==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 13-JUN-12 4FKL . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14425.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 61.4 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 . 38 13.1 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 . 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 . 15 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 26.9 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 . 1 1 1 0 3 0 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 52 0, 0.0 3,-2.1 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -21.1 -13.1 4.5 39.6 2 2 A E T 3 + 0 0 152 1,-0.3 22,-0.0 3,-0.1 0, 0.0 0.701 360.0 66.2 -58.5 -17.4 -13.0 4.2 43.4 3 3 A N T 3 S+ 0 0 63 20,-0.1 21,-2.7 21,-0.0 22,-0.5 0.407 95.5 68.9 -83.2 -1.5 -10.6 1.3 42.8 4 4 A F E < -A 23 0A 26 -3,-2.1 2,-0.5 19,-0.2 19,-0.2 -0.948 63.5-156.8-123.6 137.8 -8.0 3.7 41.4 5 5 A Q E -A 22 0A 106 17,-2.5 17,-2.4 -2,-0.4 2,-0.1 -0.967 23.4-128.5-111.6 120.5 -5.9 6.4 43.0 6 6 A K E +A 21 0A 119 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.443 25.4 178.9 -65.6 132.4 -4.5 9.1 40.7 7 7 A V E - 0 0 74 13,-3.3 2,-0.3 1,-0.4 14,-0.2 0.830 62.7 -32.1 -96.6 -55.4 -0.8 9.6 41.1 8 8 A E E -A 20 0A 115 12,-1.3 12,-2.9 0, 0.0 -1,-0.4 -0.986 60.3 -97.0-160.6 159.7 -0.2 12.4 38.5 9 9 A K E -A 19 0A 109 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.646 34.4-178.8 -77.3 134.7 -1.5 13.8 35.1 10 10 A I E - 0 0 61 8,-2.9 2,-0.3 1,-0.4 9,-0.2 0.399 53.9 -39.6-120.8 -2.4 0.8 12.4 32.4 11 11 A G E -A 18 0A 26 7,-1.1 7,-2.6 2,-0.0 2,-0.6 -0.905 51.1 -92.7 164.2 176.8 -0.7 14.0 29.4 12 12 A E E -A 17 0A 94 -2,-0.3 5,-0.2 5,-0.2 2,-0.0 -0.984 43.6-162.7-114.5 112.4 -3.7 15.2 27.3 13 13 A G - 0 0 20 3,-2.4 139,-0.4 -2,-0.6 140,-0.3 -0.171 37.2 -93.0 -82.2-176.6 -4.7 12.5 24.9 14 14 A T S S+ 0 0 18 1,-0.2 138,-1.4 137,-0.1 139,-0.1 0.922 124.1 27.0 -60.9 -39.2 -6.9 12.8 21.8 15 15 A Y S S- 0 0 44 1,-0.2 2,-0.3 136,-0.2 -1,-0.2 0.555 128.5 -35.6-105.0 -13.4 -10.0 11.9 23.8 16 16 A G S S- 0 0 6 19,-0.2 -3,-2.4 137,-0.0 -1,-0.2 -0.981 79.6 -43.1 170.3 178.3 -9.3 13.0 27.3 17 17 A V E -A 12 0A 22 -2,-0.3 17,-2.1 -5,-0.2 2,-0.5 -0.347 45.5-145.8 -69.9 148.8 -6.9 13.4 30.1 18 18 A V E -AB 11 33A 14 -7,-2.6 -8,-2.9 15,-0.2 -7,-1.1 -0.981 18.1-172.6-117.5 128.3 -4.4 10.5 30.9 19 19 A Y E -AB 9 32A 58 13,-2.6 13,-3.3 -2,-0.5 2,-0.5 -0.926 27.8-129.8-117.6 145.0 -3.3 9.8 34.4 20 20 A K E +AB 8 31A 42 -12,-2.9 -13,-3.3 -2,-0.4 -12,-1.3 -0.804 47.4 170.6 -78.2 130.9 -0.8 7.6 36.0 21 21 A A E -AB 6 30A 0 9,-2.6 9,-2.8 -2,-0.5 2,-0.5 -0.946 34.4-122.0-142.0 163.5 -2.8 5.8 38.7 22 22 A R E -AB 5 29A 104 -17,-2.4 -17,-2.5 -2,-0.3 2,-0.7 -0.961 18.3-138.8-114.0 127.7 -2.6 2.9 41.2 23 23 A N E > -A 4 0A 12 5,-3.3 4,-2.3 -2,-0.5 -19,-0.2 -0.770 13.3-158.1 -79.5 110.5 -5.0 -0.0 41.0 24 24 A K T 4 S+ 0 0 128 -21,-2.7 -1,-0.1 -2,-0.7 -20,-0.1 0.703 86.9 52.3 -69.1 -20.8 -5.8 -0.7 44.7 25 25 A L T 4 S+ 0 0 137 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.891 125.2 21.8 -81.2 -44.6 -6.9 -4.3 44.1 26 26 A T T 4 S- 0 0 89 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.651 95.7-126.9 -97.4 -18.3 -3.8 -5.5 42.2 27 27 A G < + 0 0 39 -4,-2.3 -3,-0.1 1,-0.3 2,-0.0 0.327 60.5 150.8 81.5 -6.7 -1.3 -2.8 43.4 28 28 A E - 0 0 70 -5,-0.1 -5,-3.3 -6,-0.1 2,-0.4 -0.267 47.0-137.2 -57.9 132.5 -0.7 -2.3 39.7 29 29 A V E +B 22 0A 49 -7,-0.2 46,-0.6 -3,-0.1 2,-0.3 -0.856 38.5 171.7 -89.0 133.1 0.5 1.1 38.4 30 30 A V E -BC 21 74A 0 -9,-2.8 -9,-2.6 -2,-0.4 2,-0.6 -0.842 40.8-111.9-137.1 165.7 -1.5 1.9 35.2 31 31 A A E -BC 20 73A 8 42,-2.9 42,-3.0 -2,-0.3 2,-0.5 -0.950 34.9-160.2-100.8 119.9 -2.3 4.6 32.7 32 32 A L E -BC 19 72A 5 -13,-3.3 -13,-2.6 -2,-0.6 2,-0.5 -0.898 5.4-165.1-110.1 125.9 -5.9 5.6 33.1 33 33 A K E -BC 18 71A 29 38,-2.9 38,-2.6 -2,-0.5 2,-0.4 -0.950 11.5-149.4-119.8 121.6 -7.6 7.4 30.2 34 34 A K E C 0 70A 73 -17,-2.1 36,-0.2 -2,-0.5 -21,-0.1 -0.746 360.0 360.0 -84.4 128.8 -10.9 9.3 30.3 35 35 A I 0 0 47 34,-2.6 34,-0.5 -2,-0.4 -19,-0.2 -0.875 360.0 360.0-103.6 360.0 -12.7 9.1 26.9 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 53 0, 0.0 31,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 132.9 -21.3 5.6 25.6 38 45 A P >> - 0 0 88 0, 0.0 4,-1.8 0, 0.0 3,-0.6 -0.259 360.0-130.2 -56.0 137.2 -22.4 4.3 22.2 39 46 A S H 3> S+ 0 0 69 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.846 106.2 60.8 -63.1 -33.1 -22.9 0.6 22.2 40 47 A T H 3> S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.887 104.8 48.6 -60.7 -39.2 -20.8 0.2 19.0 41 48 A A H <> S+ 0 0 4 -3,-0.6 4,-2.8 2,-0.2 5,-0.3 0.914 109.5 52.7 -67.1 -41.8 -17.8 1.8 20.8 42 49 A I H X S+ 0 0 42 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.923 111.4 45.7 -59.9 -45.7 -18.2 -0.6 23.8 43 50 A R H X S+ 0 0 163 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.923 114.0 48.2 -66.1 -40.8 -18.2 -3.6 21.5 44 51 A E H X S+ 0 0 30 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.927 113.6 46.9 -63.1 -46.6 -15.2 -2.4 19.5 45 52 A I H X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 3,-0.3 0.898 107.7 56.2 -65.2 -39.2 -13.2 -1.6 22.5 46 53 A S H >< S+ 0 0 42 -4,-2.3 3,-1.0 -5,-0.3 4,-0.4 0.882 102.5 56.4 -59.0 -38.7 -14.1 -4.9 24.1 47 54 A L H >< S+ 0 0 120 -4,-1.8 3,-1.4 1,-0.2 4,-0.4 0.857 99.2 61.0 -58.9 -36.2 -12.6 -6.7 21.1 48 55 A L H >< S+ 0 0 13 -4,-1.4 3,-1.1 -3,-0.3 11,-0.3 0.770 86.8 75.3 -65.5 -21.8 -9.3 -4.9 21.7 49 56 A K T << S+ 0 0 67 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.745 100.8 42.7 -61.9 -23.6 -9.0 -6.5 25.1 50 57 A E T < S+ 0 0 153 -3,-1.4 2,-1.9 -4,-0.4 -1,-0.3 0.564 84.8 96.4-103.5 0.2 -8.0 -9.7 23.4 51 58 A L < + 0 0 18 -3,-1.1 2,-0.4 -4,-0.4 -1,-0.1 -0.514 60.9 167.3 -86.3 72.1 -5.7 -8.2 20.8 52 59 A N + 0 0 60 -2,-1.9 5,-0.1 6,-0.1 6,-0.0 -0.778 9.0 145.5-100.4 130.9 -2.6 -9.0 22.9 53 60 A H > - 0 0 43 -2,-0.4 3,-2.2 3,-0.4 54,-0.0 -0.968 55.3-112.9-157.1 150.4 1.0 -8.8 21.7 54 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.726 117.9 49.4 -63.1 -18.4 4.3 -7.9 23.4 55 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.179 97.6 80.9-105.1 16.2 4.6 -4.8 21.1 56 63 A I B < S-e 136 0B 11 -3,-2.2 -3,-0.4 79,-0.3 81,-0.2 -0.991 90.5-114.2-119.4 124.8 1.1 -3.6 21.8 57 64 A V - 0 0 8 79,-2.5 2,-0.2 -2,-0.4 82,-0.2 -0.410 44.8-110.1 -57.7 127.9 0.5 -1.6 25.0 58 65 A K - 0 0 93 -2,-0.1 16,-2.6 -4,-0.1 2,-0.9 -0.416 17.7-141.9 -72.8 129.0 -1.8 -3.9 27.0 59 66 A L E -D 73 0A 12 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.808 22.0-178.5 -85.1 107.4 -5.5 -2.9 27.4 60 67 A L E - 0 0 34 12,-2.4 2,-0.3 -2,-0.9 13,-0.2 0.885 56.2 -14.2 -78.1 -43.7 -6.1 -4.0 31.0 61 68 A D E -D 72 0A 80 11,-1.5 11,-2.9 2,-0.0 2,-0.5 -0.986 44.6-140.7-162.2 158.1 -9.8 -3.0 31.4 62 69 A V E -D 71 0A 26 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.993 23.1-167.7-121.6 120.4 -12.6 -1.1 30.0 63 70 A I E -D 70 0A 37 7,-2.9 7,-2.4 -2,-0.5 2,-0.6 -0.960 4.9-171.5-115.6 117.1 -14.8 0.6 32.7 64 71 A H E +D 69 0A 82 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.915 24.3 150.0-106.7 112.5 -18.2 2.1 31.6 65 72 A T - 0 0 74 3,-2.5 3,-0.1 -2,-0.6 -2,-0.0 -0.998 57.9 -0.5-147.7 142.1 -19.9 4.2 34.5 66 73 A E S S- 0 0 159 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.861 134.8 -49.8 51.1 42.5 -22.3 7.2 35.1 67 74 A N S S+ 0 0 143 1,-0.2 2,-0.3 -30,-0.1 -1,-0.3 0.853 118.6 124.0 56.7 43.4 -22.4 7.4 31.2 68 75 A K - 0 0 64 -3,-0.1 -3,-2.5 -31,-0.1 2,-0.5 -0.969 51.1-149.7-137.8 153.6 -18.6 7.3 31.2 69 76 A L E + D 0 64A 1 -34,-0.5 -34,-2.6 -2,-0.3 2,-0.4 -0.965 13.4 179.0-123.8 125.7 -15.8 5.3 29.7 70 77 A Y E -CD 34 63A 35 -7,-2.4 -7,-2.9 -2,-0.5 2,-0.5 -0.990 13.0-155.1-122.2 132.6 -12.4 4.8 31.2 71 78 A L E -CD 33 62A 0 -38,-2.6 -38,-2.9 -2,-0.4 2,-0.6 -0.937 5.2-155.4-109.2 133.8 -9.7 2.8 29.6 72 79 A V E +CD 32 61A 2 -11,-2.9 -12,-2.4 -2,-0.5 -11,-1.5 -0.946 20.3 178.5-113.1 118.0 -7.0 1.2 31.8 73 80 A F E -CD 31 59A 9 -42,-3.0 -42,-2.9 -2,-0.6 -14,-0.2 -0.827 38.0 -90.9-116.4 155.2 -3.7 0.5 30.1 74 81 A E E -C 30 0A 48 -16,-2.6 2,-0.4 -2,-0.3 -44,-0.2 -0.351 50.5-123.5 -49.1 138.0 -0.3 -0.9 30.9 75 82 A F - 0 0 36 -46,-0.6 2,-0.4 -18,-0.0 -46,-0.1 -0.783 27.2-174.6 -95.9 133.5 2.0 2.0 32.0 76 83 A L - 0 0 16 -2,-0.4 53,-0.1 1,-0.1 52,-0.0 -0.956 23.8-134.9-125.3 150.6 5.2 2.8 30.3 77 84 A H S S+ 0 0 113 -2,-0.4 2,-0.3 51,-0.3 52,-0.1 0.683 77.1 27.6 -82.0 -18.6 7.6 5.4 31.5 78 85 A Q E -F 128 0B 37 50,-1.1 50,-2.6 4,-0.0 2,-0.2 -0.983 59.8-143.4-144.7 149.3 8.6 7.2 28.2 79 86 A D E > -F 127 0B 18 -2,-0.3 4,-2.0 48,-0.3 48,-0.2 -0.715 30.6-115.6-107.6 163.6 7.4 8.0 24.7 80 87 A L H > S+ 0 0 0 46,-2.5 4,-3.0 43,-1.1 5,-0.2 0.806 112.2 61.0 -68.9 -28.0 9.4 8.1 21.5 81 88 A K H > S+ 0 0 60 42,-0.8 4,-2.3 45,-0.3 -1,-0.2 0.959 108.9 42.2 -63.7 -48.1 8.7 11.8 21.1 82 89 A K H > S+ 0 0 114 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.918 114.7 51.5 -64.8 -36.6 10.4 12.6 24.4 83 90 A F H X S+ 0 0 7 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.912 110.2 48.3 -68.1 -42.1 13.2 10.2 23.6 84 91 A M H < S+ 0 0 22 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.916 111.8 49.8 -64.2 -39.0 13.9 11.7 20.2 85 92 A D H >< S+ 0 0 95 -4,-2.3 3,-1.4 1,-0.2 4,-0.2 0.936 112.5 47.5 -63.8 -46.1 13.9 15.2 21.7 86 93 A A H 3< S+ 0 0 81 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.741 113.3 48.3 -64.6 -24.1 16.4 14.0 24.4 87 94 A S T 3X S+ 0 0 14 -4,-1.5 4,-3.7 -3,-0.2 -1,-0.2 0.139 80.9 110.2 -97.5 13.4 18.6 12.3 21.7 88 95 A A T <4 S+ 0 0 47 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.869 73.4 49.1 -61.9 -40.3 18.6 15.4 19.4 89 96 A L T 4 S+ 0 0 169 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.895 130.0 19.7 -73.3 -29.1 22.2 16.4 19.8 90 97 A T T 4 S- 0 0 112 -3,-0.2 -2,-0.2 -4,-0.1 -1,-0.2 0.684 102.5-125.9-110.8 -28.0 23.6 12.9 19.2 91 98 A G < - 0 0 12 -4,-3.7 -3,-0.1 -7,-0.2 99,-0.1 0.173 36.0 -74.8 83.8 147.3 20.8 11.0 17.4 92 99 A I - 0 0 12 97,-0.5 5,-0.1 1,-0.1 100,-0.0 -0.663 64.4-101.5 -67.5 130.8 19.3 7.7 18.4 93 100 A P >> - 0 0 81 0, 0.0 4,-2.3 0, 0.0 3,-1.0 -0.259 26.5-120.2 -58.2 142.2 21.9 5.1 17.5 94 101 A L H 3> S+ 0 0 73 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.856 111.7 56.2 -53.3 -41.7 21.2 3.1 14.3 95 102 A P H 3> S+ 0 0 71 0, 0.0 4,-2.1 0, 0.0 188,-0.4 0.858 110.7 45.5 -62.2 -31.9 21.1 -0.3 16.0 96 103 A L H <> S+ 0 0 6 -3,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.885 110.9 51.7 -75.5 -40.9 18.4 1.1 18.3 97 104 A I H X S+ 0 0 6 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.936 112.4 48.1 -53.1 -47.1 16.5 2.7 15.5 98 105 A K H X S+ 0 0 12 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.915 111.0 49.1 -63.4 -46.4 16.6 -0.7 13.7 99 106 A S H X S+ 0 0 3 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.916 113.0 47.9 -56.9 -48.0 15.5 -2.6 16.8 100 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.933 112.4 48.1 -61.8 -44.9 12.6 -0.2 17.4 101 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.921 112.0 50.5 -60.7 -44.3 11.5 -0.4 13.7 102 109 A F H X S+ 0 0 56 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.927 112.7 45.7 -58.3 -47.5 11.6 -4.1 13.8 103 110 A Q H X S+ 0 0 12 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.899 111.7 51.0 -65.0 -41.5 9.5 -4.3 17.0 104 111 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.901 108.2 52.9 -65.4 -38.7 7.0 -1.9 15.7 105 112 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.858 106.9 53.4 -62.8 -37.3 6.6 -3.9 12.5 106 113 A Q H X S+ 0 0 61 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.919 108.9 48.4 -62.5 -43.1 6.0 -7.0 14.6 107 114 A G H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.921 114.4 45.9 -61.6 -46.5 3.2 -5.2 16.4 108 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.915 109.6 53.7 -61.9 -44.1 1.7 -4.0 13.2 109 116 A A H X S+ 0 0 24 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.912 111.1 48.0 -59.7 -39.8 2.0 -7.4 11.5 110 117 A F H X S+ 0 0 46 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.962 116.4 40.9 -62.7 -54.7 0.1 -8.9 14.5 111 118 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-1.2 0.936 114.7 51.6 -63.0 -44.5 -2.7 -6.3 14.5 112 119 A H H ><5S+ 0 0 26 -4,-3.2 3,-2.0 1,-0.3 -1,-0.2 0.855 101.3 61.3 -61.5 -32.4 -3.0 -6.3 10.7 113 120 A S H 3<5S+ 0 0 72 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.752 107.2 46.7 -66.1 -22.9 -3.3 -10.1 10.7 114 121 A H T <<5S- 0 0 86 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.201 121.7-112.3 -99.0 10.6 -6.5 -9.6 12.7 115 122 A R T < 5S+ 0 0 178 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.768 73.1 136.3 63.0 32.7 -7.6 -6.9 10.4 116 123 A V < - 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