==== 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 3LFN . 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 . 285 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 59.6 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 . 38 13.3 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 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 25.6 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 3 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 2 1 0 1 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 56 0, 0.0 3,-1.6 0, 0.0 66,-0.0 0.000 360.0 360.0 360.0 139.2 26.5 -21.1 22.6 2 2 A E T 3 + 0 0 145 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.707 360.0 57.6 -50.9 -36.8 26.5 -24.9 21.8 3 3 A N T 3 S+ 0 0 69 21,-0.1 21,-1.4 20,-0.0 2,-0.3 0.404 98.8 72.7 -83.7 2.4 29.5 -24.6 19.3 4 4 A F E < -A 23 0A 31 -3,-1.6 2,-0.4 19,-0.2 19,-0.2 -0.902 56.2-160.7-123.8 151.3 31.9 -23.1 21.9 5 5 A Q E -A 22 0A 99 17,-1.8 17,-2.3 -2,-0.3 2,-0.3 -0.992 25.4-126.6-124.8 128.9 33.9 -24.3 25.0 6 6 A K E +A 21 0A 123 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.606 27.6 176.0 -72.9 130.6 35.3 -21.8 27.5 7 7 A V E - 0 0 69 13,-3.1 2,-0.2 1,-0.5 14,-0.2 0.755 63.0 -29.6-104.2 -32.1 39.0 -22.4 28.0 8 8 A E E -A 20 0A 119 12,-1.0 12,-2.7 0, 0.0 2,-0.7 -0.941 67.8 -86.7-173.7 165.9 39.7 -19.4 30.4 9 9 A K E -A 19 0A 121 -2,-0.2 10,-0.3 10,-0.2 3,-0.1 -0.807 29.0-169.3 -91.4 108.8 38.6 -15.9 31.4 10 10 A I E - 0 0 67 8,-0.9 2,-0.3 -2,-0.7 9,-0.2 0.887 58.7 -74.8 -61.4 -43.8 40.4 -13.3 29.2 11 11 A G E -A 18 0A 26 7,-1.9 7,-2.7 2,-0.0 2,-0.6 -0.966 50.1 -68.3 167.1-172.9 39.2 -10.4 31.4 12 12 A E E -A 17 0A 107 -2,-0.3 5,-0.2 5,-0.2 4,-0.0 -0.930 49.4-165.7-113.4 106.2 36.2 -8.2 32.4 13 13 A G E > -A 16 0A 28 3,-1.2 3,-0.5 -2,-0.6 5,-0.0 -0.021 35.9 -97.0 -77.9-174.5 35.1 -5.9 29.6 14 14 A T T 3 S+ 0 0 66 1,-0.2 2,-0.4 3,-0.0 3,-0.1 0.867 121.1 39.4 -73.8 -39.8 32.8 -2.8 29.6 15 15 A Y T 3 S- 0 0 79 1,-0.2 -1,-0.2 20,-0.0 21,-0.2 -0.521 131.0 -56.3-111.0 60.1 29.7 -4.8 28.5 16 16 A G E < S-A 13 0A 28 -3,-0.5 -3,-1.2 -2,-0.4 -1,-0.2 -0.501 84.9 -31.7 101.3-170.9 30.1 -8.1 30.4 17 17 A V E -A 12 0A 36 17,-0.5 17,-1.7 -5,-0.2 2,-0.4 -0.495 47.0-143.9 -85.7 153.6 32.9 -10.7 30.7 18 18 A V E -AB 11 33A 23 -7,-2.7 -7,-1.9 15,-0.2 -8,-0.9 -0.985 20.2-171.9-120.8 127.5 35.3 -11.8 27.9 19 19 A Y E -AB 9 32A 36 13,-2.9 13,-3.3 -2,-0.4 2,-0.6 -0.909 28.8-121.1-122.7 151.3 36.5 -15.4 27.6 20 20 A K E -AB 8 31A 41 -12,-2.7 -13,-3.1 -2,-0.3 -12,-1.0 -0.793 46.0-175.4 -87.6 116.2 39.0 -17.4 25.5 21 21 A A E -AB 6 30A 1 9,-3.2 9,-3.3 -2,-0.6 2,-0.4 -0.925 25.1-143.6-123.9 148.4 36.9 -19.9 23.6 22 22 A R E -AB 5 29A 112 -17,-2.3 -17,-1.8 -2,-0.3 7,-0.2 -0.897 20.8-135.1-105.9 133.5 37.4 -22.9 21.2 23 23 A N E -A 4 0A 23 5,-3.0 -19,-0.2 -2,-0.4 -20,-0.0 -0.426 3.2-152.4 -79.7 157.3 35.0 -23.6 18.3 24 24 A K S S+ 0 0 115 -21,-1.4 -1,-0.1 -2,-0.1 -20,-0.1 0.869 92.7 43.6 -96.3 -48.1 33.8 -27.1 17.6 25 25 A L S S+ 0 0 125 -22,-0.2 -21,-0.1 1,-0.2 -2,-0.0 0.878 133.2 19.5 -64.3 -43.9 33.1 -26.9 13.8 26 26 A T S S- 0 0 96 2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.750 89.1-135.0 -98.0 -33.4 36.4 -25.0 13.0 27 27 A G + 0 0 30 1,-0.3 -3,-0.1 0, 0.0 -2,-0.1 0.394 54.4 150.6 86.2 -0.3 38.6 -25.7 16.0 28 28 A E - 0 0 109 -6,-0.1 -5,-3.0 1,-0.1 2,-0.4 -0.208 47.2-125.9 -64.4 147.5 39.5 -22.0 16.0 29 29 A V E +B 22 0A 33 -7,-0.2 50,-0.7 -3,-0.1 2,-0.3 -0.869 39.2 172.4-100.2 131.0 40.4 -20.1 19.2 30 30 A V E -BC 21 78A 3 -9,-3.3 -9,-3.2 -2,-0.4 2,-0.6 -0.845 39.0-114.3-135.9 165.5 38.3 -17.0 19.7 31 31 A A E -BC 20 77A 10 46,-2.9 46,-3.7 -2,-0.3 2,-0.5 -0.962 34.9-161.6-105.7 114.0 37.5 -14.2 22.2 32 32 A L E -BC 19 76A 13 -13,-3.3 -13,-2.9 -2,-0.6 2,-0.6 -0.910 3.6-161.2-104.1 123.1 33.8 -14.6 23.3 33 33 A K E -BC 18 75A 3 42,-3.3 42,-2.5 -2,-0.5 2,-0.8 -0.906 7.1-153.3-107.6 111.1 32.0 -11.6 24.9 34 34 A K E - C 0 74A 49 -17,-1.7 -17,-0.5 -2,-0.6 2,-0.4 -0.747 22.4-141.7 -80.9 106.2 28.8 -12.3 27.0 35 35 A I E C 0 73A 18 38,-2.6 38,-0.7 -2,-0.8 -19,-0.2 -0.644 360.0 360.0 -79.0 127.5 26.9 -9.0 26.7 36 36 A R 0 0 112 -2,-0.4 -19,-0.1 -21,-0.2 -2,-0.0 0.082 360.0 360.0 31.1 360.0 25.0 -7.9 29.9 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 41 A T 0 0 128 0, 0.0 34,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 151.0 17.7 -7.3 31.1 39 42 A E - 0 0 196 32,-0.0 0, 0.0 0, 0.0 0, 0.0 0.555 360.0 -52.9-128.9 -59.9 14.2 -7.2 29.4 40 43 A G S S- 0 0 33 0, 0.0 31,-0.1 0, 0.0 32,-0.1 0.284 81.2 -88.8-176.4 16.7 14.5 -8.7 25.9 41 44 A V - 0 0 29 30,-0.1 30,-0.0 32,-0.0 31,-0.0 0.847 46.2-100.3 68.2 118.9 17.4 -6.9 24.0 42 45 A P > - 0 0 78 0, 0.0 4,-0.8 0, 0.0 -1,-0.0 -0.304 13.7-140.2 -70.5 150.6 16.8 -3.7 21.9 43 46 A S H > S+ 0 0 79 2,-0.2 4,-1.6 1,-0.2 3,-0.2 0.848 101.4 58.8 -71.8 -40.5 16.5 -3.7 18.1 44 47 A T H > S+ 0 0 87 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.865 104.5 51.1 -57.6 -41.5 18.5 -0.4 17.7 45 48 A A H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.820 104.8 57.8 -66.2 -34.6 21.6 -2.1 19.4 46 49 A I H X S+ 0 0 46 -4,-0.8 4,-2.6 1,-0.2 -2,-0.2 0.927 108.3 45.4 -62.1 -47.4 21.3 -5.1 17.0 47 50 A R H X S+ 0 0 145 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.846 112.7 50.5 -63.4 -40.1 21.7 -2.8 13.9 48 51 A E H X S+ 0 0 58 -4,-1.6 4,-0.7 2,-0.2 -1,-0.2 0.837 114.8 43.9 -68.1 -35.0 24.6 -0.9 15.5 49 52 A I H >X S+ 0 0 12 -4,-1.9 4,-0.6 2,-0.2 3,-0.6 0.885 111.7 52.7 -74.9 -43.1 26.4 -4.2 16.3 50 53 A S H 3< S+ 0 0 41 -4,-2.6 4,-0.4 1,-0.2 3,-0.3 0.725 104.1 58.1 -66.4 -22.3 25.6 -5.6 12.8 51 54 A L H >< S+ 0 0 89 -4,-1.2 3,-0.9 1,-0.2 4,-0.3 0.811 97.7 61.9 -73.6 -33.2 27.1 -2.5 11.2 52 55 A L H X< S+ 0 0 17 -4,-0.7 3,-0.7 -3,-0.6 11,-0.3 0.713 90.7 66.0 -64.6 -27.2 30.4 -3.3 13.1 53 56 A K T 3< S+ 0 0 75 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.773 104.9 44.8 -65.4 -29.0 30.8 -6.6 11.2 54 57 A E T < S+ 0 0 141 -3,-0.9 2,-1.4 -4,-0.4 -1,-0.2 0.459 91.6 88.9 -90.5 -9.6 31.3 -4.6 7.9 55 58 A L < + 0 0 13 -3,-0.7 2,-0.4 -4,-0.3 -1,-0.1 -0.604 63.2 159.6 -91.2 67.7 33.7 -2.2 9.7 56 59 A N + 0 0 79 -2,-1.4 5,-0.1 6,-0.1 -3,-0.0 -0.839 7.6 148.5-101.1 136.0 36.8 -4.3 8.9 57 60 A H > - 0 0 43 -2,-0.4 3,-1.9 3,-0.4 54,-0.0 -0.953 55.9-111.0-156.4 148.3 40.4 -3.0 8.9 58 61 A P T 3 S+ 0 0 94 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.618 119.2 52.4 -59.8 -14.4 43.8 -4.7 9.8 59 62 A N T 3 S+ 0 0 8 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.076 95.7 79.9-108.9 20.3 44.0 -2.5 12.9 60 63 A I B < S-e 140 0B 15 -3,-1.9 -3,-0.4 79,-0.3 81,-0.2 -1.000 89.6-112.1-129.0 124.7 40.5 -3.3 14.2 61 64 A V - 0 0 10 79,-2.8 2,-0.4 -2,-0.4 82,-0.1 -0.426 45.0-111.3 -56.5 121.7 39.9 -6.6 16.2 62 65 A K - 0 0 106 -2,-0.1 16,-2.1 -4,-0.1 2,-1.0 -0.496 15.3-144.0 -66.8 121.2 37.7 -8.7 13.8 63 66 A L E -D 77 0A 11 -2,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.771 23.3-177.4 -82.5 102.3 34.1 -9.2 15.0 64 67 A L E - 0 0 52 12,-2.0 2,-0.3 -2,-1.0 -1,-0.2 0.926 58.4 -6.0 -70.1 -50.0 33.8 -12.7 13.6 65 68 A D E -D 76 0A 90 11,-1.6 11,-2.5 -3,-0.1 2,-0.4 -0.983 51.8-140.4-150.9 155.2 30.2 -13.3 14.5 66 69 A V E -D 75 0A 29 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.983 22.9-168.6-116.4 121.0 27.2 -11.9 16.4 67 70 A I E +D 74 0A 25 7,-2.9 7,-3.1 -2,-0.4 2,-0.6 -0.953 10.9 177.2-120.6 112.8 25.1 -14.5 18.3 68 71 A H E +D 73 0A 76 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.966 22.0 154.2-114.5 108.0 21.7 -13.5 19.8 69 72 A T - 0 0 45 3,-2.3 3,-0.3 -2,-0.6 -2,-0.1 -0.988 58.8 -7.7-144.7 135.1 20.1 -16.6 21.4 70 73 A E S S- 0 0 177 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.801 126.3 -54.7 49.8 42.8 17.6 -17.2 24.3 71 74 A N S S+ 0 0 92 1,-0.2 2,-0.3 -31,-0.1 -1,-0.2 0.914 118.1 103.4 56.1 53.3 17.5 -13.5 25.2 72 75 A K - 0 0 66 -3,-0.3 -3,-2.3 -32,-0.1 2,-0.4 -0.925 62.4-137.2-156.2 133.0 21.3 -13.2 25.7 73 76 A L E -CD 35 68A 5 -38,-0.7 -38,-2.6 -2,-0.3 2,-0.4 -0.851 14.7-168.8-103.5 138.4 23.9 -11.6 23.3 74 77 A Y E -CD 34 67A 37 -7,-3.1 -7,-2.9 -2,-0.4 2,-0.6 -0.992 6.7-158.4-125.9 125.5 27.3 -13.2 22.4 75 78 A L E -CD 33 66A 0 -42,-2.5 -42,-3.3 -2,-0.4 2,-0.6 -0.940 7.2-157.8-109.1 116.1 30.1 -11.3 20.6 76 79 A V E +CD 32 65A 2 -11,-2.5 -12,-2.0 -2,-0.6 -11,-1.6 -0.871 19.1 178.7 -97.1 111.9 32.7 -13.6 18.9 77 80 A F E -CD 31 63A 33 -46,-3.7 -46,-2.9 -2,-0.6 -14,-0.2 -0.778 36.5 -95.2-112.1 159.6 36.0 -11.8 18.2 78 81 A E E -C 30 0A 47 -16,-2.1 2,-0.4 -2,-0.3 -48,-0.2 -0.445 48.0-119.0 -68.0 141.7 39.4 -12.8 16.7 79 82 A F - 0 0 38 -50,-0.7 2,-0.4 -2,-0.1 -50,-0.1 -0.734 28.7-172.4 -89.9 134.3 41.8 -13.8 19.5 80 83 A L - 0 0 14 -2,-0.4 53,-0.1 1,-0.1 52,-0.1 -0.969 23.4-133.4-122.5 138.5 45.1 -11.9 20.1 81 84 A H S S+ 0 0 105 -2,-0.4 2,-0.3 51,-0.1 52,-0.2 0.712 78.3 25.7 -68.4 -28.4 47.7 -13.1 22.6 82 85 A Q E -F 132 0B 26 50,-1.6 50,-3.4 205,-0.1 2,-0.3 -0.997 60.3-142.3-142.3 147.8 48.5 -9.9 24.5 83 86 A D E > -F 131 0B 27 -2,-0.3 4,-1.9 48,-0.2 3,-0.3 -0.710 31.2-116.3-100.3 155.9 47.1 -6.5 25.5 84 87 A L H > S+ 0 0 0 46,-2.5 4,-2.4 43,-1.1 44,-0.2 0.743 111.8 61.6 -62.9 -26.4 49.2 -3.3 25.6 85 88 A K H > S+ 0 0 81 42,-0.6 4,-1.5 45,-0.3 -1,-0.2 0.933 109.8 40.5 -65.8 -45.9 48.6 -2.8 29.4 86 89 A K H > S+ 0 0 112 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.873 114.9 52.5 -67.6 -41.6 50.4 -6.2 30.1 87 90 A F H X S+ 0 0 8 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.894 109.7 48.3 -62.1 -42.8 53.1 -5.4 27.4 88 91 A M H < S+ 0 0 23 -4,-2.4 3,-0.3 2,-0.2 -1,-0.2 0.845 111.5 51.3 -64.8 -36.2 53.8 -2.0 29.0 89 92 A D H >< S+ 0 0 110 -4,-1.5 3,-0.9 1,-0.2 -2,-0.2 0.876 110.6 47.7 -68.3 -37.3 54.1 -3.8 32.3 90 93 A A H 3< S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.539 114.0 48.6 -80.2 -7.9 56.5 -6.4 30.9 91 94 A S T 3X S+ 0 0 15 -4,-0.6 4,-2.9 -3,-0.3 -1,-0.2 0.173 78.1 106.9-113.7 13.2 58.6 -3.5 29.3 92 95 A A T <4 S+ 0 0 47 -3,-0.9 -2,-0.1 1,-0.2 -1,-0.1 0.820 77.2 51.5 -61.5 -37.2 58.7 -1.3 32.5 93 96 A L T 4 S+ 0 0 162 -4,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.921 132.1 10.9 -68.1 -48.7 62.5 -2.1 33.2 94 97 A T T 4 S- 0 0 119 3,-0.0 -2,-0.2 0, 0.0 -1,-0.1 0.653 102.9-129.3-104.6 -24.1 63.8 -1.1 29.7 95 98 A G < - 0 0 9 -4,-2.9 -3,-0.1 -7,-0.1 91,-0.1 0.294 37.0 -65.1 82.1 148.0 60.8 0.6 28.1 96 99 A I - 0 0 12 89,-0.5 2,-0.1 1,-0.1 5,-0.1 -0.456 65.5-106.3 -63.0 130.1 59.2 -0.2 24.7 97 100 A P >> - 0 0 81 0, 0.0 4,-1.9 0, 0.0 3,-1.4 -0.464 25.3-118.2 -64.7 136.1 61.9 0.8 22.1 98 101 A L H 3> S+ 0 0 64 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.788 112.2 58.0 -41.5 -45.0 61.0 4.0 20.2 99 102 A P H 3> S+ 0 0 66 0, 0.0 4,-1.6 0, 0.0 180,-0.3 0.877 112.3 42.2 -56.0 -38.3 60.8 2.3 16.7 100 103 A L H <> S+ 0 0 6 -3,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.881 112.1 53.0 -74.1 -40.8 58.1 -0.0 18.1 101 104 A I H X S+ 0 0 6 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.968 112.2 47.9 -54.9 -50.6 56.3 2.8 20.0 102 105 A K H X S+ 0 0 10 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.814 111.1 48.1 -59.8 -42.1 56.2 4.7 16.6 103 106 A S H X S+ 0 0 3 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.898 111.3 51.3 -68.0 -43.9 54.9 1.7 14.6 104 107 A Y H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.928 112.0 46.9 -57.7 -47.0 52.2 1.1 17.2 105 108 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.888 111.8 50.5 -62.2 -44.5 51.1 4.8 17.0 106 109 A F H X S+ 0 0 56 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.919 113.3 44.8 -60.1 -47.2 51.1 4.9 13.2 107 110 A Q H X S+ 0 0 4 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.867 113.0 50.8 -66.1 -41.4 48.9 1.7 12.9 108 111 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.883 109.8 50.5 -65.0 -37.9 46.5 2.9 15.6 109 112 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.887 109.1 51.6 -66.0 -38.2 46.2 6.2 13.7 110 113 A Q H X S+ 0 0 68 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.922 110.8 49.0 -60.6 -43.9 45.4 4.2 10.6 111 114 A G H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.876 114.1 44.9 -59.8 -45.0 42.8 2.3 12.6 112 115 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.937 108.4 55.7 -66.8 -50.0 41.3 5.6 13.8 113 116 A A H X S+ 0 0 21 -4,-3.0 4,-0.7 1,-0.2 -2,-0.2 0.809 110.1 48.8 -53.5 -35.4 41.4 7.4 10.4 114 117 A F H X S+ 0 0 47 -4,-1.5 4,-0.9 -5,-0.2 3,-0.4 0.928 113.7 43.5 -71.4 -49.5 39.3 4.4 9.0 115 118 A C H ><>S+ 0 0 0 -4,-1.7 5,-1.8 1,-0.2 3,-0.9 0.923 114.0 51.2 -60.0 -49.2 36.6 4.5 11.9 116 119 A H H 3<5S+ 0 0 32 -4,-3.1 3,-0.4 1,-0.2 -1,-0.2 0.678 104.1 58.0 -62.2 -25.2 36.4 8.3 11.7 117 120 A S H 3<5S+ 0 0 67 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.759 109.8 44.7 -76.5 -25.0 35.9 8.2 7.9 118 121 A H T <<5S- 0 0 83 -4,-0.9 -2,-0.2 -3,-0.9 -1,-0.2 0.286 121.9-108.6 -98.5 6.3 32.7 6.0 8.6 119 122 A R T 5S+ 0 0 198 -3,-0.4 2,-0.4 1,-0.2 -3,-0.2 0.930 74.4 139.5 61.3 51.1 31.6 8.3 11.4 120 123 A V < - 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