==== 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 2R3N . 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 . 275 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13887.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 64.0 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 . 38 13.8 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 . 17 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 27.6 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 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 1 2 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 40 0, 0.0 3,-0.2 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 120.5 -10.9 29.4 -3.5 2 2 A E + 0 0 167 1,-0.3 3,-0.0 3,-0.1 0, 0.0 0.853 360.0 34.2 -62.3 -23.0 -12.8 30.4 -6.5 3 3 A N S S+ 0 0 70 21,-0.1 21,-2.1 20,-0.0 22,-0.6 0.431 122.4 64.5-102.4 -5.2 -10.6 33.4 -6.2 4 4 A F E -A 23 0A 15 19,-0.3 2,-0.6 -3,-0.2 19,-0.2 -0.922 65.5-148.9-124.5 149.4 -7.7 31.2 -4.9 5 5 A Q E -A 22 0A 95 17,-2.9 17,-2.6 -2,-0.3 2,-0.1 -0.951 25.7-130.4-117.3 113.9 -5.6 28.4 -6.3 6 6 A K E +A 21 0A 83 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.409 27.5 176.6 -62.5 132.8 -4.4 25.9 -3.7 7 7 A V E - 0 0 57 13,-3.1 2,-0.3 1,-0.4 14,-0.2 0.807 58.1 -29.8-104.2 -48.9 -0.7 25.2 -3.9 8 8 A E E -A 20 0A 106 12,-1.4 12,-3.6 0, 0.0 2,-0.5 -0.981 58.7 -98.2-166.7 158.7 -0.0 22.8 -1.1 9 9 A K E +A 19 0A 82 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.736 35.6 179.1 -83.1 126.5 -1.1 21.8 2.4 10 10 A I E - 0 0 51 8,-2.5 2,-0.3 -2,-0.5 9,-0.2 0.522 56.9 -22.1-109.2 -5.9 1.2 23.5 4.9 11 11 A G E -A 18 0A 28 7,-1.3 7,-2.8 2,-0.0 2,-0.6 -0.954 56.1-106.2 174.2 168.3 -0.2 22.3 8.2 12 12 A E E -A 17 0A 134 -2,-0.3 5,-0.3 5,-0.2 21,-0.0 -0.942 36.9-156.6-118.8 107.8 -3.1 20.9 10.1 13 13 A G - 0 0 28 3,-2.6 5,-0.0 -2,-0.6 112,-0.0 -0.087 27.8-114.6 -73.1 177.8 -4.7 23.5 12.4 14 14 A T S S+ 0 0 57 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 0.825 121.0 36.3 -81.4 -33.8 -6.8 22.8 15.5 15 15 A Y S S- 0 0 99 1,-0.2 2,-0.3 20,-0.0 -1,-0.1 0.785 135.4 -43.0 -86.3 -33.4 -9.8 24.2 13.7 16 16 A G S S- 0 0 16 19,-0.2 -3,-2.6 0, 0.0 2,-0.3 -0.952 73.6 -55.4-174.1-169.4 -8.9 22.9 10.3 17 17 A V E -AB 12 34A 37 17,-0.8 17,-2.5 -2,-0.3 2,-0.5 -0.672 43.8-139.5 -92.6 145.7 -6.3 22.3 7.6 18 18 A V E -AB 11 33A 26 -7,-2.8 -8,-2.5 -2,-0.3 -7,-1.3 -0.911 17.1-167.9-109.2 132.4 -4.1 25.2 6.3 19 19 A Y E -AB 9 32A 62 13,-2.9 13,-3.8 -2,-0.5 2,-0.4 -0.905 23.7-129.6-118.6 146.6 -3.2 25.6 2.7 20 20 A K E +AB 8 31A 40 -12,-3.6 -13,-3.1 -2,-0.4 -12,-1.4 -0.761 45.7 176.5 -84.4 135.5 -0.7 27.7 0.9 21 21 A A E -AB 6 30A 0 9,-2.8 9,-3.0 -2,-0.4 2,-0.4 -0.970 30.8-129.4-144.8 160.9 -2.7 29.3 -1.9 22 22 A R E -AB 5 29A 98 -17,-2.6 -17,-2.9 -2,-0.3 2,-1.1 -0.919 26.2-123.0-112.9 130.6 -2.5 31.8 -4.7 23 23 A N E > -A 4 0A 26 5,-3.9 4,-2.8 -2,-0.4 -19,-0.3 -0.614 22.5-145.7 -71.5 104.0 -5.0 34.7 -5.2 24 24 A K T 4 S+ 0 0 117 -21,-2.1 -1,-0.2 -2,-1.1 -20,-0.2 0.676 93.3 34.7 -45.4 -19.8 -6.1 33.8 -8.8 25 25 A L T 4 S+ 0 0 135 -22,-0.6 -1,-0.1 3,-0.1 -2,-0.1 0.809 127.2 27.7 -98.5 -83.5 -6.5 37.5 -9.4 26 26 A T T 4 S- 0 0 103 1,-0.2 -2,-0.2 2,-0.0 3,-0.1 0.764 94.5-132.0 -50.6 -29.3 -3.8 39.6 -7.5 27 27 A G < + 0 0 38 -4,-2.8 -1,-0.2 1,-0.3 -3,-0.1 0.447 52.1 157.9 85.6 -0.4 -1.5 36.6 -7.7 28 28 A E - 0 0 101 -5,-0.2 -5,-3.9 -6,-0.1 2,-0.5 -0.274 40.3-131.9 -58.4 141.9 -0.9 37.2 -4.0 29 29 A V E +B 22 0A 60 -7,-0.2 46,-0.6 -3,-0.1 2,-0.3 -0.854 39.4 159.3 -99.9 127.3 0.4 34.2 -2.1 30 30 A V E -BC 21 74A 0 -9,-3.0 -9,-2.8 -2,-0.5 2,-0.5 -0.833 42.9-108.2-140.0 176.1 -1.5 33.6 1.2 31 31 A A E -BC 20 73A 10 42,-2.7 42,-3.1 -2,-0.3 2,-0.5 -0.948 31.4-156.9-108.8 131.4 -2.3 30.9 3.8 32 32 A L E -BC 19 72A 2 -13,-3.8 -13,-2.9 -2,-0.5 2,-0.6 -0.944 1.7-158.6-114.2 119.0 -5.9 29.6 3.6 33 33 A K E -BC 18 71A 1 38,-3.3 38,-2.5 -2,-0.5 2,-0.7 -0.869 6.6-156.4 -98.0 122.6 -7.4 28.0 6.7 34 34 A K E BC 17 70A 75 -17,-2.5 -17,-0.8 -2,-0.6 36,-0.2 -0.875 360.0 360.0-100.5 113.0 -10.4 25.8 6.0 35 35 A I 0 0 73 34,-3.1 34,-1.8 -2,-0.7 -19,-0.2 -0.895 360.0 360.0-104.3 360.0 -12.7 25.4 9.0 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 67 0, 0.0 2,-0.3 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 141.2 -21.2 28.9 11.4 38 45 A P > - 0 0 80 0, 0.0 4,-2.1 0, 0.0 3,-0.3 -0.536 360.0-136.2 -73.7 132.3 -22.1 30.6 14.7 39 46 A S H > S+ 0 0 78 -2,-0.3 4,-2.1 1,-0.3 5,-0.2 0.863 108.4 54.5 -53.9 -38.2 -23.0 34.3 14.3 40 47 A T H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.890 104.6 53.2 -63.8 -40.6 -20.9 34.9 17.4 41 48 A A H > S+ 0 0 15 -3,-0.3 4,-2.8 1,-0.2 5,-0.2 0.937 108.3 51.9 -59.7 -45.6 -18.0 33.2 15.8 42 49 A I H X S+ 0 0 40 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.890 112.3 42.4 -59.2 -46.1 -18.3 35.5 12.8 43 50 A R H X S+ 0 0 169 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.912 114.5 52.2 -68.4 -41.4 -18.3 38.8 14.8 44 51 A E H X S+ 0 0 75 -4,-2.5 4,-0.8 -5,-0.2 -2,-0.2 0.932 116.0 39.8 -58.0 -49.1 -15.5 37.5 17.0 45 52 A I H >X S+ 0 0 17 -4,-2.8 3,-1.0 1,-0.2 4,-0.5 0.921 110.7 56.2 -68.1 -47.8 -13.3 36.6 13.9 46 53 A S H >< S+ 0 0 41 -4,-2.7 3,-1.2 1,-0.3 4,-0.2 0.851 102.6 59.5 -55.0 -32.2 -14.2 39.6 11.9 47 54 A L H >X S+ 0 0 109 -4,-1.8 3,-2.0 1,-0.3 4,-0.5 0.849 93.5 64.5 -63.5 -37.2 -13.0 41.7 14.9 48 55 A L H << S+ 0 0 32 -3,-1.0 11,-0.4 -4,-0.8 3,-0.3 0.657 84.0 75.4 -62.9 -15.9 -9.5 40.1 14.5 49 56 A K T << S+ 0 0 79 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.732 95.4 51.0 -67.9 -20.0 -9.1 41.7 11.1 50 57 A E T <4 S+ 0 0 162 -3,-2.0 2,-2.0 -4,-0.2 -1,-0.2 0.732 85.1 92.1 -86.6 -26.6 -8.5 45.0 13.1 51 58 A L < + 0 0 18 -4,-0.5 2,-0.4 -3,-0.3 8,-0.2 -0.484 58.2 164.0 -72.5 78.4 -5.8 43.5 15.4 52 59 A N + 0 0 75 -2,-2.0 5,-0.1 6,-0.1 -3,-0.0 -0.843 5.4 144.0-107.2 133.3 -2.7 44.4 13.3 53 60 A H > - 0 0 42 3,-0.4 3,-2.1 -2,-0.4 54,-0.0 -0.971 57.0-110.4-159.0 148.9 0.9 44.4 14.5 54 61 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.726 119.2 49.1 -57.8 -23.3 4.2 43.5 12.9 55 62 A N T 3 S+ 0 0 12 80,-0.1 81,-2.6 48,-0.1 2,-0.4 0.173 98.1 79.3-106.2 21.5 4.4 40.4 15.2 56 63 A I B < S-e 136 0B 8 -3,-2.1 -3,-0.4 79,-0.3 2,-0.3 -0.994 86.9-116.5-126.7 128.1 0.9 39.2 14.5 57 64 A V - 0 0 9 79,-2.9 2,-0.2 -2,-0.4 81,-0.1 -0.502 41.9-114.9 -63.9 122.1 0.1 37.2 11.3 58 65 A K - 0 0 81 -2,-0.3 16,-2.2 -4,-0.1 2,-0.9 -0.425 14.0-142.8 -66.7 131.1 -2.4 39.3 9.5 59 66 A L E -D 73 0A 11 -11,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.836 23.5-179.2 -90.2 107.1 -5.9 38.0 9.0 60 67 A L E - 0 0 36 12,-2.4 2,-0.3 -2,-0.9 13,-0.2 0.913 54.4 -12.1 -76.0 -48.8 -6.6 39.3 5.5 61 68 A D E -D 72 0A 87 11,-1.6 11,-3.1 2,-0.0 2,-0.4 -0.993 48.4-137.6-154.6 161.1 -10.1 38.1 4.9 62 69 A V E -D 71 0A 29 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.987 17.5-166.7-122.4 130.1 -12.9 35.9 6.1 63 70 A I E -D 70 0A 43 7,-3.2 7,-3.1 -2,-0.4 2,-0.6 -0.941 5.5-177.8-123.5 112.9 -15.0 33.9 3.6 64 71 A H E +D 69 0A 81 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.928 19.0 155.9-110.2 110.1 -18.2 32.3 4.7 65 72 A T E > -D 68 0A 61 3,-2.4 3,-3.4 -2,-0.6 -2,-0.1 -0.999 65.9 -6.4-141.2 135.3 -19.8 30.3 2.0 66 73 A E T 3 S- 0 0 184 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.828 127.2 -62.1 51.8 31.8 -22.3 27.4 2.0 67 74 A N T 3 S+ 0 0 131 1,-0.3 2,-0.3 -30,-0.0 -1,-0.3 0.533 112.2 126.1 72.4 6.1 -21.7 27.5 5.8 68 75 A K E < - D 0 65A 72 -3,-3.4 -3,-2.4 -31,-0.1 2,-0.5 -0.727 52.1-143.8 -93.3 144.2 -18.0 26.7 5.2 69 76 A L E - D 0 64A 12 -34,-1.8 -34,-3.1 -2,-0.3 2,-0.5 -0.944 16.8-176.7-120.2 119.5 -15.5 29.1 6.7 70 77 A Y E -CD 34 63A 25 -7,-3.1 -7,-3.2 -2,-0.5 2,-0.5 -0.935 8.9-160.4-113.3 130.7 -12.2 30.1 5.1 71 78 A L E -CD 33 62A 15 -38,-2.5 -38,-3.3 -2,-0.5 2,-0.6 -0.940 8.4-152.7-111.6 126.1 -9.8 32.4 6.9 72 79 A V E +CD 32 61A 3 -11,-3.1 -12,-2.4 -2,-0.5 -11,-1.6 -0.900 21.2 176.9-103.6 117.3 -7.2 34.1 4.6 73 80 A F E -CD 31 59A 22 -42,-3.1 -42,-2.7 -2,-0.6 -14,-0.2 -0.804 38.1 -92.6-117.5 161.8 -3.9 35.0 6.3 74 81 A E E -C 30 0A 49 -16,-2.2 2,-0.4 -2,-0.3 -44,-0.2 -0.358 50.1-120.1 -62.7 145.4 -0.6 36.5 5.3 75 82 A F - 0 0 34 -46,-0.6 2,-0.3 -45,-0.1 -1,-0.1 -0.781 27.1-170.8 -95.5 139.4 1.8 33.7 4.3 76 83 A L - 0 0 15 -2,-0.4 53,-0.1 1,-0.1 52,-0.0 -0.963 25.4-128.6-126.0 145.7 5.2 33.1 6.1 77 84 A H S S+ 0 0 102 -2,-0.3 2,-0.3 51,-0.2 52,-0.2 0.744 81.3 16.1 -70.3 -25.0 7.8 30.7 4.9 78 85 A Q E -F 128 0B 30 50,-1.5 50,-2.8 199,-0.1 2,-0.3 -0.992 62.2-136.1-148.4 154.8 8.4 28.6 7.9 79 86 A D E > -F 127 0B 21 -2,-0.3 4,-2.3 48,-0.2 48,-0.3 -0.732 31.8-113.4-105.5 160.7 7.0 27.8 11.4 80 87 A L H > S+ 0 0 0 46,-3.1 4,-2.5 43,-1.0 44,-0.2 0.820 113.3 57.8 -64.3 -30.8 8.9 27.6 14.6 81 88 A K H > S+ 0 0 87 42,-0.6 4,-2.5 45,-0.3 5,-0.2 0.974 109.9 42.8 -63.9 -51.5 8.4 23.8 15.0 82 89 A K H > S+ 0 0 126 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.909 115.1 51.6 -59.5 -41.5 10.0 23.1 11.6 83 90 A F H X S+ 0 0 8 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.889 110.0 48.8 -64.4 -38.5 12.8 25.6 12.4 84 91 A M H < S+ 0 0 20 -4,-2.5 3,-0.3 2,-0.2 -1,-0.2 0.918 112.1 47.8 -66.9 -41.7 13.5 24.0 15.7 85 92 A D H >< S+ 0 0 96 -4,-2.5 3,-1.3 1,-0.2 4,-0.3 0.909 112.4 50.0 -63.9 -41.5 13.6 20.5 14.2 86 93 A A H 3< S+ 0 0 79 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.712 113.0 46.9 -69.2 -20.2 15.9 21.8 11.5 87 94 A S T 3X S+ 0 0 15 -4,-1.1 4,-3.9 -3,-0.3 -1,-0.3 0.213 81.3 109.6-104.4 11.0 18.1 23.4 14.2 88 95 A A T <4 S+ 0 0 48 -3,-1.3 -1,-0.1 1,-0.2 -2,-0.1 0.867 74.7 48.8 -55.1 -47.4 18.1 20.3 16.4 89 96 A L T 4 S+ 0 0 173 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.843 131.2 17.3 -64.4 -36.5 21.8 19.3 15.8 90 97 A T T 4 S- 0 0 104 -3,-0.2 -2,-0.2 -4,-0.1 -1,-0.2 0.668 100.3-133.3-109.7 -27.5 23.1 22.8 16.5 91 98 A G < - 0 0 9 -4,-3.9 -3,-0.1 -7,-0.2 85,-0.1 0.163 35.3 -68.5 83.5 154.7 20.4 24.6 18.3 92 99 A I - 0 0 14 83,-0.5 5,-0.1 1,-0.1 86,-0.0 -0.653 62.0-102.8 -77.8 131.9 19.1 28.1 17.6 93 100 A P >> - 0 0 79 0, 0.0 4,-2.2 0, 0.0 3,-0.8 -0.253 26.4-121.9 -55.6 138.4 21.7 30.7 18.6 94 101 A L H 3> S+ 0 0 62 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.872 111.3 57.4 -51.0 -43.2 20.9 32.4 21.9 95 102 A P H 3> S+ 0 0 69 0, 0.0 4,-2.1 0, 0.0 174,-0.4 0.896 110.3 44.9 -57.0 -36.3 20.9 35.9 20.3 96 103 A L H <> S+ 0 0 3 -3,-0.8 4,-3.2 2,-0.2 5,-0.2 0.896 110.9 52.2 -73.5 -41.9 18.2 34.7 17.9 97 104 A I H X S+ 0 0 4 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.946 111.6 48.6 -57.3 -45.6 16.2 33.0 20.7 98 105 A K H X S+ 0 0 13 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.907 110.7 49.0 -62.3 -42.9 16.4 36.3 22.6 99 106 A S H X S+ 0 0 4 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.948 112.3 48.9 -62.8 -45.4 15.2 38.3 19.5 100 107 A Y H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.934 111.9 48.5 -60.0 -46.7 12.3 35.9 18.9 101 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.936 111.4 50.0 -59.8 -45.5 11.2 36.0 22.6 102 109 A F H X S+ 0 0 54 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.942 112.3 47.4 -58.1 -48.8 11.4 39.8 22.6 103 110 A Q H X S+ 0 0 10 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.903 112.0 49.1 -60.9 -45.2 9.3 40.1 19.4 104 111 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 -1,-0.2 0.891 108.8 53.1 -65.0 -35.1 6.7 37.6 20.6 105 112 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 -5,-0.2 -2,-0.2 0.900 108.2 50.7 -66.3 -37.1 6.4 39.5 23.9 106 113 A Q H X S+ 0 0 63 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.930 110.9 50.3 -64.3 -41.1 5.8 42.8 21.9 107 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.946 114.5 42.3 -59.2 -52.4 3.0 40.8 20.0 108 115 A L H X S+ 0 0 0 -4,-2.9 4,-3.6 2,-0.2 5,-0.3 0.914 110.1 56.2 -62.0 -45.4 1.4 39.6 23.2 109 116 A A H X S+ 0 0 20 -4,-3.1 4,-1.9 -5,-0.2 -1,-0.2 0.923 111.4 46.4 -52.7 -42.8 1.8 43.1 24.9 110 117 A F H X S+ 0 0 48 -4,-2.1 4,-0.7 -5,-0.2 -2,-0.2 0.967 116.1 42.4 -64.1 -53.5 -0.2 44.5 21.9 111 118 A C H ><>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 3,-1.5 0.929 113.4 51.6 -58.9 -50.8 -2.9 41.8 21.9 112 119 A H H ><5S+ 0 0 16 -4,-3.6 3,-2.0 1,-0.3 -1,-0.2 0.857 103.0 59.6 -57.9 -34.6 -3.3 41.8 25.6 113 120 A S H 3<5S+ 0 0 82 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.719 107.3 47.5 -67.2 -20.8 -3.6 45.7 25.6 114 121 A H T <<5S- 0 0 102 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.182 121.0-112.8-102.0 13.9 -6.7 45.1 23.4 115 122 A R T < 5S+ 0 0 167 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.817 72.8 138.2 58.3 35.0 -8.0 42.4 25.7 116 123 A V < - 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