==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-APR-07 2UZO . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.M.RICHARDSON,P.DOKURNO,J.B.MURRAY,A.E.SURGENOR . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14427.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 64.5 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 13.4 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 . 22 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 26.6 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 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 . 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 48 0, 0.0 3,-1.2 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 -6.3 26.3 -19.8 13.8 2 2 A E T 3 + 0 0 149 1,-0.3 22,-0.0 21,-0.1 0, 0.0 0.557 360.0 72.4 -75.4 -9.0 26.1 -23.7 13.6 3 3 A N T 3 S+ 0 0 71 20,-0.1 21,-2.1 21,-0.1 22,-0.6 0.293 96.7 66.7 -82.1 10.6 24.1 -23.7 16.8 4 4 A F E < -A 23 0A 15 -3,-1.2 2,-0.5 19,-0.3 19,-0.2 -0.991 68.2-154.6-135.9 135.3 21.4 -22.3 14.6 5 5 A Q E -A 22 0A 131 17,-2.5 17,-2.8 -2,-0.4 2,-0.3 -0.962 26.3-124.9-110.1 132.3 19.4 -23.9 11.7 6 6 A K E +A 21 0A 69 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.592 29.4 175.2 -81.1 133.2 18.0 -21.5 9.2 7 7 A V E - 0 0 62 13,-2.7 2,-0.3 1,-0.4 14,-0.2 0.824 63.7 -21.4-100.1 -49.2 14.2 -21.8 8.6 8 8 A E E -A 20 0A 123 12,-1.3 12,-1.8 3,-0.0 2,-0.7 -0.965 63.0-103.0-161.7 155.8 13.5 -18.9 6.2 9 9 A K E -A 19 0A 136 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.871 27.0-168.3 -94.2 115.2 15.0 -15.6 5.0 10 10 A I E - 0 0 84 8,-1.7 2,-0.2 -2,-0.7 9,-0.2 0.477 58.8 -70.7 -80.2 -4.0 12.9 -12.9 6.8 11 11 A G E -A 18 0A 30 7,-1.0 7,-2.6 2,-0.0 2,-0.5 -0.798 43.9 -86.5 139.7 177.4 14.4 -10.2 4.6 12 12 A E E -A 17 0A 45 -2,-0.2 5,-0.2 5,-0.2 143,-0.2 -0.884 47.4-175.1-128.2 97.4 17.6 -8.3 3.8 13 13 A G E > -A 16 0A 27 3,-1.1 3,-1.1 -2,-0.5 141,-0.5 0.024 45.6 -81.7 -81.2-169.6 17.9 -5.2 5.9 14 14 A T T 3 S+ 0 0 24 1,-0.3 140,-0.3 139,-0.1 3,-0.1 0.873 128.1 49.6 -61.9 -36.7 20.5 -2.4 6.0 15 15 A Y T 3 S- 0 0 20 1,-0.2 21,-0.3 138,-0.1 -1,-0.3 -0.172 124.0 -85.2 -99.2 38.6 22.9 -4.5 8.0 16 16 A G E < S-A 13 0A 1 -3,-1.1 -3,-1.1 19,-0.2 2,-0.4 -0.629 75.6 -15.4 96.0-153.5 22.8 -7.6 5.8 17 17 A V E -AB 12 34A 18 17,-0.6 17,-1.7 -5,-0.2 2,-0.5 -0.765 49.0-151.7-109.1 133.4 20.5 -10.6 5.8 18 18 A V E -AB 11 33A 25 -7,-2.6 -8,-1.7 -2,-0.4 -7,-1.0 -0.912 12.6-172.6-107.5 122.0 18.0 -11.7 8.4 19 19 A Y E -AB 9 32A 52 13,-3.0 13,-3.9 -2,-0.5 2,-0.5 -0.907 28.2-128.9-107.6 139.6 17.0 -15.3 8.9 20 20 A K E -AB 8 31A 45 -12,-1.8 -13,-2.7 -2,-0.4 -12,-1.3 -0.786 48.0-177.8 -71.3 125.3 14.3 -16.8 11.1 21 21 A A E -AB 6 30A 0 9,-2.6 9,-2.3 -2,-0.5 2,-0.5 -0.938 30.6-136.6-133.8 154.4 16.4 -19.5 12.8 22 22 A R E -AB 5 29A 110 -17,-2.8 -17,-2.5 -2,-0.3 2,-0.5 -0.970 28.7-122.7-110.7 118.9 16.1 -22.3 15.4 23 23 A N E > -A 4 0A 20 5,-2.6 4,-2.0 -2,-0.5 -19,-0.3 -0.491 25.0-138.4 -51.5 106.1 18.8 -22.6 18.0 24 24 A K T 4 S+ 0 0 70 -21,-2.1 -1,-0.2 -2,-0.5 -20,-0.2 0.567 94.6 31.6 -57.2 -9.7 19.8 -26.2 17.2 25 25 A L T 4 S+ 0 0 142 -22,-0.6 -1,-0.2 3,-0.1 -21,-0.1 0.789 121.0 40.1-111.3 -58.2 20.0 -27.0 21.0 26 26 A T T 4 S- 0 0 103 2,-0.1 -2,-0.1 1,-0.1 3,-0.1 0.878 92.3-130.4 -63.4 -38.6 17.5 -24.9 23.0 27 27 A G < + 0 0 47 -4,-2.0 -3,-0.1 1,-0.3 -1,-0.1 0.215 58.1 147.2 98.0 -10.4 14.7 -25.2 20.5 28 28 A E - 0 0 78 -5,-0.1 -5,-2.6 -6,-0.1 2,-0.4 -0.306 44.9-137.3 -61.6 135.5 14.3 -21.4 20.7 29 29 A V E +B 22 0A 51 -7,-0.2 48,-0.6 -3,-0.1 2,-0.3 -0.806 36.4 158.8 -98.0 133.7 13.1 -19.5 17.6 30 30 A V E -BC 21 76A 0 -9,-2.3 -9,-2.6 -2,-0.4 2,-0.6 -0.861 44.9-103.1-144.0 169.6 15.0 -16.3 17.0 31 31 A A E -BC 20 75A 11 44,-3.0 44,-3.3 -2,-0.3 2,-0.6 -0.967 34.1-157.7-105.0 122.0 15.9 -13.8 14.3 32 32 A L E -BC 19 74A 2 -13,-3.9 -13,-3.0 -2,-0.6 2,-0.6 -0.902 8.3-172.0-103.8 114.9 19.5 -14.2 13.1 33 33 A K E -BC 18 73A 8 40,-2.8 40,-2.3 -2,-0.6 2,-0.6 -0.918 9.9-157.1-103.4 106.9 21.2 -11.2 11.5 34 34 A K E -BC 17 72A 69 -17,-1.7 -17,-0.6 -2,-0.6 2,-0.3 -0.773 24.8-130.5 -78.0 124.9 24.6 -11.9 9.9 35 35 A I - 0 0 8 36,-3.2 2,-0.6 -2,-0.6 36,-0.5 -0.614 10.3-146.0 -77.7 134.9 26.2 -8.5 9.8 36 36 A R 0 0 40 -21,-0.3 118,-0.0 -2,-0.3 -20,-0.0 -0.941 360.0 360.0-103.5 117.2 27.7 -7.6 6.4 37 37 A L 0 0 125 -2,-0.6 -1,-0.1 -22,-0.0 33,-0.0 0.558 360.0 360.0-136.9 360.0 30.8 -5.5 7.2 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 44 A V 0 0 97 0, 0.0 2,-0.2 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 -17.8 35.4 -6.9 12.9 40 45 A P > - 0 0 77 0, 0.0 4,-1.5 0, 0.0 3,-0.5 -0.483 360.0-139.1 -73.1 133.2 36.1 -3.4 14.4 41 46 A S H > S+ 0 0 68 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.871 99.5 61.3 -54.0 -44.5 36.5 -3.4 18.2 42 47 A T H > S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.884 105.6 46.4 -49.8 -44.5 34.5 -0.2 18.6 43 48 A A H > S+ 0 0 6 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.842 108.4 55.7 -71.1 -36.3 31.4 -1.7 17.1 44 49 A I H X S+ 0 0 32 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.954 110.0 45.5 -62.3 -48.5 31.7 -4.9 19.2 45 50 A R H X S+ 0 0 154 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.877 114.9 47.0 -58.6 -43.3 31.7 -2.8 22.5 46 51 A E H X S+ 0 0 33 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.844 112.7 49.3 -71.2 -35.5 28.8 -0.6 21.3 47 52 A I H X S+ 0 0 0 -4,-2.2 4,-0.7 2,-0.2 3,-0.5 0.880 108.6 54.2 -67.8 -41.0 26.8 -3.6 20.3 48 53 A S H < S+ 0 0 37 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.829 104.5 55.0 -65.9 -29.7 27.6 -5.2 23.6 49 54 A L H >< S+ 0 0 111 -4,-1.5 3,-0.9 1,-0.2 -1,-0.2 0.805 101.5 58.1 -69.5 -28.5 26.1 -2.1 25.4 50 55 A L H >< S+ 0 0 12 -4,-0.8 3,-1.1 -3,-0.5 11,-0.3 0.683 90.3 72.2 -77.5 -16.6 22.9 -2.5 23.4 51 56 A K T 3< S+ 0 0 64 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.676 92.8 56.4 -71.6 -20.4 22.4 -6.0 24.9 52 57 A E T < S+ 0 0 134 -3,-0.9 2,-0.6 -4,-0.3 -1,-0.3 0.507 80.8 103.6 -91.6 -5.2 21.6 -4.5 28.2 53 58 A L < + 0 0 21 -3,-1.1 2,-0.4 -4,-0.1 8,-0.4 -0.685 48.4 169.8 -76.4 118.4 18.7 -2.4 26.8 54 59 A N + 0 0 85 -2,-0.6 5,-0.1 6,-0.1 -3,-0.0 -0.990 11.0 136.4-137.7 129.1 15.5 -4.1 27.9 55 60 A H > - 0 0 43 -2,-0.4 3,-1.6 3,-0.3 54,-0.0 -0.931 59.4-113.2-163.0 148.1 12.0 -2.6 27.5 56 61 A P T 3 S+ 0 0 88 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.655 115.2 54.8 -70.8 -7.3 8.8 -4.3 26.4 57 62 A N T 3 S+ 0 0 6 80,-0.1 81,-2.9 78,-0.1 2,-0.4 0.335 95.1 74.4-106.9 9.7 8.8 -2.0 23.3 58 63 A I B < S-e 138 0B 15 -3,-1.6 2,-0.5 79,-0.3 -3,-0.3 -0.943 87.8-114.8-120.1 136.7 12.2 -2.8 22.0 59 64 A V - 0 0 9 79,-2.6 81,-0.2 -2,-0.4 2,-0.1 -0.609 44.5-112.7 -73.0 121.9 13.0 -6.1 20.2 60 65 A K - 0 0 90 -2,-0.5 16,-2.3 1,-0.1 2,-1.0 -0.360 12.2-140.7 -66.5 128.8 15.5 -7.8 22.5 61 66 A L E +D 75 0A 9 -8,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.819 28.1 177.8 -77.7 99.0 19.1 -8.3 21.4 62 67 A L E + 0 0 34 12,-2.0 2,-0.3 -2,-1.0 13,-0.2 0.872 56.8 1.9 -74.6 -44.2 19.5 -11.9 22.9 63 68 A D E -D 74 0A 72 11,-1.5 11,-3.0 2,-0.0 2,-0.5 -0.994 50.9-153.1-149.5 146.4 23.1 -12.8 21.8 64 69 A V E -D 73 0A 31 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.986 19.8-165.4-118.7 115.0 26.0 -11.2 19.9 65 70 A I E -D 72 0A 40 7,-3.2 7,-2.7 -2,-0.5 2,-0.8 -0.893 11.0-177.0-114.7 112.4 28.2 -13.8 18.3 66 71 A H E +D 71 0A 83 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.872 27.9 148.1-106.4 98.0 31.6 -12.8 17.1 67 72 A T E > +D 70 0A 58 3,-2.2 3,-3.4 -2,-0.8 -2,-0.1 -0.978 59.2 4.7-140.7 142.9 33.1 -15.8 15.5 68 73 A E T 3 S- 0 0 160 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.858 129.0 -63.0 51.4 39.8 35.4 -16.6 12.6 69 74 A N T 3 S+ 0 0 126 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.655 115.8 122.5 51.7 22.4 35.8 -12.8 12.4 70 75 A K E < - D 0 67A 86 -3,-3.4 -3,-2.2 -31,-0.1 2,-0.5 -0.807 57.0-138.0-109.3 149.4 32.1 -12.7 11.6 71 76 A L E + D 0 66A 10 -36,-0.5 -36,-3.2 -2,-0.3 2,-0.4 -0.955 20.1 178.4-110.9 122.7 29.3 -10.9 13.5 72 77 A Y E -CD 34 65A 5 -7,-2.7 -7,-3.2 -2,-0.5 2,-0.5 -0.970 11.4-159.0-115.7 137.3 25.9 -12.5 14.1 73 78 A L E -CD 33 64A 0 -40,-2.3 -40,-2.8 -2,-0.4 2,-0.6 -0.984 5.2-154.8-118.2 123.1 23.2 -10.8 16.1 74 79 A V E -CD 32 63A 0 -11,-3.0 -12,-2.0 -2,-0.5 -11,-1.5 -0.892 18.6-176.2-102.0 118.4 20.4 -12.9 17.6 75 80 A F E -CD 31 61A 16 -44,-3.3 -44,-3.0 -2,-0.6 -14,-0.2 -0.790 36.3 -93.1-115.8 152.3 17.2 -11.0 18.2 76 81 A E E -C 30 0A 49 -16,-2.3 2,-0.5 -2,-0.3 -46,-0.2 -0.373 49.9-125.5 -54.1 135.8 13.8 -11.9 19.8 77 82 A F - 0 0 36 -48,-0.6 2,-0.3 -56,-0.1 -48,-0.1 -0.846 29.2-177.4 -97.4 127.6 11.6 -13.2 16.9 78 83 A L - 0 0 17 -2,-0.5 53,-0.1 1,-0.1 52,-0.1 -0.952 27.6-129.1-119.8 150.7 8.1 -11.6 16.2 79 84 A H S S+ 0 0 142 -2,-0.3 2,-0.3 51,-0.1 52,-0.1 0.664 78.6 21.7 -79.4 -23.6 5.8 -12.9 13.5 80 85 A Q E -F 130 0B 33 50,-1.1 50,-2.6 4,-0.0 2,-0.2 -0.969 58.7-143.2-138.9 160.0 4.9 -9.7 11.6 81 86 A D E > -F 129 0B 44 -2,-0.3 4,-1.5 48,-0.3 48,-0.2 -0.592 35.2-107.2-109.6 174.9 6.1 -6.1 10.9 82 87 A L H > S+ 0 0 0 46,-1.7 4,-3.2 43,-1.5 5,-0.2 0.846 112.3 61.9 -78.0 -31.5 3.9 -3.0 10.5 83 88 A K H > S+ 0 0 97 42,-0.6 4,-2.1 45,-0.2 -1,-0.2 0.946 108.6 40.9 -51.6 -57.8 4.4 -2.7 6.7 84 89 A K H > S+ 0 0 127 2,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.915 115.7 52.6 -61.3 -42.0 2.8 -6.1 5.9 85 90 A F H X S+ 0 0 18 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.887 110.7 46.6 -59.0 -42.9 0.1 -5.4 8.6 86 91 A M H < S+ 0 0 21 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.806 113.4 49.5 -68.6 -34.2 -0.7 -2.0 6.9 87 92 A D H >< S+ 0 0 97 -4,-2.1 3,-2.1 -5,-0.2 4,-0.2 0.970 107.7 53.8 -65.8 -54.9 -0.8 -3.7 3.5 88 93 A A H 3< S+ 0 0 83 -4,-3.5 3,-0.3 1,-0.3 -2,-0.2 0.815 116.1 39.7 -45.4 -39.3 -3.1 -6.5 4.8 89 94 A S T 3X S+ 0 0 18 -4,-1.3 4,-1.8 -5,-0.2 -1,-0.3 -0.064 76.5 120.5-108.2 36.0 -5.6 -3.8 6.1 90 95 A A T <4 S+ 0 0 43 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.769 77.7 45.9 -60.7 -30.4 -5.3 -1.4 3.2 91 96 A L T 4 S+ 0 0 165 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.819 122.4 28.6 -92.8 -34.3 -9.0 -1.6 2.4 92 97 A T T 4 S- 0 0 108 1,-0.0 -2,-0.2 3,-0.0 2,-0.1 0.860 102.6-126.4 -89.4 -43.7 -10.6 -1.3 5.9 93 98 A G < - 0 0 10 -4,-1.8 -3,-0.1 -7,-0.1 99,-0.1 -0.078 28.4 -79.3 103.8 146.1 -8.1 0.9 7.7 94 99 A I - 0 0 12 97,-0.6 5,-0.1 -2,-0.1 -8,-0.0 -0.754 59.7-110.0 -75.5 124.9 -6.3 0.2 11.0 95 100 A P >> - 0 0 79 0, 0.0 4,-2.0 0, 0.0 3,-1.5 -0.303 24.6-119.2 -59.8 142.8 -9.0 1.2 13.6 96 101 A L H 3> S+ 0 0 60 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.825 110.2 59.2 -53.5 -43.3 -8.0 4.4 15.4 97 102 A P H 3> S+ 0 0 68 0, 0.0 4,-1.8 0, 0.0 188,-0.4 0.840 110.0 45.2 -57.3 -28.7 -7.8 2.8 18.9 98 103 A L H <> S+ 0 0 8 -3,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.873 111.0 52.3 -81.8 -36.5 -5.1 0.4 17.6 99 104 A I H X S+ 0 0 5 -4,-2.0 4,-2.6 2,-0.2 -3,-0.2 0.937 112.6 46.9 -55.2 -49.7 -3.3 3.2 15.8 100 105 A K H X S+ 0 0 11 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.879 110.6 50.4 -61.2 -46.9 -3.3 5.1 19.0 101 106 A S H X S+ 0 0 2 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.900 112.7 47.6 -55.7 -46.5 -2.1 2.0 21.0 102 107 A Y H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.908 113.0 48.5 -65.2 -45.2 0.7 1.4 18.5 103 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.899 111.4 49.9 -57.8 -47.5 1.7 5.1 18.7 104 109 A F H X S+ 0 0 53 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.936 113.6 44.0 -61.2 -48.3 1.7 5.2 22.5 105 110 A Q H X S+ 0 0 13 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.862 112.1 52.5 -64.1 -40.9 3.9 2.1 22.9 106 111 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.910 108.5 51.1 -60.2 -45.6 6.4 3.1 20.2 107 112 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.876 107.5 54.2 -60.4 -31.9 6.8 6.5 22.0 108 113 A Q H X S+ 0 0 60 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.922 107.5 49.5 -66.8 -42.9 7.4 4.5 25.2 109 114 A G H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.939 114.2 46.1 -56.0 -52.1 10.2 2.6 23.4 110 115 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.847 108.3 54.5 -57.7 -46.2 11.7 5.9 22.2 111 116 A A H X S+ 0 0 24 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.967 113.1 44.2 -55.5 -53.9 11.4 7.6 25.6 112 117 A F H X S+ 0 0 45 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.955 116.9 44.4 -50.7 -59.3 13.4 4.7 27.2 113 118 A C H ><>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 3,-0.9 0.916 115.7 47.2 -55.0 -49.2 16.0 4.6 24.4 114 119 A H H ><5S+ 0 0 14 -4,-2.7 3,-1.4 1,-0.3 -1,-0.2 0.785 103.2 61.1 -65.7 -33.2 16.4 8.4 24.3 115 120 A S H 3<5S+ 0 0 80 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.721 108.0 48.1 -62.5 -21.2 16.7 8.6 28.1 116 121 A H T <<5S- 0 0 98 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.301 119.9-114.0 -98.3 4.6 19.8 6.4 27.4 117 122 A R T < 5S+ 0 0 166 -3,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.780 75.3 133.3 69.3 21.9 21.1 8.7 24.7 118 123 A V < - 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