==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-AUG-07 2R3O . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.O.FISCHMANN,A.W.HRUZA,V.M.MADISON,J.S.DUCA . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14172.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 63.8 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 . 39 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 17 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 27.2 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 2 2 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 . 1 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,-3.0 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -31.0 -12.9 30.0 -3.4 2 2 A E T 3 + 0 0 147 1,-0.3 22,-0.1 3,-0.1 0, 0.0 0.673 360.0 68.1 -57.5 -14.3 -12.9 30.2 -7.2 3 3 A N T 3 S+ 0 0 66 20,-0.1 21,-2.9 21,-0.1 22,-0.5 0.581 96.0 66.1 -80.4 -11.7 -10.6 33.1 -6.6 4 4 A F E < -A 23 0A 23 -3,-3.0 2,-0.6 19,-0.3 19,-0.2 -0.920 62.5-154.4-120.7 143.1 -7.8 30.9 -5.3 5 5 A Q E -A 22 0A 96 17,-3.2 17,-2.7 -2,-0.4 2,-0.3 -0.948 24.8-133.4-111.8 114.0 -5.7 28.2 -6.8 6 6 A K E -A 21 0A 106 -2,-0.6 15,-0.3 15,-0.3 3,-0.1 -0.523 23.8-178.8 -69.0 128.0 -4.4 25.7 -4.1 7 7 A V E - 0 0 57 13,-3.5 2,-0.3 1,-0.4 14,-0.2 0.786 59.3 -32.1 -97.5 -38.1 -0.7 25.1 -4.6 8 8 A E E -A 20 0A 105 12,-1.4 12,-3.2 0, 0.0 2,-0.5 -0.946 62.5 -92.1-175.8 158.4 0.0 22.6 -1.9 9 9 A K E -A 19 0A 102 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.714 33.5-178.1 -82.7 127.1 -1.0 21.5 1.6 10 10 A I E - 0 0 54 8,-2.4 2,-0.2 -2,-0.5 9,-0.2 0.433 59.0 -39.4-107.0 0.5 1.2 23.3 4.1 11 11 A G E -A 18 0A 25 7,-1.0 7,-3.0 2,-0.0 2,-0.6 -0.859 53.2 -97.1 157.5 167.0 -0.2 21.7 7.3 12 12 A E E -A 17 0A 79 -2,-0.2 5,-0.3 5,-0.2 2,-0.1 -0.964 40.4-158.0-114.3 116.2 -3.3 20.4 9.2 13 13 A G - 0 0 11 3,-3.3 139,-0.4 -2,-0.6 140,-0.3 -0.270 33.7-101.9 -85.8 176.8 -4.6 22.9 11.7 14 14 A T S S+ 0 0 8 1,-0.2 138,-1.1 137,-0.2 139,-0.1 0.889 125.5 33.7 -62.4 -37.4 -6.7 22.3 14.7 15 15 A Y S S- 0 0 32 1,-0.2 2,-0.3 136,-0.2 -1,-0.2 0.644 129.8 -46.3 -96.0 -19.6 -9.7 23.5 12.7 16 16 A G S S- 0 0 6 19,-0.2 -3,-3.3 137,-0.0 -1,-0.2 -0.987 74.5 -43.9 170.6-178.5 -8.8 22.3 9.2 17 17 A V E -A 12 0A 9 17,-0.3 17,-1.9 -2,-0.3 2,-0.5 -0.474 46.9-146.0 -74.3 142.8 -6.4 21.8 6.4 18 18 A V E -AB 11 33A 11 -7,-3.0 -8,-2.4 15,-0.2 -7,-1.0 -0.956 17.1-166.6-113.3 129.9 -4.2 24.8 5.6 19 19 A Y E -AB 9 32A 57 13,-2.6 13,-3.5 -2,-0.5 2,-0.4 -0.926 25.2-130.2-118.3 146.9 -3.2 25.3 2.0 20 20 A K E +AB 8 31A 40 -12,-3.2 -13,-3.5 -2,-0.4 -12,-1.4 -0.744 47.1 172.7 -83.0 132.2 -0.6 27.5 0.2 21 21 A A E -AB 6 30A 0 9,-2.7 9,-3.0 -2,-0.4 2,-0.4 -0.969 31.2-132.9-144.2 160.6 -2.7 29.1 -2.5 22 22 A R E -AB 5 29A 91 -17,-2.7 -17,-3.2 -2,-0.3 2,-0.7 -0.954 25.6-121.3-119.1 133.8 -2.5 31.7 -5.2 23 23 A N E > -A 4 0A 25 5,-3.0 4,-2.7 -2,-0.4 -19,-0.3 -0.637 21.7-140.9 -71.7 111.3 -5.1 34.4 -5.8 24 24 A K T 4 S+ 0 0 125 -21,-2.9 -1,-0.2 -2,-0.7 -20,-0.1 0.667 96.2 37.6 -49.4 -18.5 -6.2 33.8 -9.4 25 25 A L T 4 S+ 0 0 144 -22,-0.5 -1,-0.2 3,-0.1 -21,-0.1 0.890 126.5 26.0 -97.8 -69.8 -6.3 37.5 -9.9 26 26 A T T 4 S- 0 0 104 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.697 92.4-132.1 -67.8 -22.2 -3.5 39.3 -8.0 27 27 A G < + 0 0 33 -4,-2.7 -3,-0.1 1,-0.3 -1,-0.1 0.426 51.1 161.2 80.3 -2.9 -1.3 36.2 -8.2 28 28 A E - 0 0 93 -5,-0.2 -5,-3.0 -6,-0.1 2,-0.5 -0.182 38.0-132.3 -50.6 139.3 -0.8 37.0 -4.5 29 29 A V E +B 22 0A 55 -7,-0.2 46,-0.6 -3,-0.1 2,-0.2 -0.871 39.3 159.4-101.4 126.4 0.5 33.9 -2.6 30 30 A V E -BC 21 74A 0 -9,-3.0 -9,-2.7 -2,-0.5 2,-0.5 -0.803 43.5-108.2-137.9 174.9 -1.5 33.2 0.7 31 31 A A E -BC 20 73A 9 42,-2.6 42,-3.0 -2,-0.2 2,-0.6 -0.964 33.1-157.0-110.0 126.8 -2.3 30.5 3.2 32 32 A L E -BC 19 72A 5 -13,-3.5 -13,-2.6 -2,-0.5 2,-0.6 -0.935 3.9-162.5-111.7 121.1 -5.9 29.4 3.0 33 33 A K E -BC 18 71A 30 38,-3.0 38,-2.4 -2,-0.6 2,-0.9 -0.899 5.8-155.9-107.2 119.8 -7.5 27.8 6.0 34 34 A K E C 0 70A 77 -17,-1.9 -17,-0.3 -2,-0.6 36,-0.2 -0.822 360.0 360.0 -94.2 103.8 -10.7 25.8 5.4 35 35 A I 0 0 49 34,-3.0 34,-0.9 -2,-0.9 -19,-0.2 -0.666 360.0 360.0 -81.1 360.0 -12.6 25.8 8.8 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 68 0, 0.0 2,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 140.3 -21.2 28.4 11.0 38 45 A P > - 0 0 84 0, 0.0 4,-1.5 0, 0.0 3,-0.3 -0.387 360.0-130.1 -65.5 143.5 -22.5 30.1 14.2 39 46 A S H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.803 107.1 62.9 -65.6 -28.8 -23.0 33.9 13.8 40 47 A T H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 101.5 50.3 -62.4 -41.3 -21.0 34.4 17.0 41 48 A A H > S+ 0 0 1 -3,-0.3 4,-2.9 1,-0.2 5,-0.3 0.931 108.0 54.3 -63.1 -43.3 -17.9 32.8 15.4 42 49 A I H X S+ 0 0 38 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.910 109.9 45.0 -58.2 -46.9 -18.3 35.1 12.3 43 50 A R H X S+ 0 0 164 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.968 115.3 47.0 -64.1 -49.4 -18.3 38.3 14.4 44 51 A E H X S+ 0 0 49 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.903 116.2 44.1 -56.3 -50.0 -15.4 37.3 16.5 45 52 A I H >X S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.2 4,-0.6 0.935 109.4 56.9 -63.4 -45.7 -13.3 36.2 13.6 46 53 A S H >< S+ 0 0 37 -4,-2.7 3,-1.5 -5,-0.3 4,-0.2 0.882 101.4 56.5 -54.8 -38.3 -14.2 39.2 11.6 47 54 A L H >< S+ 0 0 105 -4,-2.1 3,-1.7 1,-0.3 4,-0.4 0.785 93.6 70.0 -65.1 -25.7 -12.9 41.5 14.3 48 55 A L H X< S+ 0 0 12 -3,-1.3 3,-1.0 -4,-0.8 11,-0.3 0.750 81.3 74.1 -62.1 -25.4 -9.6 39.7 14.0 49 56 A K T << S+ 0 0 83 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.731 99.0 46.2 -60.5 -22.8 -9.1 41.4 10.6 50 57 A E T < S+ 0 0 170 -3,-1.7 2,-2.0 -4,-0.2 -1,-0.3 0.558 84.9 93.3 -95.2 -14.0 -8.4 44.6 12.5 51 58 A L < + 0 0 15 -3,-1.0 2,-0.4 -4,-0.4 8,-0.2 -0.567 62.4 168.9 -82.1 76.0 -5.9 43.1 15.1 52 59 A N + 0 0 74 -2,-2.0 5,-0.1 6,-0.1 -3,-0.0 -0.809 8.8 145.9-101.9 132.3 -2.8 43.9 13.0 53 60 A H > - 0 0 43 3,-0.4 3,-2.1 -2,-0.4 54,-0.1 -0.988 54.7-113.9-157.7 151.1 0.8 43.7 14.1 54 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.754 118.6 47.0 -61.7 -23.2 4.2 42.8 12.5 55 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.152 98.6 81.6-107.8 23.3 4.5 39.8 14.8 56 63 A I B < S-e 136 0B 9 -3,-2.1 -3,-0.4 79,-0.3 2,-0.2 -0.996 89.7-113.9-127.6 123.3 0.9 38.6 14.2 57 64 A V - 0 0 9 79,-2.4 2,-0.2 -2,-0.4 82,-0.1 -0.414 43.9-114.0 -57.4 117.6 0.2 36.6 11.0 58 65 A K - 0 0 87 -2,-0.2 16,-2.4 -4,-0.1 2,-0.8 -0.391 15.9-143.2 -65.6 131.9 -2.1 38.9 9.0 59 66 A L E -D 73 0A 9 -11,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.805 21.6-179.2 -92.0 109.3 -5.7 37.8 8.4 60 67 A L E - 0 0 33 12,-2.8 2,-0.3 -2,-0.8 13,-0.2 0.935 56.2 -12.8 -77.1 -51.2 -6.4 39.1 4.9 61 68 A D E -D 72 0A 89 11,-1.6 11,-3.0 2,-0.0 2,-0.4 -0.984 49.8-136.2-152.7 162.2 -9.9 38.1 4.4 62 69 A V E -D 71 0A 29 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.987 19.3-167.9-122.4 125.7 -12.8 35.9 5.6 63 70 A I E -D 70 0A 37 7,-3.3 7,-3.2 -2,-0.4 2,-0.6 -0.939 6.3-178.4-122.8 112.9 -14.9 33.9 3.2 64 71 A H E +D 69 0A 77 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.936 20.3 155.5-111.7 111.5 -18.1 32.4 4.3 65 72 A T E > -D 68 0A 65 3,-2.0 3,-1.0 -2,-0.6 -2,-0.1 -0.999 60.4 -2.8-143.8 141.6 -19.8 30.4 1.5 66 73 A E T 3 S- 0 0 197 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.841 131.1 -56.9 50.6 33.5 -22.2 27.5 1.2 67 74 A N T 3 S+ 0 0 137 1,-0.3 2,-0.3 -30,-0.0 -1,-0.3 0.890 116.4 123.0 63.8 39.8 -22.0 27.5 5.0 68 75 A K E < - D 0 65A 58 -3,-1.0 -3,-2.0 -31,-0.1 2,-0.5 -0.905 52.1-143.8-126.5 152.8 -18.3 27.0 4.7 69 76 A L E - D 0 64A 0 -34,-0.9 -34,-3.0 -2,-0.3 2,-0.4 -0.969 15.6-178.7-129.1 121.2 -15.6 29.3 6.3 70 77 A Y E -CD 34 63A 27 -7,-3.2 -7,-3.3 -2,-0.5 2,-0.5 -0.949 10.8-157.9-117.8 135.7 -12.3 30.1 4.7 71 78 A L E -CD 33 62A 0 -38,-2.4 -38,-3.0 -2,-0.4 2,-0.6 -0.955 6.7-153.9-115.0 124.9 -9.6 32.3 6.3 72 79 A V E +CD 32 61A 3 -11,-3.0 -12,-2.8 -2,-0.5 -11,-1.6 -0.901 22.9 176.4-102.3 116.4 -7.1 33.9 4.0 73 80 A F E -CD 31 59A 14 -42,-3.0 -42,-2.6 -2,-0.6 -14,-0.2 -0.816 38.0 -90.8-115.8 161.9 -3.8 34.7 5.8 74 81 A E E -C 30 0A 46 -16,-2.4 2,-0.4 -2,-0.3 -44,-0.2 -0.297 49.4-119.3 -62.9 147.8 -0.4 36.0 4.8 75 82 A F - 0 0 37 -46,-0.6 2,-0.3 -45,-0.1 -1,-0.1 -0.821 28.2-173.1 -96.2 137.3 1.9 33.2 3.8 76 83 A L - 0 0 13 -2,-0.4 53,-0.1 53,-0.1 52,-0.1 -0.952 25.7-129.2-125.6 146.5 5.2 32.5 5.7 77 84 A H S S+ 0 0 98 -2,-0.3 2,-0.3 51,-0.2 52,-0.1 0.685 78.9 11.5 -73.5 -19.0 7.8 29.9 4.5 78 85 A Q E -F 128 0B 38 50,-1.3 50,-2.5 213,-0.1 2,-0.3 -0.995 62.1-130.8-153.9 158.2 8.4 27.8 7.7 79 86 A D E > -F 127 0B 23 -2,-0.3 4,-2.4 48,-0.2 48,-0.3 -0.712 29.6-115.0-107.7 160.5 7.0 27.1 11.1 80 87 A L H > S+ 0 0 0 46,-3.4 4,-2.2 43,-0.9 44,-0.2 0.775 113.5 57.6 -64.5 -30.1 9.0 27.0 14.4 81 88 A K H > S+ 0 0 101 42,-0.8 4,-2.2 45,-0.3 -1,-0.2 0.977 110.9 43.3 -64.9 -49.6 8.4 23.3 15.0 82 89 A K H > S+ 0 0 124 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.927 114.1 51.3 -57.9 -46.2 10.0 22.5 11.6 83 90 A F H X S+ 0 0 13 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.854 109.9 49.1 -60.5 -39.5 12.8 25.0 12.2 84 91 A M H < S+ 0 0 23 -4,-2.2 3,-0.3 2,-0.2 -1,-0.2 0.886 110.3 50.5 -69.2 -39.2 13.6 23.5 15.6 85 92 A D H >< S+ 0 0 99 -4,-2.2 3,-1.5 1,-0.2 4,-0.3 0.950 110.8 50.1 -62.2 -46.2 13.7 20.0 14.2 86 93 A A H 3< S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.3 3,-0.2 0.700 113.0 46.2 -65.1 -22.7 16.0 21.2 11.5 87 94 A S T 3X S+ 0 0 17 -4,-1.0 4,-4.0 -3,-0.3 3,-0.5 0.230 77.9 111.9-103.8 10.3 18.3 22.8 14.1 88 95 A A T <4 S+ 0 0 48 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.869 71.4 57.0 -50.0 -45.9 18.4 19.8 16.4 89 96 A L T 4 S+ 0 0 170 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.881 130.4 8.6 -56.9 -44.2 22.1 19.0 15.8 90 97 A T T 4 S- 0 0 112 -3,-0.5 -2,-0.2 3,-0.0 -1,-0.2 0.551 101.4-133.6-115.8 -14.2 23.4 22.4 16.8 91 98 A G < - 0 0 7 -4,-4.0 -3,-0.1 -7,-0.2 99,-0.1 0.179 38.6 -59.5 75.2 158.7 20.3 24.1 18.3 92 99 A I - 0 0 14 97,-0.5 5,-0.1 1,-0.1 100,-0.0 -0.629 63.9-106.4 -75.5 126.3 19.1 27.6 17.6 93 100 A P >> - 0 0 82 0, 0.0 4,-2.1 0, 0.0 3,-1.2 -0.244 26.9-119.0 -53.3 138.9 21.8 30.2 18.5 94 101 A L H 3> S+ 0 0 61 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.832 111.7 58.0 -51.0 -41.0 20.9 32.1 21.7 95 102 A P H 3> S+ 0 0 66 0, 0.0 4,-1.7 0, 0.0 188,-0.4 0.854 110.2 44.4 -59.9 -33.3 20.8 35.5 20.0 96 103 A L H <> S+ 0 0 6 -3,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.883 112.8 50.6 -77.5 -39.6 18.2 34.2 17.6 97 104 A I H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.942 112.0 49.1 -60.9 -45.8 16.2 32.5 20.4 98 105 A K H X S+ 0 0 13 -4,-3.2 4,-2.3 -5,-0.2 -1,-0.2 0.906 111.5 48.4 -60.1 -43.0 16.4 35.8 22.2 99 106 A S H X S+ 0 0 4 -4,-1.7 4,-2.2 -5,-0.2 5,-0.2 0.915 111.6 49.4 -65.3 -42.1 15.2 37.8 19.2 100 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.953 112.3 48.0 -63.0 -46.2 12.3 35.4 18.5 101 108 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.901 110.9 51.0 -58.9 -45.3 11.2 35.6 22.2 102 109 A F H X S+ 0 0 54 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.916 112.6 45.5 -58.3 -44.5 11.4 39.4 22.2 103 110 A Q H X S+ 0 0 11 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.866 112.1 51.6 -69.2 -39.9 9.3 39.6 19.0 104 111 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.891 108.4 51.6 -64.9 -38.0 6.7 37.1 20.3 105 112 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 -5,-0.2 -1,-0.2 0.886 107.7 52.3 -66.6 -36.0 6.4 39.0 23.4 106 113 A Q H X S+ 0 0 60 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.911 110.3 48.4 -63.3 -42.3 5.7 42.2 21.4 107 114 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.914 114.3 46.0 -63.6 -44.2 3.0 40.3 19.5 108 115 A L H X S+ 0 0 0 -4,-2.8 4,-3.3 2,-0.2 5,-0.3 0.941 109.3 54.3 -63.7 -48.0 1.5 39.1 22.8 109 116 A A H X S+ 0 0 23 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.905 110.7 48.4 -52.3 -40.2 1.7 42.5 24.4 110 117 A F H X S+ 0 0 44 -4,-1.9 4,-0.7 -5,-0.2 -2,-0.2 0.976 114.8 42.0 -65.0 -56.6 -0.2 43.9 21.4 111 118 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 3,-1.3 0.910 114.0 51.8 -57.4 -47.1 -3.0 41.3 21.4 112 119 A H H ><5S+ 0 0 19 -4,-3.3 3,-1.8 1,-0.3 -1,-0.2 0.845 102.9 59.0 -61.9 -33.7 -3.3 41.4 25.2 113 120 A S H 3<5S+ 0 0 86 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.693 107.9 47.5 -67.2 -18.2 -3.7 45.2 25.1 114 121 A H T <<5S- 0 0 106 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.203 120.4-114.4-103.9 11.8 -6.7 44.5 22.9 115 122 A R T < 5S+ 0 0 186 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.822 72.6 137.0 57.9 34.6 -7.9 41.9 25.3 116 123 A V < - 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