==== 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 20-MAY-08 2VU3 . 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. . 285 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 63.2 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 14.0 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 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.6 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 2 1 0 1 1 0 1 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 0 2 2 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 42 0, 0.0 3,-1.9 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 -28.5 13.2 3.5 75.1 2 2 A E T 3 + 0 0 147 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.666 360.0 75.7 -59.8 -15.0 13.5 4.0 78.8 3 3 A N T 3 S+ 0 0 59 20,-0.1 21,-2.9 21,-0.1 22,-0.5 0.437 87.4 76.8 -78.5 3.8 16.1 1.2 78.5 4 4 A F E < -A 23 0A 23 -3,-1.9 2,-0.6 19,-0.2 19,-0.2 -0.953 60.3-160.1-127.1 135.0 18.5 3.7 77.1 5 5 A Q E -A 22 0A 95 17,-2.7 17,-2.8 -2,-0.4 -3,-0.0 -0.921 25.0-129.3-107.9 119.1 20.7 6.4 78.7 6 6 A K E +A 21 0A 110 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.348 25.0 179.0 -66.5 137.5 21.9 9.1 76.3 7 7 A V E - 0 0 64 13,-3.3 2,-0.3 1,-0.4 14,-0.2 0.744 63.7 -33.7-101.9 -44.3 25.7 9.8 76.5 8 8 A E E -A 20 0A 109 12,-1.6 12,-2.9 0, 0.0 -1,-0.4 -0.959 60.7 -95.5-172.0 151.0 26.0 12.5 73.9 9 9 A K E -A 19 0A 120 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.679 30.9-170.6 -72.2 129.6 24.6 13.7 70.6 10 10 A I E - 0 0 87 8,-3.0 2,-0.3 1,-0.4 9,-0.2 0.780 55.7 -60.7 -90.9 -44.4 26.8 12.3 67.8 11 11 A G E -A 18 0A 29 7,-1.7 7,-3.2 2,-0.0 -1,-0.4 -0.971 44.5-108.9 178.0 178.2 25.2 14.3 65.0 12 12 A E E -A 17 0A 56 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.977 21.6-173.0-131.9 148.1 22.1 15.1 63.0 13 13 A G - 0 0 27 3,-2.9 3,-0.3 -2,-0.3 132,-0.2 -0.419 48.8 -75.0-114.2-158.4 21.0 14.3 59.4 14 14 A T S S+ 0 0 80 1,-0.2 131,-1.7 -2,-0.2 134,-0.1 0.888 125.5 12.8 -70.4 -40.0 18.1 15.3 57.2 15 15 A Y S S+ 0 0 109 129,-0.2 2,-0.3 1,-0.1 -1,-0.2 -0.138 124.5 33.3-133.7 36.4 15.5 13.1 58.9 16 16 A G - 0 0 3 -3,-0.3 -3,-2.9 19,-0.2 2,-0.4 -0.896 60.6-128.7 179.7 154.4 17.0 11.9 62.2 17 17 A V E -AB 12 34A 8 17,-2.0 17,-2.8 -2,-0.3 2,-0.5 -0.941 23.7-145.8-110.3 139.2 19.3 12.7 65.2 18 18 A V E -AB 11 33A 41 -7,-3.2 -8,-3.0 -2,-0.4 -7,-1.7 -0.895 18.5-177.5-109.7 131.6 22.1 10.2 66.2 19 19 A Y E -AB 9 32A 32 13,-2.8 13,-2.9 -2,-0.5 2,-0.5 -0.948 30.3-128.4-121.9 150.4 23.2 9.7 69.8 20 20 A K E +AB 8 31A 45 -12,-2.9 -13,-3.3 -2,-0.4 -12,-1.6 -0.785 48.1 169.3 -80.7 132.7 25.8 7.7 71.6 21 21 A A E -AB 6 30A 0 9,-2.6 9,-2.8 -2,-0.5 2,-0.4 -0.963 33.1-125.9-143.3 163.5 23.7 5.9 74.3 22 22 A R E -AB 5 29A 102 -17,-2.8 -17,-2.7 -2,-0.3 2,-0.7 -0.928 19.0-132.1-115.5 131.0 24.0 3.1 76.9 23 23 A N E > -A 4 0A 8 5,-3.6 4,-1.9 -2,-0.4 -19,-0.2 -0.736 16.5-155.5 -77.6 111.9 21.7 0.2 77.1 24 24 A K T 4 S+ 0 0 135 -21,-2.9 -1,-0.2 -2,-0.7 -20,-0.1 0.760 89.4 40.1 -63.9 -23.2 20.8 0.1 80.8 25 25 A L T 4 S+ 0 0 118 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.809 123.1 33.1 -99.6 -32.3 20.0 -3.6 80.6 26 26 A T T 4 S- 0 0 79 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.668 94.9-130.1 -92.5 -17.6 22.7 -5.1 78.4 27 27 A G < + 0 0 51 -4,-1.9 -3,-0.1 1,-0.3 2,-0.1 0.331 60.6 144.0 79.5 -1.5 25.4 -2.8 79.4 28 28 A E - 0 0 54 -6,-0.1 -5,-3.6 -5,-0.1 2,-0.4 -0.344 48.5-138.9 -72.6 144.9 26.0 -2.2 75.7 29 29 A V E +B 22 0A 57 -7,-0.2 45,-0.7 -3,-0.1 2,-0.3 -0.871 35.7 170.2-100.3 137.1 27.0 1.2 74.2 30 30 A V E -BC 21 73A 0 -9,-2.8 -9,-2.6 -2,-0.4 2,-0.5 -0.852 39.9-114.4-139.7 161.8 25.2 1.8 71.0 31 31 A A E -BC 20 72A 14 41,-2.1 41,-3.4 -2,-0.3 2,-0.5 -0.972 34.9-160.1-101.6 130.9 24.4 4.5 68.4 32 32 A L E -BC 19 71A 4 -13,-2.9 -13,-2.8 -2,-0.5 2,-0.5 -0.941 3.8-157.4-116.9 124.2 20.7 5.4 68.5 33 33 A K E -BC 18 70A 41 37,-3.1 37,-2.1 -2,-0.5 2,-0.5 -0.900 6.3-159.9-105.3 127.6 19.0 7.0 65.6 34 34 A K E -BC 17 69A 9 -17,-2.8 -17,-2.0 -2,-0.5 2,-0.5 -0.913 7.3-173.9-110.2 123.5 15.8 8.9 66.3 35 35 A I E - C 0 68A 9 33,-2.5 33,-1.8 -2,-0.5 2,-0.4 -0.976 17.4-140.6-114.9 125.7 13.4 9.7 63.4 36 36 A R E C 0 67A 148 -2,-0.5 107,-2.6 107,-0.4 31,-0.2 -0.739 360.0 360.0 -84.0 135.0 10.3 11.9 64.0 37 37 A L 0 0 79 29,-1.8 105,-0.2 -2,-0.4 -1,-0.1 0.746 360.0 360.0-110.1 360.0 7.2 10.8 62.2 38 ! 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 39 47 A T > 0 0 131 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -48.7 6.4 0.2 54.2 40 48 A A H > + 0 0 28 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.913 360.0 50.6 -62.5 -39.8 9.2 1.9 56.1 41 49 A I H > S+ 0 0 88 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.825 111.7 45.8 -70.7 -34.5 8.7 -0.6 59.0 42 50 A R H > S+ 0 0 174 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.881 111.5 51.3 -77.9 -33.4 8.9 -3.6 56.8 43 51 A E H X S+ 0 0 117 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.827 110.3 50.6 -73.1 -26.1 11.9 -2.3 54.8 44 52 A I H X S+ 0 0 27 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.856 106.4 54.9 -73.4 -35.0 13.7 -1.7 58.2 45 53 A S H < S+ 0 0 43 -4,-1.4 4,-0.3 1,-0.2 -2,-0.2 0.825 106.7 50.4 -70.5 -28.9 12.8 -5.2 59.3 46 54 A L H >X S+ 0 0 98 -4,-1.6 3,-1.6 1,-0.2 4,-0.6 0.882 104.8 58.2 -69.5 -35.2 14.6 -6.5 56.1 47 55 A L H >< S+ 0 0 31 -4,-1.3 3,-1.0 1,-0.3 11,-0.3 0.861 97.8 61.6 -61.5 -35.7 17.5 -4.3 57.1 48 56 A K T 3< S+ 0 0 66 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.671 105.4 46.6 -62.8 -23.3 17.6 -6.3 60.4 49 57 A E T <4 S+ 0 0 150 -3,-1.6 2,-1.9 -4,-0.3 -1,-0.3 0.524 85.7 95.5 -95.9 -6.0 18.3 -9.4 58.4 50 58 A L << + 0 0 11 -3,-1.0 2,-0.4 -4,-0.6 8,-0.1 -0.498 58.6 165.1 -86.8 81.3 21.0 -7.7 56.2 51 59 A N + 0 0 79 -2,-1.9 5,-0.1 6,-0.1 6,-0.1 -0.801 4.5 140.1-110.8 128.9 23.9 -8.9 58.4 52 60 A H > - 0 0 45 3,-0.4 3,-1.9 -2,-0.4 54,-0.0 -0.953 59.1-110.8-161.3 149.2 27.6 -8.8 57.3 53 61 A P T 3 S+ 0 0 88 0, 0.0 4,-0.1 0, 0.0 80,-0.0 0.733 119.0 49.4 -60.1 -20.2 31.0 -8.0 58.9 54 62 A N T 3 S+ 0 0 9 80,-0.1 81,-3.1 48,-0.1 2,-0.4 0.094 98.0 79.1-112.8 28.6 31.2 -4.8 56.7 55 63 A I B < S-e 135 0B 4 -3,-1.9 -3,-0.4 79,-0.3 81,-0.2 -0.999 91.3-108.9-132.3 128.8 27.7 -3.5 57.5 56 64 A V - 0 0 9 79,-2.8 2,-0.3 -2,-0.4 -2,-0.1 -0.368 44.1-110.6 -57.3 125.7 27.0 -1.7 60.7 57 65 A K - 0 0 99 -2,-0.1 16,-2.4 -4,-0.1 2,-0.9 -0.442 19.0-146.9 -71.3 116.0 24.9 -4.1 62.8 58 66 A L E -D 72 0A 5 -2,-0.3 14,-0.3 -11,-0.3 3,-0.1 -0.817 20.6-178.6 -73.6 106.0 21.3 -3.0 63.3 59 67 A L E - 0 0 38 12,-2.6 2,-0.3 -2,-0.9 13,-0.2 0.909 57.4 -9.4 -81.7 -37.9 20.7 -4.4 66.8 60 68 A D E -D 71 0A 74 11,-1.5 11,-3.0 2,-0.0 2,-0.4 -0.992 48.8-143.3-160.9 151.8 17.1 -3.4 67.3 61 69 A V E -D 70 0A 45 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.989 18.6-165.5-120.0 124.0 14.2 -1.3 65.9 62 70 A I E -D 69 0A 38 7,-2.8 7,-1.8 -2,-0.4 2,-0.7 -0.888 2.7-171.0-116.8 99.3 11.9 0.4 68.4 63 71 A H E +D 68 0A 112 -2,-0.6 2,-0.4 5,-0.2 5,-0.2 -0.824 9.8 175.4 -88.6 113.4 8.6 1.7 67.1 64 72 A T E > -D 67 0A 70 3,-2.4 2,-4.8 -2,-0.7 3,-4.3 -0.999 56.7 -74.0-129.2 148.1 6.8 3.8 69.7 65 73 A E T 3 S- 0 0 171 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 0.028 120.5 -5.8 -46.9 6.8 3.7 5.4 68.8 66 74 A N T 3 S+ 0 0 112 -2,-4.8 -29,-1.8 1,-0.3 2,-0.4 0.224 119.2 76.0-169.2 7.8 5.2 8.2 66.6 67 75 A K E < -CD 36 64A 66 -3,-4.3 -3,-2.4 -31,-0.2 2,-0.5 -0.947 58.4-156.3-117.1 146.7 9.0 7.9 66.9 68 76 A L E -CD 35 63A 11 -33,-1.8 -33,-2.5 -2,-0.4 2,-0.5 -0.999 10.8-168.0-119.0 122.3 11.2 5.2 65.3 69 77 A Y E -CD 34 62A 21 -7,-1.8 -7,-2.8 -2,-0.5 2,-0.5 -0.971 5.7-161.4-108.5 126.2 14.5 4.5 67.0 70 78 A L E -CD 33 61A 7 -37,-2.1 -37,-3.1 -2,-0.5 2,-0.6 -0.907 8.7-154.6-101.7 131.3 17.2 2.4 65.2 71 79 A V E -CD 32 60A 0 -11,-3.0 -12,-2.6 -2,-0.5 -11,-1.5 -0.938 19.1-179.3-110.3 114.3 19.8 0.9 67.6 72 80 A F E -CD 31 58A 29 -41,-3.4 -41,-2.1 -2,-0.6 -14,-0.2 -0.812 37.2 -94.7-106.5 157.1 23.2 0.2 66.0 73 81 A E E -C 30 0A 48 -16,-2.4 2,-0.4 -2,-0.3 -43,-0.2 -0.402 52.2-117.6 -58.7 143.8 26.5 -1.2 67.1 74 82 A F - 0 0 38 -45,-0.7 2,-0.4 -53,-0.1 -1,-0.1 -0.714 30.3-172.5 -93.4 136.1 28.7 1.8 68.0 75 83 A L - 0 0 15 -2,-0.4 53,-0.1 1,-0.1 52,-0.0 -0.999 20.1-140.0-125.9 146.2 31.9 2.6 66.2 76 84 A H S S+ 0 0 106 -2,-0.4 2,-0.3 51,-0.1 52,-0.1 0.736 75.1 29.7 -74.0 -29.8 34.3 5.2 67.3 77 85 A Q E -F 127 0B 40 50,-1.2 50,-2.3 210,-0.0 2,-0.3 -0.920 58.3-147.5-137.9 152.4 35.4 6.8 64.1 78 86 A D E > -F 126 0B 16 -2,-0.3 4,-1.8 48,-0.3 48,-0.2 -0.797 30.2-116.7-115.9 161.4 34.2 7.5 60.5 79 87 A L H > S+ 0 0 0 46,-2.3 4,-2.6 43,-1.0 5,-0.2 0.792 109.7 63.1 -67.3 -33.3 36.3 7.7 57.4 80 88 A K H > S+ 0 0 62 42,-0.8 4,-2.2 45,-0.3 -1,-0.2 0.983 108.8 40.6 -56.9 -48.6 35.6 11.3 56.7 81 89 A K H > S+ 0 0 105 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.884 113.7 52.9 -69.6 -37.3 37.4 12.3 60.0 82 90 A F H X S+ 0 0 11 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.862 109.3 50.7 -65.1 -36.2 40.2 9.7 59.5 83 91 A M H < S+ 0 0 21 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.895 111.8 46.8 -65.4 -46.9 40.8 11.2 56.0 84 92 A D H >< S+ 0 0 96 -4,-2.2 3,-1.4 -5,-0.2 4,-0.3 0.935 113.1 49.8 -57.2 -48.1 40.9 14.7 57.5 85 93 A A H 3< S+ 0 0 81 -4,-3.2 3,-0.2 1,-0.2 -2,-0.2 0.750 115.5 43.8 -61.0 -24.8 43.3 13.3 60.2 86 94 A S T 3X S+ 0 0 16 -4,-1.2 4,-3.7 -5,-0.2 -1,-0.2 0.213 81.7 106.3-105.4 11.8 45.5 11.7 57.6 87 95 A A T <4 S+ 0 0 40 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.840 74.7 53.5 -68.7 -32.6 45.6 14.6 55.1 88 96 A L T 4 S+ 0 0 171 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.862 130.2 14.8 -75.5 -31.5 49.1 15.7 55.8 89 97 A T T 4 S- 0 0 112 -3,-0.2 -2,-0.2 3,-0.0 -1,-0.2 0.711 104.7-131.3-110.9 -28.8 50.7 12.3 55.2 90 98 A G < - 0 0 10 -4,-3.7 -3,-0.1 -7,-0.2 96,-0.1 0.213 33.3 -65.5 87.1 147.8 47.8 10.5 53.4 91 99 A I - 0 0 12 94,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.537 61.0-107.6 -63.1 123.2 46.4 7.0 54.1 92 100 A P >> - 0 0 82 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.175 28.6-120.2 -53.7 140.1 49.0 4.4 53.4 93 101 A L H 3> S+ 0 0 63 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.821 110.2 58.4 -53.7 -42.2 48.1 2.5 50.2 94 102 A P H 3> S+ 0 0 64 0, 0.0 4,-1.8 0, 0.0 185,-0.4 0.888 109.6 46.2 -62.7 -30.2 47.8 -0.9 51.8 95 103 A L H <> S+ 0 0 7 -3,-0.8 4,-2.8 2,-0.2 5,-0.3 0.899 111.1 52.1 -72.4 -44.7 45.2 0.5 54.1 96 104 A I H X S+ 0 0 6 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.948 112.7 45.8 -48.6 -53.3 43.4 2.2 51.2 97 105 A K H X S+ 0 0 12 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.891 111.9 50.8 -65.5 -36.9 43.3 -1.1 49.4 98 106 A S H X S+ 0 0 4 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.937 112.8 45.5 -67.1 -44.1 42.1 -3.0 52.5 99 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.924 113.4 50.5 -65.9 -39.1 39.2 -0.5 53.1 100 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.3 -2,-0.2 0.931 111.0 48.5 -63.1 -45.1 38.3 -0.6 49.4 101 109 A F H X S+ 0 0 50 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.915 111.5 49.7 -60.6 -43.6 38.2 -4.5 49.3 102 110 A Q H X S+ 0 0 11 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.903 110.5 48.9 -67.2 -41.1 36.1 -4.7 52.5 103 111 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.898 109.4 53.6 -68.2 -38.7 33.5 -2.1 51.1 104 112 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 -2,-0.2 0.911 109.0 49.2 -57.4 -38.5 33.4 -4.1 47.9 105 113 A Q H X S+ 0 0 70 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.957 111.4 48.5 -63.9 -46.9 32.7 -7.2 50.0 106 114 A G H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.914 115.0 44.7 -59.5 -45.1 29.9 -5.4 51.9 107 115 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.895 107.7 57.4 -66.1 -43.8 28.4 -4.1 48.6 108 116 A A H X S+ 0 0 22 -4,-3.0 4,-2.1 -5,-0.2 -2,-0.2 0.949 111.6 46.1 -49.3 -46.1 28.7 -7.6 46.9 109 117 A F H X S+ 0 0 48 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.971 114.3 44.5 -60.7 -57.4 26.6 -8.8 49.8 110 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 3,-0.5 0.880 114.6 49.7 -46.4 -60.3 24.0 -6.0 49.7 111 119 A H H ><5S+ 0 0 28 -4,-3.0 3,-2.3 1,-0.2 -1,-0.2 0.887 103.2 57.1 -53.0 -44.3 23.6 -6.1 46.0 112 120 A S H 3<5S+ 0 0 70 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.793 108.7 50.2 -63.6 -22.1 23.2 -9.9 45.8 113 121 A H T <<5S- 0 0 93 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.209 121.6-109.4 -96.4 11.4 20.2 -9.4 48.1 114 122 A R T < 5S+ 0 0 210 -3,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.709 74.7 137.2 68.0 24.1 18.8 -6.6 45.9 115 123 A V < - 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0 0 40 -3,-1.6 3,-0.1 -61,-0.4 -5,-0.0 -0.525 43.2-165.1 -69.7 139.5 19.7 15.5 29.8 226 237 A K > - 0 0 98 -2,-0.2 3,-2.6 1,-0.1 -5,-0.1 -0.991 26.1-144.4-130.7 128.9 20.0 18.6 27.6 227 238 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.830 102.1 68.4 -57.8 -26.8 21.6 18.9 24.1 228 239 A S T 3 + 0 0 104 -3,-0.1 3,-0.1 2,-0.0 -3,-0.0 0.440 69.6 123.7 -75.5 -1.3 22.7 22.3 25.3 229 240 A F S < S- 0 0 15 -3,-2.6 -19,-0.0 1,-0.1 -4,-0.0 -0.427 74.3-104.2 -51.8 136.6 25.2 20.7 27.8 230 241 A P - 0 0 53 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.293 30.4-124.7 -60.7 146.6 28.7 22.0 27.1 231 242 A K + 0 0 191 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.798 33.7 180.0-102.8 97.0 30.9 19.5 25.4 232 243 A W - 0 0 74 -2,-0.9 -22,-2.3 -21,-0.0 2,-0.2 -0.750 26.6-121.3 -93.8 147.6 34.1 19.0 27.4 233 244 A A - 0 0 89 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.2 -0.562 33.8-104.9 -82.9 144.1 36.9 16.6 26.4 234 245 A R - 0 0 119 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.500 34.1-135.3 -70.6 143.3 37.8 13.8 28.8 235 246 A Q - 0 0 56 -28,-2.8 2,-0.3 -2,-0.2 -1,-0.1 -0.543 28.4 -88.9 -97.8 157.8 41.0 14.2 30.6 236 247 A D >> - 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