==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-AUG-08 3E2I . COMPND 2 MOLECULE: THYMIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR R.LAM,K.JOHNS,K.P.BATTAILE,V.ROMANOV,K.LAM,E.F.PAI,N.Y.CHIRG . 175 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 18.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 7 A S 0 0 151 0, 0.0 2,-0.1 0, 0.0 89,-0.1 0.000 360.0 360.0 360.0 175.9 57.0 8.3 3.1 2 8 A G - 0 0 9 87,-0.8 2,-0.3 88,-0.2 92,-0.3 -0.446 360.0-178.0 -97.9 172.8 53.8 9.6 4.9 3 9 A W E -a 94 0A 88 90,-1.2 92,-2.9 -2,-0.1 2,-0.4 -0.954 22.9-115.9-158.7 171.1 50.2 9.9 3.8 4 10 A I E -a 95 0A 4 -2,-0.3 117,-1.7 90,-0.2 116,-1.1 -0.980 17.1-165.8-120.9 132.7 46.8 11.0 5.0 5 11 A E E -ab 96 121A 7 90,-3.0 92,-3.0 -2,-0.4 2,-0.5 -0.963 11.1-154.8-115.6 131.4 43.7 8.9 5.6 6 12 A C E -ab 97 122A 0 115,-2.5 117,-3.1 -2,-0.4 2,-0.5 -0.918 8.7-170.8-112.4 124.9 40.4 10.7 6.0 7 13 A I E +ab 98 123A 0 90,-3.2 92,-2.1 -2,-0.5 2,-0.2 -0.968 23.2 156.5-114.6 119.4 37.4 9.1 7.9 8 14 A T E +ab 99 124A 0 115,-3.0 117,-3.1 -2,-0.5 2,-0.3 -0.795 5.8 109.8-139.5 175.6 34.1 11.0 7.6 9 15 A G E -ab 100 125A 0 90,-0.6 92,-0.7 -2,-0.2 93,-0.2 -0.819 61.9 -37.4 139.9-179.9 30.4 10.6 7.8 10 16 A S > - 0 0 3 115,-0.6 3,-1.9 -2,-0.3 5,-0.4 -0.076 65.1 -90.3 -74.3 172.0 27.4 11.7 10.0 11 17 A X T 3 S+ 0 0 80 1,-0.3 3,-0.4 91,-0.2 4,-0.1 0.808 123.9 40.8 -52.0 -37.8 27.3 12.0 13.7 12 18 A F T 3 S+ 0 0 101 1,-0.2 -1,-0.3 126,-0.1 116,-0.2 0.236 85.2 100.1-101.2 20.9 26.2 8.4 14.4 13 19 A S S < S- 0 0 17 -3,-1.9 -1,-0.2 112,-0.1 113,-0.1 0.490 91.9-113.9 -86.0 -7.3 28.4 6.6 11.8 14 20 A G > + 0 0 18 -3,-0.4 4,-2.4 -4,-0.2 5,-0.2 0.756 60.6 151.7 80.8 23.1 31.1 5.5 14.2 15 21 A K H > S+ 0 0 10 -5,-0.4 4,-2.3 1,-0.2 5,-0.1 0.888 73.3 48.1 -50.0 -46.0 33.9 7.7 12.8 16 22 A S H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.869 110.4 51.1 -68.9 -37.3 35.8 7.9 16.1 17 23 A E H > S+ 0 0 151 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 110.8 49.1 -64.3 -42.7 35.5 4.1 16.7 18 24 A E H X S+ 0 0 34 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.887 108.7 53.5 -64.3 -40.2 37.0 3.5 13.2 19 25 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.955 110.7 46.4 -55.9 -50.6 39.8 6.0 13.9 20 26 A I H X S+ 0 0 43 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.902 108.5 56.4 -60.8 -42.1 40.7 4.1 17.1 21 27 A R H X S+ 0 0 117 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.921 110.0 45.0 -55.1 -46.2 40.5 0.7 15.2 22 28 A R H X S+ 0 0 21 -4,-2.1 4,-1.0 1,-0.2 3,-0.5 0.925 112.3 51.4 -65.7 -42.1 43.1 2.0 12.7 23 29 A L H >X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 3,-0.7 0.890 103.6 58.0 -62.0 -41.0 45.3 3.4 15.4 24 30 A R H 3X S+ 0 0 95 -4,-2.7 4,-2.0 1,-0.3 -1,-0.2 0.796 96.0 63.1 -63.9 -29.0 45.3 0.1 17.4 25 31 A R H 3X S+ 0 0 106 -4,-1.1 4,-1.1 -3,-0.5 -1,-0.3 0.922 100.1 55.2 -57.0 -39.6 46.7 -1.7 14.3 26 32 A G H X<>S+ 0 0 1 -4,-1.0 5,-2.6 -3,-0.7 3,-0.7 0.929 105.3 52.6 -55.2 -45.3 49.8 0.6 14.8 27 33 A I H ><5S+ 0 0 2 -4,-1.2 3,-2.2 1,-0.3 -1,-0.2 0.931 106.6 50.4 -59.1 -48.8 50.1 -0.7 18.4 28 34 A Y H 3<5S+ 0 0 123 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.677 107.4 55.7 -66.4 -18.1 50.1 -4.3 17.4 29 35 A A T <<5S- 0 0 57 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.294 119.5-112.7 -91.4 5.9 52.8 -3.5 14.8 30 36 A K T < 5 + 0 0 176 -3,-2.2 -3,-0.2 1,-0.2 2,-0.2 0.791 69.1 146.3 65.2 31.0 54.9 -2.0 17.7 31 37 A Q < - 0 0 67 -5,-2.6 2,-0.6 -6,-0.2 -1,-0.2 -0.573 55.8-111.8 -91.1 159.4 54.6 1.5 16.3 32 38 A K - 0 0 70 33,-0.2 36,-1.9 -2,-0.2 35,-1.8 -0.855 42.6-174.8 -93.0 125.0 54.4 4.7 18.3 33 39 A V E -c 68 0A 0 -2,-0.6 15,-2.5 13,-0.4 2,-0.3 -0.968 12.5-178.0-129.6 132.9 50.9 6.1 18.0 34 40 A V E -cd 69 48A 1 34,-2.4 36,-3.4 -2,-0.4 2,-0.4 -0.945 9.4-158.4-126.1 152.5 49.3 9.3 19.2 35 41 A V E -cd 70 49A 1 13,-2.4 15,-3.0 -2,-0.3 2,-0.4 -0.996 6.5-154.6-129.5 126.2 45.8 10.7 18.9 36 42 A F E +cd 71 50A 0 34,-2.8 36,-2.6 -2,-0.4 15,-0.2 -0.837 18.5 177.6 -92.7 135.0 44.9 14.4 19.3 37 43 A K E - d 0 51A 53 13,-2.4 15,-2.6 -2,-0.4 36,-0.1 -0.998 36.3 -94.0-139.5 143.1 41.3 15.3 20.4 38 44 A P E d 0 52A 24 0, 0.0 15,-0.2 0, 0.0 36,-0.0 -0.143 360.0 360.0 -49.9 139.4 39.5 18.6 21.1 39 45 A A 0 0 84 13,-2.3 14,-0.1 12,-0.1 13,-0.1 0.474 360.0 360.0 -99.4 360.0 39.6 19.6 24.8 40 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 41 57 A S 0 0 105 0, 0.0 2,-0.3 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 135.7 47.6 -0.8 25.2 42 58 A H B > -F 45 0B 61 3,-3.2 3,-2.0 -15,-0.1 -12,-0.1 -0.946 360.0 -20.5-144.0 123.0 49.3 -4.0 24.0 43 59 A N T 3 S- 0 0 151 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.841 129.3 -46.0 45.9 45.8 52.5 -5.4 25.5 44 60 A G T 3 S+ 0 0 75 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.091 117.4 111.5 92.3 -22.3 53.6 -2.0 27.0 45 61 A N B < +F 42 0B 39 -3,-2.0 -3,-3.2 -18,-0.1 2,-0.3 -0.754 43.4 169.0 -90.1 123.2 52.7 -0.1 23.8 46 62 A A - 0 0 41 -2,-0.5 -13,-0.4 -5,-0.3 2,-0.3 -0.959 41.2-100.2-135.3 151.8 49.7 2.2 24.1 47 63 A I - 0 0 42 -2,-0.3 2,-0.7 -15,-0.1 -13,-0.2 -0.558 36.0-138.9 -66.2 126.1 48.0 5.0 22.2 48 64 A E E -d 34 0A 86 -15,-2.5 -13,-2.4 -2,-0.3 2,-0.4 -0.828 18.1-155.8 -89.7 115.3 49.1 8.3 23.7 49 65 A A E -d 35 0A 59 -2,-0.7 2,-0.5 -15,-0.2 -13,-0.2 -0.805 8.9-169.1 -96.2 133.9 46.0 10.5 23.8 50 66 A I E -d 36 0A 18 -15,-3.0 -13,-2.4 -2,-0.4 2,-0.5 -0.974 11.9-146.9-128.6 118.3 46.5 14.4 23.8 51 67 A N E -d 37 0A 108 -2,-0.5 2,-0.3 -15,-0.2 -12,-0.1 -0.750 24.9-179.2 -88.4 125.6 43.6 16.8 24.5 52 68 A I E -d 38 0A 0 -15,-2.6 -13,-2.3 -2,-0.5 3,-0.1 -0.927 31.6-166.6-129.5 150.1 44.0 20.1 22.6 53 69 A S S S+ 0 0 80 -2,-0.3 2,-0.4 -15,-0.2 -1,-0.1 0.671 82.6 35.6 -98.4 -24.3 42.0 23.4 22.3 54 70 A K S > S- 0 0 122 1,-0.1 3,-1.6 23,-0.1 4,-0.3 -0.989 73.0-130.0-138.9 137.4 43.8 24.8 19.3 55 71 A A G > S+ 0 0 3 -2,-0.4 3,-1.9 1,-0.3 4,-0.4 0.843 106.1 67.1 -52.9 -39.0 45.2 23.1 16.1 56 72 A S G > S+ 0 0 37 1,-0.3 3,-0.7 2,-0.2 4,-0.3 0.726 84.2 73.3 -58.6 -25.5 48.5 25.0 16.6 57 73 A E G X S+ 0 0 57 -3,-1.6 3,-1.3 1,-0.2 4,-0.5 0.771 82.3 71.1 -56.2 -30.6 49.1 22.9 19.8 58 74 A I G X S+ 0 0 0 -3,-1.9 3,-1.3 -4,-0.3 -1,-0.2 0.917 95.6 50.5 -55.4 -44.0 49.9 19.9 17.6 59 75 A X G < S+ 0 0 96 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.580 97.7 67.7 -76.5 -8.6 53.2 21.4 16.4 60 76 A T G < S+ 0 0 110 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.3 0.561 87.5 84.5 -84.4 -12.0 54.3 22.2 20.1 61 77 A H S < S- 0 0 67 -3,-1.3 2,-0.9 -4,-0.5 0, 0.0 -0.727 89.2-116.4 -90.9 142.6 54.6 18.4 20.7 62 78 A D + 0 0 123 -2,-0.3 3,-0.2 1,-0.2 -2,-0.1 -0.684 43.4 163.7 -78.7 105.1 57.8 16.5 19.8 63 79 A L > + 0 0 15 -2,-0.9 3,-2.1 1,-0.1 -1,-0.2 0.257 35.9 113.4-106.6 11.4 56.5 14.1 17.2 64 80 A T T 3 S+ 0 0 108 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.853 85.3 38.8 -55.4 -38.3 59.9 13.1 15.7 65 81 A N T 3 S+ 0 0 138 -3,-0.2 2,-0.5 2,-0.0 -1,-0.3 0.270 92.5 110.2 -94.8 12.8 59.6 9.5 17.0 66 82 A V < - 0 0 12 -3,-2.1 -33,-0.2 1,-0.2 3,-0.1 -0.769 42.7-175.0 -96.1 126.3 55.9 9.1 16.3 67 83 A D S S+ 0 0 76 -35,-1.8 27,-2.2 -2,-0.5 2,-0.4 0.889 71.3 29.5 -81.7 -44.5 54.8 6.7 13.5 68 84 A V E -ce 33 94A 1 -36,-1.9 -34,-2.4 25,-0.2 2,-0.5 -0.976 63.5-167.1-127.6 130.6 51.0 7.3 13.4 69 85 A I E -ce 34 95A 0 25,-2.8 27,-2.7 -2,-0.4 2,-0.3 -0.971 5.7-166.6-122.5 116.8 49.1 10.5 14.3 70 86 A G E -ce 35 96A 0 -36,-3.4 -34,-2.8 -2,-0.5 2,-0.4 -0.758 4.1-169.7 -97.0 148.5 45.4 10.4 14.8 71 87 A I E -ce 36 97A 0 25,-2.4 27,-2.4 -2,-0.3 3,-0.3 -0.950 11.6-161.8-137.7 118.3 43.2 13.6 14.9 72 88 A D + 0 0 12 -36,-2.6 27,-0.1 -2,-0.4 4,-0.1 -0.574 65.7 14.6 -98.7 160.9 39.6 13.2 16.0 73 89 A E > + 0 0 66 -2,-0.2 3,-2.1 1,-0.1 26,-0.3 0.879 69.1 175.9 46.5 53.4 36.6 15.5 15.6 74 90 A V G > + 0 0 0 24,-2.7 3,-1.8 -3,-0.3 25,-0.2 0.740 67.2 74.3 -67.7 -21.2 38.5 17.6 13.0 75 91 A Q G 3 S+ 0 0 30 1,-0.3 -1,-0.3 23,-0.1 -2,-0.1 0.682 83.1 72.4 -60.6 -18.9 35.5 19.8 12.3 76 92 A F G < S+ 0 0 115 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.825 95.4 61.1 -60.6 -33.9 36.3 21.4 15.7 77 93 A F S < S- 0 0 12 -3,-1.8 2,-0.1 -4,-0.3 -23,-0.1 -0.398 82.4-124.4 -94.0 168.9 39.4 23.0 14.1 78 94 A D > - 0 0 93 -2,-0.1 3,-1.5 33,-0.1 4,-0.3 -0.184 49.9 -67.5 -97.8-163.1 39.6 25.6 11.3 79 95 A D T >> S+ 0 0 76 1,-0.3 3,-1.3 2,-0.2 4,-0.7 0.660 118.8 79.7 -65.5 -16.2 41.4 25.6 7.9 80 96 A E H 3> S+ 0 0 76 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.828 81.9 66.0 -57.1 -33.3 44.8 25.8 9.8 81 97 A I H <> S+ 0 0 0 -3,-1.5 4,-2.6 1,-0.2 -1,-0.3 0.786 91.2 64.9 -61.8 -26.0 44.6 22.0 10.5 82 98 A V H <> S+ 0 0 2 -3,-1.3 4,-2.5 -4,-0.3 -1,-0.2 0.958 104.7 40.8 -66.0 -52.5 44.9 21.3 6.7 83 99 A S H X S+ 0 0 75 -4,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.840 114.0 55.7 -64.9 -30.2 48.4 22.7 6.3 84 100 A I H X S+ 0 0 12 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.958 110.8 43.8 -64.1 -47.9 49.4 21.0 9.6 85 101 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.884 113.1 51.9 -64.0 -41.1 48.2 17.6 8.3 86 102 A E H X S+ 0 0 75 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.935 112.0 46.5 -62.0 -45.0 49.9 18.2 5.0 87 103 A K H X S+ 0 0 107 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.922 110.9 52.0 -60.8 -47.8 53.2 19.1 6.8 88 104 A L H <>S+ 0 0 2 -4,-2.9 5,-2.0 2,-0.2 -2,-0.2 0.923 112.8 44.2 -57.8 -45.1 52.9 16.0 9.1 89 105 A S H ><5S+ 0 0 15 -4,-2.4 3,-1.5 1,-0.2 -87,-0.8 0.888 111.9 53.2 -68.3 -37.6 52.4 13.6 6.1 90 106 A A H 3<5S+ 0 0 79 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.900 103.1 59.4 -56.6 -42.7 55.2 15.4 4.2 91 107 A D T 3<5S- 0 0 83 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.474 129.4 -97.7 -66.6 -4.8 57.4 14.8 7.3 92 108 A G T < 5S+ 0 0 40 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.471 78.1 135.1 103.3 2.6 56.8 11.0 6.9 93 109 A H < - 0 0 16 -5,-2.0 -90,-1.2 -91,-0.1 2,-0.7 -0.550 58.5-124.5 -83.4 147.0 53.9 10.3 9.3 94 110 A R E -ae 3 68A 46 -27,-2.2 -25,-2.8 -92,-0.3 2,-0.5 -0.836 35.9-162.4 -79.4 117.9 50.9 8.3 8.7 95 111 A V E -ae 4 69A 0 -92,-2.9 -90,-3.0 -2,-0.7 2,-0.5 -0.936 11.0-170.8-111.0 124.2 48.1 10.8 9.5 96 112 A I E -ae 5 70A 0 -27,-2.7 -25,-2.4 -2,-0.5 2,-0.4 -0.963 6.9-173.7-117.3 116.7 44.6 9.7 10.2 97 113 A V E -ae 6 71A 0 -92,-3.0 -90,-3.2 -2,-0.5 2,-0.4 -0.890 3.7-172.2-112.0 139.1 41.9 12.3 10.5 98 114 A A E +a 7 0A 0 -27,-2.4 -24,-2.7 -2,-0.4 2,-0.3 -0.996 22.0 127.8-130.7 136.8 38.2 11.8 11.4 99 115 A G E -a 8 0A 0 -92,-2.1 -90,-0.6 -2,-0.4 2,-0.1 -0.980 54.6 -67.0-173.8 172.3 35.4 14.3 11.4 100 116 A L E -a 9 0A 15 -2,-0.3 12,-0.3 -92,-0.2 -90,-0.2 -0.405 25.6-158.3 -72.2 142.6 31.9 15.2 10.3 101 117 A D S S+ 0 0 9 -92,-0.7 8,-2.4 1,-0.2 2,-0.3 0.852 76.3 11.5 -83.4 -40.7 31.1 15.7 6.6 102 118 A X B S-G 108 0C 38 6,-0.3 -1,-0.2 -93,-0.2 -91,-0.2 -0.935 70.2-125.0-136.5 156.8 28.0 17.9 7.1 103 119 A D > - 0 0 24 4,-2.5 3,-2.3 -2,-0.3 36,-0.3 -0.282 51.2 -81.3 -86.7-178.6 26.2 19.7 9.9 104 120 A F T 3 S+ 0 0 24 1,-0.3 37,-0.3 2,-0.1 44,-0.1 0.713 131.9 57.0 -56.0 -24.7 22.5 19.2 10.8 105 121 A R T 3 S- 0 0 104 2,-0.1 -1,-0.3 35,-0.1 68,-0.1 0.504 119.3-111.1 -82.9 -6.2 21.5 21.5 7.9 106 122 A G S < S+ 0 0 13 -3,-2.3 -2,-0.1 1,-0.3 3,-0.0 0.620 72.5 143.8 78.8 14.6 23.3 19.2 5.5 107 123 A E - 0 0 99 1,-0.1 -4,-2.5 0, 0.0 -1,-0.3 -0.708 61.1 -98.2 -86.1 137.4 25.9 22.0 4.9 108 124 A P B -G 102 0C 76 0, 0.0 2,-0.8 0, 0.0 -6,-0.3 -0.239 35.8-130.5 -54.6 137.8 29.6 20.9 4.4 109 125 A F > - 0 0 66 -8,-2.4 3,-1.9 -9,-0.1 -7,-0.0 -0.840 35.8-100.1 -97.1 106.5 31.6 21.1 7.7 110 126 A E T 3 S+ 0 0 112 -2,-0.8 -10,-0.1 1,-0.3 -31,-0.0 -0.320 98.8 19.5 -54.9 142.9 34.9 23.0 7.2 111 127 A P T 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 -0.872 103.1 83.2-103.2 25.3 37.6 21.9 6.9 112 128 A X H <> S+ 0 0 0 -3,-1.9 4,-2.9 -12,-0.3 5,-0.3 0.857 87.0 58.4 -53.0 -46.0 36.5 18.3 5.8 113 129 A P H > S+ 0 0 48 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.943 109.4 42.3 -57.5 -48.9 36.0 19.1 2.2 114 130 A K H > S+ 0 0 87 -3,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.902 114.7 52.2 -63.6 -39.6 39.6 20.3 1.6 115 131 A L H X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.897 109.4 49.1 -63.8 -39.8 41.0 17.4 3.7 116 132 A X H < S+ 0 0 53 -4,-2.9 -1,-0.2 1,-0.2 3,-0.2 0.898 110.4 52.1 -64.2 -40.2 39.0 14.9 1.6 117 133 A A H < S+ 0 0 85 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.868 116.7 37.7 -64.2 -37.6 40.3 16.5 -1.6 118 134 A V H < S+ 0 0 44 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.575 94.8 100.8 -94.1 -9.1 44.0 16.3 -0.5 119 135 A S < - 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