==== 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 2VTO . 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. . 283 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 63.6 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 . 39 13.8 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 . 19 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 27.2 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 1 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 1 2 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 46 0, 0.0 3,-4.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 139.1 14.0 5.8 75.9 2 2 A E T 3 + 0 0 126 1,-0.3 22,-0.1 22,-0.0 0, 0.0 0.635 360.0 52.9 -46.3 -36.2 13.8 4.4 79.4 3 3 A N T 3 S+ 0 0 59 20,-0.1 21,-2.2 21,-0.1 22,-0.5 0.491 105.7 71.3 -80.1 1.9 16.3 1.6 78.9 4 4 A F E < -A 23 0A 19 -3,-4.0 2,-0.5 19,-0.3 19,-0.2 -0.901 58.8-158.6-125.8 138.5 18.9 4.1 77.6 5 5 A Q E -A 22 0A 89 17,-2.1 17,-1.7 -2,-0.4 2,-0.5 -0.977 25.4-134.2-107.0 113.2 21.1 6.9 79.0 6 6 A K E +A 21 0A 101 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.550 24.6 179.4 -60.6 116.1 22.3 9.3 76.3 7 7 A V E - 0 0 72 13,-2.5 2,-0.3 -2,-0.5 14,-0.2 0.857 61.7 -30.1 -84.0 -41.7 26.0 9.8 77.0 8 8 A E E -A 20 0A 105 12,-1.7 12,-3.4 0, 0.0 2,-0.4 -0.966 60.0 -93.0-168.6 159.0 26.5 12.2 74.1 9 9 A K E +A 19 0A 124 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.606 33.7 176.7 -71.9 123.9 25.5 13.4 70.6 10 10 A I E - 0 0 63 8,-2.9 2,-0.3 -2,-0.4 9,-0.2 0.454 58.6 -36.6-111.5 -1.1 27.7 11.7 68.1 11 11 A G E -A 18 0A 29 7,-1.2 7,-2.3 2,-0.0 2,-0.4 -0.965 46.8-106.8 168.5 173.8 26.1 13.2 64.9 12 12 A E E -A 17 0A 120 -2,-0.3 5,-0.2 5,-0.2 21,-0.0 -0.918 36.3-166.9-125.5 103.0 23.1 14.4 63.0 13 13 A G E > -A 16 0A 27 3,-1.6 3,-0.7 -2,-0.4 5,-0.1 -0.019 41.4 -96.1 -68.3-175.9 22.2 12.0 60.2 14 14 A T T 3 S+ 0 0 52 1,-0.2 3,-0.1 134,-0.1 -1,-0.1 0.867 125.1 48.9 -66.3 -27.5 19.7 12.8 57.4 15 15 A Y T 3 S- 0 0 27 1,-0.3 21,-2.1 20,-0.0 -1,-0.2 -0.008 123.5 -65.6-114.1 20.8 17.1 11.1 59.5 16 16 A G E < S-A 13 0A 6 -3,-0.7 -3,-1.6 19,-0.3 -1,-0.3 -0.611 76.9 -28.1 121.9-179.5 17.5 12.6 63.0 17 17 A V E -A 12 0A 21 19,-0.3 17,-2.2 17,-0.3 2,-0.5 -0.297 45.8-146.0 -69.7 154.1 20.0 12.8 65.8 18 18 A V E -AB 11 33A 28 -7,-2.3 -8,-2.9 15,-0.2 -7,-1.2 -0.990 20.4-170.1-118.1 122.1 22.6 10.0 66.6 19 19 A Y E -AB 9 32A 38 13,-3.3 13,-3.8 -2,-0.5 2,-0.5 -0.851 25.7-133.6-112.3 142.6 23.4 9.5 70.2 20 20 A K E +AB 8 31A 46 -12,-3.4 -13,-2.5 -2,-0.3 -12,-1.7 -0.884 45.4 172.5 -78.4 132.2 26.1 7.5 72.0 21 21 A A E -AB 6 30A 0 9,-2.4 9,-2.6 -2,-0.5 2,-0.4 -0.897 32.2-137.1-146.2 159.9 24.1 5.7 74.7 22 22 A R E -AB 5 29A 105 -17,-1.7 -17,-2.1 -2,-0.3 2,-0.8 -0.981 27.2-121.1-122.5 132.0 24.4 3.0 77.4 23 23 A N E > -A 4 0A 21 5,-2.4 4,-2.1 -2,-0.4 -19,-0.3 -0.667 17.5-142.4 -76.0 109.7 21.8 0.4 78.0 24 24 A K T 4 S+ 0 0 125 -21,-2.2 -1,-0.2 -2,-0.8 -20,-0.1 0.706 96.0 24.7 -46.1 -27.8 20.6 0.8 81.6 25 25 A L T 4 S+ 0 0 121 -22,-0.5 -1,-0.2 3,-0.1 -21,-0.1 0.868 123.3 42.7-101.5 -62.0 20.4 -3.0 82.0 26 26 A T T 4 S- 0 0 93 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.649 91.3-135.0 -58.8 -19.8 22.7 -4.8 79.5 27 27 A G < + 0 0 31 -4,-2.1 -1,-0.1 1,-0.2 -3,-0.1 -0.065 54.9 145.3 81.9 -29.4 25.5 -2.4 80.1 28 28 A E - 0 0 116 -6,-0.2 -5,-2.4 1,-0.1 2,-0.4 0.053 47.3-137.9 -50.9 132.9 26.2 -2.3 76.4 29 29 A V E +B 22 0A 36 -7,-0.2 47,-0.5 -3,-0.1 2,-0.3 -0.785 37.7 168.5 -88.5 139.6 27.4 1.0 74.8 30 30 A V E -BC 21 75A 5 -9,-2.6 -9,-2.4 -2,-0.4 2,-0.5 -0.918 42.0-107.3-148.0 158.5 25.4 1.5 71.5 31 31 A A E -BC 20 74A 11 43,-2.9 43,-3.4 -2,-0.3 2,-0.5 -0.948 36.4-163.1 -96.1 121.5 24.7 4.1 68.8 32 32 A L E -BC 19 73A 3 -13,-3.8 -13,-3.3 -2,-0.5 2,-0.5 -0.937 4.9-169.4-110.4 114.9 21.0 5.3 69.2 33 33 A K E -BC 18 72A 1 39,-2.9 39,-2.1 -2,-0.5 2,-0.6 -0.899 9.9-153.3-106.5 129.2 19.4 7.1 66.3 34 34 A K E - C 0 71A 43 -17,-2.2 2,-0.5 -2,-0.5 -17,-0.3 -0.916 21.6-131.9 -98.4 119.2 16.0 8.9 66.8 35 35 A I E C 0 70A 5 35,-4.3 35,-0.7 -2,-0.6 -19,-0.3 -0.595 360.0 360.0 -78.4 121.8 14.2 9.0 63.5 36 36 A R 0 0 166 -21,-2.1 -19,-0.3 -2,-0.5 -2,-0.1 -0.758 360.0 360.0 83.7 360.0 12.8 12.5 62.7 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 44 A V 0 0 71 0, 0.0 5,-0.1 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 96.0 5.2 5.9 61.5 39 45 A P >> - 0 0 86 0, 0.0 3,-1.7 0, 0.0 4,-1.4 -0.311 360.0-122.7 -63.4 137.7 3.9 4.3 58.2 40 46 A S H 3> S+ 0 0 67 1,-0.3 4,-1.3 2,-0.2 5,-0.1 0.566 106.2 70.1 -56.9 -10.1 3.9 0.5 58.2 41 47 A T H 3> S+ 0 0 92 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.846 101.9 42.1 -74.2 -41.8 6.1 0.6 55.1 42 48 A A H <> S+ 0 0 1 -3,-1.7 4,-2.5 2,-0.2 5,-0.3 0.816 111.1 57.3 -69.3 -39.8 9.1 1.9 57.0 43 49 A I H X S+ 0 0 42 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.904 110.9 44.9 -56.2 -38.8 8.3 -0.5 59.8 44 50 A R H X S+ 0 0 151 -4,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.894 114.0 44.9 -75.6 -43.9 8.6 -3.3 57.3 45 51 A E H >X S+ 0 0 43 -4,-1.9 4,-1.0 1,-0.2 3,-0.6 0.916 112.3 52.6 -67.8 -47.7 11.7 -2.3 55.5 46 52 A I H >X S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 4,-0.7 0.900 104.5 56.9 -52.8 -43.9 13.5 -1.5 58.7 47 53 A S H 3< S+ 0 0 56 -4,-1.6 3,-0.5 1,-0.3 4,-0.4 0.792 101.0 57.4 -61.4 -32.5 12.6 -5.0 60.0 48 54 A L H XX S+ 0 0 95 -4,-1.1 3,-1.1 -3,-0.6 4,-0.7 0.800 98.3 61.5 -61.9 -34.9 14.3 -6.5 56.9 49 55 A L H << S+ 0 0 13 -3,-1.0 3,-0.4 -4,-1.0 11,-0.3 0.759 88.2 69.1 -68.5 -29.1 17.5 -4.8 57.9 50 56 A K T 3< S+ 0 0 77 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.783 102.9 49.0 -52.8 -29.2 17.7 -6.6 61.2 51 57 A E T <4 S+ 0 0 142 -3,-1.1 2,-1.8 -4,-0.4 -1,-0.2 0.688 87.4 85.0 -87.8 -29.8 18.4 -9.7 59.1 52 58 A L < + 0 0 16 -4,-0.7 2,-0.4 -3,-0.4 -1,-0.1 -0.551 60.7 168.4 -85.8 84.7 21.1 -8.5 56.8 53 59 A N + 0 0 69 -2,-1.8 5,-0.1 6,-0.1 6,-0.0 -0.774 5.6 153.8 -97.7 136.6 24.1 -9.1 58.9 54 60 A H > - 0 0 45 -2,-0.4 3,-1.9 3,-0.4 54,-0.0 -0.969 52.1-115.8-158.7 143.8 27.7 -8.8 57.7 55 61 A P T 3 S+ 0 0 91 0, 0.0 80,-0.1 0, 0.0 4,-0.1 0.642 118.0 49.9 -54.8 -19.1 31.0 -8.0 59.4 56 62 A N T 3 S+ 0 0 13 80,-0.1 81,-3.1 78,-0.1 2,-0.4 0.253 96.9 79.7-112.1 25.9 31.2 -4.9 57.2 57 63 A I B < S-e 137 0B 9 -3,-1.9 -3,-0.4 79,-0.3 2,-0.2 -0.979 92.2-108.5-127.1 124.8 27.7 -3.6 57.9 58 64 A V - 0 0 10 79,-3.3 2,-0.2 -2,-0.4 82,-0.1 -0.421 45.4-112.4 -52.6 120.3 27.1 -1.7 61.1 59 65 A K - 0 0 109 -2,-0.2 16,-2.4 -4,-0.1 2,-0.9 -0.412 18.4-142.2 -63.4 124.3 25.0 -4.2 63.2 60 66 A L E -D 74 0A 11 -11,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.814 22.2-178.4 -84.4 100.5 21.4 -3.1 63.7 61 67 A L E - 0 0 39 12,-2.6 2,-0.3 -2,-0.9 13,-0.2 0.953 57.8 -6.2 -69.1 -48.8 20.8 -4.3 67.3 62 68 A D E -D 73 0A 71 11,-1.3 11,-2.6 2,-0.0 2,-0.5 -0.981 47.8-145.7-152.6 150.7 17.1 -3.3 67.8 63 69 A V E -D 72 0A 39 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.946 23.0-168.7-120.6 98.7 14.2 -1.3 66.2 64 70 A I E +D 71 0A 28 7,-2.0 7,-2.6 -2,-0.5 2,-0.6 -0.857 9.8 179.3 -90.4 114.3 12.1 0.3 68.9 65 71 A H E +D 70 0A 71 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.931 26.6 146.0-110.5 104.0 8.8 1.8 67.7 66 72 A T E > +D 69 0A 47 3,-1.5 3,-1.0 -2,-0.6 -2,-0.0 -0.950 58.1 9.1-142.2 158.0 7.2 3.3 70.8 67 73 A E T 3 S- 0 0 142 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.753 127.4 -69.4 39.7 30.1 5.0 6.2 71.7 68 74 A N T 3 S+ 0 0 128 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.985 111.2 114.4 47.8 60.8 4.8 6.4 67.9 69 75 A K E < - D 0 66A 84 -3,-1.0 -3,-1.5 -5,-0.1 2,-0.5 -0.913 61.3-122.2-142.1 163.2 8.4 7.5 67.5 70 76 A L E +CD 35 65A 6 -35,-0.7 -35,-4.3 -2,-0.3 2,-0.4 -0.909 27.2 172.3-119.5 120.9 11.3 5.6 65.8 71 77 A Y E -CD 34 64A 35 -7,-2.6 -7,-2.0 -2,-0.5 2,-0.5 -0.950 12.9-161.8-120.4 138.5 14.7 4.6 67.3 72 78 A L E -CD 33 63A 0 -39,-2.1 -39,-2.9 -2,-0.4 2,-0.6 -0.959 8.0-154.2-113.1 131.4 17.4 2.4 65.8 73 79 A V E +CD 32 62A 0 -11,-2.6 -12,-2.6 -2,-0.5 -11,-1.3 -0.930 20.6 177.9-104.6 120.2 20.0 0.8 68.1 74 80 A F E -CD 31 60A 26 -43,-3.4 -43,-2.9 -2,-0.6 -14,-0.2 -0.773 37.8 -91.4-114.7 155.8 23.3 0.1 66.3 75 81 A E E -C 30 0A 48 -16,-2.4 2,-0.4 -2,-0.3 -45,-0.2 -0.364 51.7-112.5 -54.5 144.8 26.6 -1.3 67.4 76 82 A F - 0 0 34 -47,-0.5 2,-0.3 -55,-0.1 -1,-0.1 -0.714 31.6-173.9 -92.8 126.6 29.0 1.5 68.4 77 83 A L - 0 0 16 -2,-0.4 53,-0.1 53,-0.1 3,-0.0 -0.918 23.2-135.1-115.7 154.2 32.1 2.3 66.5 78 84 A H S S+ 0 0 102 51,-0.5 2,-0.3 -2,-0.3 52,-0.1 0.579 75.5 14.9 -91.6 -12.5 34.5 4.9 67.7 79 85 A Q E -F 129 0B 34 50,-1.0 50,-3.0 206,-0.1 2,-0.3 -0.994 61.6-132.6-154.5 154.3 35.3 7.0 64.6 80 86 A D E > -F 128 0B 17 -2,-0.3 4,-2.1 48,-0.3 48,-0.2 -0.753 30.2-113.8-104.5 165.2 34.1 7.7 61.0 81 87 A L H > S+ 0 0 0 46,-2.5 4,-2.2 43,-0.9 44,-0.2 0.754 111.8 59.6 -69.3 -25.1 36.1 7.9 57.8 82 88 A K H > S+ 0 0 64 42,-0.8 4,-1.7 45,-0.3 -1,-0.2 0.963 109.4 42.7 -72.5 -44.6 35.6 11.6 57.3 83 89 A K H > S+ 0 0 113 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.910 113.7 51.7 -63.5 -47.9 37.2 12.5 60.6 84 90 A F H X S+ 0 0 8 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.862 109.6 51.0 -54.5 -42.4 40.0 9.9 60.1 85 91 A M H < S+ 0 0 23 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.842 110.2 47.7 -62.3 -41.4 40.7 11.5 56.6 86 92 A D H >< S+ 0 0 89 -4,-1.7 3,-1.7 1,-0.2 4,-0.2 0.930 111.7 52.1 -66.3 -50.2 40.9 15.0 58.1 87 93 A A H 3< S+ 0 0 81 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.627 111.3 46.9 -51.4 -26.4 43.2 13.7 60.8 88 94 A S T 3X S+ 0 0 8 -4,-0.6 4,-2.6 -3,-0.2 -1,-0.3 0.104 77.8 114.1-108.4 19.5 45.4 12.1 58.1 89 95 A A T <4 S+ 0 0 52 -3,-1.7 -1,-0.1 1,-0.2 -2,-0.1 0.870 72.5 52.5 -56.2 -43.7 45.6 15.2 55.9 90 96 A L T 4 S+ 0 0 159 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.928 127.9 15.9 -60.6 -51.3 49.3 15.8 56.4 91 97 A T T 4 S- 0 0 108 1,-0.1 -2,-0.2 3,-0.0 -1,-0.2 0.712 101.1-132.6 -98.9 -27.8 50.6 12.4 55.5 92 98 A G < - 0 0 10 -4,-2.6 -1,-0.1 -7,-0.1 -3,-0.1 -0.039 39.7 -62.5 82.7 159.9 47.6 10.9 53.7 93 99 A I - 0 0 12 90,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.672 63.3-107.1 -73.6 124.5 46.3 7.4 54.5 94 100 A P >> - 0 0 84 0, 0.0 4,-2.2 0, 0.0 3,-1.7 -0.324 27.4-120.2 -56.2 140.9 49.0 4.8 53.6 95 101 A L H 3> S+ 0 0 68 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.801 110.8 57.1 -53.0 -40.3 48.0 2.9 50.4 96 102 A P H 3> S+ 0 0 67 0, 0.0 4,-1.5 0, 0.0 181,-0.4 0.870 111.2 44.7 -66.3 -25.4 48.0 -0.5 52.0 97 103 A L H <> S+ 0 0 9 -3,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.879 111.6 52.0 -78.7 -39.6 45.3 0.8 54.5 98 104 A I H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.908 111.5 48.9 -55.1 -43.3 43.4 2.6 51.7 99 105 A K H X S+ 0 0 9 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.888 109.4 50.3 -71.3 -38.8 43.4 -0.7 49.8 100 106 A S H X S+ 0 0 2 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.856 112.2 48.0 -63.0 -44.6 42.2 -2.7 52.8 101 107 A Y H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.968 112.5 47.6 -63.1 -48.8 39.3 -0.2 53.4 102 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.895 112.7 51.1 -55.9 -42.7 38.3 -0.3 49.8 103 109 A F H X S+ 0 0 59 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.855 111.2 45.8 -65.6 -45.3 38.4 -4.1 49.8 104 110 A Q H X S+ 0 0 12 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.884 111.8 51.5 -68.5 -42.5 36.3 -4.5 53.0 105 111 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.908 107.1 53.5 -60.0 -43.4 33.7 -2.0 51.7 106 112 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.869 107.1 53.5 -59.4 -35.4 33.4 -3.9 48.4 107 113 A Q H X S+ 0 0 67 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.960 109.1 47.0 -60.5 -50.1 32.8 -7.0 50.5 108 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.880 113.9 48.1 -55.5 -46.3 29.9 -5.3 52.3 109 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.901 108.2 53.6 -63.8 -45.3 28.4 -4.0 49.0 110 116 A A H X S+ 0 0 23 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.881 111.2 48.1 -54.5 -44.7 28.7 -7.5 47.4 111 117 A F H X S+ 0 0 46 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.956 116.7 41.2 -53.0 -62.4 26.7 -8.9 50.4 112 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 3,-0.7 0.892 114.9 50.7 -51.2 -52.5 24.0 -6.1 50.2 113 119 A H H ><5S+ 0 0 28 -4,-3.3 3,-2.0 1,-0.2 -1,-0.2 0.880 103.1 59.9 -63.2 -30.9 23.8 -6.2 46.4 114 120 A S H 3<5S+ 0 0 73 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.744 107.9 45.5 -72.9 -23.1 23.4 -10.0 46.4 115 121 A H T <<5S- 0 0 91 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.081 122.2-111.5 -97.1 16.0 20.2 -9.5 48.5 116 122 A R T < 5S+ 0 0 201 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.708 73.6 137.9 63.3 19.6 19.2 -6.7 46.2 117 123 A V < - 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