==== 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 3LFQ . 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 . 289 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14625.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 62.3 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 . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 26.0 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 1 0 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 57 0, 0.0 3,-0.6 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 160.7 28.0 -21.9 23.7 2 2 A E T 3 + 0 0 143 1,-0.2 0, 0.0 3,-0.1 0, 0.0 0.752 360.0 58.8 -74.4 -31.9 27.8 -25.5 22.5 3 3 A N T 3 S+ 0 0 68 21,-0.1 21,-3.2 20,-0.1 2,-0.4 0.448 98.7 74.2 -80.1 -1.5 30.3 -25.1 19.6 4 4 A F E < -A 23 0A 16 -3,-0.6 2,-0.6 19,-0.2 19,-0.2 -0.957 61.4-157.3-122.3 129.7 33.1 -23.8 21.9 5 5 A Q E -A 22 0A 93 17,-3.0 17,-2.7 -2,-0.4 2,-0.3 -0.904 27.5-133.8 -99.2 116.7 35.3 -25.7 24.4 6 6 A K E -A 21 0A 79 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.613 23.6-177.7 -73.4 128.5 36.6 -23.2 27.0 7 7 A V E - 0 0 76 13,-2.6 2,-0.3 1,-0.4 14,-0.2 0.895 63.4 -32.7 -88.3 -50.9 40.3 -23.5 27.7 8 8 A E E -A 20 0A 111 12,-1.2 12,-3.2 0, 0.0 2,-0.4 -0.984 59.2 -94.4-163.6 161.0 40.5 -20.8 30.4 9 9 A K E -A 19 0A 112 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.700 37.1-178.6 -79.0 127.0 39.2 -17.5 31.8 10 10 A I E - 0 0 63 8,-2.7 2,-0.3 -2,-0.4 9,-0.2 0.670 50.3 -44.2-104.1 -19.3 41.5 -14.8 30.3 11 11 A G E -A 18 0A 25 7,-1.7 7,-2.6 2,-0.0 2,-0.4 -0.992 49.6 -89.2 174.4-175.0 40.0 -11.6 31.8 12 12 A E E -A 17 0A 99 -2,-0.3 5,-0.2 5,-0.2 138,-0.0 -0.986 36.1-162.7-129.4 114.4 37.2 -9.2 32.8 13 13 A G - 0 0 16 3,-2.6 139,-0.3 -2,-0.4 138,-0.3 -0.015 39.1 -96.6 -81.1-169.5 35.9 -6.6 30.3 14 14 A T S S+ 0 0 12 136,-0.1 137,-1.3 137,-0.1 138,-0.1 0.870 124.6 24.8 -73.7 -38.3 33.8 -3.5 30.9 15 15 A Y S S- 0 0 31 1,-0.2 21,-0.6 135,-0.2 2,-0.3 0.736 128.2 -20.2 -99.7 -34.4 30.7 -5.6 29.8 16 16 A G E S- B 0 35A 2 19,-0.2 -3,-2.6 136,-0.0 -1,-0.2 -0.975 75.6 -59.5-167.1 176.7 31.5 -9.2 30.5 17 17 A V E -AB 12 34A 28 17,-0.7 17,-2.2 -2,-0.3 2,-0.5 -0.388 41.7-144.3 -68.4 144.5 33.9 -12.1 31.2 18 18 A V E -AB 11 33A 30 -7,-2.6 -8,-2.7 15,-0.2 -7,-1.7 -0.964 19.1-173.9-116.8 123.7 36.5 -13.0 28.4 19 19 A Y E -AB 9 32A 50 13,-2.7 13,-3.3 -2,-0.5 2,-0.5 -0.873 27.9-127.1-114.8 154.7 37.5 -16.6 27.9 20 20 A K E +AB 8 31A 41 -12,-3.2 -13,-2.6 -2,-0.3 -12,-1.2 -0.846 46.7 173.5 -90.5 126.4 40.1 -18.3 25.7 21 21 A A E -AB 6 30A 0 9,-2.6 9,-2.9 -2,-0.5 2,-0.4 -0.958 31.4-136.9-140.3 158.7 38.1 -20.9 23.7 22 22 A R E -AB 5 29A 112 -17,-2.7 -17,-3.0 -2,-0.3 2,-0.3 -0.971 23.2-128.3-116.0 130.0 38.4 -23.5 20.9 23 23 A N E > -A 4 0A 23 5,-2.9 4,-1.2 -2,-0.4 -19,-0.2 -0.579 14.2-148.0 -72.7 134.2 35.7 -23.9 18.2 24 24 A K T 4 S+ 0 0 134 -21,-3.2 -1,-0.1 -2,-0.3 -20,-0.1 0.891 92.2 39.5 -74.8 -39.2 34.7 -27.6 17.9 25 25 A L T 4 S+ 0 0 129 -22,-0.3 -1,-0.1 1,-0.1 -21,-0.1 0.824 129.9 26.8 -81.0 -33.7 33.9 -27.6 14.1 26 26 A T T 4 S- 0 0 88 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.658 90.4-134.4-100.7 -22.1 36.8 -25.4 12.8 27 27 A G < + 0 0 30 -4,-1.2 -3,-0.1 1,-0.3 2,-0.1 0.442 51.6 155.5 77.9 1.6 39.4 -26.0 15.6 28 28 A E - 0 0 93 -6,-0.1 -5,-2.9 1,-0.1 2,-0.5 -0.351 42.4-134.2 -62.4 132.8 40.0 -22.2 15.6 29 29 A V E +B 22 0A 58 -7,-0.2 45,-0.6 -3,-0.1 2,-0.2 -0.845 39.4 165.5 -93.1 123.5 41.3 -20.7 18.8 30 30 A V E -BC 21 73A 1 -9,-2.9 -9,-2.6 -2,-0.5 2,-0.5 -0.808 42.6-110.9-131.5 173.2 39.3 -17.5 19.7 31 31 A A E -BC 20 72A 11 41,-2.8 41,-3.2 -2,-0.2 2,-0.5 -0.954 34.6-158.1-108.1 124.7 38.6 -15.0 22.5 32 32 A L E -BC 19 71A 0 -13,-3.3 -13,-2.7 -2,-0.5 2,-0.5 -0.946 5.5-164.8-115.2 112.2 34.9 -15.5 23.7 33 33 A K E -BC 18 70A 2 37,-2.6 37,-2.4 -2,-0.5 2,-0.6 -0.861 3.7-160.2 -98.0 125.7 33.2 -12.5 25.5 34 34 A K E -BC 17 69A 38 -17,-2.2 -17,-0.7 -2,-0.5 2,-0.6 -0.934 7.3-158.1-106.7 115.5 29.9 -13.3 27.4 35 35 A I E BC 16 68A 12 33,-2.8 33,-1.9 -2,-0.6 -19,-0.2 -0.893 360.0 360.0-105.7 121.5 27.6 -10.3 28.1 36 36 A R 0 0 170 -21,-0.6 31,-0.2 -2,-0.6 -2,-0.1 -0.626 360.0 360.0 72.5 360.0 25.1 -10.4 31.0 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 46 A S > 0 0 106 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -51.9 17.8 -4.6 19.7 39 47 A T H > + 0 0 95 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.840 360.0 50.7 -66.6 -36.2 19.4 -1.2 18.8 40 48 A A H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.876 108.4 51.5 -67.4 -41.8 22.7 -2.5 20.4 41 49 A I H > S+ 0 0 37 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.888 109.3 51.4 -61.9 -43.3 22.5 -5.8 18.4 42 50 A R H X S+ 0 0 160 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.957 111.9 45.7 -57.5 -55.5 22.1 -3.7 15.1 43 51 A E H X S+ 0 0 56 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.846 115.8 46.0 -56.8 -42.7 25.2 -1.5 16.0 44 52 A I H >< S+ 0 0 0 -4,-2.2 3,-0.8 2,-0.2 4,-0.4 0.880 106.4 57.3 -72.6 -38.5 27.3 -4.5 16.9 45 53 A S H >< S+ 0 0 39 -4,-2.6 3,-1.2 1,-0.2 4,-0.2 0.851 102.1 57.9 -59.9 -34.7 26.3 -6.6 13.8 46 54 A L H >< S+ 0 0 91 -4,-1.5 3,-1.8 1,-0.2 4,-0.4 0.811 92.6 69.2 -62.6 -34.5 27.6 -3.7 11.7 47 55 A L T << S+ 0 0 9 -3,-0.8 3,-0.3 -4,-0.7 11,-0.3 0.634 81.0 74.7 -61.9 -17.1 31.1 -4.1 13.4 48 56 A K T < S+ 0 0 77 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.705 97.0 50.6 -66.5 -22.4 31.6 -7.5 11.5 49 57 A E S < S+ 0 0 137 -3,-1.8 2,-1.7 -4,-0.2 -1,-0.2 0.677 85.4 86.4 -90.2 -23.7 32.2 -5.4 8.3 50 58 A L + 0 0 25 -4,-0.4 2,-0.4 -3,-0.3 -1,-0.1 -0.558 61.1 166.9 -87.2 84.3 34.9 -3.0 9.7 51 59 A N + 0 0 79 -2,-1.7 5,-0.1 6,-0.1 6,-0.0 -0.814 6.4 150.2-100.8 131.5 38.0 -5.1 9.1 52 60 A H > - 0 0 45 3,-0.4 3,-2.1 -2,-0.4 54,-0.0 -0.960 53.1-114.7-155.3 145.0 41.6 -3.8 9.2 53 61 A P T 3 S+ 0 0 93 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.741 118.3 49.0 -58.1 -23.0 45.0 -5.5 10.2 54 62 A N T 3 S+ 0 0 11 80,-0.1 81,-2.3 48,-0.1 2,-0.4 0.236 98.8 79.7-100.6 14.3 45.3 -3.1 13.3 55 63 A I B < S-e 135 0B 10 -3,-2.1 -3,-0.4 79,-0.2 2,-0.2 -0.987 89.5-114.4-120.5 127.3 41.7 -3.8 14.5 56 64 A V - 0 0 15 79,-2.5 2,-0.2 -2,-0.4 82,-0.1 -0.463 42.9-113.6 -60.2 124.0 40.9 -7.1 16.5 57 65 A K - 0 0 108 -2,-0.2 16,-2.0 -4,-0.1 2,-0.8 -0.469 14.9-143.2 -68.9 132.0 38.5 -9.0 14.1 58 66 A L E +D 72 0A 14 -11,-0.3 14,-0.2 -2,-0.2 3,-0.1 -0.861 22.3 179.8 -93.4 103.4 34.9 -9.6 15.3 59 67 A L E - 0 0 35 12,-2.2 2,-0.3 -2,-0.8 13,-0.2 0.884 58.1 -8.7 -73.5 -45.4 34.3 -13.2 13.9 60 68 A D E -D 71 0A 86 11,-1.3 11,-2.7 2,-0.0 2,-0.4 -0.990 48.6-142.9-157.1 156.7 30.7 -13.7 15.1 61 69 A V E -D 70 0A 23 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.995 20.2-172.9-125.0 117.1 27.8 -12.2 17.2 62 70 A I E -D 69 0A 29 7,-3.0 7,-3.5 -2,-0.4 2,-0.6 -0.951 4.8-174.6-119.3 112.8 25.6 -14.8 19.1 63 71 A H E +D 68 0A 101 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.930 27.2 140.3-108.4 109.1 22.4 -13.5 20.9 64 72 A T E > -D 67 0A 59 3,-2.1 3,-1.3 -2,-0.6 -2,-0.1 -0.981 56.1 -7.3-153.5 144.9 20.7 -16.4 22.9 65 73 A E T 3 S- 0 0 154 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.833 127.0 -42.7 34.9 69.8 18.9 -17.0 26.2 66 74 A N T 3 S+ 0 0 134 1,-0.1 2,-0.3 -30,-0.0 -1,-0.3 0.668 120.5 103.4 54.1 29.2 19.5 -13.6 28.0 67 75 A K E < - D 0 64A 59 -3,-1.3 -3,-2.1 -31,-0.2 2,-0.5 -0.981 58.0-150.6-139.7 148.3 23.2 -13.5 26.8 68 76 A L E -CD 35 63A 1 -33,-1.9 -33,-2.8 -2,-0.3 2,-0.5 -0.976 17.3-164.2-120.8 113.2 25.2 -11.7 24.1 69 77 A Y E -CD 34 62A 19 -7,-3.5 -7,-3.0 -2,-0.5 2,-0.5 -0.882 3.3-167.2-101.7 123.5 28.3 -13.7 22.9 70 78 A L E -CD 33 61A 0 -37,-2.4 -37,-2.6 -2,-0.5 2,-0.6 -0.966 8.5-154.7-113.1 118.5 31.1 -11.9 20.9 71 79 A V E -CD 32 60A 5 -11,-2.7 -12,-2.2 -2,-0.5 -11,-1.3 -0.883 22.5-177.7 -96.2 116.2 33.6 -14.2 19.1 72 80 A F E -CD 31 58A 22 -41,-3.2 -41,-2.8 -2,-0.6 -14,-0.2 -0.824 33.9 -97.7-118.0 156.5 36.9 -12.4 18.6 73 81 A E E -C 30 0A 47 -16,-2.0 2,-0.4 -2,-0.3 -43,-0.2 -0.376 48.7-122.6 -60.4 139.6 40.4 -13.1 17.1 74 82 A F - 0 0 37 -45,-0.6 2,-0.3 -2,-0.0 -1,-0.1 -0.801 29.2-179.6 -97.4 137.6 42.8 -14.2 19.8 75 83 A L - 0 0 17 -2,-0.4 53,-0.1 1,-0.1 52,-0.0 -0.982 26.9-134.1-132.7 137.4 46.2 -12.4 20.7 76 84 A H S S+ 0 0 108 -2,-0.3 2,-0.3 51,-0.1 52,-0.1 0.743 78.6 24.9 -65.6 -31.6 48.6 -13.7 23.5 77 85 A Q E -F 127 0B 45 50,-1.5 50,-2.3 213,-0.0 2,-0.3 -0.922 61.2-140.1-137.6 161.3 49.4 -10.4 25.3 78 86 A D E > -F 126 0B 31 -2,-0.3 4,-1.6 48,-0.3 48,-0.3 -0.807 30.9-114.1-113.6 158.3 48.1 -6.9 26.0 79 87 A L H > S+ 0 0 0 46,-2.8 4,-2.4 43,-0.9 44,-0.2 0.776 111.2 62.3 -62.5 -31.6 50.1 -3.6 26.2 80 88 A K H > S+ 0 0 64 42,-0.8 4,-2.0 45,-0.3 -1,-0.2 0.957 108.5 40.8 -60.2 -51.6 49.5 -3.1 29.9 81 89 A K H > S+ 0 0 121 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.826 114.6 52.7 -65.2 -35.4 51.4 -6.3 30.9 82 90 A F H X S+ 0 0 7 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.887 109.6 49.1 -67.2 -40.6 54.1 -5.6 28.3 83 91 A M H < S+ 0 0 22 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.894 113.3 47.3 -63.3 -42.7 54.6 -2.1 29.8 84 92 A D H >< S+ 0 0 85 -4,-2.0 3,-1.3 1,-0.2 4,-0.2 0.921 111.5 49.7 -65.3 -45.7 54.8 -3.7 33.3 85 93 A A H 3< S+ 0 0 75 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.704 115.7 44.6 -64.8 -23.9 57.3 -6.4 32.1 86 94 A S T >X S+ 0 0 6 -4,-1.1 4,-2.9 -3,-0.2 3,-0.5 0.263 80.3 110.6-103.8 7.7 59.5 -3.7 30.5 87 95 A A T <4 S+ 0 0 45 -3,-1.3 -1,-0.1 1,-0.2 -2,-0.1 0.743 74.3 52.8 -53.8 -34.4 59.3 -1.2 33.5 88 96 A L T 34 S+ 0 0 151 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.842 127.6 14.7 -75.7 -37.0 63.0 -1.6 34.4 89 97 A T T <4 S- 0 0 119 -3,-0.5 -2,-0.2 1,-0.1 -1,-0.1 0.603 104.2-124.9-112.9 -18.8 64.7 -0.9 31.0 90 98 A G < - 0 0 14 -4,-2.9 -3,-0.1 -7,-0.2 99,-0.1 0.095 32.1 -71.4 87.5 157.4 61.8 0.7 29.1 91 99 A I - 0 0 13 97,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.725 63.2-104.3 -79.4 129.7 60.3 -0.2 25.7 92 100 A P >> - 0 0 82 0, 0.0 4,-1.8 0, 0.0 3,-1.1 -0.266 25.0-119.3 -57.9 142.2 62.9 0.7 23.0 93 101 A L H 3> S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.875 111.5 57.9 -50.3 -45.6 62.0 3.9 21.0 94 102 A P H 3> S+ 0 0 67 0, 0.0 4,-1.6 0, 0.0 188,-0.4 0.820 110.6 44.6 -55.4 -33.1 61.9 2.1 17.5 95 103 A L H <> S+ 0 0 7 -3,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.872 111.0 51.3 -76.4 -42.7 59.1 -0.3 19.0 96 104 A I H X S+ 0 0 6 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.933 113.6 48.1 -55.0 -49.2 57.1 2.6 20.7 97 105 A K H X S+ 0 0 13 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.868 112.1 46.9 -58.6 -48.0 57.3 4.4 17.2 98 106 A S H X S+ 0 0 3 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.916 113.9 48.5 -62.2 -45.6 56.1 1.2 15.3 99 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.927 113.3 46.8 -61.4 -46.3 53.3 0.7 17.9 100 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.899 112.5 50.7 -62.6 -42.7 52.1 4.3 17.6 101 109 A F H X S+ 0 0 61 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.930 113.3 44.8 -58.9 -48.6 52.3 4.2 13.8 102 110 A Q H X S+ 0 0 13 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.858 112.5 51.7 -65.2 -41.2 50.2 1.0 13.6 103 111 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.920 108.4 51.2 -63.1 -44.5 47.7 2.4 16.2 104 112 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.826 107.6 53.8 -62.6 -34.1 47.2 5.6 14.2 105 113 A Q H X S+ 0 0 64 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.903 109.1 48.1 -65.5 -44.0 46.5 3.5 11.0 106 114 A G H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.889 114.0 46.8 -61.6 -43.5 43.8 1.6 12.8 107 115 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.940 109.9 53.2 -63.7 -49.8 42.3 4.9 14.1 108 116 A A H X S+ 0 0 18 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.881 111.0 47.9 -54.9 -41.2 42.5 6.5 10.6 109 117 A F H X S+ 0 0 46 -4,-2.1 4,-0.8 2,-0.2 3,-0.2 0.954 116.0 41.3 -64.2 -55.1 40.6 3.5 9.1 110 118 A C H ><>S+ 0 0 0 -4,-2.1 5,-2.3 1,-0.2 3,-1.1 0.912 114.0 51.8 -60.3 -47.0 37.7 3.5 11.8 111 119 A H H ><5S+ 0 0 25 -4,-3.0 3,-1.4 1,-0.2 -1,-0.2 0.787 102.8 60.5 -60.2 -30.8 37.4 7.3 11.8 112 120 A S H 3<5S+ 0 0 73 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.750 107.3 45.8 -69.3 -23.5 37.1 7.2 7.9 113 121 A H T <<5S- 0 0 99 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.167 123.0-110.1-101.8 14.7 33.9 5.0 8.4 114 122 A R T < 5S+ 0 0 207 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.751 75.7 134.9 60.5 32.0 32.7 7.4 11.2 115 123 A V < - 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