==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-JUL-03 1PXK . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.Y.WU,I.MCNAE,G.KONTOPIDIS,S.J.MCCLUE,C.MCINNES, . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14735.0 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 . 41 14.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 21 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 24.1 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 0 1 0 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 . 2 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 0 2 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,-1.0 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -32.5 27.1 56.3 21.5 2 2 A E T 3 + 0 0 136 1,-0.2 3,-0.0 3,-0.0 0, 0.0 0.029 360.0 82.0 -86.5 27.2 26.7 60.0 22.3 3 3 A N T 3 S+ 0 0 60 21,-0.1 22,-0.8 20,-0.0 21,-0.4 0.246 82.7 71.4-110.4 5.8 24.2 60.0 19.5 4 4 A F < - 0 0 21 -3,-1.0 2,-0.6 19,-0.2 19,-0.2 -0.978 63.1-155.2-129.5 140.0 21.4 58.6 21.8 5 5 A Q E -A 22 0A 121 17,-2.7 17,-2.8 -2,-0.4 -3,-0.0 -0.951 27.0-125.4-115.3 113.3 19.5 60.2 24.6 6 6 A K E +A 21 0A 81 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.201 30.9 173.5 -55.8 146.3 18.1 57.8 27.1 7 7 A V E - 0 0 82 13,-2.0 2,-0.3 1,-0.5 14,-0.1 0.666 58.1 -31.6-118.8 -60.1 14.4 58.0 27.7 8 8 A E E -A 20 0A 106 12,-0.9 12,-2.2 3,-0.0 2,-0.7 -0.909 64.5 -88.7-153.9 178.3 13.4 55.1 30.0 9 9 A K E -A 19 0A 100 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.863 24.7-170.2-103.7 106.6 14.3 51.6 30.9 10 10 A I E - 0 0 67 -2,-0.7 2,-0.3 8,-0.6 9,-0.2 0.699 61.7 -79.1 -65.5 -19.1 12.5 49.0 28.7 11 11 A G E -A 18 0A 24 7,-1.7 7,-3.7 -3,-0.1 2,-0.5 -0.891 46.4 -72.8 146.9-176.8 13.9 46.3 31.1 12 12 A E E -A 17 0A 81 5,-0.3 5,-0.3 -2,-0.3 21,-0.0 -0.966 36.6-159.0-123.8 121.9 16.8 44.1 32.0 13 13 A G E > -A 16 0A 20 3,-2.4 3,-0.7 -2,-0.5 140,-0.5 -0.141 37.6 -98.1 -84.6-175.7 18.1 41.2 29.9 14 14 A T T 3 S+ 0 0 21 1,-0.2 138,-0.7 137,-0.1 141,-0.1 0.697 123.1 24.1 -76.8 -19.8 20.3 38.3 31.0 15 15 A Y T 3 S- 0 0 44 1,-0.4 -1,-0.2 136,-0.2 2,-0.1 -0.353 132.7 -2.5-142.3 55.0 23.3 40.0 29.6 16 16 A G E < S-A 13 0A 1 -3,-0.7 -3,-2.4 19,-0.1 -1,-0.4 -0.263 73.3 -96.1 132.1 141.3 22.6 43.7 29.6 17 17 A V E -A 12 0A 14 -5,-0.3 17,-1.5 -2,-0.1 2,-0.5 -0.561 34.7-131.7 -83.7 148.5 19.8 46.2 30.4 18 18 A V E -AB 11 33A 26 -7,-3.7 -7,-1.7 -2,-0.2 -8,-0.6 -0.871 23.2-174.4-105.8 132.5 17.5 47.5 27.7 19 19 A Y E -AB 9 32A 63 13,-2.7 13,-3.4 -2,-0.5 2,-0.5 -0.937 26.5-127.5-124.4 146.1 16.8 51.2 27.3 20 20 A K E -AB 8 31A 40 -12,-2.2 -13,-2.0 -2,-0.3 -12,-0.9 -0.786 40.9-164.6 -87.1 134.0 14.4 53.1 25.0 21 21 A A E -AB 6 30A 0 9,-3.1 9,-2.5 -2,-0.5 2,-0.4 -0.976 24.3-136.0-135.9 141.6 16.5 55.7 23.3 22 22 A R E -AB 5 29A 130 -17,-2.8 -17,-2.7 -2,-0.4 2,-1.2 -0.697 24.7-134.6 -85.9 135.4 16.1 58.9 21.3 23 23 A N > - 0 0 13 5,-1.5 4,-4.1 -2,-0.4 5,-0.4 -0.676 12.0-160.6 -96.0 82.8 18.4 59.1 18.3 24 24 A K T 4 S+ 0 0 117 -2,-1.2 -1,-0.2 -21,-0.4 -20,-0.1 0.753 88.4 46.2 -25.0 -49.7 19.7 62.6 18.5 25 25 A L T 4 S+ 0 0 141 -22,-0.8 -1,-0.1 1,-0.1 -2,-0.1 0.955 131.7 12.4 -62.1 -93.0 20.7 62.3 14.8 26 26 A T T 4 S- 0 0 84 1,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.796 93.7-134.0 -57.7 -31.1 17.7 60.8 13.0 27 27 A G < + 0 0 20 -4,-4.1 -3,-0.2 1,-0.3 2,-0.1 0.607 54.7 147.2 83.5 11.8 15.5 61.4 16.0 28 28 A E - 0 0 77 -5,-0.4 -5,-1.5 -6,-0.1 2,-0.5 -0.448 52.8-115.7 -80.2 152.7 14.2 57.9 15.7 29 29 A V E +B 22 0A 54 -7,-0.2 46,-0.7 -2,-0.1 2,-0.3 -0.797 44.3 170.5 -91.8 124.8 13.1 55.8 18.7 30 30 A V E -BC 21 74A 1 -9,-2.5 -9,-3.1 -2,-0.5 2,-0.6 -0.888 37.5-114.6-133.2 163.6 15.3 52.7 19.1 31 31 A A E -BC 20 73A 12 42,-3.8 42,-4.2 -2,-0.3 2,-0.5 -0.876 33.4-163.3 -98.8 126.4 15.9 49.9 21.7 32 32 A L E -BC 19 72A 0 -13,-3.4 -13,-2.7 -2,-0.6 2,-0.6 -0.949 7.0-171.9-116.3 123.4 19.4 50.2 23.0 33 33 A K E -BC 18 71A 2 38,-3.4 38,-3.6 -2,-0.5 2,-0.2 -0.942 8.8-154.7-122.0 119.0 21.1 47.3 24.9 34 34 A K E C 0 70A 41 -17,-1.5 36,-0.2 -2,-0.6 -19,-0.1 -0.620 360.0 360.0 -85.1 149.9 24.3 47.7 26.6 35 35 A I 0 0 51 34,-2.7 34,-1.6 -2,-0.2 -19,-0.1 -0.996 360.0 360.0-134.7 360.0 26.6 44.7 27.1 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 42 0, 0.0 30,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 163.9 34.6 42.4 24.8 38 45 A P - 0 0 79 0, 0.0 4,-0.4 0, 0.0 29,-0.0 0.323 360.0-120.6 -47.7-175.0 36.3 39.9 22.5 39 46 A S S > S+ 0 0 61 2,-0.1 4,-2.4 3,-0.1 5,-0.2 0.747 101.4 67.4-103.7 -35.8 36.3 40.0 18.7 40 47 A T H > S+ 0 0 84 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.919 101.3 50.3 -51.9 -48.8 34.7 36.7 17.8 41 48 A A H > S+ 0 0 4 1,-0.2 4,-3.3 2,-0.2 5,-0.5 0.966 108.3 52.5 -53.7 -58.5 31.4 37.9 19.3 42 49 A I H > S+ 0 0 41 -4,-0.4 4,-2.2 1,-0.3 5,-0.3 0.904 107.9 49.8 -43.9 -56.4 31.5 41.1 17.3 43 50 A R H X S+ 0 0 146 -4,-2.4 4,-1.2 2,-0.2 -1,-0.3 0.899 117.1 44.8 -52.3 -40.8 32.0 39.2 14.0 44 51 A E H >X S+ 0 0 58 -4,-2.0 4,-1.0 -3,-0.4 3,-0.9 0.985 115.2 41.9 -68.5 -61.1 29.1 37.0 15.0 45 52 A I H 3< S+ 0 0 4 -4,-3.3 4,-0.4 1,-0.3 -1,-0.2 0.711 113.0 57.9 -61.4 -17.6 26.6 39.7 16.2 46 53 A S H >< S+ 0 0 38 -4,-2.2 3,-1.0 -5,-0.5 4,-0.4 0.840 99.4 57.4 -79.7 -31.3 27.7 41.7 13.2 47 54 A L H X< S+ 0 0 103 -4,-1.2 3,-0.8 -3,-0.9 4,-0.3 0.748 96.4 64.7 -67.7 -23.8 26.6 38.9 11.0 48 55 A L G >< S+ 0 0 27 -4,-1.0 3,-1.1 1,-0.2 11,-0.3 0.747 85.6 73.1 -70.9 -24.0 23.1 39.1 12.5 49 56 A K G < S+ 0 0 81 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.812 94.7 51.7 -59.8 -32.1 22.7 42.6 11.0 50 57 A E G < S+ 0 0 167 -3,-0.8 2,-0.7 -4,-0.4 -1,-0.3 0.641 91.1 91.9 -79.9 -14.4 22.3 41.1 7.6 51 58 A L < + 0 0 26 -3,-1.1 2,-0.4 -4,-0.3 8,-0.3 -0.728 55.1 162.5 -86.1 116.0 19.6 38.8 8.9 52 59 A N + 0 0 61 -2,-0.7 5,-0.1 6,-0.1 -3,-0.0 -0.995 9.7 156.5-142.0 136.0 16.2 40.4 8.4 53 60 A H B > -E 56 0B 40 3,-0.5 3,-2.2 -2,-0.4 5,-0.1 -0.982 51.4-109.3-152.5 147.2 12.6 39.1 8.4 54 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 53,-0.0 0.712 121.6 41.2 -53.3 -21.2 9.2 40.8 9.1 55 62 A N T 3 S+ 0 0 6 48,-0.1 81,-2.8 80,-0.1 2,-0.6 0.353 95.9 88.2-111.0 6.8 9.0 38.8 12.3 56 63 A I B < S-Ef 53 136B 10 -3,-2.2 -3,-0.5 79,-0.3 2,-0.4 -0.929 85.5-118.8-108.1 115.9 12.6 39.2 13.5 57 64 A V - 0 0 10 79,-2.2 81,-0.2 -2,-0.6 82,-0.2 -0.396 40.6-114.0 -56.7 112.0 13.2 42.3 15.6 58 65 A K - 0 0 81 -2,-0.4 16,-2.0 1,-0.1 2,-1.3 -0.192 13.3-145.8 -58.7 128.8 15.8 44.3 13.5 59 66 A L E -D 73 0A 11 -8,-0.3 14,-0.2 -11,-0.3 3,-0.1 -0.761 21.5-175.0 -93.0 87.3 19.3 44.9 14.8 60 67 A L E - 0 0 34 -2,-1.3 2,-0.3 12,-0.6 -1,-0.2 0.962 58.3 -11.0 -49.2 -67.7 19.8 48.3 13.3 61 68 A D E -D 72 0A 84 11,-1.1 11,-2.0 -3,-0.2 2,-0.4 -0.986 55.2-135.6-143.3 150.6 23.4 48.9 14.2 62 69 A V E -D 71 0A 29 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.888 21.9-170.2-105.2 132.9 26.2 47.4 16.4 63 70 A I E -D 70 0A 35 7,-2.7 7,-3.4 -2,-0.4 2,-0.6 -0.972 6.7-177.5-129.2 118.3 28.3 49.9 18.4 64 71 A H E +D 69 0A 72 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.929 11.3 167.2-119.5 111.4 31.5 48.9 20.3 65 72 A T E > -D 68 0A 49 3,-1.9 3,-0.8 -2,-0.6 -2,-0.0 -0.960 64.5 -25.0-126.0 140.8 33.3 51.5 22.4 66 73 A E T 3 S- 0 0 169 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.764 124.0 -50.0 21.6 67.8 36.0 51.2 25.0 67 74 A N T 3 S+ 0 0 126 1,-0.1 -1,-0.3 -30,-0.1 2,-0.2 0.912 115.4 115.2 40.8 60.7 35.0 47.6 25.8 68 75 A K E < - D 0 65A 95 -3,-0.8 -3,-1.9 -31,-0.1 2,-0.3 -0.770 56.4-147.5-156.4 99.8 31.4 48.5 26.2 69 76 A L E - D 0 64A 0 -34,-1.6 -34,-2.7 -2,-0.2 2,-0.5 -0.591 10.8-166.1 -83.9 135.0 29.1 46.9 23.7 70 77 A Y E -CD 34 63A 8 -7,-3.4 -7,-2.7 -2,-0.3 2,-0.5 -0.960 4.8-163.7-124.5 118.3 25.9 48.6 22.4 71 78 A L E -CD 33 62A 0 -38,-3.6 -38,-3.4 -2,-0.5 2,-0.7 -0.864 8.0-158.9-100.3 125.7 23.1 46.8 20.5 72 79 A V E +CD 32 61A 0 -11,-2.0 -11,-1.1 -2,-0.5 -12,-0.6 -0.921 18.4 175.0-109.3 112.1 20.8 49.2 18.7 73 80 A F E -CD 31 59A 15 -42,-4.2 -42,-3.8 -2,-0.7 -14,-0.2 -0.740 37.3 -98.4-113.1 161.1 17.4 47.6 17.9 74 81 A E E -C 30 0A 46 -16,-2.0 2,-0.3 -2,-0.3 -44,-0.2 -0.356 49.2-115.4 -68.0 160.8 14.2 48.9 16.4 75 82 A F - 0 0 34 -46,-0.7 2,-0.4 -45,-0.1 -46,-0.1 -0.812 30.8-179.9-108.7 143.6 11.6 49.7 19.1 76 83 A L - 0 0 16 -2,-0.3 53,-0.1 53,-0.0 52,-0.0 -0.980 29.5-131.2-134.2 139.9 8.2 48.0 19.8 77 84 A H S S+ 0 0 109 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.612 78.9 25.9 -73.8 -11.8 6.1 49.3 22.6 78 85 A Q E -G 128 0B 24 50,-0.9 50,-2.5 213,-0.0 2,-0.3 -0.999 57.9-144.8-153.3 153.5 5.3 46.0 24.3 79 86 A D E > -G 127 0B 38 -2,-0.3 4,-2.4 48,-0.3 48,-0.3 -0.734 33.8-113.2-110.2 163.9 6.4 42.4 24.9 80 87 A L H > S+ 0 0 0 46,-2.5 4,-2.7 43,-1.1 5,-0.3 0.832 112.4 64.4 -66.4 -32.9 4.1 39.3 25.2 81 88 A K H > S+ 0 0 77 42,-0.4 4,-2.0 45,-0.3 -1,-0.2 0.941 111.4 37.2 -55.4 -46.4 5.0 38.8 28.8 82 89 A K H > S+ 0 0 113 2,-0.2 4,-2.6 -3,-0.2 5,-0.2 0.953 114.0 53.7 -70.2 -52.9 3.3 42.1 29.6 83 90 A F H < S+ 0 0 10 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.840 111.0 49.7 -51.2 -36.1 0.5 41.8 27.1 84 91 A M H >X S+ 0 0 19 -4,-2.7 3,-2.6 2,-0.2 4,-0.6 0.954 108.2 49.8 -69.3 -50.1 -0.3 38.5 28.8 85 92 A D H >< S+ 0 0 69 -4,-2.0 3,-0.7 1,-0.3 4,-0.3 0.859 111.0 53.3 -55.1 -33.6 -0.3 39.9 32.3 86 93 A A T 3< S+ 0 0 72 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.509 115.1 39.8 -79.5 -4.9 -2.6 42.5 30.8 87 94 A S T <> S+ 0 0 15 -3,-2.6 4,-1.1 -5,-0.2 -1,-0.2 0.206 78.7 110.1-126.1 11.5 -4.9 39.8 29.5 88 95 A A T << S+ 0 0 50 -3,-0.7 -2,-0.1 -4,-0.6 -3,-0.1 0.856 82.5 47.1 -56.4 -38.5 -4.8 37.3 32.4 89 96 A L T 4 S+ 0 0 169 -4,-0.3 -1,-0.2 1,-0.0 -2,-0.1 0.914 132.6 15.4 -71.8 -45.7 -8.4 38.1 33.3 90 97 A T T 4 S- 0 0 103 -4,-0.1 -2,-0.2 3,-0.0 -3,-0.1 0.905 100.3-139.7 -92.8 -59.7 -9.9 37.8 29.8 91 98 A G < - 0 0 11 -4,-1.1 -3,-0.1 -7,-0.1 99,-0.1 0.080 29.2 -67.1 106.4 141.1 -7.1 36.0 27.8 92 99 A I - 0 0 14 97,-0.4 5,-0.1 1,-0.1 -8,-0.0 -0.377 60.5-109.4 -60.8 130.5 -5.8 36.5 24.3 93 100 A P >> - 0 0 79 0, 0.0 4,-1.8 0, 0.0 3,-1.8 -0.354 24.9-116.7 -62.0 141.2 -8.4 35.6 21.8 94 101 A L H 3> S+ 0 0 68 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.889 114.1 58.7 -45.5 -50.9 -7.7 32.3 19.9 95 102 A P H 3> S+ 0 0 62 0, 0.0 4,-1.3 0, 0.0 188,-0.3 0.792 109.2 45.8 -51.7 -29.8 -7.4 34.1 16.5 96 103 A L H <> S+ 0 0 5 -3,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.835 112.6 50.0 -81.7 -34.4 -4.6 36.2 18.0 97 104 A I H X S+ 0 0 7 -4,-1.8 4,-2.7 -3,-0.3 5,-0.2 0.959 111.7 47.9 -64.8 -52.5 -3.0 33.2 19.6 98 105 A K H X S+ 0 0 3 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.867 115.8 44.3 -57.8 -40.8 -3.1 31.3 16.3 99 106 A S H X S+ 0 0 3 -4,-1.3 4,-3.0 -5,-0.3 5,-0.4 0.946 111.1 52.9 -71.7 -46.5 -1.7 34.3 14.4 100 107 A Y H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.902 113.8 43.9 -55.1 -40.2 1.0 35.0 16.9 101 108 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.920 112.3 52.9 -71.2 -41.0 2.1 31.4 16.7 102 109 A F H X S+ 0 0 45 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.959 114.0 41.1 -57.5 -53.4 1.9 31.4 12.9 103 110 A Q H X S+ 0 0 4 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.879 111.8 56.7 -61.4 -43.5 4.1 34.5 12.5 104 111 A L H X S+ 0 0 0 -4,-2.0 4,-3.2 -5,-0.4 -1,-0.2 0.909 110.7 43.3 -55.5 -46.2 6.5 33.3 15.3 105 112 A L H X S+ 0 0 0 -4,-2.4 4,-4.4 2,-0.2 5,-0.2 0.860 107.9 60.0 -69.3 -35.5 7.1 30.1 13.4 106 113 A Q H X S+ 0 0 65 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.967 112.6 39.6 -54.4 -51.1 7.4 32.1 10.1 107 114 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 3,-0.4 0.973 115.4 50.1 -61.6 -55.6 10.3 33.9 11.8 108 115 A L H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.3 5,-0.4 0.928 108.8 54.2 -47.8 -49.7 11.7 30.8 13.4 109 116 A A H X S+ 0 0 20 -4,-4.4 4,-1.7 1,-0.2 -1,-0.3 0.894 110.0 47.9 -51.1 -45.0 11.5 29.1 10.0 110 117 A F H X S+ 0 0 43 -4,-1.9 4,-1.4 -3,-0.4 -2,-0.2 0.964 114.5 42.8 -61.7 -57.1 13.5 31.9 8.5 111 118 A C H ><>S+ 0 0 0 -4,-2.4 5,-1.5 1,-0.2 3,-0.9 0.952 115.8 48.3 -55.1 -55.2 16.3 32.0 11.2 112 119 A H H ><5S+ 0 0 19 -4,-2.9 3,-2.3 3,-0.3 -1,-0.2 0.832 103.1 63.5 -54.6 -36.2 16.6 28.2 11.4 113 120 A S H 3<5S+ 0 0 81 -4,-1.7 -1,-0.3 -5,-0.4 -2,-0.2 0.903 108.2 40.7 -56.1 -41.8 16.8 28.2 7.6 114 121 A H T <<5S- 0 0 96 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.2 0.168 125.9-110.0 -90.5 16.8 20.0 30.2 7.9 115 122 A R T < 5 + 0 0 200 -3,-2.3 2,-0.5 1,-0.2 -3,-0.3 0.925 68.9 146.9 53.2 53.9 20.8 27.9 10.8 116 123 A V < - 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