==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-JAN-10 3LFS . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.K.DREYER,K.U.WENDT,S.SCHIMANSKI-BREVES,P.LOENZE . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 60.3 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 . 42 14.5 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 . 16 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 25.2 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 3 0 0 1 0 1 1 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 0 2 2 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 46 0, 0.0 3,-0.7 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 146.1 28.0 -21.6 23.8 2 2 A E T 3 + 0 0 136 1,-0.2 22,-0.0 3,-0.1 0, 0.0 0.813 360.0 56.6 -67.3 -41.0 27.7 -25.2 22.5 3 3 A N T 3 S+ 0 0 74 20,-0.1 21,-3.7 21,-0.1 22,-0.4 0.545 103.7 70.8 -73.1 -5.9 30.0 -24.8 19.4 4 4 A F E < -A 23 0A 18 -3,-0.7 2,-0.5 19,-0.2 19,-0.2 -0.883 64.1-154.2-117.4 144.2 32.9 -23.7 21.8 5 5 A Q E -A 22 0A 89 17,-2.8 17,-2.3 -2,-0.3 2,-0.1 -0.980 25.5-134.7-113.7 115.3 35.0 -25.4 24.4 6 6 A K E -A 21 0A 87 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.470 20.6-176.0 -68.4 140.4 36.3 -23.0 27.1 7 7 A V E - 0 0 68 13,-3.3 2,-0.3 1,-0.4 14,-0.2 0.791 62.2 -32.7-104.4 -41.6 40.0 -23.3 28.0 8 8 A E E -A 20 0A 122 12,-1.0 12,-2.5 0, 0.0 2,-0.6 -0.954 62.0 -90.9-172.6 158.4 40.3 -20.7 30.8 9 9 A K E -A 19 0A 131 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.726 39.4-177.6 -78.2 115.0 39.0 -17.4 32.1 10 10 A I E - 0 0 72 8,-1.9 2,-0.3 -2,-0.6 9,-0.2 0.362 52.6 -40.9 -99.6 2.5 41.4 -14.8 30.6 11 11 A G E -A 18 0A 29 7,-1.0 7,-2.2 2,-0.0 2,-0.4 -0.912 52.2 -90.0 157.4 175.1 40.0 -11.6 32.1 12 12 A E E -A 17 0A 76 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.988 38.5-163.5-120.7 119.0 37.2 -9.3 33.2 13 13 A G - 0 0 11 3,-1.6 139,-0.4 -2,-0.4 140,-0.3 -0.159 36.3 -99.7 -90.5-171.9 35.8 -6.8 30.7 14 14 A T S S+ 0 0 21 137,-0.2 138,-1.0 138,-0.1 139,-0.1 0.905 122.4 22.1 -73.9 -42.0 33.7 -3.6 31.1 15 15 A Y S S- 0 0 32 1,-0.2 21,-0.8 136,-0.2 2,-0.3 0.739 128.7 -21.5 -98.1 -32.9 30.5 -5.6 30.1 16 16 A G E S- B 0 35A 2 19,-0.2 -3,-1.6 137,-0.0 -1,-0.2 -0.988 76.1 -53.2-170.2 175.6 31.3 -9.2 30.8 17 17 A V E -AB 12 34A 19 17,-0.7 17,-2.3 -2,-0.3 2,-0.5 -0.329 41.5-146.1 -62.8 138.1 33.7 -12.2 31.3 18 18 A V E -AB 11 33A 31 -7,-2.2 -8,-1.9 15,-0.2 -7,-1.0 -0.937 20.0-176.9-112.4 122.7 36.4 -12.9 28.7 19 19 A Y E -AB 9 32A 42 13,-2.6 13,-3.6 -2,-0.5 2,-0.6 -0.893 29.5-127.8-117.5 152.5 37.3 -16.6 28.0 20 20 A K E +AB 8 31A 49 -12,-2.5 -13,-3.3 -2,-0.3 -12,-1.0 -0.889 46.5 174.3 -94.7 119.8 39.9 -18.3 25.7 21 21 A A E -AB 6 30A 0 9,-2.6 9,-3.2 -2,-0.6 2,-0.4 -0.871 29.8-139.0-130.1 164.7 37.9 -20.8 23.7 22 22 A R E -AB 5 29A 111 -17,-2.3 -17,-2.8 -2,-0.3 2,-0.3 -0.992 23.7-124.4-124.3 132.4 38.2 -23.4 20.9 23 23 A N E > -A 4 0A 29 5,-2.1 4,-1.4 -2,-0.4 -19,-0.2 -0.581 12.6-147.6 -73.6 130.9 35.6 -23.9 18.1 24 24 A K T 4 S+ 0 0 137 -21,-3.7 -1,-0.1 -2,-0.3 -20,-0.1 0.783 94.9 38.7 -72.5 -27.4 34.4 -27.5 17.9 25 25 A L T 4 S+ 0 0 126 -22,-0.4 -1,-0.1 3,-0.1 -21,-0.1 0.917 128.4 27.0 -88.2 -48.3 33.8 -27.4 14.1 26 26 A T T 4 S- 0 0 94 2,-0.1 -2,-0.1 1,-0.0 3,-0.1 0.729 90.1-135.7 -86.2 -27.3 36.8 -25.3 12.8 27 27 A G < + 0 0 33 -4,-1.4 2,-0.3 1,-0.3 -3,-0.1 0.431 52.9 147.4 82.0 2.9 39.3 -26.0 15.6 28 28 A E - 0 0 114 -6,-0.1 -5,-2.1 1,-0.1 2,-0.3 -0.560 48.9-127.5 -78.0 130.7 40.2 -22.3 15.8 29 29 A V E +B 22 0A 44 -2,-0.3 46,-0.6 -7,-0.2 2,-0.2 -0.602 39.5 172.0 -76.4 131.4 41.3 -20.7 19.1 30 30 A V E -BC 21 74A 5 -9,-3.2 -9,-2.6 -2,-0.3 2,-0.5 -0.820 39.0-112.5-136.1 167.0 39.2 -17.6 19.9 31 31 A A E -BC 20 73A 12 42,-2.3 42,-2.8 -2,-0.2 2,-0.6 -0.971 34.9-156.4-106.8 118.6 38.5 -15.0 22.7 32 32 A L E -BC 19 72A 1 -13,-3.6 -13,-2.6 -2,-0.5 2,-0.4 -0.902 7.7-168.0-106.7 113.2 34.9 -15.5 23.8 33 33 A K E -BC 18 71A 6 38,-3.1 38,-3.1 -2,-0.6 2,-0.5 -0.860 1.7-164.0-102.0 129.1 33.2 -12.5 25.5 34 34 A K E -BC 17 70A 46 -17,-2.3 -17,-0.7 -2,-0.4 2,-0.4 -0.946 3.9-158.3-121.6 111.6 29.8 -13.0 27.4 35 35 A I E BC 16 69A 14 34,-3.5 34,-1.8 -2,-0.5 -19,-0.2 -0.788 360.0 360.0 -92.2 127.0 27.6 -9.9 28.2 36 36 A R 0 0 173 -21,-0.8 32,-0.1 -2,-0.4 -19,-0.1 -0.521 360.0 360.0 65.8 360.0 25.0 -10.1 31.1 37 ! 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 38 45 A P > 0 0 129 0, 0.0 4,-0.8 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 161.3 17.7 -3.4 23.0 39 46 A S H > + 0 0 79 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.804 360.0 60.2 -71.7 -33.4 17.4 -4.0 19.3 40 47 A T H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.821 101.1 53.3 -63.9 -37.6 19.5 -0.9 18.4 41 48 A A H > S+ 0 0 5 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.849 108.0 52.6 -65.5 -36.2 22.5 -2.2 20.4 42 49 A I H X S+ 0 0 45 -4,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.923 109.4 47.4 -64.5 -49.3 22.3 -5.4 18.3 43 50 A R H X S+ 0 0 152 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.937 110.5 53.7 -57.1 -50.7 22.3 -3.4 15.0 44 51 A E H X S+ 0 0 61 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.800 112.6 41.4 -53.3 -44.6 25.4 -1.4 16.2 45 52 A I H >< S+ 0 0 0 -4,-1.6 3,-0.7 1,-0.2 4,-0.4 0.852 109.6 59.2 -76.3 -34.6 27.5 -4.4 17.0 46 53 A S H >< S+ 0 0 42 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.773 100.9 56.0 -63.7 -29.1 26.4 -6.3 13.8 47 54 A L H >< S+ 0 0 109 -4,-1.4 3,-1.4 1,-0.2 -1,-0.2 0.790 96.5 65.8 -71.7 -29.4 27.8 -3.4 11.7 48 55 A L G X< S+ 0 0 19 -3,-0.7 3,-1.1 -4,-0.6 11,-0.4 0.632 81.8 75.4 -68.7 -17.0 31.2 -3.9 13.4 49 56 A K G < S+ 0 0 64 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.610 100.1 46.6 -66.6 -15.5 31.6 -7.4 11.7 50 57 A E G < S+ 0 0 151 -3,-1.4 2,-1.4 -4,-0.1 -1,-0.2 0.332 83.4 95.5-108.1 -2.8 32.4 -5.3 8.5 51 58 A L < + 0 0 19 -3,-1.1 2,-0.4 -4,-0.1 8,-0.1 -0.594 60.1 167.6 -90.6 68.9 34.9 -2.9 10.1 52 59 A N + 0 0 76 -2,-1.4 5,-0.1 6,-0.1 6,-0.0 -0.794 7.9 138.9 -98.3 129.9 38.0 -5.0 9.1 53 60 A H > - 0 0 50 -2,-0.4 3,-2.1 3,-0.4 54,-0.0 -0.946 58.6-110.5-160.3 144.2 41.7 -3.7 9.1 54 61 A P T 3 S+ 0 0 97 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.706 118.1 49.6 -52.2 -24.1 45.1 -5.3 10.2 55 62 A N T 3 S+ 0 0 11 80,-0.1 81,-1.9 51,-0.1 2,-0.4 0.184 98.2 79.0-103.4 17.2 45.3 -3.0 13.3 56 63 A I B < S-e 136 0B 13 -3,-2.1 -3,-0.4 79,-0.3 2,-0.2 -0.990 88.3-112.3-125.4 128.6 41.7 -3.7 14.6 57 64 A V - 0 0 13 79,-2.5 2,-0.3 -2,-0.4 82,-0.1 -0.471 43.7-112.5 -61.5 123.4 40.9 -6.9 16.6 58 65 A K - 0 0 105 -2,-0.2 16,-1.5 -4,-0.1 2,-1.0 -0.483 14.2-143.6 -67.9 127.9 38.5 -9.0 14.3 59 66 A L E +D 73 0A 14 -11,-0.4 14,-0.2 -2,-0.3 3,-0.1 -0.827 23.8 178.9 -89.5 96.4 34.9 -9.4 15.4 60 67 A L E - 0 0 60 12,-1.9 2,-0.3 -2,-1.0 -1,-0.2 0.876 58.5 -9.2 -69.5 -43.0 34.4 -13.0 14.1 61 68 A D E -D 72 0A 82 11,-1.4 11,-2.3 -3,-0.1 2,-0.4 -0.987 47.1-146.2-158.6 159.4 30.8 -13.4 15.3 62 69 A V E -D 71 0A 21 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.986 22.7-172.2-130.7 112.1 27.8 -11.9 17.3 63 70 A I E -D 70 0A 34 7,-2.4 7,-2.7 -2,-0.4 2,-0.6 -0.952 9.6-172.7-116.9 120.9 25.5 -14.5 19.0 64 71 A H E +D 69 0A 95 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.937 25.7 151.4-113.3 103.4 22.3 -13.6 20.8 65 72 A T E > -D 68 0A 39 3,-1.7 3,-1.8 -2,-0.6 -2,-0.0 -0.965 60.7 -1.4-134.9 152.4 20.8 -16.6 22.7 66 73 A E T 3 S- 0 0 149 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.747 128.2 -59.8 36.2 38.9 18.6 -17.2 25.8 67 74 A N T 3 S+ 0 0 133 1,-0.2 2,-0.3 -31,-0.0 -1,-0.3 0.861 113.3 109.0 57.7 48.8 18.6 -13.4 26.2 68 75 A K E < - D 0 65A 72 -3,-1.8 -3,-1.7 -32,-0.1 2,-0.5 -0.989 63.8-121.2-149.1 141.4 22.5 -13.0 26.6 69 76 A L E -CD 35 64A 2 -34,-1.8 -34,-3.5 -2,-0.3 2,-0.4 -0.778 22.0-172.7 -94.6 125.8 25.2 -11.5 24.3 70 77 A Y E -CD 34 63A 16 -7,-2.7 -7,-2.4 -2,-0.5 2,-0.5 -0.934 3.3-166.3-113.1 129.0 28.2 -13.5 23.1 71 78 A L E -CD 33 62A 0 -38,-3.1 -38,-3.1 -2,-0.4 2,-0.6 -0.979 6.0-156.6-121.7 121.0 31.1 -11.9 21.1 72 79 A V E +CD 32 61A 6 -11,-2.3 -12,-1.9 -2,-0.5 -11,-1.4 -0.872 21.4 176.9 -98.9 116.8 33.7 -14.0 19.2 73 80 A F E -CD 31 59A 18 -42,-2.8 -42,-2.3 -2,-0.6 -14,-0.2 -0.807 36.5 -95.9-119.3 160.8 37.1 -12.3 18.7 74 81 A E E -C 30 0A 55 -16,-1.5 2,-0.4 -2,-0.3 -44,-0.2 -0.485 48.9-116.6 -71.3 140.6 40.5 -13.2 17.2 75 82 A F + 0 0 37 -46,-0.6 2,-0.4 -2,-0.1 -1,-0.1 -0.708 32.1 180.0 -87.5 135.7 42.9 -14.3 19.9 76 83 A L - 0 0 18 -2,-0.4 53,-0.1 1,-0.0 52,-0.0 -0.987 26.8-134.5-132.1 134.9 46.1 -12.4 20.8 77 84 A H S S+ 0 0 102 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.699 75.9 17.2 -65.4 -28.2 48.5 -13.6 23.6 78 85 A Q E -F 128 0B 25 50,-1.2 50,-2.4 213,-0.1 2,-0.2 -0.967 59.6-135.5-147.5 161.4 49.2 -10.4 25.5 79 86 A D E > -F 127 0B 27 -2,-0.3 4,-1.5 48,-0.3 48,-0.2 -0.745 31.4-113.2-111.2 161.5 48.1 -6.8 26.2 80 87 A L H > S+ 0 0 0 46,-2.3 4,-2.7 43,-1.1 44,-0.2 0.796 112.2 63.0 -63.5 -36.1 50.2 -3.5 26.4 81 88 A K H > S+ 0 0 89 42,-0.9 4,-1.2 45,-0.3 -1,-0.2 0.945 108.4 42.2 -55.0 -49.7 49.5 -3.0 30.1 82 89 A K H > S+ 0 0 108 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.826 113.4 52.9 -64.7 -40.5 51.4 -6.4 30.9 83 90 A F H X S+ 0 0 11 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.921 107.9 51.0 -63.1 -43.9 54.1 -5.6 28.3 84 91 A M H < S+ 0 0 22 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.770 111.0 48.6 -62.0 -35.1 54.8 -2.2 30.0 85 92 A D H >< S+ 0 0 92 -4,-1.2 3,-0.9 -5,-0.2 4,-0.2 0.878 112.3 47.0 -74.0 -42.3 55.1 -3.8 33.5 86 93 A A H 3< S+ 0 0 79 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.838 118.3 42.7 -66.1 -35.7 57.5 -6.5 32.3 87 94 A S T 3X S+ 0 0 7 -4,-2.1 4,-3.1 1,-0.2 3,-0.4 0.193 85.0 108.8 -94.3 11.4 59.6 -3.8 30.5 88 95 A A T <4 S+ 0 0 39 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.783 76.3 46.7 -61.1 -35.7 59.4 -1.3 33.4 89 96 A L T 4 S+ 0 0 154 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.751 128.0 24.9 -81.5 -25.2 63.0 -1.6 34.6 90 97 A T T 4 S- 0 0 112 -3,-0.4 -2,-0.2 -4,-0.1 -1,-0.1 0.711 103.8-130.4-106.5 -33.2 64.6 -1.2 31.1 91 98 A G < - 0 0 15 -4,-3.1 -3,-0.1 -7,-0.1 99,-0.1 0.086 30.6 -73.8 90.9 155.0 61.9 0.7 29.2 92 99 A I - 0 0 13 97,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.710 60.9-105.6 -80.7 127.9 60.4 -0.2 25.8 93 100 A P >> - 0 0 80 0, 0.0 4,-1.9 0, 0.0 3,-1.1 -0.301 24.9-118.5 -58.0 140.2 63.0 0.7 23.1 94 101 A L H 3> S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.836 112.3 56.4 -46.1 -46.8 62.2 3.9 21.1 95 102 A P H 3> S+ 0 0 66 0, 0.0 4,-1.7 0, 0.0 188,-0.4 0.846 111.2 45.0 -56.2 -34.7 62.0 2.0 17.6 96 103 A L H <> S+ 0 0 10 -3,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.875 111.6 51.1 -73.0 -43.9 59.3 -0.3 19.1 97 104 A I H X S+ 0 0 7 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.908 112.4 48.6 -57.3 -47.0 57.4 2.6 20.8 98 105 A K H X S+ 0 0 16 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.892 111.7 47.7 -60.0 -49.1 57.4 4.4 17.4 99 106 A S H X S+ 0 0 3 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.865 111.8 49.9 -61.6 -44.1 56.1 1.3 15.4 100 107 A Y H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.930 113.4 46.0 -61.9 -46.9 53.3 0.7 17.9 101 108 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.917 112.6 51.3 -62.3 -44.3 52.2 4.4 17.7 102 109 A F H X S+ 0 0 61 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.884 114.5 42.9 -56.3 -47.2 52.4 4.3 13.9 103 110 A Q H X S+ 0 0 13 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.823 113.4 51.1 -70.9 -39.0 50.3 1.1 13.7 104 111 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.932 109.3 51.1 -64.1 -44.7 47.8 2.4 16.3 105 112 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.753 108.6 53.0 -60.9 -31.3 47.4 5.7 14.3 106 113 A Q H X S+ 0 0 61 -4,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.858 109.2 48.2 -72.1 -40.7 46.7 3.5 11.2 107 114 A G H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.936 114.4 45.6 -63.4 -50.3 44.0 1.6 13.1 108 115 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.924 109.2 55.3 -58.5 -50.9 42.4 4.9 14.3 109 116 A A H X S+ 0 0 25 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.856 109.1 48.3 -52.3 -42.2 42.6 6.5 10.8 110 117 A F H X S+ 0 0 47 -4,-1.6 4,-0.5 2,-0.2 3,-0.3 0.919 116.0 41.9 -63.9 -51.3 40.6 3.6 9.2 111 118 A C H ><>S+ 0 0 0 -4,-1.8 5,-2.2 1,-0.2 3,-1.6 0.926 112.0 53.1 -63.9 -48.5 37.8 3.6 11.9 112 119 A H H ><5S+ 0 0 29 -4,-3.1 3,-0.7 1,-0.3 -1,-0.2 0.674 103.2 60.9 -60.8 -21.3 37.5 7.5 12.0 113 120 A S H 3<5S+ 0 0 66 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.680 105.0 46.7 -77.0 -23.2 37.1 7.3 8.2 114 121 A H T <<5S- 0 0 94 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.093 124.3-107.0-104.5 20.8 33.9 5.2 8.7 115 122 A R T < 5S+ 0 0 191 -3,-0.7 2,-0.4 1,-0.2 -3,-0.2 0.778 77.3 137.6 56.6 35.9 32.7 7.7 11.4 116 123 A V < - 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