==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-MAY-08 2VTL . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.G.WYATT,A.J.WOODHEAD,J.A.BOULSTRIDGE,V.BERDINI,M.G.CARR,D. . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 62.1 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 13.4 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 . 17 5.9 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 . 77 26.6 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 2 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 . 1 1 1 0 2 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 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,-2.3 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 111.6 13.6 5.6 75.4 2 2 A E T 3 + 0 0 135 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.620 360.0 59.8 -58.8 -19.7 13.6 4.3 79.0 3 3 A N T 3 S+ 0 0 75 20,-0.1 21,-2.1 21,-0.0 22,-0.4 0.430 101.0 67.4 -90.4 2.3 16.0 1.5 78.3 4 4 A F E < -A 23 0A 17 -3,-2.3 2,-0.5 19,-0.2 19,-0.2 -0.956 61.9-153.3-129.9 142.8 18.8 3.8 77.2 5 5 A Q E -A 22 0A 83 17,-2.5 17,-2.5 -2,-0.4 2,-0.4 -0.961 26.2-132.6-111.2 113.2 20.9 6.5 78.8 6 6 A K E -A 21 0A 105 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.502 24.9-179.6 -70.1 120.9 22.1 9.1 76.2 7 7 A V E - 0 0 64 13,-3.2 2,-0.3 -2,-0.4 14,-0.2 0.909 61.1 -26.1 -87.7 -58.8 25.8 9.6 76.7 8 8 A E E -A 20 0A 105 12,-1.2 12,-3.7 3,-0.0 2,-0.5 -0.955 59.9-104.3-147.8 153.6 26.5 12.3 74.0 9 9 A K E -A 19 0A 114 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.690 34.7-177.7 -63.2 121.3 25.1 13.6 70.7 10 10 A I E - 0 0 71 8,-2.6 2,-0.3 -2,-0.5 9,-0.2 0.734 54.9 -43.2 -94.7 -24.8 27.6 12.2 68.2 11 11 A G E -A 18 0A 26 7,-1.5 7,-2.5 -3,-0.1 2,-0.5 -0.963 50.1 -93.1 179.9-174.8 26.0 13.8 65.2 12 12 A E E -A 17 0A 87 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.997 37.7-166.2-134.6 110.8 23.1 14.8 63.0 13 13 A G - 0 0 20 3,-2.4 139,-0.4 -2,-0.5 140,-0.2 -0.314 41.3 -92.2 -85.0-174.3 22.1 12.4 60.3 14 14 A T S S+ 0 0 15 1,-0.2 138,-1.1 137,-0.2 139,-0.1 0.919 126.5 35.1 -67.4 -29.7 19.8 12.9 57.4 15 15 A Y S S- 0 0 46 1,-0.2 2,-0.3 136,-0.2 -1,-0.2 0.766 126.0 -52.1 -99.8 -28.3 16.9 11.7 59.5 16 16 A G S S- 0 0 8 19,-0.1 -3,-2.4 137,-0.0 -1,-0.2 -0.990 76.3 -30.9 172.5-175.7 17.6 12.9 63.0 17 17 A V E -A 12 0A 22 -2,-0.3 17,-2.2 -5,-0.2 2,-0.5 -0.242 46.3-144.9 -63.3 144.6 20.0 13.2 65.9 18 18 A V E -AB 11 33A 15 -7,-2.5 -8,-2.6 15,-0.2 -7,-1.5 -0.963 19.7-169.4-110.8 124.4 22.5 10.4 66.5 19 19 A Y E -AB 9 32A 47 13,-2.8 13,-3.0 -2,-0.5 2,-0.5 -0.891 25.6-135.4-113.2 142.5 23.3 9.7 70.1 20 20 A K E +AB 8 31A 41 -12,-3.7 -13,-3.2 -2,-0.4 -12,-1.2 -0.873 45.9 172.2 -80.9 129.5 25.9 7.5 71.8 21 21 A A E -AB 6 30A 0 9,-2.3 9,-2.6 -2,-0.5 2,-0.4 -0.969 31.0-133.5-141.5 153.8 23.8 5.7 74.4 22 22 A R E -AB 5 29A 93 -17,-2.5 -17,-2.5 -2,-0.3 2,-0.8 -0.948 25.1-120.5-111.5 137.3 24.1 3.0 77.0 23 23 A N E > -A 4 0A 18 5,-3.0 4,-2.4 -2,-0.4 -19,-0.2 -0.612 22.0-141.3 -72.2 110.9 21.6 0.1 77.4 24 24 A K T 4 S+ 0 0 133 -21,-2.1 -1,-0.1 -2,-0.8 -20,-0.1 0.522 94.0 23.7 -58.5 -10.5 20.5 0.5 81.1 25 25 A L T 4 S+ 0 0 131 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.732 124.0 43.6-119.7 -49.2 20.4 -3.3 81.5 26 26 A T T 4 S- 0 0 82 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.610 92.9-134.4 -70.8 -15.5 22.7 -5.1 79.1 27 27 A G < + 0 0 45 -4,-2.4 -3,-0.1 1,-0.2 -1,-0.1 0.350 53.5 150.3 73.9 -4.7 25.4 -2.5 79.7 28 28 A E - 0 0 88 -5,-0.2 -5,-3.0 -6,-0.1 2,-0.5 -0.286 44.2-139.2 -60.1 128.7 25.9 -2.3 75.9 29 29 A V E +B 22 0A 57 -7,-0.2 46,-0.7 -3,-0.1 2,-0.3 -0.891 36.7 167.5 -88.0 127.7 27.1 1.0 74.3 30 30 A V E -BC 21 74A 1 -9,-2.6 -9,-2.3 -2,-0.5 2,-0.5 -0.818 41.4-109.1-128.6 170.0 25.2 1.6 71.1 31 31 A A E -BC 20 73A 10 42,-3.4 42,-3.1 -2,-0.3 2,-0.5 -0.932 34.2-159.2-100.1 130.7 24.5 4.2 68.5 32 32 A L E -BC 19 72A 2 -13,-3.0 -13,-2.8 -2,-0.5 2,-0.6 -0.940 5.3-166.9-112.8 119.8 20.9 5.4 68.9 33 33 A K E -BC 18 71A 32 38,-2.8 38,-2.1 -2,-0.5 2,-0.4 -0.910 8.6-152.1-110.9 119.4 19.3 7.2 65.9 34 34 A K E C 0 70A 45 -17,-2.2 36,-0.2 -2,-0.6 34,-0.0 -0.725 360.0 360.0 -86.0 130.2 16.0 9.0 66.3 35 35 A I 0 0 58 34,-3.0 34,-1.0 -2,-0.4 -19,-0.1 -0.891 360.0 360.0-115.9 360.0 14.0 9.1 63.1 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 79 0, 0.0 5,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 121.5 4.5 6.1 60.9 38 45 A P > - 0 0 80 0, 0.0 4,-1.7 0, 0.0 3,-0.2 -0.147 360.0-143.9 -56.8 131.4 4.4 4.4 57.5 39 46 A S H > S+ 0 0 72 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.838 102.1 55.5 -57.1 -39.8 3.6 0.7 57.6 40 47 A T H > S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.833 103.1 52.8 -63.2 -43.8 5.9 0.3 54.7 41 48 A A H > S+ 0 0 2 -3,-0.2 4,-2.9 2,-0.2 5,-0.2 0.928 107.9 51.1 -61.9 -43.1 8.9 1.9 56.4 42 49 A I H X S+ 0 0 56 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.876 110.9 47.1 -68.1 -36.8 8.6 -0.4 59.4 43 50 A R H X S+ 0 0 149 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.860 112.3 52.0 -67.6 -38.2 8.5 -3.6 57.3 44 51 A E H X S+ 0 0 51 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.948 110.6 46.0 -62.7 -47.0 11.5 -2.3 55.3 45 52 A I H >X S+ 0 0 0 -4,-2.9 3,-1.1 1,-0.2 4,-0.9 0.891 107.4 59.3 -64.6 -33.9 13.6 -1.6 58.4 46 53 A S H >< S+ 0 0 35 -4,-1.7 3,-0.9 1,-0.3 4,-0.4 0.903 100.9 53.9 -69.0 -33.0 12.7 -4.9 59.9 47 54 A L H >< S+ 0 0 91 -4,-1.6 3,-0.9 1,-0.2 -1,-0.3 0.767 100.0 63.8 -66.4 -21.9 14.2 -6.8 56.9 48 55 A L H X< S+ 0 0 20 -3,-1.1 3,-1.3 -4,-0.7 11,-0.3 0.797 86.9 72.3 -75.0 -26.3 17.4 -4.8 57.6 49 56 A K T << S+ 0 0 59 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.705 101.2 43.6 -58.2 -23.8 17.7 -6.6 60.9 50 57 A E T < S+ 0 0 153 -3,-0.9 2,-1.5 -4,-0.4 -1,-0.3 0.469 84.6 96.2-106.5 3.6 18.6 -9.7 59.1 51 58 A L < + 0 0 16 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.1 -0.500 59.3 168.2 -92.1 79.0 21.0 -8.2 56.6 52 59 A N + 0 0 77 -2,-1.5 5,-0.1 6,-0.1 -3,-0.0 -0.666 8.3 149.1-105.2 127.8 24.2 -9.0 58.7 53 60 A H > - 0 0 43 3,-0.4 3,-2.3 -2,-0.3 54,-0.0 -0.961 54.4-114.6-154.2 149.7 27.8 -8.8 57.5 54 61 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.753 119.2 47.3 -59.4 -23.3 31.2 -8.0 59.2 55 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.6 48,-0.1 2,-0.4 0.272 97.1 78.3-106.4 19.2 31.3 -4.8 57.0 56 63 A I B < S-e 136 0B 10 -3,-2.3 -3,-0.4 79,-0.3 2,-0.3 -0.965 91.8-110.5-123.8 125.9 27.7 -3.5 57.5 57 64 A V - 0 0 8 79,-2.9 2,-0.2 -2,-0.4 81,-0.1 -0.544 44.5-112.8 -56.9 123.1 27.1 -1.6 60.8 58 65 A K - 0 0 102 -2,-0.3 16,-2.8 1,-0.1 2,-0.9 -0.424 16.6-141.4 -68.3 127.2 24.8 -4.1 62.7 59 66 A L E -D 73 0A 10 -11,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.768 21.7-178.1 -79.4 109.6 21.3 -2.9 63.3 60 67 A L E - 0 0 26 12,-2.4 2,-0.3 -2,-0.9 13,-0.2 0.910 57.8 -7.1 -77.7 -36.9 20.7 -4.2 66.9 61 68 A D E -D 72 0A 78 11,-1.7 11,-3.2 -3,-0.1 2,-0.5 -1.000 46.3-143.5-166.3 142.7 17.1 -3.1 67.2 62 69 A V E -D 71 0A 34 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.987 21.9-170.1-117.9 120.7 14.2 -1.3 65.9 63 70 A I E -D 70 0A 33 7,-2.7 7,-2.7 -2,-0.5 2,-0.7 -0.947 6.9-176.8-116.9 109.1 12.0 0.5 68.4 64 71 A H E +D 69 0A 76 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.934 23.1 149.4-102.8 110.9 8.7 1.9 67.4 65 72 A T E > -D 68 0A 45 3,-2.2 3,-3.5 -2,-0.7 -2,-0.1 -0.997 62.0 -3.9-140.8 138.2 7.0 3.7 70.3 66 73 A E T 3 S- 0 0 155 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.729 125.9 -58.4 62.2 28.3 4.7 6.7 70.5 67 74 A N T 3 S+ 0 0 130 1,-0.3 2,-0.4 -30,-0.0 -1,-0.3 0.663 115.9 123.0 68.2 14.8 4.9 7.3 66.8 68 75 A K E < - D 0 65A 97 -3,-3.5 -3,-2.2 -31,-0.1 2,-0.5 -0.852 51.2-152.8-103.8 146.1 8.6 7.7 67.4 69 76 A L E - D 0 64A 8 -34,-1.0 -34,-3.0 -2,-0.4 2,-0.4 -0.983 13.2-179.2-122.8 124.8 11.1 5.5 65.6 70 77 A Y E -CD 34 63A 14 -7,-2.7 -7,-2.7 -2,-0.5 2,-0.5 -0.988 11.8-158.9-125.1 128.8 14.5 4.6 67.0 71 78 A L E -CD 33 62A 0 -38,-2.1 -38,-2.8 -2,-0.4 2,-0.6 -0.888 9.0-153.2-103.2 130.4 17.2 2.5 65.3 72 79 A V E +CD 32 61A 2 -11,-3.2 -12,-2.4 -2,-0.5 -11,-1.7 -0.913 20.8 178.6-107.0 117.9 19.8 0.9 67.6 73 80 A F E -CD 31 59A 11 -42,-3.1 -42,-3.4 -2,-0.6 -14,-0.2 -0.873 37.9 -93.5-114.1 154.1 23.1 0.2 65.9 74 81 A E E -C 30 0A 47 -16,-2.8 2,-0.4 -2,-0.3 -44,-0.2 -0.347 51.6-116.7 -56.6 140.2 26.5 -1.2 67.0 75 82 A F - 0 0 31 -46,-0.7 2,-0.3 -18,-0.0 -1,-0.1 -0.654 30.7-174.3 -89.9 131.0 28.7 1.7 68.0 76 83 A L - 0 0 15 -2,-0.4 53,-0.1 53,-0.1 3,-0.0 -0.967 23.5-135.1-121.6 149.1 31.9 2.5 66.1 77 84 A H S S+ 0 0 101 -2,-0.3 2,-0.3 51,-0.3 52,-0.1 0.618 75.8 19.1 -86.2 -15.7 34.2 5.3 67.3 78 85 A Q E -F 128 0B 38 50,-1.1 50,-2.5 213,-0.0 2,-0.2 -0.997 60.8-137.1-148.2 158.3 35.0 7.2 64.2 79 86 A D E > -F 127 0B 20 -2,-0.3 4,-1.5 48,-0.3 48,-0.2 -0.635 31.8-112.2-107.6 167.5 33.9 7.8 60.6 80 87 A L H > S+ 0 0 0 46,-2.3 4,-1.8 43,-1.1 44,-0.2 0.706 111.5 62.5 -73.3 -27.3 36.1 8.0 57.5 81 88 A K H > S+ 0 0 82 42,-0.8 4,-2.2 45,-0.3 -1,-0.2 0.961 107.5 42.9 -64.2 -48.5 35.5 11.7 56.9 82 89 A K H > S+ 0 0 112 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.857 113.6 52.7 -57.9 -40.4 37.1 12.6 60.2 83 90 A F H X S+ 0 0 12 -4,-1.5 4,-0.5 2,-0.2 -1,-0.2 0.794 109.8 48.5 -65.9 -40.5 39.9 10.1 59.6 84 91 A M H < S+ 0 0 24 -4,-1.8 3,-0.3 2,-0.2 -2,-0.2 0.872 110.7 50.3 -65.8 -42.9 40.6 11.7 56.2 85 92 A D H >< S+ 0 0 97 -4,-2.2 3,-1.8 1,-0.2 4,-0.2 0.974 113.1 47.6 -55.8 -53.7 40.6 15.2 57.7 86 93 A A H 3< S+ 0 0 82 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.619 111.9 49.2 -58.2 -27.6 43.1 13.8 60.3 87 94 A S T 3X S+ 0 0 20 -4,-0.5 4,-2.5 -3,-0.3 -1,-0.3 0.092 80.4 112.5-101.8 21.6 45.2 12.2 57.6 88 95 A A T <4 + 0 0 45 -3,-1.8 -1,-0.1 1,-0.2 -2,-0.1 0.903 70.0 50.1 -59.5 -52.0 45.4 15.3 55.5 89 96 A L T 4 S+ 0 0 164 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.864 130.1 16.5 -62.3 -38.7 49.1 16.3 55.8 90 97 A T T 4 S- 0 0 116 -3,-0.0 -1,-0.2 3,-0.0 -2,-0.2 0.585 102.8-123.4-115.8 -8.7 50.4 12.8 54.9 91 98 A G < - 0 0 12 -4,-2.5 -3,-0.1 -7,-0.2 99,-0.1 0.380 36.4 -71.9 74.7 144.4 47.5 10.9 53.3 92 99 A I - 0 0 11 97,-0.5 5,-0.1 1,-0.1 100,-0.0 -0.588 66.1-106.6 -60.7 119.4 46.0 7.6 54.3 93 100 A P > - 0 0 78 0, 0.0 4,-1.5 0, 0.0 3,-0.5 -0.125 26.4-115.6 -47.0 152.6 48.8 5.1 53.3 94 101 A L H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.859 111.7 57.1 -67.7 -39.3 47.9 3.0 50.2 95 102 A P H > S+ 0 0 68 0, 0.0 4,-1.8 0, 0.0 188,-0.4 0.867 110.5 45.7 -63.1 -28.7 47.8 -0.4 51.8 96 103 A L H > S+ 0 0 6 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.800 109.9 53.0 -78.7 -31.8 45.2 1.0 54.2 97 104 A I H X S+ 0 0 5 -4,-1.5 4,-2.9 2,-0.2 5,-0.2 0.916 111.4 48.8 -64.7 -41.0 43.1 2.6 51.3 98 105 A K H X S+ 0 0 10 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.912 109.8 49.5 -66.1 -45.1 43.2 -0.7 49.5 99 106 A S H X S+ 0 0 3 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.914 112.8 48.5 -62.5 -44.1 42.0 -2.7 52.6 100 107 A Y H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.980 113.9 44.5 -60.6 -53.5 39.2 -0.2 53.2 101 108 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.914 113.9 51.7 -55.5 -47.0 38.0 -0.3 49.5 102 109 A F H X S+ 0 0 54 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.927 113.1 44.2 -53.7 -48.4 38.3 -4.1 49.6 103 110 A Q H X S+ 0 0 13 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.861 112.4 52.0 -64.4 -48.3 36.2 -4.4 52.8 104 111 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.892 108.3 51.7 -53.9 -44.3 33.6 -1.9 51.5 105 112 A L H X S+ 0 0 0 -4,-2.9 4,-3.3 -5,-0.3 -2,-0.2 0.883 107.4 52.3 -59.9 -42.3 33.3 -3.9 48.3 106 113 A Q H X S+ 0 0 62 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.916 109.6 50.5 -59.9 -44.4 32.7 -7.0 50.3 107 114 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.912 113.4 44.0 -52.5 -53.3 30.0 -5.1 52.1 108 115 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.917 109.6 56.0 -63.6 -44.4 28.3 -4.0 48.9 109 116 A A H X S+ 0 0 19 -4,-3.3 4,-1.2 2,-0.2 -1,-0.2 0.883 110.2 46.7 -55.4 -39.7 28.6 -7.4 47.3 110 117 A F H X S+ 0 0 49 -4,-1.8 4,-0.9 -5,-0.2 3,-0.3 0.966 117.4 40.4 -67.5 -57.0 26.7 -8.9 50.2 111 118 A C H ><>S+ 0 0 0 -4,-2.0 5,-2.7 1,-0.2 3,-0.6 0.893 115.7 51.4 -54.3 -51.7 23.9 -6.3 50.3 112 119 A H H ><5S+ 0 0 12 -4,-3.1 3,-1.0 3,-0.3 -1,-0.2 0.742 102.2 59.0 -58.2 -31.9 23.6 -6.2 46.6 113 120 A S H 3<5S+ 0 0 80 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.754 109.3 46.8 -72.5 -21.3 23.3 -10.0 46.3 114 121 A H T <<5S- 0 0 103 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.292 122.3-112.4 -99.6 7.1 20.3 -9.5 48.5 115 122 A R T < 5S+ 0 0 158 -3,-1.0 2,-0.6 1,-0.3 -3,-0.3 0.750 71.1 138.4 73.3 20.0 19.1 -6.7 46.3 116 123 A V < - 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