==== 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 4FKG . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY . 286 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14436.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 62.9 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 . 37 12.9 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 . 14 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 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 . 0 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 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 59 0, 0.0 3,-1.9 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 -13.2 -13.1 -4.3 -39.5 2 2 A E T 3 + 0 0 97 1,-0.3 22,-0.0 3,-0.1 0, 0.0 0.658 360.0 67.3 -65.4 -14.8 -13.1 -4.2 -43.3 3 3 A N T 3 S+ 0 0 77 20,-0.1 21,-3.1 21,-0.0 22,-0.4 0.458 94.7 73.2 -82.3 -4.8 -10.6 -1.3 -42.8 4 4 A F E < -A 23 0A 30 -3,-1.9 2,-0.6 19,-0.2 19,-0.2 -0.933 60.9-159.2-121.7 140.0 -8.0 -3.8 -41.4 5 5 A Q E -A 22 0A 126 17,-2.4 17,-2.5 -2,-0.4 2,-0.2 -0.968 25.7-132.3-112.5 112.1 -5.8 -6.4 -43.0 6 6 A K E -A 21 0A 76 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.494 23.7-178.1 -65.9 128.9 -4.7 -9.1 -40.4 7 7 A V E - 0 0 80 13,-3.3 2,-0.3 1,-0.4 14,-0.2 0.884 60.5 -32.9 -90.8 -58.4 -0.9 -9.7 -40.8 8 8 A E E -A 20 0A 108 12,-1.1 12,-3.2 0, 0.0 -1,-0.4 -0.976 60.9 -94.1-159.9 160.0 -0.4 -12.4 -38.1 9 9 A K E -A 19 0A 133 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.655 35.6-179.6 -77.5 127.9 -1.6 -13.6 -34.7 10 10 A I E - 0 0 76 8,-3.0 2,-0.3 -2,-0.4 9,-0.2 0.540 54.8 -34.9-109.3 -11.0 0.7 -12.1 -32.0 11 11 A G E -A 18 0A 28 7,-1.4 7,-2.7 2,-0.0 2,-0.5 -0.967 47.6-104.1 170.4 175.2 -0.8 -13.6 -28.9 12 12 A E E -A 17 0A 38 -2,-0.3 5,-0.2 5,-0.2 136,-0.1 -0.981 39.9-167.2-127.3 108.1 -3.8 -14.9 -26.8 13 13 A G - 0 0 17 3,-3.0 136,-0.4 -2,-0.5 137,-0.3 -0.070 38.9 -93.6 -83.3-171.0 -4.8 -12.5 -24.1 14 14 A T S S+ 0 0 30 134,-0.2 135,-0.8 1,-0.1 136,-0.1 0.923 125.8 31.6 -69.1 -45.6 -7.1 -12.9 -21.1 15 15 A Y S S- 0 0 43 1,-0.2 2,-0.3 133,-0.2 -1,-0.1 0.801 127.8 -51.6 -85.3 -35.6 -10.1 -11.5 -23.0 16 16 A G S S- 0 0 2 19,-0.2 -3,-3.0 133,-0.0 -1,-0.2 -0.961 74.0 -32.6-178.3-167.3 -9.3 -12.7 -26.6 17 17 A V E -A 12 0A 17 17,-0.4 17,-2.6 -2,-0.3 2,-0.5 -0.472 43.7-149.1 -77.1 143.1 -6.9 -13.0 -29.6 18 18 A V E -AB 11 33A 19 -7,-2.7 -8,-3.0 15,-0.2 -7,-1.4 -0.973 17.5-175.3-116.4 126.4 -4.4 -10.3 -30.4 19 19 A Y E -AB 9 32A 79 13,-2.7 13,-3.3 -2,-0.5 2,-0.5 -0.914 28.4-129.2-119.9 152.0 -3.4 -9.7 -34.0 20 20 A K E +AB 8 31A 41 -12,-3.2 -13,-3.3 -2,-0.4 -12,-1.1 -0.813 46.2 172.4 -88.9 133.5 -0.9 -7.5 -35.8 21 21 A A E -AB 6 30A 0 9,-2.8 9,-2.8 -2,-0.5 2,-0.4 -0.943 33.0-124.7-143.2 163.7 -2.9 -5.7 -38.5 22 22 A R E -AB 5 29A 111 -17,-2.5 -17,-2.4 -2,-0.3 2,-0.7 -0.961 18.5-137.6-114.5 130.4 -2.7 -2.9 -41.1 23 23 A N E > -A 4 0A 20 5,-3.5 4,-1.9 -2,-0.4 5,-0.2 -0.782 12.7-156.2 -83.7 112.0 -5.2 0.0 -41.2 24 24 A K T 4 S+ 0 0 89 -21,-3.1 -1,-0.1 -2,-0.7 -20,-0.1 0.674 86.9 54.4 -64.3 -22.9 -6.0 0.4 -45.0 25 25 A L T 4 S+ 0 0 131 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.887 125.4 17.1 -79.5 -45.7 -7.0 4.1 -44.6 26 26 A T T 4 S- 0 0 100 2,-0.1 -2,-0.2 -3,-0.1 3,-0.1 0.461 97.2-119.9-106.3 -10.3 -3.8 5.5 -42.9 27 27 A G < + 0 0 40 -4,-1.9 -3,-0.2 1,-0.2 2,-0.1 0.443 60.5 158.5 78.2 3.2 -1.4 2.7 -43.8 28 28 A E - 0 0 79 -5,-0.2 -5,-3.5 -6,-0.1 2,-0.5 -0.313 39.7-140.9 -63.3 134.7 -1.0 2.3 -39.9 29 29 A V E +B 22 0A 50 -7,-0.2 45,-0.6 -3,-0.1 2,-0.3 -0.855 36.9 166.8 -96.5 127.4 0.4 -1.0 -38.4 30 30 A V E -BC 21 73A 0 -9,-2.8 -9,-2.8 -2,-0.5 2,-0.5 -0.856 41.1-112.2-135.2 169.7 -1.6 -1.7 -35.2 31 31 A A E -BC 20 72A 11 41,-2.6 41,-3.0 -2,-0.3 2,-0.5 -0.941 32.7-158.0-104.0 129.9 -2.3 -4.4 -32.6 32 32 A L E -BC 19 71A 6 -13,-3.3 -13,-2.7 -2,-0.5 2,-0.5 -0.946 4.7-164.4-112.9 123.2 -6.0 -5.6 -32.7 33 33 A K E -BC 18 70A 19 37,-2.9 37,-2.5 -2,-0.5 2,-0.6 -0.925 7.4-153.3-108.9 125.4 -7.6 -7.2 -29.7 34 34 A K E C 0 69A 25 -17,-2.6 -17,-0.4 -2,-0.5 35,-0.2 -0.894 360.0 360.0 -99.3 116.8 -10.8 -9.1 -30.3 35 35 A I 0 0 59 33,-3.6 33,-1.5 -2,-0.6 -19,-0.2 -0.858 360.0 360.0 -95.9 360.0 -12.9 -9.2 -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 45 A P >> 0 0 135 0, 0.0 4,-1.2 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 154.8 -22.6 -4.7 -22.0 38 46 A S H 3> + 0 0 76 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.785 360.0 62.0 -60.1 -37.6 -22.9 -0.9 -22.2 39 47 A T H 3> S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.838 103.6 51.9 -60.6 -34.3 -21.0 -0.2 -18.9 40 48 A A H <> S+ 0 0 3 -3,-0.7 4,-2.9 2,-0.2 5,-0.3 0.935 107.2 52.3 -66.4 -44.9 -17.9 -1.8 -20.6 41 49 A I H X S+ 0 0 47 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.921 112.7 45.0 -56.7 -47.5 -18.3 0.5 -23.7 42 50 A R H X S+ 0 0 162 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.909 115.3 46.6 -63.5 -46.1 -18.4 3.7 -21.5 43 51 A E H X S+ 0 0 30 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.888 113.7 48.0 -64.2 -43.6 -15.4 2.5 -19.3 44 52 A I H >X S+ 0 0 0 -4,-2.9 3,-0.8 1,-0.2 4,-0.7 0.898 107.9 55.8 -66.6 -37.5 -13.3 1.6 -22.4 45 53 A S H >< S+ 0 0 43 -4,-2.3 3,-0.9 -5,-0.3 4,-0.3 0.858 101.6 57.3 -62.9 -34.0 -14.1 4.9 -24.0 46 54 A L H >< S+ 0 0 96 -4,-1.5 3,-1.0 1,-0.2 4,-0.4 0.778 99.5 61.7 -64.4 -29.2 -12.7 6.7 -20.9 47 55 A L H X< S+ 0 0 12 -4,-0.8 3,-0.9 -3,-0.8 11,-0.3 0.763 87.2 69.1 -71.0 -23.7 -9.4 4.8 -21.6 48 56 A K T << S+ 0 0 83 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.669 101.8 50.1 -63.7 -20.1 -9.0 6.5 -25.0 49 57 A E T < S+ 0 0 157 -3,-1.0 2,-1.8 -4,-0.3 -1,-0.2 0.574 85.4 90.0 -88.0 -25.0 -8.3 9.7 -23.0 50 58 A L < + 0 0 15 -3,-0.9 2,-0.4 -4,-0.4 8,-0.2 -0.564 62.1 166.3 -83.1 72.4 -5.8 8.2 -20.6 51 59 A N + 0 0 72 -2,-1.8 5,-0.1 6,-0.1 -3,-0.0 -0.817 6.2 145.8-100.7 129.1 -2.7 9.0 -22.8 52 60 A H > - 0 0 44 -2,-0.4 3,-2.1 3,-0.4 54,-0.0 -0.978 55.4-113.9-156.2 148.9 0.9 8.9 -21.6 53 61 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.731 118.2 49.6 -61.0 -20.9 4.3 8.0 -23.2 54 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.186 97.7 80.6-104.1 18.9 4.5 4.9 -21.0 55 63 A I B < S-e 135 0B 11 -3,-2.1 -3,-0.4 79,-0.3 81,-0.2 -0.995 89.7-114.6-122.7 126.3 1.0 3.6 -21.7 56 64 A V - 0 0 9 79,-2.5 2,-0.2 -2,-0.4 82,-0.1 -0.406 45.5-108.9 -60.2 127.4 0.3 1.7 -24.9 57 65 A K - 0 0 89 -2,-0.1 16,-2.5 -4,-0.1 2,-0.8 -0.419 18.5-143.9 -69.7 129.5 -2.0 4.0 -26.9 58 66 A L E -D 72 0A 11 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.818 22.5-179.8 -87.7 105.4 -5.6 2.9 -27.2 59 67 A L E - 0 0 36 12,-2.6 2,-0.3 -2,-0.8 13,-0.2 0.892 56.1 -15.7 -76.8 -44.2 -6.4 4.2 -30.8 60 68 A D E -D 71 0A 87 11,-1.5 11,-2.9 2,-0.0 2,-0.4 -0.989 46.6-137.3-161.0 158.9 -10.0 3.2 -31.1 61 69 A V E -D 70 0A 27 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.989 22.1-168.3-121.3 123.3 -12.8 1.0 -29.8 62 70 A I E -D 69 0A 40 7,-3.1 7,-2.8 -2,-0.4 2,-0.6 -0.968 4.8-173.1-118.8 116.4 -15.0 -0.7 -32.5 63 71 A H E +D 68 0A 107 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.941 22.4 152.5-111.8 109.2 -18.3 -2.4 -31.4 64 72 A T E > -D 67 0A 65 3,-2.0 3,-2.1 -2,-0.6 -2,-0.1 -0.995 62.6 -8.5-141.5 136.7 -19.9 -4.4 -34.3 65 73 A E T 3 S- 0 0 105 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.805 126.8 -55.3 44.7 44.4 -22.2 -7.5 -34.4 66 74 A N T 3 S+ 0 0 161 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.672 116.4 116.0 63.5 23.3 -21.9 -8.0 -30.6 67 75 A K E < - D 0 64A 26 -3,-2.1 -3,-2.0 2,-0.0 2,-0.5 -0.893 54.5-149.1-117.5 145.7 -18.0 -8.2 -31.0 68 76 A L E - D 0 63A 13 -33,-1.5 -33,-3.6 -2,-0.3 2,-0.4 -0.986 11.6-171.9-120.9 125.6 -15.7 -5.7 -29.4 69 77 A Y E -CD 34 62A 62 -7,-2.8 -7,-3.1 -2,-0.5 2,-0.5 -0.979 6.9-160.2-119.4 130.1 -12.3 -4.8 -31.1 70 78 A L E -CD 33 61A 0 -37,-2.5 -37,-2.9 -2,-0.4 2,-0.6 -0.922 8.1-153.3-109.7 127.9 -9.7 -2.6 -29.4 71 79 A V E +CD 32 60A 3 -11,-2.9 -12,-2.6 -2,-0.5 -11,-1.5 -0.928 22.2 177.5-105.3 121.1 -7.2 -1.0 -31.7 72 80 A F E -CD 31 58A 18 -41,-3.0 -41,-2.6 -2,-0.6 -14,-0.2 -0.832 37.7 -90.9-123.1 159.5 -3.8 -0.2 -30.1 73 81 A E E -C 30 0A 51 -16,-2.5 2,-0.4 -2,-0.3 -43,-0.2 -0.374 50.1-122.4 -59.1 143.1 -0.4 1.1 -30.9 74 82 A F - 0 0 36 -45,-0.6 2,-0.3 -53,-0.1 -45,-0.1 -0.833 28.0-175.1 -97.0 134.7 1.9 -1.8 -32.0 75 83 A L - 0 0 15 -2,-0.4 53,-0.1 53,-0.1 3,-0.0 -0.922 25.4-131.3-123.8 149.5 5.2 -2.5 -30.2 76 84 A H S S+ 0 0 106 -2,-0.3 2,-0.3 51,-0.3 52,-0.1 0.537 77.8 18.6 -82.6 -11.5 7.6 -5.2 -31.4 77 85 A Q E -F 127 0B 22 50,-1.0 50,-2.8 211,-0.1 2,-0.3 -0.991 61.3-135.6-155.9 155.4 8.4 -7.1 -28.3 78 86 A D E > -F 126 0B 51 -2,-0.3 4,-2.0 48,-0.3 48,-0.3 -0.725 30.2-114.9-107.8 162.7 7.1 -7.8 -24.8 79 87 A L H > S+ 0 0 0 46,-3.0 4,-2.8 43,-1.0 44,-0.2 0.826 112.1 60.8 -67.8 -31.1 9.2 -7.9 -21.6 80 88 A K H > S+ 0 0 89 42,-0.8 4,-2.2 45,-0.3 -1,-0.2 0.942 109.2 42.3 -59.9 -47.2 8.5 -11.7 -21.0 81 89 A K H > S+ 0 0 132 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.915 114.5 51.8 -65.8 -38.8 10.2 -12.5 -24.3 82 90 A F H X S+ 0 0 9 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.872 110.4 48.2 -64.8 -40.2 13.0 -10.0 -23.6 83 91 A M H < S+ 0 0 20 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.907 112.1 48.9 -67.3 -40.1 13.7 -11.5 -20.2 84 92 A D H >< S+ 0 0 100 -4,-2.2 3,-1.3 1,-0.2 4,-0.2 0.920 112.6 48.6 -61.9 -45.3 13.7 -15.1 -21.7 85 93 A A H 3< S+ 0 0 80 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.777 113.9 46.3 -64.6 -29.4 16.2 -13.8 -24.4 86 94 A S T 3X S+ 0 0 16 -4,-1.6 4,-3.3 1,-0.2 -1,-0.3 0.184 82.0 110.3 -96.8 12.4 18.4 -12.1 -21.8 87 95 A A T <4 S+ 0 0 46 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.817 77.0 45.4 -57.7 -41.0 18.3 -15.3 -19.4 88 96 A L T 4 S+ 0 0 169 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.844 129.3 23.3 -76.6 -30.4 22.0 -16.3 -19.9 89 97 A T T 4 S- 0 0 117 -4,-0.2 -2,-0.2 -3,-0.1 -1,-0.1 0.708 102.5-128.3-104.4 -30.9 23.5 -12.8 -19.5 90 98 A G < - 0 0 13 -4,-3.3 -3,-0.1 -7,-0.2 97,-0.1 0.171 32.4 -77.2 85.2 148.5 20.8 -10.9 -17.5 91 99 A I - 0 0 13 95,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.697 61.5-102.2 -73.0 129.1 19.3 -7.5 -18.4 92 100 A P >> - 0 0 82 0, 0.0 4,-2.3 0, 0.0 3,-0.9 -0.255 26.2-120.6 -55.6 138.8 22.0 -4.8 -17.5 93 101 A L H 3> S+ 0 0 72 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.878 111.7 56.1 -49.2 -45.0 21.2 -3.0 -14.2 94 102 A P H 3> S+ 0 0 69 0, 0.0 4,-2.1 0, 0.0 186,-0.4 0.870 110.8 45.9 -59.7 -33.2 21.0 0.5 -16.0 95 103 A L H <> S+ 0 0 8 -3,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.903 111.5 50.3 -73.8 -40.1 18.3 -0.9 -18.3 96 104 A I H X S+ 0 0 6 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.940 113.1 48.2 -58.8 -45.0 16.4 -2.6 -15.4 97 105 A K H X S+ 0 0 12 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.911 111.5 48.8 -62.9 -43.8 16.5 0.8 -13.6 98 106 A S H X S+ 0 0 4 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.915 113.1 47.3 -63.6 -43.2 15.4 2.7 -16.7 99 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.931 112.9 48.3 -64.6 -44.5 12.4 0.3 -17.3 100 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.931 112.2 49.7 -61.5 -44.0 11.4 0.4 -13.6 101 109 A F H X S+ 0 0 54 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.935 112.8 46.3 -59.6 -45.8 11.5 4.2 -13.6 102 110 A Q H X S+ 0 0 10 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.888 111.9 50.6 -64.7 -42.6 9.4 4.5 -16.8 103 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.901 109.1 51.8 -64.2 -38.6 6.9 1.9 -15.5 104 112 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.861 107.6 52.7 -64.0 -34.7 6.6 3.9 -12.2 105 113 A Q H X S+ 0 0 63 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.928 110.3 48.5 -64.8 -43.0 5.9 7.1 -14.3 106 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.921 114.0 45.4 -57.8 -48.7 3.1 5.2 -16.2 107 115 A L H X S+ 0 0 0 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.910 109.8 54.1 -64.1 -44.7 1.6 4.0 -12.9 108 116 A A H X S+ 0 0 22 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.919 111.3 47.4 -58.9 -39.2 1.9 7.5 -11.2 109 117 A F H X S+ 0 0 46 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.963 116.1 41.2 -64.1 -54.0 -0.0 8.9 -14.2 110 118 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-1.1 0.921 114.7 51.8 -61.5 -44.7 -2.8 6.3 -14.2 111 119 A H H ><5S+ 0 0 14 -4,-3.2 3,-1.8 1,-0.3 -1,-0.2 0.855 103.0 59.2 -61.5 -33.0 -3.1 6.3 -10.4 112 120 A S H 3<5S+ 0 0 81 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.729 107.2 47.3 -66.6 -23.1 -3.4 10.1 -10.4 113 121 A H T <<5S- 0 0 106 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.203 121.9-112.0 -98.4 10.3 -6.5 9.6 -12.6 114 122 A R T < 5S+ 0 0 163 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.786 73.4 138.0 60.6 35.5 -7.8 6.9 -10.2 115 123 A V < - 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