==== 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 2VTM . 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) . 14186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 63.4 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 . 37 12.8 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 26.9 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 3 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 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 60 0, 0.0 3,-2.1 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 118.2 13.6 5.6 75.6 2 2 A E T 3 + 0 0 146 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.665 360.0 54.8 -58.3 -26.1 13.6 4.2 79.2 3 3 A N T 3 S+ 0 0 58 20,-0.1 21,-3.1 21,-0.0 2,-0.4 0.426 101.7 73.9 -91.0 5.3 16.2 1.4 78.6 4 4 A F < - 0 0 13 -3,-2.1 2,-0.5 19,-0.2 19,-0.2 -0.894 60.6-158.2-127.6 140.1 18.8 3.8 77.3 5 5 A Q - 0 0 91 -2,-0.4 17,-1.7 17,-0.3 2,-0.4 -0.977 27.3-130.2-116.6 107.7 21.0 6.5 78.9 6 6 A K E -A 21 0A 91 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.501 25.8-179.4 -65.7 114.3 22.1 9.1 76.4 7 7 A V E - 0 0 68 13,-2.7 2,-0.3 -2,-0.4 14,-0.2 0.908 63.3 -32.3 -76.9 -55.2 25.9 9.5 76.8 8 8 A E E -A 20 0A 107 12,-1.6 12,-3.0 0, 0.0 -1,-0.3 -0.954 56.8-101.6-160.9 151.6 26.2 12.2 74.1 9 9 A K E +A 19 0A 115 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.549 41.1 171.8 -60.1 136.7 24.9 13.5 70.8 10 10 A I E - 0 0 65 8,-3.1 2,-0.3 1,-0.3 9,-0.2 0.389 54.9 -2.6-132.2 -3.4 27.4 12.2 68.3 11 11 A G E -A 18 0A 26 7,-1.3 7,-1.3 2,-0.0 -1,-0.3 -0.955 47.4-134.3-168.8-179.7 25.7 13.1 65.0 12 12 A E E -A 17 0A 65 -2,-0.3 5,-0.2 5,-0.2 141,-0.1 -0.645 33.5-166.9-153.6 86.9 22.8 14.5 63.1 13 13 A G - 0 0 20 3,-2.3 139,-0.6 -2,-0.1 140,-0.3 0.050 42.0 -97.3 -66.0 178.7 21.8 12.2 60.2 14 14 A T S S+ 0 0 19 137,-0.2 138,-1.1 1,-0.2 140,-0.1 0.954 130.8 45.2 -58.2 -39.6 19.5 13.0 57.3 15 15 A Y S S- 0 0 39 1,-0.2 2,-0.3 136,-0.1 -1,-0.2 0.786 123.3 -81.4 -80.8 -29.2 17.1 11.1 59.5 16 16 A G - 0 0 6 19,-0.1 -3,-2.3 137,-0.0 -1,-0.2 -0.990 69.4 -12.7 155.6-166.4 17.7 12.7 62.9 17 17 A V E -A 12 0A 23 -2,-0.3 17,-2.4 -5,-0.2 2,-0.5 -0.336 47.8-154.8 -69.3 139.8 19.8 12.9 66.0 18 18 A V E -AB 11 33A 14 -7,-1.3 -8,-3.1 15,-0.2 -7,-1.3 -0.988 14.5-170.6-112.9 122.0 22.3 10.1 66.7 19 19 A Y E -AB 9 32A 46 13,-2.9 13,-3.7 -2,-0.5 2,-0.5 -0.821 25.6-132.6-108.2 146.1 23.3 9.5 70.3 20 20 A K E +AB 8 31A 43 -12,-3.0 -13,-2.7 -2,-0.3 -12,-1.6 -0.894 46.4 169.6 -82.2 132.6 25.9 7.3 71.9 21 21 A A E -AB 6 30A 0 9,-2.2 9,-2.4 -2,-0.5 2,-0.5 -0.946 33.1-129.6-146.7 162.2 24.0 5.6 74.7 22 22 A R E - B 0 29A 118 -17,-1.7 -17,-0.3 -2,-0.3 7,-0.3 -0.900 25.8-121.5-126.5 107.1 24.3 2.7 77.2 23 23 A N > - 0 0 14 5,-2.2 4,-1.6 -2,-0.5 -19,-0.2 -0.164 20.5-141.5 -35.2 116.9 21.7 -0.0 77.6 24 24 A K T 4 S+ 0 0 130 -21,-3.1 -1,-0.2 1,-0.2 -20,-0.1 0.553 95.3 27.0 -73.8 -10.8 20.5 0.1 81.2 25 25 A L T 4 S+ 0 0 137 -22,-0.3 -1,-0.2 3,-0.1 -2,-0.1 0.665 125.8 42.6-116.0 -32.3 20.3 -3.7 81.7 26 26 A T T 4 S- 0 0 68 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.422 90.9-134.8 -98.6 2.6 22.8 -5.0 79.2 27 27 A G < + 0 0 41 -4,-1.6 -3,-0.1 1,-0.2 -1,-0.0 0.200 56.1 148.9 62.6 -19.8 25.6 -2.5 79.9 28 28 A E - 0 0 76 -6,-0.1 -5,-2.2 1,-0.1 2,-0.4 -0.138 43.3-144.1 -48.3 129.1 25.9 -2.3 76.1 29 29 A V E +B 22 0A 50 -7,-0.3 46,-0.7 -3,-0.1 2,-0.3 -0.838 32.9 164.3 -92.1 135.4 27.0 0.9 74.5 30 30 A V E -BC 21 74A 0 -9,-2.4 -9,-2.2 -2,-0.4 2,-0.6 -0.882 44.6-102.9-139.7 167.4 25.2 1.5 71.2 31 31 A A E -BC 20 73A 11 42,-3.1 42,-2.8 -2,-0.3 2,-0.6 -0.926 38.2-153.7 -96.6 125.3 24.5 4.2 68.6 32 32 A L E -BC 19 72A 0 -13,-3.7 -13,-2.9 -2,-0.6 2,-0.5 -0.914 8.2-163.4-107.1 116.0 20.9 5.3 69.2 33 33 A K E -BC 18 71A 26 38,-3.8 38,-2.2 -2,-0.6 2,-0.5 -0.864 6.3-157.4-101.6 124.6 19.1 6.8 66.2 34 34 A K E C 0 70A 56 -17,-2.4 36,-0.2 -2,-0.5 -2,-0.0 -0.808 360.0 360.0 -97.6 125.9 15.9 8.8 66.4 35 35 A I 0 0 57 34,-2.8 34,-1.1 -2,-0.5 -19,-0.1 -0.947 360.0 360.0-114.6 360.0 13.9 8.8 63.2 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 31,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 125.5 4.7 5.8 61.4 38 45 A P > - 0 0 77 0, 0.0 4,-1.6 0, 0.0 5,-0.2 -0.137 360.0-138.8 -61.6 141.7 4.3 4.1 58.0 39 46 A S H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.915 104.0 54.5 -61.6 -52.9 3.6 0.4 57.8 40 47 A T H > S+ 0 0 94 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.869 105.1 52.8 -43.1 -50.8 6.0 0.0 54.8 41 48 A A H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.888 108.3 49.2 -66.1 -41.4 8.9 1.6 56.7 42 49 A I H X S+ 0 0 56 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.893 111.8 49.3 -63.0 -34.8 8.6 -0.7 59.7 43 50 A R H X S+ 0 0 163 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.830 112.1 49.3 -73.5 -28.5 8.5 -3.7 57.4 44 51 A E H X S+ 0 0 47 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.886 109.6 50.3 -74.5 -42.5 11.6 -2.4 55.5 45 52 A I H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.841 106.1 56.4 -62.0 -31.4 13.6 -1.8 58.7 46 53 A S H < S+ 0 0 39 -4,-1.3 4,-0.4 1,-0.3 -1,-0.2 0.822 101.5 56.1 -83.0 -23.9 12.8 -5.3 60.0 47 54 A L H >X S+ 0 0 89 -4,-1.0 3,-1.3 1,-0.2 4,-0.7 0.875 101.8 59.3 -56.6 -41.4 14.3 -6.8 56.8 48 55 A L H >< S+ 0 0 15 -4,-1.1 3,-0.6 1,-0.3 11,-0.3 0.791 91.3 68.7 -67.2 -27.4 17.5 -4.8 57.7 49 56 A K T 3< S+ 0 0 61 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.767 103.7 43.2 -57.7 -28.7 17.7 -6.7 61.1 50 57 A E T <4 S+ 0 0 152 -3,-1.3 2,-2.1 -4,-0.4 -1,-0.2 0.619 87.8 93.6 -95.7 -13.0 18.6 -9.9 59.3 51 58 A L << + 0 0 17 -4,-0.7 2,-0.3 -3,-0.6 -1,-0.1 -0.471 60.2 165.0 -83.1 78.8 21.0 -8.4 56.8 52 59 A N + 0 0 69 -2,-2.1 5,-0.1 6,-0.1 -3,-0.0 -0.759 8.2 149.3-107.2 142.3 24.1 -9.0 58.8 53 60 A H > - 0 0 48 3,-0.4 3,-1.7 -2,-0.3 54,-0.0 -0.959 54.0-113.3-165.2 146.3 27.7 -8.9 57.7 54 61 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.694 118.9 50.0 -58.2 -23.9 31.1 -8.0 59.3 55 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.303 98.3 77.6-104.9 20.3 31.3 -4.9 57.0 56 63 A I B < S-e 136 0B 9 -3,-1.7 -3,-0.4 79,-0.3 2,-0.3 -0.966 90.6-113.1-129.9 126.5 27.8 -3.7 57.8 57 64 A V - 0 0 9 79,-2.6 2,-0.2 -2,-0.4 82,-0.2 -0.534 43.8-112.3 -60.2 124.2 27.2 -1.8 61.1 58 65 A K - 0 0 97 -2,-0.3 16,-2.4 1,-0.1 2,-0.8 -0.417 14.8-141.0 -75.2 125.4 24.9 -4.1 63.0 59 66 A L E -D 73 0A 10 -11,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.828 22.5-176.3 -72.6 104.6 21.3 -3.0 63.6 60 67 A L E - 0 0 29 12,-2.5 2,-0.3 -2,-0.8 13,-0.2 0.922 58.2 -10.4 -76.5 -43.3 20.9 -4.3 67.2 61 68 A D E -D 72 0A 71 11,-1.7 11,-2.5 2,-0.0 2,-0.5 -0.978 48.3-142.7-157.1 158.2 17.2 -3.3 67.7 62 69 A V E -D 71 0A 39 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.994 21.0-162.7-127.5 115.2 14.3 -1.4 66.2 63 70 A I E -D 70 0A 34 7,-2.9 7,-2.1 -2,-0.5 2,-0.7 -0.915 9.9-177.9-106.7 107.7 12.1 0.3 68.8 64 71 A H E +D 69 0A 87 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.910 28.2 140.0 -98.6 98.6 8.6 1.3 67.7 65 72 A T E > +D 68 0A 55 3,-1.3 3,-2.2 -2,-0.7 -2,-0.1 -0.987 64.8 3.3-135.2 143.4 7.0 3.1 70.8 66 73 A E T 3 S- 0 0 167 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.653 122.2 -68.0 61.4 21.1 4.8 6.2 71.0 67 74 A N T 3 S+ 0 0 131 1,-0.4 -1,-0.3 -30,-0.0 2,-0.3 0.476 112.5 119.7 69.1 5.1 4.8 6.6 67.2 68 75 A K E < - D 0 65A 104 -3,-2.2 -3,-1.3 -31,-0.1 2,-0.4 -0.697 56.3-145.8 -89.2 148.7 8.5 7.4 67.5 69 76 A L E - D 0 64A 9 -34,-1.1 -34,-2.8 -2,-0.3 2,-0.4 -0.987 17.4-179.3-117.3 130.1 11.0 5.2 65.8 70 77 A Y E -CD 34 63A 15 -7,-2.1 -7,-2.9 -2,-0.4 2,-0.4 -0.984 10.0-160.0-125.0 138.4 14.5 4.4 67.3 71 78 A L E -CD 33 62A 0 -38,-2.2 -38,-3.8 -2,-0.4 2,-0.5 -0.980 6.0-154.1-119.1 134.7 17.2 2.3 65.8 72 79 A V E +CD 32 61A 1 -11,-2.5 -12,-2.5 -2,-0.4 -11,-1.7 -0.948 18.9 176.9-109.9 120.6 19.9 0.9 67.9 73 80 A F E -CD 31 59A 14 -42,-2.8 -42,-3.1 -2,-0.5 -14,-0.2 -0.811 39.3 -90.5-114.2 157.2 23.2 0.1 66.1 74 81 A E E -C 30 0A 48 -16,-2.4 2,-0.4 -2,-0.3 -44,-0.2 -0.423 49.9-116.7 -57.1 145.1 26.6 -1.2 67.3 75 82 A F - 0 0 37 -46,-0.7 2,-0.3 -2,-0.1 -46,-0.1 -0.726 31.6-177.0 -94.6 128.4 28.8 1.8 68.3 76 83 A L - 0 0 17 -2,-0.4 53,-0.1 53,-0.1 52,-0.1 -0.963 24.6-134.5-118.5 149.0 32.1 2.4 66.4 77 84 A H S S+ 0 0 105 -2,-0.3 2,-0.3 51,-0.3 52,-0.1 0.658 74.5 26.3 -87.5 -18.4 34.3 5.2 67.5 78 85 A Q E -F 128 0B 30 50,-1.2 50,-3.0 213,-0.0 2,-0.2 -0.986 58.4-141.7-143.0 159.3 35.2 6.9 64.3 79 86 A D E > -F 127 0B 21 -2,-0.3 4,-1.5 48,-0.3 48,-0.2 -0.730 33.2-112.7-111.6 163.2 34.1 7.6 60.7 80 87 A L H > S+ 0 0 0 46,-2.1 4,-2.2 43,-1.1 44,-0.2 0.760 112.2 64.3 -68.7 -22.3 36.2 7.8 57.6 81 88 A K H > S+ 0 0 76 42,-0.7 4,-2.2 45,-0.3 -1,-0.2 0.970 107.7 38.5 -65.1 -51.8 35.6 11.5 57.2 82 89 A K H > S+ 0 0 109 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.767 114.1 55.5 -67.9 -32.6 37.4 12.4 60.5 83 90 A F H X S+ 0 0 13 -4,-1.5 4,-0.9 2,-0.2 -1,-0.2 0.881 110.3 46.7 -66.1 -39.0 40.1 9.8 59.8 84 91 A M H < S+ 0 0 22 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.844 112.6 47.6 -67.6 -46.5 40.7 11.5 56.4 85 92 A D H >< S+ 0 0 96 -4,-2.2 3,-2.2 1,-0.2 4,-0.2 0.977 112.5 51.5 -54.5 -56.1 40.8 15.0 58.0 86 93 A A H 3< S+ 0 0 82 -4,-2.5 -2,-0.2 1,-0.3 3,-0.2 0.690 113.8 43.1 -51.9 -31.1 43.2 13.6 60.6 87 94 A S T 3X S+ 0 0 19 -4,-0.9 4,-3.4 1,-0.1 3,-0.4 0.079 80.9 114.4-102.8 22.7 45.5 12.1 57.9 88 95 A A T <4 S+ 0 0 47 -3,-2.2 -1,-0.1 1,-0.2 -2,-0.1 0.864 72.4 51.2 -60.7 -40.1 45.4 15.2 55.6 89 96 A L T 4 S+ 0 0 167 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.762 129.7 16.0 -74.1 -30.1 49.1 16.1 56.0 90 97 A T T 4 S- 0 0 113 -3,-0.4 -2,-0.2 3,-0.0 -1,-0.2 0.621 100.9-129.1-119.0 -21.9 50.4 12.7 55.1 91 98 A G < - 0 0 11 -4,-3.4 -3,-0.1 -7,-0.2 99,-0.1 0.136 36.5 -65.9 83.1 152.0 47.5 10.7 53.5 92 99 A I - 0 0 12 97,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.610 63.0-106.6 -71.4 126.0 46.1 7.3 54.3 93 100 A P >> - 0 0 82 0, 0.0 4,-1.9 0, 0.0 3,-1.2 -0.340 28.6-120.2 -59.6 139.4 48.9 4.8 53.5 94 101 A L H 3> S+ 0 0 61 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.783 111.1 58.2 -47.9 -40.0 47.9 2.9 50.3 95 102 A P H 3> S+ 0 0 65 0, 0.0 4,-1.3 0, 0.0 188,-0.4 0.868 109.9 46.2 -64.2 -29.1 47.8 -0.5 51.9 96 103 A L H <> S+ 0 0 6 -3,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.851 111.4 51.3 -75.5 -36.2 45.3 0.8 54.3 97 104 A I H X S+ 0 0 5 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.915 110.4 49.2 -66.1 -42.4 43.3 2.4 51.5 98 105 A K H X S+ 0 0 12 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.864 110.3 51.4 -64.9 -34.9 43.3 -0.8 49.6 99 106 A S H X S+ 0 0 3 -4,-1.3 4,-2.3 2,-0.2 5,-0.2 0.928 111.1 47.0 -69.0 -50.0 42.1 -2.7 52.8 100 107 A Y H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.888 113.1 48.2 -56.4 -48.3 39.2 -0.4 53.4 101 108 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.944 112.7 49.9 -59.3 -43.0 38.1 -0.5 49.7 102 109 A F H X S+ 0 0 54 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.842 113.1 44.9 -64.5 -42.4 38.3 -4.2 49.7 103 110 A Q H X S+ 0 0 13 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.915 112.9 51.4 -70.1 -42.5 36.2 -4.5 52.9 104 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.876 107.7 51.8 -62.6 -40.3 33.7 -2.0 51.7 105 112 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.804 107.4 54.4 -61.0 -35.0 33.3 -3.9 48.4 106 113 A Q H X S+ 0 0 66 -4,-1.1 4,-2.4 -5,-0.2 -2,-0.2 0.940 107.3 50.1 -60.0 -50.8 32.6 -7.0 50.5 107 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.935 114.5 43.7 -46.7 -55.9 29.9 -5.2 52.3 108 115 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.910 108.6 56.2 -63.4 -48.1 28.3 -4.1 49.0 109 116 A A H X S+ 0 0 21 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.966 112.4 45.1 -51.0 -46.3 28.7 -7.5 47.4 110 117 A F H X S+ 0 0 47 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.923 116.4 43.4 -55.6 -59.5 26.7 -8.9 50.4 111 118 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 3,-0.7 0.932 115.7 48.4 -55.3 -48.0 24.0 -6.2 50.4 112 119 A H H ><5S+ 0 0 23 -4,-3.1 3,-2.3 1,-0.3 -1,-0.2 0.802 101.3 62.6 -65.8 -35.0 23.6 -6.2 46.7 113 120 A S H 3<5S+ 0 0 69 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.846 106.8 47.6 -61.6 -27.7 23.3 -10.0 46.5 114 121 A H T <<5S- 0 0 91 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.080 122.6-110.9 -94.9 15.1 20.2 -9.5 48.6 115 122 A R T < 5S+ 0 0 181 -3,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.708 74.3 138.1 64.2 23.5 19.0 -6.8 46.3 116 123 A V < - 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