==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 13-JUN-12 4FKJ . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY . 278 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14233.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 63.7 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 13.3 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 . 16 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 27.0 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 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 48 0, 0.0 3,-2.1 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 -17.9 -13.1 -4.3 -39.2 2 2 A E T 3 + 0 0 147 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.668 360.0 69.0 -64.8 -13.7 -13.1 -4.3 -43.0 3 3 A N T 3 S+ 0 0 60 20,-0.1 21,-3.1 21,-0.1 22,-0.4 0.407 93.8 72.9 -82.1 -1.2 -10.6 -1.4 -42.6 4 4 A F E < -A 23 0A 24 -3,-2.1 2,-0.5 19,-0.2 19,-0.2 -0.946 60.3-158.8-124.4 143.2 -7.9 -3.9 -41.2 5 5 A Q E -A 22 0A 120 17,-2.3 17,-2.5 -2,-0.4 2,-0.1 -0.975 26.8-129.8-114.3 113.9 -5.7 -6.6 -42.7 6 6 A K E +A 21 0A 131 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.445 27.7 177.5 -64.3 137.6 -4.5 -9.2 -40.2 7 7 A V E - 0 0 74 13,-3.1 2,-0.3 1,-0.5 14,-0.2 0.713 60.1 -21.6-110.1 -45.4 -0.7 -9.7 -40.4 8 8 A E E -A 20 0A 111 12,-1.3 12,-3.3 3,-0.0 2,-0.6 -0.952 65.8 -99.1-165.3 155.6 0.2 -12.2 -37.7 9 9 A K E -A 19 0A 99 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.772 27.4-169.8 -84.1 120.2 -1.3 -13.5 -34.4 10 10 A I E - 0 0 68 8,-2.3 2,-0.3 -2,-0.6 9,-0.2 0.917 55.1 -83.2 -73.3 -47.1 0.5 -11.7 -31.5 11 11 A G E -A 18 0A 26 7,-1.7 7,-2.9 -3,-0.1 2,-0.6 -0.977 45.3 -64.8 169.3-166.0 -1.0 -14.0 -29.0 12 12 A E E -A 17 0A 149 -2,-0.3 5,-0.2 5,-0.2 -3,-0.0 -0.951 47.4-164.5-119.0 107.7 -4.0 -14.9 -26.8 13 13 A G - 0 0 36 3,-2.4 5,-0.0 -2,-0.6 4,-0.0 0.108 39.1 -91.5 -74.6-168.3 -4.9 -12.4 -24.1 14 14 A T S S+ 0 0 62 1,-0.1 3,-0.1 3,-0.0 -1,-0.1 0.864 126.3 31.6 -74.2 -39.0 -7.1 -12.8 -21.0 15 15 A Y S S- 0 0 98 1,-0.2 2,-0.3 20,-0.0 -1,-0.1 0.835 128.4 -51.1 -90.3 -38.5 -10.1 -11.5 -23.0 16 16 A G S S- 0 0 21 19,-0.2 -3,-2.4 -5,-0.0 -1,-0.2 -0.937 76.7 -32.3-175.6-165.6 -9.4 -12.7 -26.5 17 17 A V E -A 12 0A 24 17,-0.3 17,-2.5 -2,-0.3 2,-0.5 -0.437 43.9-150.7 -76.1 142.7 -7.0 -13.0 -29.5 18 18 A V E -AB 11 33A 24 -7,-2.9 -8,-2.3 15,-0.2 -7,-1.7 -0.981 16.4-174.0-116.6 125.1 -4.5 -10.2 -30.3 19 19 A Y E -AB 9 32A 60 13,-2.3 13,-3.2 -2,-0.5 2,-0.4 -0.927 27.8-129.4-117.3 147.3 -3.4 -9.7 -33.9 20 20 A K E +AB 8 31A 35 -12,-3.3 -13,-3.1 -2,-0.4 -12,-1.3 -0.770 47.0 173.7 -84.0 135.9 -0.9 -7.4 -35.5 21 21 A A E -AB 6 30A 0 9,-2.7 9,-2.8 -2,-0.4 2,-0.5 -0.962 33.2-126.6-147.0 160.6 -2.8 -5.7 -38.3 22 22 A R E -AB 5 29A 110 -17,-2.5 -17,-2.3 -2,-0.3 2,-0.6 -0.956 22.0-132.0-111.5 128.3 -2.6 -3.0 -41.0 23 23 A N E > -A 4 0A 25 5,-3.4 4,-2.3 -2,-0.5 -19,-0.2 -0.705 17.2-148.3 -78.1 113.3 -5.2 -0.1 -41.2 24 24 A K T 4 S+ 0 0 127 -21,-3.1 -1,-0.1 -2,-0.6 -20,-0.1 0.649 90.7 43.1 -58.5 -23.7 -6.1 -0.1 -44.9 25 25 A L T 4 S+ 0 0 143 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.858 125.6 26.0 -92.7 -45.1 -6.8 3.7 -45.0 26 26 A T T 4 S- 0 0 99 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.622 94.7-126.2 -93.3 -20.3 -3.9 5.2 -43.0 27 27 A G < + 0 0 37 -4,-2.3 -3,-0.1 1,-0.3 2,-0.0 0.379 56.9 155.9 82.5 0.9 -1.3 2.4 -43.6 28 28 A E - 0 0 85 -5,-0.2 -5,-3.4 -6,-0.1 2,-0.5 -0.286 40.1-140.7 -62.2 136.8 -1.0 2.3 -39.7 29 29 A V E +B 22 0A 50 -7,-0.2 45,-0.6 -3,-0.1 2,-0.3 -0.891 36.3 164.4-100.7 126.4 0.3 -1.0 -38.1 30 30 A V E -BC 21 73A 0 -9,-2.8 -9,-2.7 -2,-0.5 2,-0.5 -0.836 42.0-111.2-134.4 172.9 -1.6 -1.6 -34.9 31 31 A A E -BC 20 72A 11 41,-2.6 41,-3.1 -2,-0.3 2,-0.5 -0.960 32.5-157.3-109.4 129.1 -2.4 -4.4 -32.4 32 32 A L E -BC 19 71A 5 -13,-3.2 -13,-2.3 -2,-0.5 2,-0.5 -0.942 4.1-162.8-114.7 116.5 -6.1 -5.5 -32.6 33 33 A K E -BC 18 70A 2 37,-2.9 37,-2.7 -2,-0.5 2,-0.6 -0.859 6.5-154.0 -99.3 124.0 -7.7 -7.1 -29.5 34 34 A K E C 0 69A 82 -17,-2.5 -17,-0.3 -2,-0.5 35,-0.2 -0.902 360.0 360.0 -98.6 114.9 -11.0 -9.0 -30.2 35 35 A I 0 0 71 33,-3.6 33,-1.3 -2,-0.6 -19,-0.2 -0.784 360.0 360.0 -91.0 360.0 -13.0 -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 45 A P >> 0 0 134 0, 0.0 4,-1.3 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 141.7 -22.5 -4.5 -21.8 38 46 A S H 3> + 0 0 79 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.782 360.0 59.6 -62.0 -34.7 -22.9 -0.7 -21.9 39 47 A T H 3> S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.832 104.8 52.0 -65.9 -32.2 -20.9 -0.0 -18.7 40 48 A A H <> S+ 0 0 15 -3,-0.6 4,-2.6 2,-0.2 5,-0.3 0.914 107.0 52.9 -67.0 -44.0 -17.9 -1.7 -20.4 41 49 A I H X S+ 0 0 50 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.930 112.7 44.1 -57.4 -47.7 -18.4 0.6 -23.5 42 50 A R H X S+ 0 0 158 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.898 114.9 47.2 -66.3 -42.7 -18.3 3.7 -21.2 43 51 A E H X S+ 0 0 43 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.897 113.7 48.3 -66.9 -40.7 -15.3 2.6 -19.1 44 52 A I H >X S+ 0 0 8 -4,-2.6 4,-0.8 1,-0.2 3,-0.6 0.922 108.2 55.0 -65.5 -41.7 -13.3 1.6 -22.2 45 53 A S H >< S+ 0 0 40 -4,-2.3 3,-0.6 -5,-0.3 4,-0.3 0.835 103.3 55.7 -60.0 -33.8 -14.1 5.0 -23.8 46 54 A L H >< S+ 0 0 114 -4,-1.5 3,-1.3 1,-0.2 4,-0.4 0.829 99.9 61.1 -67.9 -30.3 -12.7 6.8 -20.7 47 55 A L H X< S+ 0 0 11 -4,-1.1 3,-1.0 -3,-0.6 11,-0.3 0.777 89.6 69.2 -69.3 -22.7 -9.4 4.8 -21.2 48 56 A K T << S+ 0 0 66 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.689 101.2 47.8 -64.7 -22.8 -9.0 6.5 -24.7 49 57 A E T < S+ 0 0 149 -3,-1.3 2,-1.8 -4,-0.3 -1,-0.3 0.529 85.5 93.0 -94.6 -11.0 -8.3 9.8 -22.8 50 58 A L < + 0 0 17 -3,-1.0 2,-0.5 -4,-0.4 8,-0.1 -0.555 60.9 166.8 -85.9 72.5 -5.8 8.2 -20.4 51 59 A N + 0 0 70 -2,-1.8 5,-0.1 6,-0.1 -3,-0.0 -0.793 7.2 145.2 -98.9 128.5 -2.7 9.1 -22.5 52 60 A H > - 0 0 44 -2,-0.5 3,-2.0 3,-0.4 54,-0.0 -0.980 55.7-114.0-154.0 150.7 0.8 9.0 -21.3 53 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.696 118.1 50.0 -64.1 -18.1 4.2 8.1 -23.0 54 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.143 97.6 81.6-105.4 18.9 4.5 5.0 -20.8 55 63 A I B < S-e 135 0B 11 -3,-2.0 -3,-0.4 79,-0.3 2,-0.2 -0.991 89.1-115.2-123.1 127.2 1.0 3.8 -21.5 56 64 A V - 0 0 9 79,-2.7 2,-0.2 -2,-0.4 82,-0.2 -0.440 44.7-110.8 -61.5 124.3 0.3 1.8 -24.7 57 65 A K - 0 0 91 -2,-0.2 16,-2.4 -4,-0.1 2,-0.9 -0.411 16.5-144.2 -67.5 129.7 -2.1 4.1 -26.6 58 66 A L E -D 72 0A 12 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.830 22.7-180.0 -89.2 104.4 -5.7 3.0 -27.1 59 67 A L E - 0 0 35 12,-2.3 2,-0.3 -2,-0.9 13,-0.2 0.893 57.2 -9.9 -76.2 -42.5 -6.3 4.3 -30.6 60 68 A D E -D 71 0A 89 11,-1.6 11,-2.9 2,-0.0 2,-0.4 -0.994 47.4-141.4-160.3 156.3 -10.0 3.2 -31.0 61 69 A V E -D 70 0A 25 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.994 22.2-170.2-121.2 123.0 -12.8 1.2 -29.6 62 70 A I E -D 69 0A 43 7,-3.0 7,-3.2 -2,-0.4 2,-0.6 -0.962 5.1-173.0-122.2 114.1 -15.0 -0.6 -32.2 63 71 A H E +D 68 0A 109 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.940 23.5 147.2-109.7 113.5 -18.3 -2.3 -31.1 64 72 A T E > -D 67 0A 68 3,-2.1 3,-2.2 -2,-0.6 -2,-0.1 -0.980 63.1 -3.8-147.3 140.1 -20.0 -4.3 -33.9 65 73 A E T 3 S- 0 0 96 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.820 124.6 -59.1 43.1 48.4 -22.1 -7.6 -34.0 66 74 A N T 3 S+ 0 0 99 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.389 116.7 113.9 64.7 0.6 -21.8 -8.1 -30.2 67 75 A K E < - D 0 64A 91 -3,-2.2 -3,-2.1 2,-0.0 2,-0.5 -0.745 56.8-149.8 -97.6 143.3 -17.9 -8.3 -30.7 68 76 A L E - D 0 63A 20 -33,-1.3 -33,-3.6 -2,-0.3 2,-0.5 -0.981 9.7-165.4-117.0 128.4 -15.7 -5.6 -29.2 69 77 A Y E -CD 34 62A 32 -7,-3.2 -7,-3.0 -2,-0.5 2,-0.5 -0.968 3.9-161.5-116.3 129.4 -12.5 -4.6 -30.9 70 78 A L E -CD 33 61A 0 -37,-2.7 -37,-2.9 -2,-0.5 2,-0.6 -0.930 7.5-154.3-110.4 125.6 -9.8 -2.6 -29.2 71 79 A V E +CD 32 60A 3 -11,-2.9 -12,-2.3 -2,-0.5 -11,-1.6 -0.925 21.7 179.4-102.9 118.9 -7.2 -0.9 -31.5 72 80 A F E -CD 31 58A 19 -41,-3.1 -41,-2.6 -2,-0.6 -14,-0.2 -0.832 36.6 -94.1-118.7 158.6 -3.9 -0.3 -29.8 73 81 A E E -C 30 0A 50 -16,-2.4 2,-0.4 -2,-0.3 -43,-0.2 -0.353 48.9-125.5 -57.8 143.1 -0.5 1.2 -30.7 74 82 A F - 0 0 39 -45,-0.6 2,-0.3 -44,-0.0 -45,-0.1 -0.863 26.8-176.3-102.1 136.4 1.9 -1.7 -31.7 75 83 A L - 0 0 13 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.953 26.5-131.0-124.4 148.5 5.2 -2.4 -30.1 76 84 A H S S+ 0 0 109 -2,-0.3 2,-0.3 51,-0.2 52,-0.1 0.661 79.4 26.8 -76.5 -21.4 7.6 -5.1 -31.3 77 85 A Q E -F 127 0B 36 50,-1.2 50,-2.6 203,-0.1 2,-0.3 -0.971 60.3-143.1-141.8 153.6 8.5 -6.9 -28.1 78 86 A D E > -F 126 0B 21 -2,-0.3 4,-2.0 48,-0.3 48,-0.3 -0.791 31.5-115.0-111.3 161.8 7.1 -7.6 -24.6 79 87 A L H > S+ 0 0 0 46,-2.9 4,-2.8 43,-1.0 44,-0.2 0.787 111.9 61.2 -67.9 -27.8 9.3 -7.8 -21.4 80 88 A K H > S+ 0 0 89 42,-0.8 4,-2.3 45,-0.3 -1,-0.2 0.961 109.3 40.9 -63.2 -47.9 8.6 -11.5 -20.9 81 89 A K H > S+ 0 0 103 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.911 115.3 52.7 -66.1 -37.8 10.2 -12.4 -24.2 82 90 A F H X S+ 0 0 9 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.891 109.3 48.6 -64.1 -41.6 13.0 -9.9 -23.5 83 91 A M H < S+ 0 0 19 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.908 112.1 49.0 -66.6 -38.7 13.7 -11.4 -20.1 84 92 A D H >< S+ 0 0 98 -4,-2.3 3,-1.4 1,-0.2 4,-0.2 0.930 112.1 48.6 -62.5 -46.8 13.8 -14.9 -21.7 85 93 A A H 3< S+ 0 0 82 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.752 114.9 46.0 -62.2 -29.3 16.2 -13.6 -24.5 86 94 A S T 3X S+ 0 0 16 -4,-1.6 4,-3.1 -5,-0.2 -1,-0.3 0.158 80.8 109.5 -98.7 12.4 18.4 -12.0 -21.7 87 95 A A T <4 S+ 0 0 49 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.857 75.9 48.9 -59.2 -41.7 18.4 -15.1 -19.4 88 96 A L T 4 S+ 0 0 168 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.856 128.9 20.2 -68.4 -36.3 22.1 -16.1 -20.0 89 97 A T T 4 S- 0 0 114 -3,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.699 102.8-127.0-105.0 -29.5 23.6 -12.6 -19.4 90 98 A G < - 0 0 12 -4,-3.1 -3,-0.1 -7,-0.2 89,-0.1 0.242 34.5 -73.8 84.4 146.7 20.8 -10.7 -17.4 91 99 A I - 0 0 13 87,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.589 62.8-102.9 -67.9 127.9 19.3 -7.4 -18.2 92 100 A P >> - 0 0 81 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.328 27.0-120.3 -56.0 139.6 22.0 -4.7 -17.4 93 101 A L H 3> S+ 0 0 69 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.849 111.8 55.9 -50.2 -43.7 21.2 -2.9 -14.1 94 102 A P H 3> S+ 0 0 69 0, 0.0 4,-2.0 0, 0.0 178,-0.4 0.866 110.5 46.3 -61.6 -31.1 21.0 0.6 -15.8 95 103 A L H <> S+ 0 0 7 -3,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.886 111.7 50.2 -73.6 -42.4 18.3 -0.8 -18.2 96 104 A I H X S+ 0 0 6 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.943 112.7 48.4 -56.3 -47.1 16.4 -2.4 -15.3 97 105 A K H X S+ 0 0 12 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.914 111.5 48.8 -62.8 -43.2 16.5 0.9 -13.4 98 106 A S H X S+ 0 0 4 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.915 113.0 47.7 -62.3 -44.5 15.3 2.9 -16.5 99 107 A Y H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.933 112.8 47.5 -65.9 -44.3 12.4 0.4 -17.1 100 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.927 112.9 50.1 -61.1 -44.0 11.4 0.5 -13.4 101 109 A F H X S+ 0 0 54 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.938 113.0 45.8 -58.0 -48.2 11.5 4.4 -13.4 102 110 A Q H X S+ 0 0 12 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.892 112.3 50.3 -64.8 -42.1 9.4 4.6 -16.6 103 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.895 109.5 51.7 -64.3 -38.3 6.8 2.1 -15.3 104 112 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.864 107.8 52.6 -64.3 -36.0 6.6 4.0 -12.0 105 113 A Q H X S+ 0 0 65 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.938 110.7 47.2 -63.1 -44.3 6.0 7.2 -14.1 106 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.924 114.4 46.8 -61.5 -45.0 3.1 5.4 -16.0 107 115 A L H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.927 108.7 54.0 -65.1 -45.9 1.7 4.1 -12.7 108 116 A A H X S+ 0 0 22 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.913 111.4 48.0 -54.9 -41.2 1.9 7.6 -11.0 109 117 A F H X S+ 0 0 46 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.969 115.8 40.6 -61.6 -57.8 -0.1 9.0 -14.0 110 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 3,-1.2 0.921 115.3 51.9 -59.5 -45.2 -2.9 6.4 -14.0 111 119 A H H ><5S+ 0 0 26 -4,-3.2 3,-1.7 1,-0.3 -1,-0.2 0.851 103.0 58.6 -60.7 -33.9 -3.1 6.3 -10.2 112 120 A S H 3<5S+ 0 0 72 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.713 108.1 47.4 -65.9 -21.8 -3.4 10.1 -10.1 113 121 A H T <<5S- 0 0 86 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.186 121.7-112.3 -99.8 9.0 -6.6 9.6 -12.3 114 122 A R T < 5S+ 0 0 193 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.813 72.8 139.0 61.8 34.8 -7.8 6.8 -9.9 115 123 A V < - 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