==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-MAY-08 2VTI . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.G.WYATT,A.J.WOODHEAD,J.A.BOULSTRIDGE,V.BERDINI,M.G.CARR,D. . 280 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13980.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 21 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 3 1 0 1 0 0 2 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 1 1 0 2 1 1 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 1 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 1 A M > 0 0 39 0, 0.0 3,-1.2 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -17.6 12.7 3.7 74.6 2 2 A E T 3 + 0 0 151 1,-0.3 22,-0.1 3,-0.0 0, 0.0 0.505 360.0 87.6 -60.4 -3.7 13.5 4.6 78.3 3 3 A N T 3 S+ 0 0 68 20,-0.1 21,-2.2 21,-0.1 22,-0.4 0.338 82.1 70.9 -76.5 6.0 15.8 1.6 78.0 4 4 A F E < -A 23 0A 24 -3,-1.2 2,-0.6 19,-0.2 19,-0.2 -0.987 61.7-157.5-132.8 130.7 18.6 3.9 76.7 5 5 A Q E -A 22 0A 90 17,-2.6 17,-2.5 -2,-0.4 2,-0.3 -0.949 27.1-132.3-101.4 115.1 20.7 6.7 78.2 6 6 A K E -A 21 0A 93 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.504 23.1-176.7 -57.9 123.0 22.0 9.0 75.5 7 7 A V E - 0 0 72 13,-3.0 2,-0.3 1,-0.4 14,-0.2 0.867 62.3 -23.4 -88.1 -44.3 25.6 9.6 76.0 8 8 A E E -A 20 0A 103 12,-1.7 12,-2.8 0, 0.0 2,-0.4 -0.992 60.0-106.5-162.4 154.3 26.2 12.1 73.3 9 9 A K E -A 19 0A 109 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.719 24.5-171.2 -82.1 133.7 24.9 13.3 70.0 10 10 A I E - 0 0 90 8,-2.9 2,-0.2 -2,-0.4 9,-0.2 0.774 52.9 -74.3 -91.9 -38.1 27.1 12.2 67.1 11 11 A G E -A 18 0A 29 7,-1.3 7,-2.6 2,-0.0 2,-0.7 -0.844 47.9 -65.9 158.1 167.1 25.4 14.3 64.4 12 12 A E E -A 17 0A 140 -2,-0.2 5,-0.2 5,-0.2 2,-0.1 -0.735 48.8-171.6 -80.7 113.0 22.5 14.9 62.1 13 13 A G - 0 0 35 3,-2.5 3,-0.4 -2,-0.7 112,-0.0 -0.384 41.2 -94.0 -91.3 178.6 22.1 12.2 59.5 14 14 A T S S+ 0 0 72 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.785 124.9 34.4 -60.5 -31.4 19.8 12.2 56.5 15 15 A Y S S- 0 0 63 1,-0.3 2,-0.3 20,-0.1 -1,-0.2 0.481 129.5 -50.2-110.0 -0.4 17.1 10.3 58.4 16 16 A G S S- 0 0 20 -3,-0.4 -3,-2.5 19,-0.2 -1,-0.3 -0.921 74.6 -47.6 157.2 179.1 17.5 11.7 61.9 17 17 A V E -A 12 0A 30 17,-0.5 17,-1.5 -2,-0.3 2,-0.5 -0.543 48.4-141.9 -73.6 139.2 19.9 12.5 64.7 18 18 A V E -AB 11 33A 35 -7,-2.6 -8,-2.9 -2,-0.2 -7,-1.3 -0.937 19.3-168.2-100.8 129.1 22.3 9.7 65.6 19 19 A Y E -AB 9 32A 37 13,-3.5 13,-3.4 -2,-0.5 2,-0.5 -0.927 24.6-132.8-111.6 140.9 23.1 9.3 69.3 20 20 A K E +AB 8 31A 46 -12,-2.8 -13,-3.0 -2,-0.4 -12,-1.7 -0.825 46.6 172.0 -75.3 132.3 25.7 7.3 71.1 21 21 A A E -AB 6 30A 0 9,-2.6 9,-2.6 -2,-0.5 2,-0.4 -0.929 31.5-134.2-145.6 158.3 23.7 5.6 73.8 22 22 A R E -AB 5 29A 108 -17,-2.5 -17,-2.6 -2,-0.3 2,-0.5 -0.979 21.9-127.2-120.2 126.7 23.9 2.9 76.5 23 23 A N E > -A 4 0A 20 5,-3.3 4,-2.3 -2,-0.4 -19,-0.2 -0.681 13.4-150.7 -68.4 125.0 21.4 0.2 77.1 24 24 A K T 4 S+ 0 0 123 -21,-2.2 -1,-0.1 -2,-0.5 -20,-0.1 0.786 92.6 36.3 -71.8 -34.4 20.3 0.2 80.8 25 25 A L T 4 S+ 0 0 115 -22,-0.4 -1,-0.1 1,-0.1 -21,-0.0 0.956 127.7 31.0 -73.5 -70.1 19.5 -3.5 80.9 26 26 A T T 4 S- 0 0 93 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.676 91.8-134.7 -66.7 -24.0 22.2 -5.0 78.7 27 27 A G < + 0 0 34 -4,-2.3 -1,-0.1 1,-0.3 -3,-0.1 0.299 55.5 144.6 81.1 -9.0 24.9 -2.5 79.4 28 28 A E - 0 0 111 -6,-0.1 -5,-3.3 -5,-0.0 2,-0.4 -0.249 47.2-137.3 -68.1 142.9 25.7 -2.4 75.6 29 29 A V E +B 22 0A 35 -7,-0.2 46,-0.5 -3,-0.1 2,-0.3 -0.894 36.3 165.4 -97.8 133.2 26.7 0.9 74.0 30 30 A V E -BC 21 74A 5 -9,-2.6 -9,-2.6 -2,-0.4 2,-0.5 -0.836 43.4-102.4-136.9 169.7 24.9 1.4 70.6 31 31 A A E -BC 20 73A 14 42,-2.3 42,-3.0 -2,-0.3 2,-0.5 -0.943 36.8-159.0 -96.0 126.9 24.2 4.0 68.0 32 32 A L E -BC 19 72A 0 -13,-3.4 -13,-3.5 -2,-0.5 2,-0.5 -0.943 7.5-171.0-112.5 119.2 20.6 5.2 68.4 33 33 A K E -BC 18 71A 2 38,-2.6 38,-2.7 -2,-0.5 2,-0.7 -0.964 10.4-156.6-111.4 117.1 19.0 6.8 65.4 34 34 A K E C 0 70A 47 -17,-1.5 -17,-0.5 -2,-0.5 36,-0.2 -0.859 360.0 360.0 -89.8 119.4 15.6 8.5 65.8 35 35 A I 0 0 53 34,-2.7 34,-0.5 -2,-0.7 -19,-0.2 -0.656 360.0 360.0 -81.5 360.0 14.0 8.6 62.3 36 ! 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 37 44 A V 0 0 75 0, 0.0 5,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 104.2 4.8 5.7 60.6 38 45 A P >> - 0 0 81 0, 0.0 4,-1.7 0, 0.0 3,-0.9 -0.234 360.0-134.6 -55.6 131.4 3.9 4.0 57.3 39 46 A S H 3> S+ 0 0 57 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.796 105.6 63.6 -58.3 -30.8 3.5 0.2 57.6 40 47 A T H 3> S+ 0 0 90 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.866 101.2 49.2 -61.7 -42.1 5.6 -0.1 54.4 41 48 A A H <> S+ 0 0 1 -3,-0.9 4,-2.6 2,-0.2 5,-0.3 0.908 108.3 55.5 -63.3 -43.4 8.6 1.5 56.1 42 49 A I H X S+ 0 0 34 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.920 109.6 45.0 -53.3 -45.4 8.2 -0.9 59.1 43 50 A R H X S+ 0 0 152 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.899 113.5 48.1 -72.5 -36.2 8.4 -3.9 56.8 44 51 A E H X S+ 0 0 55 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.929 112.8 49.2 -67.8 -45.5 11.3 -2.8 54.7 45 52 A I H >X S+ 0 0 1 -4,-2.6 4,-0.8 1,-0.2 3,-0.8 0.935 107.7 54.6 -60.5 -43.4 13.2 -1.8 57.9 46 53 A S H >< S+ 0 0 53 -4,-2.3 3,-0.9 -5,-0.3 4,-0.4 0.898 103.0 56.6 -57.5 -36.1 12.4 -5.2 59.3 47 54 A L H >< S+ 0 0 101 -4,-2.0 3,-1.3 1,-0.2 4,-0.4 0.824 99.3 62.0 -58.8 -33.6 13.9 -6.9 56.2 48 55 A L H X< S+ 0 0 14 -4,-1.2 3,-1.0 -3,-0.8 11,-0.3 0.801 88.9 68.6 -72.8 -20.5 17.2 -5.0 57.0 49 56 A K T << S+ 0 0 57 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.676 100.8 47.9 -67.6 -19.4 17.6 -6.8 60.3 50 57 A E T < S+ 0 0 133 -3,-1.3 2,-1.8 -4,-0.4 -1,-0.3 0.482 86.2 93.9 -95.3 -10.7 18.3 -10.0 58.5 51 58 A L < + 0 0 17 -3,-1.0 2,-0.4 -4,-0.4 8,-0.2 -0.539 59.7 166.1 -86.4 78.6 20.8 -8.5 56.1 52 59 A N + 0 0 67 -2,-1.8 5,-0.1 6,-0.1 6,-0.1 -0.765 6.9 145.7-108.2 129.1 23.8 -9.3 58.2 53 60 A H > - 0 0 41 3,-0.4 3,-2.0 -2,-0.4 54,-0.0 -0.966 54.1-114.9-157.6 144.9 27.4 -9.1 57.0 54 61 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.694 116.8 50.1 -64.6 -11.6 30.7 -8.1 58.7 55 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.4 48,-0.1 2,-0.5 0.124 98.0 83.3-109.8 24.7 31.1 -5.0 56.5 56 63 A I B < S-e 136 0B 10 -3,-2.0 -3,-0.4 79,-0.2 81,-0.2 -0.988 90.2-116.1-126.6 114.7 27.6 -3.9 57.3 57 64 A V - 0 0 10 79,-2.8 2,-0.4 -2,-0.5 81,-0.1 -0.355 42.7-112.5 -46.2 121.8 26.9 -2.0 60.5 58 65 A K - 0 0 92 -4,-0.1 16,-3.0 1,-0.1 2,-0.8 -0.490 16.7-143.6 -70.6 120.4 24.6 -4.4 62.4 59 66 A L E -D 73 0A 11 -2,-0.4 14,-0.3 -11,-0.3 3,-0.1 -0.758 22.1-178.4 -72.8 114.3 21.0 -3.2 62.9 60 67 A L E - 0 0 41 12,-3.0 2,-0.3 -2,-0.8 13,-0.2 0.918 56.7 -4.5 -86.5 -43.1 20.4 -4.5 66.4 61 68 A D E -D 72 0A 91 11,-1.9 11,-3.4 2,-0.0 2,-0.5 -0.997 47.5-145.2-156.6 154.6 16.8 -3.4 67.0 62 69 A V E -D 71 0A 40 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.985 20.4-164.2-123.9 113.8 13.9 -1.5 65.5 63 70 A I E -D 70 0A 36 7,-3.7 7,-2.0 -2,-0.5 2,-0.9 -0.860 8.6-177.0-111.1 95.6 11.8 0.2 68.1 64 71 A H E +D 69 0A 93 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.844 27.9 151.1 -85.6 105.3 8.4 1.3 66.9 65 72 A T E > +D 68 0A 37 3,-2.2 3,-1.8 -2,-0.9 -2,-0.1 -1.000 57.7 1.5-143.7 144.0 7.0 3.1 69.9 66 73 A E T 3 S- 0 0 160 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.891 129.5 -59.1 45.6 44.6 4.5 6.0 70.5 67 74 A N T 3 S+ 0 0 131 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.756 117.3 115.8 58.7 27.1 4.1 6.1 66.7 68 75 A K E < - D 0 65A 82 -3,-1.8 -3,-2.2 -31,-0.1 2,-0.5 -0.846 59.8-133.5-128.9 161.6 7.8 6.8 66.4 69 76 A L E + D 0 64A 4 -34,-0.5 -34,-2.7 -2,-0.3 2,-0.5 -0.954 21.0 175.0-125.0 114.6 10.8 4.9 64.9 70 77 A Y E -CD 34 63A 39 -7,-2.0 -7,-3.7 -2,-0.5 2,-0.5 -0.984 14.3-156.6-118.9 129.6 14.1 4.3 66.6 71 78 A L E -CD 33 62A 1 -38,-2.7 -38,-2.6 -2,-0.5 2,-0.6 -0.915 4.6-155.6-103.6 129.0 16.8 2.2 65.0 72 79 A V E +CD 32 61A 2 -11,-3.4 -12,-3.0 -2,-0.5 -11,-1.9 -0.920 20.7 175.7-107.6 118.3 19.5 0.6 67.3 73 80 A F E -CD 31 59A 21 -42,-3.0 -42,-2.3 -2,-0.6 -14,-0.2 -0.805 39.7 -90.9-115.4 163.2 22.7 -0.2 65.6 74 81 A E E -C 30 0A 47 -16,-3.0 2,-0.4 -2,-0.3 -44,-0.2 -0.411 52.4-120.0 -62.9 148.9 26.1 -1.5 66.6 75 82 A F - 0 0 35 -46,-0.5 2,-0.3 -2,-0.1 -46,-0.1 -0.750 25.7-168.8-102.5 131.6 28.3 1.5 67.4 76 83 A L - 0 0 14 -2,-0.4 53,-0.1 53,-0.1 3,-0.1 -0.924 19.9-137.7-113.9 150.6 31.6 2.3 65.7 77 84 A H S S+ 0 0 99 51,-0.4 2,-0.3 -2,-0.3 52,-0.1 0.657 76.5 23.5 -85.5 -16.3 34.0 4.9 67.0 78 85 A Q E -F 128 0B 11 50,-1.0 50,-2.6 204,-0.1 2,-0.2 -0.998 61.6-139.9-151.0 147.9 35.0 6.8 63.9 79 86 A D E > -F 127 0B 47 -2,-0.3 4,-1.9 48,-0.2 48,-0.2 -0.686 32.7-110.8-105.3 163.2 33.9 7.6 60.4 80 87 A L H > S+ 0 0 0 46,-2.4 4,-2.6 43,-1.1 44,-0.2 0.783 113.5 60.8 -62.4 -27.6 36.0 7.7 57.2 81 88 A K H > S+ 0 0 93 42,-0.7 4,-2.8 45,-0.2 -1,-0.2 0.964 108.2 42.2 -63.9 -48.6 35.6 11.5 56.9 82 89 A K H > S+ 0 0 108 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.876 115.6 50.6 -62.7 -41.8 37.2 12.2 60.3 83 90 A F H X S+ 0 0 10 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.858 110.3 49.7 -64.2 -39.5 39.9 9.5 59.5 84 91 A M H >< S+ 0 0 21 -4,-2.6 3,-1.0 2,-0.2 -2,-0.2 0.954 111.8 48.6 -61.0 -50.4 40.6 11.2 56.1 85 92 A D H >< S+ 0 0 93 -4,-2.8 3,-1.2 1,-0.3 -2,-0.2 0.904 112.0 48.5 -53.7 -49.9 40.9 14.6 57.8 86 93 A A H 3< S+ 0 0 81 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.601 115.1 46.2 -65.0 -15.3 43.3 13.1 60.4 87 94 A S T > - 0 0 78 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.297 26.6-118.6 -63.8 143.2 48.5 4.6 53.0 94 101 A L H 3> S+ 0 0 65 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.786 111.8 57.1 -55.0 -36.8 47.7 2.7 49.8 95 102 A P H 3> S+ 0 0 70 0, 0.0 4,-2.0 0, 0.0 179,-0.4 0.906 110.5 44.8 -67.3 -30.7 47.5 -0.7 51.4 96 103 A L H <> S+ 0 0 8 -3,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.860 112.1 51.9 -76.1 -32.9 44.9 0.6 53.9 97 104 A I H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.953 111.6 47.4 -60.8 -46.7 43.0 2.3 51.0 98 105 A K H X S+ 0 0 10 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.909 111.9 49.8 -67.1 -38.8 43.0 -0.9 49.1 99 106 A S H X S+ 0 0 4 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.911 112.9 47.0 -62.0 -48.5 41.8 -2.9 52.2 100 107 A Y H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.914 113.4 47.8 -60.3 -46.8 39.0 -0.5 52.9 101 108 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.905 112.9 49.6 -61.4 -44.0 37.9 -0.5 49.2 102 109 A F H X S+ 0 0 52 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.907 112.2 46.7 -59.4 -48.0 38.1 -4.3 49.2 103 110 A Q H X S+ 0 0 10 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.890 112.2 50.1 -66.2 -38.1 36.0 -4.7 52.4 104 111 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.898 107.8 53.5 -69.7 -39.0 33.4 -2.1 51.2 105 112 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.866 107.4 52.4 -59.1 -37.7 33.1 -4.0 47.8 106 113 A Q H X S+ 0 0 68 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.950 109.2 49.0 -59.3 -52.8 32.4 -7.2 49.9 107 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.901 114.8 44.9 -47.0 -53.5 29.7 -5.3 51.8 108 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.913 109.2 54.6 -60.1 -49.6 28.2 -4.1 48.5 109 116 A A H X S+ 0 0 25 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.917 111.2 48.1 -50.0 -46.9 28.5 -7.5 46.8 110 117 A F H X S+ 0 0 49 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.963 116.1 39.9 -56.9 -60.6 26.5 -9.0 49.7 111 118 A C H ><>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 3,-1.0 0.940 115.6 52.2 -62.5 -45.1 23.7 -6.4 49.7 112 119 A H H ><5S+ 0 0 27 -4,-3.4 3,-1.8 1,-0.3 -1,-0.2 0.825 102.1 58.5 -58.1 -36.9 23.5 -6.2 45.9 113 120 A S H 3<5S+ 0 0 72 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.773 108.5 48.2 -69.1 -23.5 23.1 -10.0 45.7 114 121 A H T <<5S- 0 0 79 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.201 121.3-112.2 -93.8 15.5 20.0 -9.5 47.9 115 122 A R T < 5S+ 0 0 194 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.757 74.9 135.3 64.2 23.5 18.8 -6.7 45.6 116 123 A V < - 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