==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-OCT-08 2W1H . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.HOWARD,V.BERDINI,J.A.BOULSTRIDGE,M.G.CARR,D.M.CROSS, . 283 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14000.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 62.9 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 . 40 14.1 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 . 18 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 0 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 1 2 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 45 0, 0.0 3,-1.0 0, 0.0 66,-0.0 0.000 360.0 360.0 360.0 144.6 13.6 5.7 73.9 2 2 A E T 3 + 0 0 129 1,-0.2 22,-0.1 3,-0.1 0, 0.0 0.850 360.0 64.8 -64.7 -39.2 13.8 4.9 77.6 3 3 A N T 3 S+ 0 0 74 20,-0.1 21,-1.3 21,-0.1 22,-0.5 0.274 100.8 62.8 -72.6 15.4 16.1 1.9 77.4 4 4 A F E < -A 23 0A 23 -3,-1.0 2,-0.6 19,-0.3 19,-0.2 -1.000 64.5-154.2-142.9 141.0 18.9 4.1 76.0 5 5 A Q E -A 22 0A 90 17,-2.2 17,-1.0 -2,-0.3 -3,-0.1 -0.858 25.2-134.4-118.0 95.6 20.9 7.0 77.3 6 6 A K E -A 21 0A 92 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.136 22.3-177.7 -46.6 135.9 22.2 9.2 74.5 7 7 A V E - 0 0 71 13,-3.0 2,-0.3 1,-0.4 14,-0.2 0.683 62.0 -33.0-107.7 -31.1 25.8 10.2 75.1 8 8 A E E -A 20 0A 116 12,-1.3 12,-3.0 0, 0.0 2,-0.6 -0.932 60.0 -90.8 177.4 158.9 26.2 12.4 72.0 9 9 A K E +A 19 0A 109 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.729 32.8 177.8 -83.6 120.3 25.2 13.1 68.4 10 10 A I E - 0 0 75 8,-1.5 2,-0.3 -2,-0.6 9,-0.2 0.446 62.1 -16.3-103.3 -1.1 27.7 11.4 66.1 11 11 A G E -A 18 0A 26 7,-1.2 7,-2.7 2,-0.0 2,-0.7 -0.909 51.4-115.4 170.8 160.4 26.0 12.5 62.9 12 12 A E E -A 17 0A 111 -2,-0.3 5,-0.2 5,-0.2 4,-0.1 -0.792 43.5-169.4-113.4 84.3 23.1 13.9 60.9 13 13 A G - 0 0 32 -2,-0.7 3,-0.4 3,-0.6 5,-0.0 0.255 34.1 -98.3 -59.5-168.3 22.0 11.1 58.7 14 14 A T S S+ 0 0 63 1,-0.2 2,-0.7 3,-0.0 3,-0.1 0.940 117.6 31.8 -81.0 -54.0 19.5 11.3 55.8 15 15 A Y S S- 0 0 34 1,-0.2 -1,-0.2 20,-0.0 21,-0.2 -0.513 133.0 -32.3-103.9 62.2 16.4 10.0 57.6 16 16 A G S S- 0 0 19 -2,-0.7 -3,-0.6 -3,-0.4 2,-0.2 -0.337 79.9 -60.9 114.6 164.5 17.1 11.2 61.1 17 17 A V E -A 12 0A 34 -5,-0.2 17,-2.2 19,-0.2 2,-0.4 -0.534 41.4-136.9 -86.0 150.0 19.9 12.0 63.5 18 18 A V E -AB 11 33A 24 -7,-2.7 -8,-1.5 15,-0.2 -7,-1.2 -0.892 20.9-173.2-110.2 137.9 22.4 9.4 64.8 19 19 A Y E -AB 9 32A 48 13,-2.7 13,-2.8 -2,-0.4 2,-0.5 -0.936 26.4-128.5-129.4 150.7 23.4 9.2 68.4 20 20 A K E +AB 8 31A 61 -12,-3.0 -13,-3.0 -2,-0.3 -12,-1.3 -0.835 46.2 170.5 -92.1 135.2 26.0 7.1 70.3 21 21 A A E -AB 6 30A 0 9,-3.0 9,-3.9 -2,-0.5 2,-0.5 -0.983 33.9-132.4-148.8 160.0 24.1 5.6 73.2 22 22 A R E -AB 5 29A 105 -17,-1.0 -17,-2.2 -2,-0.3 2,-0.4 -0.949 27.6-123.3-115.5 130.7 24.3 3.1 76.1 23 23 A N E > -A 4 0A 18 5,-2.8 4,-1.1 -2,-0.5 -19,-0.3 -0.593 14.2-145.6 -72.3 124.5 21.6 0.6 76.7 24 24 A K T 4 S+ 0 0 138 -21,-1.3 -1,-0.2 -2,-0.4 -20,-0.1 0.813 94.6 36.3 -60.8 -31.0 20.4 1.0 80.3 25 25 A L T 4 S+ 0 0 114 -22,-0.5 -1,-0.1 3,-0.1 -21,-0.1 0.952 126.2 28.4 -85.3 -74.5 19.8 -2.7 80.6 26 26 A T T 4 S- 0 0 99 1,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.846 92.5-137.2 -58.5 -37.3 22.5 -4.7 78.7 27 27 A G < + 0 0 32 -4,-1.1 -1,-0.1 1,-0.3 -3,-0.1 0.314 54.2 139.2 96.2 -9.1 25.1 -1.9 79.2 28 28 A E - 0 0 118 -6,-0.1 -5,-2.8 1,-0.1 -1,-0.3 -0.371 52.8-126.5 -71.4 144.5 26.4 -2.1 75.6 29 29 A V E +B 22 0A 40 -7,-0.2 50,-0.5 -3,-0.1 2,-0.3 -0.728 41.0 166.6 -89.2 143.2 27.2 1.1 73.7 30 30 A V E -BC 21 78A 6 -9,-3.9 -9,-3.0 -2,-0.3 2,-0.7 -0.913 41.6-100.9-151.2 174.9 25.4 1.4 70.4 31 31 A A E -BC 20 77A 10 46,-3.0 46,-3.0 -2,-0.3 2,-0.5 -0.915 35.7-162.0-106.3 112.1 24.5 3.7 67.5 32 32 A L E -BC 19 76A 3 -13,-2.8 -13,-2.7 -2,-0.7 2,-0.6 -0.824 2.2-164.3 -98.5 123.8 20.8 4.9 67.8 33 33 A K E -BC 18 75A 0 42,-3.0 42,-2.3 -2,-0.5 2,-0.5 -0.927 5.8-154.5-113.2 116.3 19.2 6.3 64.7 34 34 A K E - C 0 74A 43 -17,-2.2 2,-0.4 -2,-0.6 40,-0.2 -0.765 17.1-137.6 -87.6 126.6 15.9 8.3 65.1 35 35 A I E C 0 73A 6 38,-3.1 38,-0.5 -2,-0.5 -19,-0.3 -0.728 360.0 360.0 -89.6 130.7 13.8 8.2 61.9 36 36 A R 0 0 197 -2,-0.4 -19,-0.2 -21,-0.2 -2,-0.1 -0.186 360.0 360.0 46.1 360.0 12.2 11.4 60.8 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 41 A T 0 0 167 0, 0.0 34,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 100.9 4.3 12.1 60.4 39 42 A E - 0 0 174 32,-0.0 32,-0.0 3,-0.0 0, 0.0 0.512 360.0 -85.4-107.5 -13.8 1.6 9.7 59.3 40 43 A G S S- 0 0 17 31,-0.1 32,-0.1 2,-0.1 31,-0.1 0.416 78.6 -64.0 119.5 7.1 2.5 7.1 61.9 41 44 A V - 0 0 36 30,-0.1 5,-0.1 32,-0.0 31,-0.1 0.900 63.8-107.4 80.2 94.7 5.2 5.3 59.9 42 45 A P > - 0 0 71 0, 0.0 4,-1.5 0, 0.0 3,-0.4 -0.056 21.4-121.3 -49.5 147.6 3.8 3.6 56.7 43 46 A S H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.929 111.0 59.4 -56.8 -51.3 3.6 -0.2 56.7 44 47 A T H > S+ 0 0 83 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.851 103.6 54.4 -47.3 -38.7 5.9 -0.6 53.7 45 48 A A H > S+ 0 0 1 -3,-0.4 4,-2.0 2,-0.2 -1,-0.3 0.946 105.0 53.0 -62.3 -48.5 8.5 1.2 55.7 46 49 A I H X S+ 0 0 40 -4,-1.5 4,-1.7 -3,-0.3 -2,-0.2 0.929 112.4 43.0 -53.0 -52.3 8.2 -1.2 58.5 47 50 A R H X S+ 0 0 121 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.867 109.3 55.3 -64.9 -39.6 8.7 -4.3 56.3 48 51 A E H X S+ 0 0 53 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.886 111.3 48.3 -60.2 -35.5 11.6 -2.8 54.3 49 52 A I H X S+ 0 0 1 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.846 106.9 54.4 -71.5 -36.6 13.3 -2.3 57.6 50 53 A S H < S+ 0 0 43 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.733 106.5 52.4 -71.5 -22.4 12.6 -5.8 58.8 51 54 A L H >X S+ 0 0 92 -4,-1.5 3,-2.3 1,-0.2 4,-1.2 0.898 104.0 55.5 -77.8 -42.1 14.2 -7.3 55.7 52 55 A L H 3< S+ 0 0 10 -4,-1.5 11,-0.3 1,-0.3 -2,-0.2 0.743 96.5 67.4 -60.3 -23.4 17.4 -5.2 56.3 53 56 A K T 3< S+ 0 0 75 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.661 103.0 47.7 -71.4 -14.8 17.5 -6.8 59.7 54 57 A E T <4 S+ 0 0 135 -3,-2.3 2,-1.5 -4,-0.1 -2,-0.2 0.873 86.0 83.2 -94.1 -45.3 18.2 -10.1 57.9 55 58 A L < + 0 0 25 -4,-1.2 2,-0.4 63,-0.1 -1,-0.1 -0.450 61.3 172.5 -67.1 92.5 21.0 -9.3 55.4 56 59 A N + 0 0 72 -2,-1.5 5,-0.1 6,-0.1 6,-0.0 -0.851 3.6 162.5-105.2 139.0 24.0 -9.6 57.7 57 60 A H > - 0 0 42 -2,-0.4 3,-2.0 3,-0.4 54,-0.0 -0.987 49.3-114.8-152.7 149.0 27.5 -9.4 56.4 58 61 A P T 3 S+ 0 0 94 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.744 118.9 49.0 -56.7 -26.0 31.0 -8.8 57.9 59 62 A N T 3 S+ 0 0 11 48,-0.1 81,-1.9 80,-0.1 2,-0.4 0.059 98.8 80.6-103.2 23.6 31.2 -5.6 55.8 60 63 A I B < S-e 140 0B 11 -3,-2.0 -3,-0.4 79,-0.3 81,-0.2 -0.995 86.8-111.6-132.3 126.9 27.8 -4.2 56.8 61 64 A V - 0 0 8 79,-3.1 2,-0.3 -2,-0.4 81,-0.1 -0.363 44.5-118.2 -55.4 121.7 27.0 -2.3 60.0 62 65 A K - 0 0 105 -2,-0.1 16,-2.6 -4,-0.1 2,-1.0 -0.497 13.1-140.9 -73.2 128.6 24.7 -4.7 61.8 63 66 A L E -D 77 0A 8 -2,-0.3 14,-0.3 -11,-0.3 3,-0.1 -0.783 23.2-177.8 -86.2 104.0 21.2 -3.5 62.6 64 67 A L E - 0 0 58 12,-2.2 2,-0.3 -2,-1.0 -1,-0.2 0.977 58.6 -0.1 -69.7 -60.0 20.7 -5.0 66.1 65 68 A D E -D 76 0A 98 11,-1.3 11,-3.0 2,-0.0 2,-0.6 -0.985 53.4-147.5-138.9 148.1 17.1 -3.9 66.9 66 69 A V E -D 75 0A 35 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.957 19.3-164.7-113.7 116.0 14.2 -2.1 65.2 67 70 A I E +D 74 0A 27 7,-3.1 7,-2.8 -2,-0.6 2,-0.7 -0.895 15.3 177.3-110.8 115.0 12.0 -0.2 67.6 68 71 A H E +D 73 0A 84 -2,-0.6 2,-0.4 5,-0.2 3,-0.3 -0.816 25.9 157.1-109.9 84.4 8.6 1.1 66.5 69 72 A T E > -D 72 0A 47 3,-0.8 3,-0.9 -2,-0.7 -2,-0.0 -0.892 62.7 -2.4-115.3 147.0 7.3 2.7 69.8 70 73 A E T 3 S- 0 0 147 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.869 129.9 -59.6 42.2 46.2 4.6 5.4 70.2 71 74 A N T 3 S+ 0 0 107 -3,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.925 114.7 121.6 48.4 49.9 4.4 5.5 66.4 72 75 A K E < - D 0 69A 74 -3,-0.9 -3,-0.8 -32,-0.1 2,-0.5 -0.947 55.8-135.1-135.5 153.2 8.1 6.5 66.3 73 76 A L E +CD 35 68A 2 -38,-0.5 -38,-3.1 -2,-0.3 2,-0.4 -0.951 23.0 171.5-124.2 122.4 10.9 4.6 64.6 74 77 A Y E -CD 34 67A 31 -7,-2.8 -7,-3.1 -2,-0.5 2,-0.5 -0.975 14.8-158.9-126.0 137.3 14.4 3.9 66.0 75 78 A L E -CD 33 66A 1 -42,-2.3 -42,-3.0 -2,-0.4 2,-0.7 -0.956 8.4-153.4-114.4 131.9 17.1 1.7 64.5 76 79 A V E -CD 32 65A 4 -11,-3.0 -12,-2.2 -2,-0.5 -11,-1.3 -0.914 18.6-176.9-110.9 109.6 19.8 0.3 66.8 77 80 A F E -CD 31 63A 21 -46,-3.0 -46,-3.0 -2,-0.7 -14,-0.2 -0.785 35.3 -96.5-106.3 149.1 23.0 -0.4 65.0 78 81 A E E -C 30 0A 51 -16,-2.6 2,-0.4 -2,-0.3 -48,-0.1 -0.278 50.1-110.4 -57.2 144.7 26.3 -1.9 66.3 79 82 A F - 0 0 57 -50,-0.5 2,-0.3 -58,-0.1 -1,-0.1 -0.700 31.4-158.8 -88.1 129.4 28.7 0.9 67.3 80 83 A L - 0 0 13 -2,-0.4 53,-0.2 1,-0.1 3,-0.1 -0.765 21.6-122.6-104.7 152.5 31.8 1.5 65.2 81 84 A H S S- 0 0 70 51,-0.3 2,-0.3 -2,-0.3 52,-0.2 0.812 80.3 -14.9 -63.0 -38.7 35.0 3.2 66.2 82 85 A Q E -F 132 0B 20 50,-1.9 50,-3.3 203,-0.1 2,-0.3 -0.983 62.6-112.7-161.7 161.9 35.2 6.0 63.6 83 86 A D E > -F 131 0B 39 -2,-0.3 4,-1.7 48,-0.2 48,-0.2 -0.686 31.9-114.8 -99.7 158.0 33.8 7.1 60.2 84 87 A L H > S+ 0 0 0 46,-2.8 4,-2.5 43,-0.6 44,-0.2 0.849 112.0 60.6 -58.3 -36.6 35.9 7.2 57.0 85 88 A K H > S+ 0 0 63 42,-1.7 4,-2.6 45,-0.3 -1,-0.2 0.928 106.0 44.3 -57.5 -50.7 35.6 11.0 56.8 86 89 A K H > S+ 0 0 82 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.901 114.6 49.9 -62.4 -42.4 37.3 11.7 60.1 87 90 A F H X S+ 0 0 3 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.871 110.5 50.7 -65.1 -37.1 40.0 9.2 59.4 88 91 A M H >< S+ 0 0 19 -4,-2.5 3,-1.1 2,-0.2 -2,-0.2 0.954 111.9 45.9 -65.3 -49.7 40.6 10.7 56.0 89 92 A D H >< S+ 0 0 88 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.908 110.3 54.9 -58.5 -42.3 40.8 14.2 57.5 90 93 A A H 3< S+ 0 0 61 -4,-2.6 -1,-0.3 1,-0.3 3,-0.2 0.689 111.0 46.5 -64.9 -18.2 43.1 12.8 60.1 91 94 A S T > - 0 0 67 0, 0.0 4,-2.2 0, 0.0 3,-1.5 -0.295 27.7-125.0 -53.7 134.1 48.8 4.1 53.1 98 101 A L H 3> S+ 0 0 54 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.861 110.6 59.9 -51.8 -39.2 47.8 2.6 49.7 99 102 A P H 3> S+ 0 0 71 0, 0.0 4,-1.3 0, 0.0 178,-0.3 0.868 109.3 44.3 -59.5 -30.3 47.9 -0.9 51.2 100 103 A L H <> S+ 0 0 5 -3,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.879 111.1 53.0 -78.5 -38.2 45.2 0.3 53.6 101 104 A I H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.938 110.0 48.7 -59.8 -46.6 43.3 2.1 50.8 102 105 A K H X S+ 0 0 15 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.855 110.6 50.9 -62.4 -37.4 43.2 -1.1 48.8 103 106 A S H X S+ 0 0 3 -4,-1.3 4,-2.3 -5,-0.3 -1,-0.2 0.927 110.3 48.9 -66.6 -45.5 42.0 -3.1 51.8 104 107 A Y H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.904 112.7 47.9 -61.4 -42.3 39.2 -0.7 52.5 105 108 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.927 110.3 52.0 -64.1 -45.2 38.1 -0.8 48.8 106 109 A F H X S+ 0 0 61 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.928 112.8 44.4 -56.2 -50.1 38.3 -4.6 48.7 107 110 A Q H X S+ 0 0 14 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.926 112.4 51.2 -61.9 -48.7 36.0 -5.0 51.8 108 111 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.904 108.4 52.4 -56.6 -43.6 33.6 -2.4 50.6 109 112 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.854 107.8 52.4 -62.3 -33.5 33.3 -4.1 47.3 110 113 A Q H X S+ 0 0 62 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.913 108.6 50.1 -68.1 -42.1 32.5 -7.3 49.1 111 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.935 113.9 44.0 -60.6 -47.9 29.8 -5.6 51.1 112 115 A L H X S+ 0 0 0 -4,-2.6 4,-3.9 2,-0.2 5,-0.3 0.931 110.3 56.0 -62.2 -45.5 28.2 -4.2 47.9 113 116 A A H X S+ 0 0 18 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.915 110.9 45.7 -51.4 -45.0 28.7 -7.6 46.3 114 117 A F H < S+ 0 0 48 -4,-2.5 4,-0.5 2,-0.2 -2,-0.2 0.927 116.2 43.7 -64.5 -48.9 26.7 -9.1 49.1 115 118 A C H ><>S+ 0 0 1 -4,-2.7 5,-2.3 1,-0.2 3,-1.4 0.925 112.2 52.2 -64.3 -45.9 24.0 -6.4 49.0 116 119 A H H ><5S+ 0 0 30 -4,-3.9 3,-1.8 1,-0.3 -1,-0.2 0.842 102.0 59.6 -61.1 -34.2 23.6 -6.4 45.3 117 120 A S T 3<5S+ 0 0 73 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.686 107.0 49.2 -68.0 -16.1 23.2 -10.2 45.2 118 121 A H T < 5S- 0 0 78 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.186 118.3-113.5-105.8 13.7 20.1 -9.6 47.4 119 122 A R T < 5S+ 0 0 195 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.726 74.7 134.4 62.4 23.0 18.8 -6.8 45.1 120 123 A V < - 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