==== 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 1E99 . 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) . 10002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.4 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 . 29 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 39.2 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 0.000 360.0 360.0 360.0 100.1 -8.7 65.5 5.0 2 5 A R - 0 0 37 198,-0.2 83,-0.2 197,-0.2 82,-0.1 -0.275 360.0-117.4 -66.6 157.8 -5.8 67.3 6.6 3 6 A G - 0 0 3 81,-2.3 2,-0.3 85,-0.3 86,-0.2 -0.282 32.8-105.2 -83.1 167.7 -4.3 66.5 10.0 4 7 A A - 0 0 0 83,-0.2 86,-2.9 -2,-0.1 2,-0.7 -0.697 15.6-135.6 -95.7 155.2 -4.3 68.9 12.9 5 8 A L E -a 90 0A 0 -2,-0.3 120,-2.8 84,-0.2 121,-1.3 -0.944 29.6-178.1-109.5 106.9 -1.4 70.9 14.2 6 9 A I E -ab 91 126A 0 84,-3.2 86,-3.0 -2,-0.7 2,-0.4 -0.966 6.4-164.2-113.5 125.4 -1.5 70.7 18.0 7 10 A V E -ab 92 127A 0 119,-2.8 121,-3.2 -2,-0.5 2,-0.6 -0.909 8.5-154.6-110.5 139.3 1.0 72.4 20.2 8 11 A L E +ab 93 128A 0 84,-3.0 86,-2.4 -2,-0.4 2,-0.3 -0.958 23.0 163.4-106.9 122.5 1.8 71.9 23.9 9 12 A E E + b 0 129A 0 119,-3.2 121,-2.3 -2,-0.6 2,-0.3 -0.747 13.3 135.7-121.2 172.2 3.2 74.8 25.7 10 13 A G E - b 0 130A 2 119,-0.3 121,-0.2 -2,-0.3 3,-0.1 -0.863 49.9 -63.7 160.2 165.4 3.3 75.1 29.5 11 14 A V S > S- 0 0 22 119,-2.0 3,-2.2 -2,-0.3 5,-0.3 -0.146 73.8 -63.0 -71.9 173.8 5.3 76.0 32.6 12 15 A D T 3 S+ 0 0 26 1,-0.3 -1,-0.2 2,-0.1 131,-0.0 -0.239 120.8 0.2 -61.0 132.3 8.5 74.2 33.8 13 16 A R T 3 S+ 0 0 50 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.534 88.8 128.5 67.4 15.2 7.8 70.6 34.7 14 17 A A S < S- 0 0 2 -3,-2.2 -2,-0.1 116,-0.2 -1,-0.1 0.779 84.6 -99.7 -74.1 -17.1 4.1 70.9 33.9 15 18 A G > + 0 0 17 -4,-0.3 4,-2.7 115,-0.1 5,-0.3 0.619 69.8 147.7 109.1 27.5 4.4 67.8 31.7 16 19 A K H > S+ 0 0 14 -5,-0.3 4,-2.3 1,-0.2 5,-0.2 0.939 81.3 39.6 -56.3 -46.7 4.7 69.0 28.0 17 20 A S H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.958 116.9 48.0 -75.0 -44.4 6.9 66.1 27.0 18 21 A T H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.929 116.8 43.5 -59.2 -46.0 5.1 63.4 28.9 19 22 A Q H X S+ 0 0 5 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.887 111.0 54.1 -72.0 -30.7 1.7 64.6 27.7 20 23 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.935 111.7 46.0 -68.9 -37.3 2.9 65.0 24.1 21 24 A R H X S+ 0 0 136 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.926 115.1 45.6 -66.4 -47.1 4.2 61.4 24.1 22 25 A K H X S+ 0 0 40 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.845 110.3 54.8 -65.4 -34.6 1.0 60.0 25.7 23 26 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.945 108.6 47.2 -65.8 -47.0 -1.2 62.0 23.3 24 27 A V H X S+ 0 0 20 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.942 113.2 49.7 -58.9 -43.0 0.5 60.7 20.2 25 28 A E H X S+ 0 0 128 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.926 113.4 45.6 -60.9 -47.0 0.3 57.1 21.6 26 29 A A H X S+ 0 0 20 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.875 111.4 51.0 -65.1 -41.2 -3.4 57.5 22.4 27 30 A L H ><>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 3,-0.6 0.928 112.4 46.9 -62.3 -44.6 -4.4 59.1 19.1 28 31 A C H ><5S+ 0 0 61 -4,-2.4 3,-1.8 -5,-0.3 -2,-0.2 0.916 108.9 54.4 -64.0 -35.0 -2.7 56.3 17.1 29 32 A A H 3<5S+ 0 0 90 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.708 105.3 55.9 -69.3 -23.3 -4.3 53.7 19.3 30 33 A A T <<5S- 0 0 57 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.089 128.6 -95.1 -98.0 25.1 -7.6 55.3 18.4 31 34 A G T < 5S+ 0 0 71 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.512 84.0 128.3 82.6 -0.1 -7.1 54.9 14.7 32 35 A H < - 0 0 46 -5,-2.7 2,-0.7 -6,-0.2 -1,-0.3 -0.617 60.9-126.6 -83.8 158.7 -5.7 58.4 14.0 33 36 A R + 0 0 141 54,-0.4 56,-2.8 -2,-0.2 2,-0.3 -0.918 48.8 157.0 -98.8 112.0 -2.4 58.9 12.1 34 37 A A E -c 89 0A 7 -2,-0.7 2,-0.3 54,-0.2 56,-0.2 -0.997 21.2-171.0-137.6 149.0 -0.4 61.1 14.5 35 38 A E E -c 90 0A 74 54,-2.3 56,-2.4 -2,-0.3 2,-0.4 -0.973 20.7-119.8-142.5 152.2 3.2 61.9 15.0 36 39 A L E +c 91 0A 53 -2,-0.3 2,-0.3 54,-0.2 56,-0.2 -0.759 28.3 171.5 -94.5 139.5 5.3 63.7 17.6 37 40 A L E -c 92 0A 18 54,-2.7 56,-2.2 -2,-0.4 2,-0.3 -0.852 8.7-168.1-133.0 162.4 7.6 66.7 17.0 38 41 A R E -c 93 0A 86 -2,-0.3 56,-0.2 54,-0.2 57,-0.1 -0.984 18.7-105.3-148.2 157.0 9.4 69.0 19.4 39 42 A F S S+ 0 0 9 54,-2.5 2,-0.2 -2,-0.3 30,-0.0 -0.996 100.2 42.0-132.4 139.5 11.3 72.3 19.4 40 43 A P S S- 0 0 19 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 0.526 80.1-156.4 -69.0 148.9 14.1 72.8 19.5 41 44 A E > - 0 0 26 -2,-0.2 3,-0.9 1,-0.1 6,-0.1 -0.835 10.8-170.0 -91.2 100.2 14.7 69.9 17.1 42 45 A R T 3 + 0 0 82 -2,-1.0 9,-0.1 1,-0.2 -1,-0.1 0.493 65.6 79.6 -79.9 2.5 18.3 69.2 18.2 43 46 A S T 3 S+ 0 0 79 4,-0.1 -1,-0.2 5,-0.1 2,-0.1 0.676 78.4 75.8 -83.7 -20.3 19.2 66.8 15.4 44 47 A T S <> S- 0 0 29 -3,-0.9 4,-2.3 1,-0.1 5,-0.2 -0.313 97.4 -98.2 -86.0 177.0 19.8 69.3 12.6 45 48 A E H > S+ 0 0 171 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.928 128.8 41.6 -57.4 -51.0 22.9 71.5 12.2 46 49 A I H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 110.7 58.0 -60.9 -43.0 21.1 74.4 13.8 47 50 A G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.896 103.5 53.5 -55.7 -36.7 19.6 72.1 16.4 48 51 A K H X S+ 0 0 135 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.908 107.5 49.5 -70.1 -34.6 23.1 71.1 17.5 49 52 A L H X S+ 0 0 91 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.911 113.4 47.9 -64.5 -41.5 24.1 74.8 17.9 50 53 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.895 110.4 50.9 -67.0 -40.4 20.9 75.2 20.0 51 54 A S H X S+ 0 0 17 -4,-2.8 4,-1.8 2,-0.2 6,-0.2 0.916 109.5 49.8 -63.3 -45.9 21.6 72.1 22.1 52 55 A S H <>S+ 0 0 33 -4,-2.4 5,-2.6 1,-0.2 6,-0.9 0.950 111.7 49.9 -59.3 -42.9 25.2 73.2 22.9 53 56 A Y H ><5S+ 0 0 7 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.911 110.3 48.4 -57.4 -49.4 23.9 76.7 23.9 54 57 A L H 3<5S+ 0 0 12 -4,-2.5 93,-3.4 1,-0.3 -1,-0.2 0.804 110.1 51.8 -66.7 -30.9 21.2 75.3 26.2 55 58 A Q T 3<5S- 0 0 76 -4,-1.8 -1,-0.3 91,-0.2 -2,-0.2 0.351 114.5-119.7 -80.7 1.4 23.6 72.9 27.9 56 59 A K T < 5S+ 0 0 116 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.770 80.0 125.6 61.8 25.1 25.9 75.9 28.5 57 60 A K S - 0 0 112 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.313 38.1-120.1 -55.4 138.0 24.6 86.2 21.2 62 65 A D H > S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.810 109.9 44.6 -55.3 -43.2 21.0 86.7 22.3 63 66 A H H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 114.6 51.0 -66.9 -43.9 19.6 88.0 19.0 64 67 A S H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.937 110.6 47.7 -57.6 -48.9 21.5 85.3 17.1 65 68 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.900 108.6 55.1 -64.6 -35.2 20.2 82.5 19.3 66 69 A H H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.937 110.0 46.1 -60.0 -44.7 16.6 83.8 19.0 67 70 A L H X S+ 0 0 80 -4,-2.1 4,-3.3 1,-0.2 -1,-0.2 0.893 109.8 54.4 -69.9 -34.0 16.8 83.7 15.2 68 71 A L H X S+ 0 0 33 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.922 106.3 51.8 -66.0 -41.6 18.4 80.2 15.3 69 72 A F H X S+ 0 0 21 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.913 114.3 43.8 -58.3 -43.1 15.5 78.9 17.4 70 73 A S H >X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 3,-1.0 0.931 111.4 52.5 -66.1 -44.8 13.1 80.4 14.8 71 74 A A H 3X S+ 0 0 36 -4,-3.3 4,-2.4 1,-0.3 -2,-0.2 0.866 102.4 61.5 -59.5 -33.6 15.1 79.0 11.9 72 75 A N H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 2,-0.2 4,-0.2 0.779 107.2 44.4 -63.3 -29.9 14.9 75.6 13.6 73 76 A R H X< S+ 0 0 5 -3,-1.0 3,-1.6 -4,-0.8 4,-0.3 0.935 111.5 52.7 -78.0 -46.1 11.1 75.8 13.2 74 77 A W H >< S+ 0 0 93 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.844 100.6 60.2 -58.3 -38.8 11.3 77.0 9.6 75 78 A E T 3< S+ 0 0 72 -4,-2.4 4,-0.3 1,-0.3 -1,-0.3 0.703 107.6 47.8 -65.3 -19.1 13.6 74.2 8.5 76 79 A Q T <> S+ 0 0 31 -3,-1.6 4,-2.5 -4,-0.2 -1,-0.3 0.422 85.9 92.3 -96.6 0.6 10.8 71.8 9.5 77 80 A V H <> S+ 0 0 10 -3,-1.8 4,-3.2 -4,-0.3 5,-0.3 0.914 81.8 53.7 -63.2 -40.7 7.9 73.6 7.8 78 81 A P H > S+ 0 0 91 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.965 114.0 43.6 -60.7 -43.5 8.1 71.6 4.5 79 82 A L H > S+ 0 0 63 -4,-0.3 4,-3.2 1,-0.2 -2,-0.2 0.894 113.5 51.5 -62.9 -48.7 7.8 68.4 6.5 80 83 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.942 113.2 43.8 -55.6 -47.5 5.0 69.9 8.7 81 84 A K H X S+ 0 0 119 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.912 113.5 51.9 -68.4 -40.3 3.0 71.0 5.7 82 85 A E H X S+ 0 0 106 -4,-2.7 4,-1.4 -5,-0.3 -1,-0.2 0.932 112.2 45.4 -59.4 -50.8 3.6 67.7 3.9 83 86 A K H ><>S+ 0 0 46 -4,-3.2 5,-2.4 2,-0.2 3,-0.5 0.939 113.3 47.5 -60.5 -47.2 2.4 65.7 6.9 84 87 A L H ><5S+ 0 0 2 -4,-2.5 3,-2.4 1,-0.3 -81,-2.3 0.946 109.8 54.4 -61.5 -39.8 -0.7 67.7 7.7 85 88 A S H 3<5S+ 0 0 84 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.771 104.2 55.7 -65.7 -25.8 -1.6 67.6 4.0 86 89 A Q T <<5S- 0 0 95 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.360 126.2-100.1 -85.3 4.5 -1.4 63.8 4.1 87 90 A G T < 5S+ 0 0 19 -3,-2.4 2,-0.6 1,-0.3 -54,-0.4 0.552 77.4 140.4 90.4 10.5 -3.9 63.6 7.0 88 91 A V < - 0 0 3 -5,-2.4 -85,-0.3 -6,-0.2 2,-0.3 -0.761 45.8-140.3 -92.0 122.1 -1.3 63.2 9.7 89 92 A T E - c 0 34A 3 -56,-2.8 -54,-2.3 -2,-0.6 2,-0.5 -0.648 15.9-147.5 -78.6 135.5 -1.9 65.1 12.9 90 93 A L E -ac 5 35A 2 -86,-2.9 -84,-3.2 -2,-0.3 2,-0.5 -0.954 9.1-162.5-112.1 126.9 1.2 66.6 14.5 91 94 A V E -ac 6 36A 0 -56,-2.4 -54,-2.7 -2,-0.5 2,-0.5 -0.949 16.8-160.8-107.3 118.9 1.6 67.0 18.3 92 95 A V E -ac 7 37A 0 -86,-3.0 -84,-3.0 -2,-0.5 2,-1.1 -0.930 17.1-146.2-117.5 120.6 4.4 69.5 19.0 93 96 A D E S-ac 8 38A 20 -56,-2.2 -54,-2.5 -2,-0.5 -84,-0.1 -0.794 80.7 -17.1 -84.9 94.7 6.3 69.8 22.2 94 97 A R S S+ 0 0 54 -86,-2.4 2,-0.2 -2,-1.1 -55,-0.1 0.471 73.2 178.8 81.0 145.9 6.9 73.6 22.3 95 98 A Y >> - 0 0 1 -57,-0.1 4,-1.6 -88,-0.1 3,-0.6 -0.520 54.6 -37.9-148.8-145.1 6.6 76.0 19.4 96 99 A A H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.753 125.4 65.8 -63.2 -25.2 7.0 79.7 18.5 97 100 A F H 3> S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.932 101.5 46.6 -65.4 -42.0 5.4 80.7 21.8 98 101 A S H <> S+ 0 0 10 -3,-0.6 4,-2.6 1,-0.2 5,-0.4 0.909 109.4 59.5 -63.3 -39.7 8.3 79.3 23.8 99 102 A G H X S+ 0 0 7 -4,-1.6 4,-1.5 1,-0.2 5,-0.3 0.910 112.8 35.0 -50.0 -54.4 10.5 81.1 21.3 100 103 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.893 117.0 53.1 -70.0 -43.4 9.0 84.5 22.1 101 104 A A H X S+ 0 0 0 -4,-3.0 4,-0.6 -5,-0.2 59,-0.2 0.873 111.3 45.0 -63.2 -39.4 8.5 83.8 25.8 102 105 A F H < S+ 0 0 20 -4,-2.6 3,-0.3 -5,-0.2 -1,-0.2 0.926 120.7 36.9 -74.1 -43.7 12.1 82.8 26.5 103 106 A T H >< S+ 0 0 2 -4,-1.5 3,-2.3 -5,-0.4 -2,-0.2 0.909 113.8 59.1 -72.6 -35.5 13.9 85.5 24.5 104 107 A G H 3< S+ 0 0 12 -4,-2.6 5,-0.2 1,-0.3 -1,-0.2 0.699 94.6 65.2 -65.8 -17.1 11.2 88.0 25.7 105 108 A A T 3< S+ 0 0 3 -4,-0.6 -1,-0.3 -3,-0.3 2,-0.2 0.488 88.4 88.2 -79.0 -10.0 12.2 87.2 29.3 106 109 A K S X S- 0 0 22 -3,-2.3 3,-1.1 1,-0.1 2,-0.0 -0.640 94.5 -87.9 -87.4 156.6 15.6 88.8 28.6 107 110 A E T 3 S+ 0 0 124 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.328 105.5 11.9 -67.1 142.7 16.3 92.5 29.1 108 111 A N T 3 S+ 0 0 158 1,-0.2 2,-0.6 -4,-0.1 -1,-0.2 0.712 89.0 123.1 65.7 31.7 15.6 94.7 26.1 109 112 A F < - 0 0 22 -3,-1.1 -1,-0.2 -5,-0.2 2,-0.1 -0.958 49.8-149.6-120.5 110.7 13.7 92.3 23.9 110 113 A S > - 0 0 64 -2,-0.6 4,-2.2 1,-0.1 5,-0.2 -0.472 20.1-125.1 -74.4 153.4 10.2 93.5 22.9 111 114 A L H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.891 111.8 57.5 -62.2 -39.0 7.5 90.9 22.3 112 115 A D H > S+ 0 0 106 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.930 108.2 44.3 -56.3 -53.3 7.0 92.4 18.8 113 116 A W H 4 S+ 0 0 92 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.897 112.9 52.8 -58.6 -43.0 10.7 91.9 17.8 114 117 A C H < S+ 0 0 0 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.872 109.3 48.9 -62.6 -37.0 10.6 88.4 19.2 115 118 A K H >X S+ 0 0 46 -4,-2.2 3,-1.3 1,-0.2 4,-0.5 0.852 91.6 79.9 -72.4 -33.1 7.5 87.4 17.3 116 119 A Q G >< S+ 0 0 89 -4,-1.5 3,-1.6 1,-0.3 -1,-0.2 0.762 85.9 53.4 -52.0 -46.5 8.6 88.6 13.8 117 120 A P G 34 S+ 0 0 34 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.838 112.2 48.0 -59.3 -33.4 10.9 85.7 12.7 118 121 A D G X4 S+ 0 0 0 -3,-1.3 3,-1.9 -4,-0.4 -2,-0.2 0.462 81.0 121.3 -86.6 -2.3 8.1 83.3 13.4 119 122 A V T << S+ 0 0 40 -3,-1.6 89,-0.2 -4,-0.5 90,-0.1 -0.406 77.0 24.3 -61.9 128.1 5.4 85.3 11.6 120 123 A G T 3 S+ 0 0 14 87,-2.8 -1,-0.2 1,-0.3 3,-0.1 0.330 86.0 136.6 99.5 -8.6 4.0 83.1 8.8 121 124 A L S < S- 0 0 0 -3,-1.9 86,-3.2 86,-0.3 -1,-0.3 -0.269 75.4 -70.7 -62.5 162.4 4.8 79.6 10.3 122 125 A P E -E 206 0B 3 0, 0.0 84,-0.2 0, 0.0 -1,-0.2 -0.230 58.4-124.9 -51.8 129.0 2.1 77.0 10.1 123 126 A K E -E 205 0B 50 82,-2.5 82,-0.5 -3,-0.1 -118,-0.2 -0.697 20.8-120.1 -83.8 125.7 -0.6 78.1 12.6 124 127 A P - 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0 0 36 -3,-1.3 3,-1.3 -4,-0.2 5,-0.2 -0.633 52.0-171.6 -74.0 107.1 -4.0 86.8 21.2 168 171 A T T 3 S+ 0 0 137 -2,-1.0 -1,-0.2 1,-0.3 -3,-0.1 0.447 74.1 80.5 -77.6 -3.3 -7.5 85.7 20.1 169 172 A T T 3 S+ 0 0 73 2,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.663 89.1 72.5 -74.6 -11.7 -6.4 84.7 16.6 170 173 A L S < S- 0 0 13 -3,-1.3 2,-1.9 -5,-0.1 -45,-0.1 -0.833 84.4-126.4-111.0 144.3 -5.3 81.5 18.4 171 174 A N + 0 0 69 -47,-0.4 -44,-3.0 -2,-0.4 2,-0.4 -0.545 41.9 178.9 -84.7 76.0 -7.2 78.5 19.8 172 175 A W E -d 127 0A 32 -2,-1.9 2,-0.4 -46,-0.2 -44,-0.2 -0.676 9.8-174.7 -81.4 135.1 -5.7 78.6 23.2 173 176 A K E -d 128 0A 88 -46,-2.8 -44,-2.3 -2,-0.4 2,-0.2 -0.968 17.8-138.4-131.6 127.7 -6.9 76.1 25.8 174 177 A M E -d 129 0A 77 -2,-0.4 2,-0.4 -46,-0.2 -44,-0.2 -0.509 17.0-161.1 -81.6 141.1 -5.7 76.1 29.4 175 178 A V E -d 130 0A 4 -46,-2.9 -44,-3.0 -2,-0.2 2,-1.3 -0.983 18.9-134.2-122.9 132.3 -4.9 72.7 31.0 176 179 A D E > -d 131 0A 74 -2,-0.4 3,-1.0 -46,-0.2 -44,-0.2 -0.643 26.4-179.9 -83.6 96.8 -4.8 72.1 34.7 177 180 A A T 3 + 0 0 1 -46,-2.4 -1,-0.2 -2,-1.3 -45,-0.2 0.399 61.0 88.5 -82.6 9.1 -1.5 70.1 34.8 178 181 A S T 3 S+ 0 0 52 -47,-0.3 -1,-0.2 6,-0.0 3,-0.1 0.524 72.6 87.4 -80.4 -12.9 -1.7 69.7 38.6 179 182 A K S < S- 0 0 90 -3,-1.0 5,-0.0 1,-0.2 0, 0.0 -0.156 95.8 -67.1 -74.5-174.1 -3.7 66.5 38.2 180 183 A S > - 0 0 71 1,-0.1 4,-2.8 4,-0.0 5,-0.3 -0.200 49.0-106.2 -69.7 159.1 -2.3 63.0 37.8 181 184 A I H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.932 122.5 46.4 -53.1 -46.9 -0.5 62.1 34.6 182 185 A E H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.886 113.0 48.4 -65.1 -40.1 -3.5 60.0 33.4 183 186 A A H > S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.891 112.5 47.5 -67.2 -44.2 -6.1 62.7 34.3 184 187 A V H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.927 111.8 53.1 -58.6 -45.5 -4.2 65.5 32.6 185 188 A H H X S+ 0 0 16 -4,-2.4 4,-3.3 -5,-0.3 5,-0.2 0.928 105.8 51.3 -57.1 -45.5 -3.8 63.2 29.6 186 189 A E H X S+ 0 0 85 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.938 109.9 50.4 -63.9 -38.9 -7.5 62.5 29.3 187 190 A D H X S+ 0 0 60 -4,-1.9 4,-1.9 1,-0.2 5,-0.2 0.926 115.3 43.4 -61.8 -44.9 -8.3 66.3 29.4 188 191 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.905 111.5 54.0 -65.2 -41.1 -5.7 66.8 26.6 189 192 A R H X S+ 0 0 56 -4,-3.3 4,-2.8 -5,-0.2 5,-0.2 0.932 109.0 47.7 -64.5 -44.3 -6.9 63.8 24.6 190 193 A V H X S+ 0 0 78 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.930 112.8 47.4 -64.0 -46.4 -10.5 65.0 24.5 191 194 A L H X S+ 0 0 51 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.908 113.3 52.0 -58.4 -38.8 -9.6 68.5 23.5 192 195 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.940 106.0 50.5 -66.7 -46.6 -7.3 67.0 20.9 193 196 A E H X S+ 0 0 58 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.925 111.0 51.6 -57.4 -39.8 -10.0 64.7 19.3 194 197 A D H X S+ 0 0 108 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.948 111.2 46.1 -62.6 -48.5 -12.3 67.7 19.0 195 198 A A H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.868 109.8 54.6 -64.3 -34.7 -9.6 69.8 17.3 196 199 A I H X S+ 0 0 15 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.933 106.9 51.0 -63.8 -46.5 -8.7 67.0 14.9 197 200 A A H >< S+ 0 0 54 -4,-2.3 3,-0.8 -5,-0.2 -2,-0.2 0.978 116.8 39.6 -56.4 -52.4 -12.3 66.6 13.8 198 201 A T H >X S+ 0 0 69 -4,-2.0 3,-2.9 1,-0.2 4,-0.6 0.812 100.5 70.7 -71.0 -27.9 -12.6 70.4 13.1 199 202 A A H >< S+ 0 0 3 -4,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.848 87.9 66.8 -56.3 -33.8 -9.2 71.0 11.5 200 203 A T T << S+ 0 0 40 -4,-1.0 -1,-0.3 -3,-0.8 -198,-0.2 0.592 97.5 59.0 -62.9 -7.9 -10.3 69.0 8.5 201 204 A E T <4 S+ 0 0 163 -3,-2.9 -1,-0.2 1,-0.1 -2,-0.2 0.748 104.5 37.9 -94.2 -27.1 -12.7 71.9 7.9 202 205 A K S << S- 0 0 56 -3,-0.8 3,-0.1 -4,-0.6 -1,-0.1 -0.917 88.6-100.4-124.4 150.0 -10.5 75.0 7.5 203 206 A P - 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