==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-NOV-01 1KE9 . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.N.BRAMSON,J.CORONA,S.T.DAVIS,S.H.DICKERSON,M.EDELSTEIN, . 281 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14325.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 62.6 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 . 39 13.9 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 . 19 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 26.7 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+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 4 0 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 1 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 57 0, 0.0 3,-0.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -20.3 -20.1 50.5 26.5 2 2 A E + 0 0 175 1,-0.2 0, 0.0 3,-0.1 0, 0.0 0.704 360.0 59.6 -85.7 -23.5 -23.9 50.9 26.9 3 3 A N S S+ 0 0 104 21,-0.1 21,-3.0 20,-0.0 2,-0.4 0.326 96.2 78.2 -87.2 6.9 -23.9 53.8 24.4 4 4 A F E -A 23 0A 20 -3,-0.5 2,-1.2 19,-0.2 19,-0.2 -0.970 63.3-153.4-126.3 131.3 -22.5 51.7 21.6 5 5 A Q E -A 22 0A 90 17,-2.1 17,-0.7 -2,-0.4 -3,-0.1 -0.694 28.9-140.0 -97.5 79.9 -24.2 49.2 19.4 6 6 A K E -A 21 0A 111 -2,-1.2 15,-0.2 -5,-0.2 3,-0.1 -0.126 22.1-176.2 -43.0 122.2 -21.3 46.9 18.5 7 7 A V E - 0 0 66 13,-2.5 2,-0.3 1,-0.4 14,-0.2 0.929 58.8 -18.0 -87.8 -61.4 -21.6 46.0 14.8 8 8 A E E -A 20 0A 128 12,-1.2 12,-2.4 3,-0.0 2,-0.8 -0.960 64.9-103.4-145.5 161.6 -18.7 43.6 14.2 9 9 A K E -A 19 0A 92 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.807 28.9-169.0 -90.1 113.3 -15.5 42.6 15.7 10 10 A I E - 0 0 83 8,-1.8 9,-0.2 -2,-0.8 2,-0.2 0.641 53.9 -75.3 -77.8 -16.2 -12.8 44.3 13.6 11 11 A G E -A 18 0A 18 7,-1.2 7,-3.0 -3,-0.1 2,-0.3 -0.549 43.2 -80.5 136.7 158.1 -10.0 42.3 15.2 12 12 A E E -A 17 0A 124 5,-0.2 5,-0.3 -2,-0.2 2,-0.2 -0.667 42.7-169.2 -91.1 145.7 -7.7 41.8 18.3 13 13 A G - 0 0 36 3,-3.0 3,-0.5 -2,-0.3 -2,-0.0 -0.637 41.9 -88.3-124.5-176.7 -4.7 43.9 18.9 14 14 A T S S+ 0 0 80 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.765 129.0 28.0 -64.5 -24.8 -1.6 44.1 21.1 15 15 A Y S S- 0 0 58 1,-0.3 21,-2.8 21,-0.1 2,-0.3 0.316 128.5 -46.1-120.4 7.6 -3.7 46.0 23.6 16 16 A G E - B 0 35A 7 -3,-0.5 -3,-3.0 19,-0.3 2,-0.4 -0.916 66.8 -54.3 153.9 179.3 -7.2 44.9 23.0 17 17 A V E -AB 12 34A 25 17,-1.0 17,-2.6 -2,-0.3 2,-0.4 -0.742 40.9-152.7 -94.5 137.8 -10.2 44.0 20.8 18 18 A V E -AB 11 33A 29 -7,-3.0 -8,-1.8 -2,-0.4 -7,-1.2 -0.907 12.5-173.7-110.3 139.6 -11.4 46.6 18.3 19 19 A Y E -AB 9 32A 50 13,-2.5 13,-2.5 -2,-0.4 2,-0.6 -0.913 31.1-121.4-128.1 148.2 -15.0 46.7 17.1 20 20 A K E +AB 8 31A 54 -12,-2.4 -13,-2.5 -2,-0.3 -12,-1.2 -0.844 50.3 175.7 -87.6 128.1 -16.8 48.7 14.4 21 21 A A E -AB 6 30A 0 9,-2.4 9,-3.1 -2,-0.6 2,-0.5 -0.990 30.6-136.7-140.1 150.8 -19.4 50.3 16.6 22 22 A R E -AB 5 29A 92 -17,-0.7 -17,-2.1 -2,-0.3 2,-0.3 -0.935 24.1-127.3-112.5 120.7 -22.1 52.9 16.1 23 23 A N E > -A 4 0A 32 5,-2.7 4,-2.8 -2,-0.5 -19,-0.2 -0.504 14.1-150.9 -65.8 125.7 -22.6 55.6 18.8 24 24 A K T 4 S+ 0 0 117 -21,-3.0 -1,-0.1 -2,-0.3 -20,-0.1 0.962 91.5 44.1 -64.6 -54.0 -26.2 55.7 19.9 25 25 A L T 4 S+ 0 0 92 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.824 130.9 23.9 -62.6 -31.9 -26.4 59.3 20.9 26 26 A T T 4 S- 0 0 100 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.704 86.5-138.6-109.5 -22.5 -24.6 60.5 17.8 27 27 A G < + 0 0 43 -4,-2.8 -3,-0.1 1,-0.3 -2,-0.1 0.197 54.7 140.3 82.8 -18.8 -25.1 57.9 15.1 28 28 A E - 0 0 128 -6,-0.1 -5,-2.7 1,-0.1 2,-0.4 -0.243 54.8-122.5 -60.1 143.5 -21.4 58.3 14.1 29 29 A V E +B 22 0A 37 -7,-0.2 47,-0.5 -3,-0.1 2,-0.3 -0.783 40.8 171.4 -89.1 127.4 -19.5 55.1 13.2 30 30 A V E -BC 21 75A 5 -9,-3.1 -9,-2.4 -2,-0.4 2,-0.6 -0.823 38.7-113.8-133.5 169.4 -16.3 54.7 15.3 31 31 A A E -BC 20 74A 14 43,-3.2 43,-3.5 -2,-0.3 2,-0.6 -0.962 36.2-158.8-107.5 115.4 -13.6 52.1 16.0 32 32 A L E -BC 19 73A 2 -13,-2.5 -13,-2.5 -2,-0.6 2,-0.5 -0.913 5.5-165.2-105.3 129.0 -14.0 51.0 19.7 33 33 A K E -BC 18 72A 5 39,-4.1 39,-3.8 -2,-0.6 2,-0.8 -0.901 9.4-156.3-118.3 119.9 -11.2 49.6 21.4 34 34 A K E -BC 17 71A 67 -17,-2.6 -17,-1.0 -2,-0.5 37,-0.2 -0.843 24.2-133.9 -95.9 109.8 -11.5 47.7 24.7 35 35 A I E B 16 0A 21 35,-1.2 35,-0.5 -2,-0.8 -19,-0.3 -0.438 360.0 360.0 -66.4 130.9 -8.1 47.8 26.4 36 36 A R 0 0 123 -21,-2.8 -1,-0.1 -2,-0.2 -20,-0.1 0.972 360.0 360.0 -70.4 360.0 -7.0 44.4 27.8 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 44 A V 0 0 66 0, 0.0 5,-0.0 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 139.4 -6.2 50.5 35.0 39 45 A P > - 0 0 87 0, 0.0 4,-1.2 0, 0.0 0, 0.0 -0.083 360.0-126.6 -48.2 155.5 -2.9 52.1 36.2 40 46 A S H > S+ 0 0 69 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.841 106.7 57.6 -75.4 -39.9 -2.8 55.9 36.6 41 47 A T H > S+ 0 0 76 1,-0.2 4,-2.9 2,-0.2 3,-0.3 0.970 104.1 53.8 -53.5 -54.1 0.3 56.4 34.4 42 48 A A H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.870 105.2 52.9 -48.7 -48.5 -1.6 54.8 31.5 43 49 A I H X S+ 0 0 41 -4,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.936 112.7 44.1 -56.7 -46.8 -4.6 57.1 31.8 44 50 A R H X S+ 0 0 173 -4,-1.9 4,-1.2 -3,-0.3 -2,-0.2 0.922 112.5 53.3 -64.7 -42.3 -2.3 60.1 31.6 45 51 A E H >X S+ 0 0 77 -4,-2.9 4,-1.3 1,-0.2 3,-0.8 0.937 112.0 44.3 -54.0 -55.2 -0.3 58.6 28.8 46 52 A I H 3X S+ 0 0 0 -4,-3.0 4,-1.1 1,-0.2 3,-0.4 0.914 106.7 60.9 -58.7 -44.8 -3.4 58.0 26.7 47 53 A S H 3< S+ 0 0 48 -4,-2.5 4,-0.4 -5,-0.3 -1,-0.2 0.748 101.0 53.4 -60.7 -21.8 -4.8 61.4 27.5 48 54 A L H X< S+ 0 0 104 -4,-1.2 3,-1.4 -3,-0.8 -1,-0.2 0.907 103.5 57.8 -77.0 -39.2 -1.7 63.1 25.9 49 55 A L H >< S+ 0 0 9 -4,-1.3 3,-1.3 -3,-0.4 11,-0.4 0.751 93.5 68.6 -60.9 -24.6 -2.4 61.0 22.7 50 56 A K T 3< S+ 0 0 65 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.794 100.1 47.2 -66.7 -28.5 -5.9 62.5 22.5 51 57 A E T < S+ 0 0 134 -3,-1.4 2,-1.3 -4,-0.4 -1,-0.3 0.327 85.4 102.6 -96.7 7.5 -4.5 65.9 21.7 52 58 A L < + 0 0 4 -3,-1.3 2,-0.5 -4,-0.2 8,-0.2 -0.701 53.1 173.1 -93.7 86.8 -2.1 64.6 19.0 53 59 A N + 0 0 81 -2,-1.3 5,-0.1 6,-0.1 -3,-0.0 -0.863 10.8 140.4-109.4 132.8 -3.9 65.5 15.8 54 60 A H > - 0 0 41 -2,-0.5 3,-2.0 3,-0.3 54,-0.0 -0.976 56.8-110.7-158.5 147.8 -2.6 65.2 12.2 55 61 A P T 3 S+ 0 0 90 0, 0.0 80,-0.1 0, 0.0 4,-0.1 0.656 117.5 47.5 -58.6 -14.7 -4.1 64.1 8.9 56 62 A N T 3 S+ 0 0 8 80,-0.1 81,-2.6 48,-0.1 2,-0.4 0.219 96.6 82.4-114.6 14.9 -2.1 60.9 8.8 57 63 A I B < S-e 137 0B 3 -3,-2.0 2,-0.5 79,-0.3 -3,-0.3 -0.967 84.4-119.4-120.0 130.0 -2.8 59.8 12.4 58 64 A V - 0 0 3 79,-2.7 2,-0.1 -2,-0.4 81,-0.1 -0.621 43.4-114.9 -71.4 120.3 -6.1 57.9 13.2 59 65 A K - 0 0 49 -2,-0.5 16,-2.1 1,-0.1 2,-0.8 -0.378 11.9-138.3 -66.2 132.3 -7.7 60.2 15.7 60 66 A L E +D 74 0A 2 -11,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.845 27.1 178.1 -89.0 106.4 -8.3 59.2 19.3 61 67 A L E - 0 0 58 12,-2.5 2,-0.3 -2,-0.8 13,-0.2 0.948 54.6 -0.4 -76.8 -55.7 -11.8 60.6 19.9 62 68 A D E -D 73 0A 82 11,-1.5 11,-2.7 2,-0.0 2,-0.5 -0.964 50.8-147.0-143.5 153.9 -12.7 59.6 23.5 63 69 A V E -D 72 0A 35 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.988 16.7-170.0-121.5 127.0 -11.3 57.8 26.4 64 70 A I E +D 71 0A 44 7,-2.7 7,-1.8 -2,-0.5 2,-0.7 -0.947 12.7 175.4-128.0 110.4 -13.7 55.9 28.7 65 71 A H E +D 70 0A 85 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.971 26.0 155.6-108.9 104.5 -12.6 54.5 31.9 66 72 A T E > +D 69 0A 57 3,-2.1 3,-2.0 -2,-0.7 -2,-0.1 -0.999 61.5 0.2-138.9 134.3 -15.8 53.1 33.4 67 73 A E T 3 S- 0 0 147 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.863 129.2 -61.1 58.0 33.4 -16.3 50.4 35.9 68 74 A N T 3 S+ 0 0 134 1,-0.3 2,-0.3 -30,-0.0 -1,-0.3 0.669 116.5 112.7 65.4 23.2 -12.5 50.0 36.1 69 75 A K E < - D 0 66A 88 -3,-2.0 -3,-2.1 -31,-0.0 2,-0.4 -0.817 58.0-140.0-120.2 154.4 -12.5 49.1 32.4 70 76 A L E + D 0 65A 2 -35,-0.5 -35,-1.2 -2,-0.3 2,-0.4 -0.936 17.8 178.8-120.6 140.4 -10.9 51.1 29.6 71 77 A Y E -CD 34 64A 10 -7,-1.8 -7,-2.7 -2,-0.4 2,-0.5 -0.991 14.3-151.6-138.8 137.1 -12.2 51.7 26.1 72 78 A L E -CD 33 63A 0 -39,-3.8 -39,-4.1 -2,-0.4 2,-0.6 -0.929 5.7-153.7-112.9 131.5 -10.7 53.8 23.4 73 79 A V E +CD 32 62A 6 -11,-2.7 -12,-2.5 -2,-0.5 -11,-1.5 -0.946 22.2 175.2-107.5 116.0 -12.9 55.4 20.8 74 80 A F E -CD 31 60A 15 -43,-3.5 -43,-3.2 -2,-0.6 -14,-0.2 -0.813 37.6 -93.6-117.7 159.9 -11.1 56.1 17.5 75 81 A E E -C 30 0A 50 -16,-2.1 2,-0.4 -2,-0.3 -45,-0.2 -0.331 47.7-121.7 -67.9 155.2 -12.1 57.4 14.0 76 82 A F - 0 0 41 -47,-0.5 2,-0.4 -46,-0.0 -47,-0.1 -0.865 26.7-175.8-108.0 133.9 -13.0 54.6 11.6 77 83 A L - 0 0 13 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.953 26.7-128.5-122.8 148.8 -11.4 53.8 8.2 78 84 A H S S+ 0 0 112 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.660 77.4 20.6 -76.5 -19.9 -12.7 51.1 6.0 79 85 A Q E -F 129 0B 10 50,-1.1 50,-2.4 204,-0.1 2,-0.2 -0.986 62.0-136.1-148.9 152.1 -9.7 48.9 5.0 80 86 A D E > -F 128 0B 49 -2,-0.3 4,-1.7 48,-0.2 48,-0.2 -0.675 32.7-110.6-102.7 162.8 -6.2 48.2 6.3 81 87 A L H > S+ 0 0 0 46,-2.7 4,-2.5 43,-1.0 5,-0.2 0.803 114.8 62.6 -64.4 -26.5 -3.1 48.0 4.1 82 88 A K H > S+ 0 0 74 42,-0.7 4,-2.4 45,-0.3 -1,-0.2 0.978 107.5 42.2 -62.3 -52.2 -2.8 44.2 4.6 83 89 A K H > S+ 0 0 112 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.845 114.7 50.8 -61.4 -42.1 -6.3 43.6 2.9 84 90 A F H X S+ 0 0 9 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.892 110.6 49.6 -64.5 -37.7 -5.5 46.1 0.1 85 91 A M H < S+ 0 0 20 -4,-2.5 -2,-0.2 2,-0.2 7,-0.2 0.924 110.4 50.0 -67.1 -41.9 -2.2 44.4 -0.5 86 92 A D H >< S+ 0 0 97 -4,-2.4 3,-1.8 1,-0.2 4,-0.3 0.947 109.0 52.2 -61.0 -44.4 -3.9 41.0 -0.7 87 93 A A H 3< S+ 0 0 78 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.826 114.1 43.2 -59.9 -33.3 -6.4 42.4 -3.1 88 94 A S T 3X S+ 0 0 18 -4,-1.6 4,-3.2 1,-0.2 3,-0.3 0.151 79.7 113.1-100.0 19.6 -3.6 43.7 -5.3 89 95 A A T <4 S+ 0 0 46 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.834 76.5 47.9 -60.9 -36.8 -1.4 40.6 -5.1 90 96 A L T 4 S+ 0 0 162 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.770 128.4 21.5 -76.8 -29.5 -1.8 39.6 -8.8 91 97 A T T 4 S- 0 0 116 -3,-0.3 -2,-0.2 -4,-0.1 -1,-0.1 0.630 101.8-132.5-113.2 -22.1 -1.1 43.0 -10.3 92 98 A G < - 0 0 9 -4,-3.2 90,-0.1 -7,-0.2 -3,-0.1 0.045 33.4 -69.6 83.5 158.3 0.8 44.8 -7.5 93 99 A I - 0 0 16 88,-0.6 2,-0.1 -4,-0.1 -8,-0.0 -0.726 59.6-105.7 -84.1 133.3 0.3 48.3 -6.2 94 100 A P >> - 0 0 80 0, 0.0 4,-2.1 0, 0.0 3,-1.5 -0.380 23.4-123.4 -60.3 141.5 1.2 50.9 -8.7 95 101 A L H 3> S+ 0 0 63 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.863 110.8 60.2 -53.2 -43.0 4.5 52.7 -7.9 96 102 A P H 3> S+ 0 0 70 0, 0.0 4,-1.0 0, 0.0 179,-0.4 0.841 109.3 43.3 -56.6 -32.8 2.7 56.1 -7.9 97 103 A L H <> S+ 0 0 9 -3,-1.5 4,-2.9 2,-0.2 5,-0.3 0.905 112.0 52.0 -77.0 -44.8 0.4 54.9 -5.1 98 104 A I H X S+ 0 0 4 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.943 110.4 51.1 -55.3 -43.5 3.2 53.2 -3.1 99 105 A K H X S+ 0 0 10 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.837 111.5 45.7 -64.7 -37.0 5.1 56.5 -3.3 100 106 A S H X S+ 0 0 5 -4,-1.0 4,-2.1 -5,-0.2 -1,-0.2 0.901 113.2 49.1 -72.3 -45.7 2.1 58.6 -2.1 101 107 A Y H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.899 112.8 48.2 -60.2 -43.3 1.4 56.2 0.8 102 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.868 111.0 50.5 -66.0 -38.4 5.0 56.2 1.9 103 109 A F H X S+ 0 0 50 -4,-1.5 4,-1.1 -5,-0.2 -2,-0.2 0.877 112.7 46.4 -66.4 -42.7 5.2 60.0 1.7 104 110 A Q H X S+ 0 0 12 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.892 111.2 51.8 -66.2 -44.4 2.1 60.4 3.9 105 111 A L H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.927 108.4 51.1 -60.6 -42.4 3.3 57.8 6.4 106 112 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.797 108.3 52.7 -65.4 -31.2 6.6 59.6 6.8 107 113 A Q H X S+ 0 0 69 -4,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.903 110.5 47.6 -69.1 -43.1 4.8 62.9 7.4 108 114 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.937 114.5 45.9 -62.0 -47.3 2.7 61.2 10.1 109 115 A L H X S+ 0 0 3 -4,-2.8 4,-3.5 1,-0.2 5,-0.3 0.910 108.9 55.1 -62.4 -42.9 5.9 59.7 11.7 110 116 A A H X S+ 0 0 21 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.834 110.5 47.6 -59.0 -34.8 7.7 63.0 11.4 111 117 A F H X S+ 0 0 47 -4,-1.6 4,-0.8 -3,-0.2 -2,-0.2 0.931 115.8 42.5 -70.1 -50.4 4.8 64.6 13.4 112 118 A C H ><>S+ 0 0 7 -4,-2.4 5,-2.5 1,-0.2 3,-1.2 0.942 113.7 52.0 -61.1 -48.5 4.8 61.9 16.1 113 119 A H H ><5S+ 0 0 30 -4,-3.5 3,-1.3 1,-0.3 -1,-0.2 0.802 103.8 57.4 -61.1 -32.1 8.5 61.8 16.4 114 120 A S H 3<5S+ 0 0 87 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.754 107.6 48.9 -72.4 -19.4 8.7 65.5 16.9 115 121 A H T <<5S- 0 0 99 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.210 119.5-111.7-100.4 15.9 6.4 65.0 19.9 116 122 A R T < 5S+ 0 0 232 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.644 74.3 137.6 62.6 19.1 8.6 62.2 21.2 117 123 A V < - 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