.0 75.5 19.9 51 54 A S H X S+ 0 0 17 -4,-2.6 4,-1.9 -5,-0.2 6,-0.2 0.952 110.3 48.7 -63.0 -44.2 21.7 72.4 22.0 52 55 A S H <>S+ 0 0 36 -4,-2.6 5,-2.2 1,-0.2 6,-1.0 0.947 112.2 49.6 -63.5 -40.0 25.2 73.5 22.7 53 56 A Y H ><5S+ 0 0 6 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.948 112.1 47.4 -61.4 -44.8 23.9 77.0 23.7 54 57 A L H 3<5S+ 0 0 12 -4,-3.0 93,-2.7 1,-0.3 -1,-0.2 0.797 108.9 53.4 -67.2 -31.1 21.3 75.5 26.0 55 58 A Q T 3<5S- 0 0 70 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.308 113.8-119.5 -84.6 6.0 23.8 73.1 27.6 56 59 A K T < 5S+ 0 0 112 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.718 81.9 122.8 59.2 26.4 26.0 76.1 28.3 57 60 A K S - 0 0 111 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.298 38.4-121.6 -53.0 134.8 24.6 86.5 21.2 62 65 A D H > S+ 0 0 62 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.805 108.6 45.8 -59.8 -39.0 20.9 86.9 22.3 63 66 A H H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 114.1 50.7 -69.1 -40.9 19.5 88.2 19.0 64 67 A S H > S+ 0 0 52 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.946 109.8 48.9 -60.0 -44.9 21.4 85.6 17.1 65 68 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.924 109.3 53.5 -67.8 -33.5 20.1 82.7 19.3 66 69 A H H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.943 110.1 46.5 -60.8 -45.5 16.6 84.0 18.9 67 70 A L H X S+ 0 0 83 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.892 109.9 54.8 -67.3 -33.2 16.8 84.0 15.1 68 71 A L H X S+ 0 0 34 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.940 105.4 52.8 -64.5 -41.4 18.3 80.5 15.2 69 72 A F H X S+ 0 0 21 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.905 113.6 43.2 -57.1 -49.9 15.3 79.2 17.2 70 73 A S H >X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 3,-1.5 0.931 111.3 53.3 -65.2 -41.4 13.0 80.6 14.6 71 74 A A H 3X S+ 0 0 37 -4,-3.0 4,-2.4 1,-0.3 -2,-0.2 0.862 101.6 62.5 -58.8 -34.9 15.1 79.3 11.7 72 75 A N H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.766 107.7 42.2 -63.6 -24.1 14.9 75.9 13.4 73 76 A R H X< S+ 0 0 5 -3,-1.5 3,-1.7 -4,-0.6 4,-0.4 0.900 110.3 55.4 -85.3 -48.6 11.1 76.0 12.9 74 77 A W H >< S+ 0 0 94 -4,-2.4 3,-1.8 1,-0.3 -2,-0.2 0.863 100.6 59.7 -52.8 -35.1 11.2 77.4 9.4 75 78 A E T 3< S+ 0 0 71 -4,-2.4 4,-0.3 1,-0.3 -1,-0.3 0.720 107.6 46.9 -68.6 -19.1 13.5 74.5 8.3 76 79 A Q T <> S+ 0 0 35 -3,-1.7 4,-2.5 -4,-0.2 -1,-0.3 0.486 87.7 92.5 -96.5 -2.9 10.7 72.0 9.3 77 80 A V H <> S+ 0 0 7 -3,-1.8 4,-2.9 -4,-0.4 5,-0.3 0.884 81.3 52.6 -58.8 -46.3 7.9 74.0 7.5 78 81 A P H > S+ 0 0 90 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.957 115.0 44.1 -57.4 -43.5 8.0 72.1 4.2 79 82 A L H > S+ 0 0 69 -4,-0.3 4,-2.9 2,-0.2 5,-0.3 0.905 112.9 51.0 -64.0 -42.0 7.7 68.8 6.2 80 83 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.948 112.6 46.0 -61.3 -47.2 5.0 70.2 8.5 81 84 A K H X S+ 0 0 101 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.898 113.6 48.7 -64.7 -38.7 2.9 71.4 5.5 82 85 A E H X S+ 0 0 104 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.942 112.0 48.1 -67.7 -47.2 3.3 68.2 3.6 83 86 A K H <>S+ 0 0 37 -4,-2.9 5,-2.3 1,-0.2 3,-0.5 0.952 112.6 47.6 -59.3 -47.7 2.4 65.9 6.6 84 87 A L H ><5S+ 0 0 2 -4,-2.4 -81,-2.3 -5,-0.3 3,-2.2 0.945 109.7 53.1 -60.7 -41.1 -0.7 67.9 7.4 85 88 A S H 3<5S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.792 104.8 56.8 -68.5 -23.3 -1.9 68.0 3.8 86 89 A Q T 3<5S- 0 0 95 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.446 128.2 -96.6 -81.9 -7.2 -1.5 64.2 3.7 87 90 A G T < 5S+ 0 0 27 -3,-2.2 2,-0.4 -4,-0.4 -54,-0.4 0.459 78.6 138.1 107.2 0.0 -3.9 63.8 6.7 88 91 A V < - 0 0 0 -5,-2.3 2,-0.4 -6,-0.2 -85,-0.4 -0.697 45.5-142.6 -86.5 128.6 -1.4 63.5 9.5 89 92 A T E - c 0 34A 3 -56,-2.6 -54,-2.3 -2,-0.4 2,-0.5 -0.770 17.0-148.6 -85.7 134.0 -2.1 65.4 12.8 90 93 A L E -ac 5 35A 0 -86,-2.6 -84,-3.0 -2,-0.4 2,-0.6 -0.952 7.1-159.3-111.8 124.6 1.1 66.8 14.2 91 94 A V E -ac 6 36A 0 -56,-2.5 -54,-3.0 -2,-0.5 2,-0.5 -0.943 18.0-161.9-101.9 114.9 1.6 67.2 18.0 92 95 A V E -ac 7 37A 0 -86,-3.1 -84,-3.0 -2,-0.6 2,-1.1 -0.907 16.8-146.7-113.4 122.6 4.3 69.7 18.7 93 96 A D E S-ac 8 38A 18 -56,-2.7 -54,-2.6 -2,-0.5 -84,-0.1 -0.768 78.8 -17.4 -91.5 100.7 6.2 70.1 22.0 94 97 A R S S+ 0 0 52 -86,-2.1 2,-0.2 -2,-1.1 -85,-0.1 0.429 72.2 174.0 78.2 147.1 6.8 73.9 22.0 95 98 A Y >> - 0 0 1 -88,-0.1 4,-1.6 -57,-0.1 3,-0.6 -0.597 56.9 -33.5-150.6-143.6 6.6 76.2 19.1 96 99 A A H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.787 125.8 64.4 -63.0 -25.0 6.8 80.0 18.3 97 100 A F H 3> S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.940 103.2 45.6 -66.9 -44.5 5.2 80.9 21.7 98 101 A S H <> S+ 0 0 10 -3,-0.6 4,-2.4 2,-0.2 5,-0.4 0.864 109.3 59.5 -64.0 -33.3 8.2 79.5 23.7 99 102 A G H X S+ 0 0 7 -4,-1.6 4,-1.5 1,-0.2 5,-0.3 0.960 113.1 35.4 -61.7 -45.5 10.4 81.3 21.2 100 103 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.912 116.6 53.0 -73.5 -42.5 8.9 84.7 22.1 101 104 A A H X S+ 0 0 0 -4,-2.6 4,-0.6 -5,-0.2 59,-0.2 0.875 112.4 43.3 -65.4 -36.3 8.3 84.0 25.8 102 105 A Y H < S+ 0 0 18 -4,-2.4 3,-0.2 2,-0.2 -1,-0.2 0.872 119.8 39.0 -80.9 -38.5 11.9 82.9 26.5 103 106 A T H >< S+ 0 0 2 -4,-1.5 3,-2.0 -5,-0.4 -2,-0.2 0.885 112.7 60.7 -75.5 -31.4 13.8 85.6 24.6 104 107 A G H 3< S+ 0 0 12 -4,-2.4 5,-0.3 -5,-0.3 -2,-0.2 0.726 92.3 66.4 -68.5 -17.9 11.1 88.0 25.8 105 108 A A T 3< S+ 0 0 3 -4,-0.6 2,-0.3 -3,-0.2 -1,-0.3 0.431 85.4 88.6 -76.5 -6.6 12.2 87.3 29.4 106 109 A K S X S- 0 0 21 -3,-2.0 3,-0.9 3,-0.1 -3,-0.0 -0.760 94.9 -92.0 -89.4 150.9 15.6 88.9 28.7 107 110 A E T 3 S+ 0 0 126 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.236 103.7 12.9 -66.2 148.2 15.9 92.7 29.3 108 111 A N T 3 S+ 0 0 147 1,-0.1 2,-0.5 -4,-0.1 -1,-0.2 0.751 86.2 123.8 60.7 35.8 15.2 94.9 26.4 109 112 A F < - 0 0 22 -3,-0.9 -1,-0.1 -5,-0.3 -3,-0.1 -0.928 51.6-145.6-120.0 108.5 13.6 92.5 23.9 110 113 A S > - 0 0 66 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.334 15.8-127.4 -69.7 156.3 10.1 93.7 22.9 111 114 A L H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.924 111.2 56.4 -68.2 -38.7 7.4 91.1 22.2 112 115 A D H > S+ 0 0 107 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.919 108.7 46.1 -55.8 -47.6 6.8 92.7 18.8 113 116 A W H 4 S+ 0 0 92 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.904 112.0 50.5 -65.7 -40.5 10.5 92.2 17.8 114 117 A C H < S+ 0 0 0 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.834 109.0 52.5 -67.8 -30.1 10.6 88.6 19.1 115 118 A K H >< S+ 0 0 56 -4,-2.4 3,-1.7 1,-0.2 4,-0.5 0.846 90.0 78.4 -70.0 -38.6 7.4 87.6 17.2 116 119 A Q G >< S+ 0 0 86 -4,-1.3 3,-1.4 -3,-0.3 -1,-0.2 0.781 86.3 53.8 -45.3 -48.1 8.5 88.9 13.7 117 120 A P G 3 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.804 112.0 48.5 -59.0 -31.6 10.8 86.1 12.6 118 121 A D G X S+ 0 0 0 -3,-1.7 3,-1.9 -4,-0.4 -2,-0.2 0.408 81.2 120.1 -88.9 -1.3 8.0 83.6 13.3 119 122 A V T < S+ 0 0 40 -3,-1.4 89,-0.2 -4,-0.5 90,-0.1 -0.402 76.1 27.1 -62.3 128.9 5.4 85.7 11.4 120 123 A G T 3 S+ 0 0 7 87,-2.9 -1,-0.2 1,-0.3 3,-0.1 0.280 84.3 134.9 100.4 -9.9 4.1 83.4 8.6 121 124 A L S < S- 0 0 0 -3,-1.9 86,-3.7 86,-0.2 -1,-0.3 -0.212 75.6 -75.6 -63.2 162.8 4.7 80.0 10.1 122 125 A P B -E 206 0B 3 0, 0.0 84,-0.2 0, 0.0 -1,-0.1 -0.381 55.5-126.0 -54.2 128.6 1.9 77.4 9.9 123 126 A K - 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