==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 01-MAR-11 3QX2 . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,H.HAN,A.BECKER,E.SCHONBRUNN . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14925.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 61.9 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 . 40 13.6 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 . 18 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 25.9 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 3 1 0 1 0 1 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 . 1 1 1 0 1 2 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 84 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.6 92.4 28.8 76.5 2 2 A E + 0 0 156 1,-0.1 22,-0.0 3,-0.0 0, 0.0 0.939 360.0 6.8 -80.7 -86.1 93.6 31.9 78.4 3 3 A N S S+ 0 0 66 20,-0.0 21,-2.3 2,-0.0 22,-0.5 0.078 115.1 91.3 -88.6 24.0 90.9 34.5 78.8 4 4 A F E -A 23 0A 40 19,-0.2 2,-0.6 20,-0.1 19,-0.2 -0.967 59.1-156.6-128.2 123.6 88.2 32.3 77.3 5 5 A Q E -A 22 0A 88 17,-2.4 17,-2.4 -2,-0.5 2,-0.3 -0.846 28.8-127.3 -94.3 121.0 85.9 29.9 79.0 6 6 A K E +A 21 0A 100 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.536 30.4 176.4 -70.3 127.0 84.7 27.3 76.5 7 7 A V E - 0 0 54 13,-2.8 2,-0.3 1,-0.4 14,-0.2 0.869 61.3 -23.1 -95.4 -50.9 81.0 27.0 76.5 8 8 A E E -A 20 0A 128 12,-1.5 12,-3.2 3,-0.0 2,-0.6 -0.988 59.5-105.1-158.3 159.6 80.4 24.4 73.7 9 9 A K E -A 19 0A 126 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.813 26.5-169.7 -89.8 123.9 82.0 22.9 70.7 10 10 A I E - 0 0 76 8,-2.6 2,-0.3 -2,-0.6 9,-0.2 0.767 54.8 -74.5 -84.2 -27.9 80.2 24.3 67.6 11 11 A G E -A 18 0A 26 7,-1.4 7,-2.3 -3,-0.1 2,-0.9 -0.959 49.6 -63.3 159.2-176.8 81.9 21.9 65.3 12 12 A E E -A 17 0A 94 -2,-0.3 5,-0.2 5,-0.2 145,-0.1 -0.825 59.1-152.3-104.9 89.9 84.9 20.6 63.4 13 13 A G - 0 0 22 3,-1.6 143,-0.4 -2,-0.9 144,-0.3 0.315 27.7-101.7 -51.3-175.6 85.6 23.5 61.0 14 14 A T S S+ 0 0 37 141,-0.2 142,-0.2 1,-0.1 -1,-0.1 0.758 124.7 24.3 -82.3 -27.0 87.2 23.4 57.6 15 15 A Y S S- 0 0 45 1,-0.3 21,-1.1 140,-0.1 2,-0.3 0.709 132.7 -43.1-106.8 -32.6 90.5 24.7 59.1 16 16 A G S S- 0 0 5 19,-0.2 -3,-1.6 20,-0.1 -1,-0.3 -0.977 78.4 -36.9-176.3-172.2 90.0 23.6 62.7 17 17 A V E -A 12 0A 24 17,-0.5 17,-2.9 -2,-0.3 2,-0.4 -0.398 47.5-156.7 -69.4 142.5 87.9 23.2 65.9 18 18 A V E -AB 11 33A 15 -7,-2.3 -8,-2.6 15,-0.2 -7,-1.4 -0.988 10.4-173.9-124.7 129.9 85.4 25.9 66.6 19 19 A Y E -AB 9 32A 39 13,-2.7 13,-3.2 -2,-0.4 2,-0.5 -0.892 28.5-128.2-121.5 151.5 84.0 26.6 70.1 20 20 A K E +AB 8 31A 42 -12,-3.2 -13,-2.8 -2,-0.3 -12,-1.5 -0.834 48.5 173.5 -87.8 134.4 81.4 29.0 71.5 21 21 A A E -AB 6 30A 0 9,-2.6 9,-2.8 -2,-0.5 2,-0.5 -0.973 31.7-132.0-146.4 159.9 83.3 30.8 74.2 22 22 A R E -AB 5 29A 80 -17,-2.4 -17,-2.4 -2,-0.3 2,-0.7 -0.958 24.2-124.4-119.9 126.2 83.0 33.6 76.7 23 23 A N E > -A 4 0A 24 5,-3.0 4,-3.3 -2,-0.5 -19,-0.2 -0.558 18.7-149.8 -67.2 110.2 85.6 36.3 77.2 24 24 A K T 4 S+ 0 0 134 -21,-2.3 -1,-0.2 -2,-0.7 -20,-0.1 0.742 94.0 42.2 -54.5 -24.8 86.3 36.0 81.0 25 25 A L T 4 S+ 0 0 133 -22,-0.5 -1,-0.2 3,-0.1 -21,-0.1 0.866 127.7 23.9 -92.7 -42.3 87.1 39.7 81.0 26 26 A T T 4 S- 0 0 95 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.669 90.5-135.1 -96.5 -21.5 84.4 41.3 78.8 27 27 A G < + 0 0 41 -4,-3.3 -3,-0.1 1,-0.3 2,-0.1 0.472 54.0 147.2 79.2 0.0 81.8 38.6 79.2 28 28 A E - 0 0 87 -5,-0.2 -5,-3.0 -6,-0.1 2,-0.5 -0.428 46.1-132.9 -70.5 144.9 81.2 38.8 75.5 29 29 A V E +B 22 0A 53 -7,-0.2 50,-0.6 -3,-0.1 2,-0.2 -0.884 37.1 163.3-101.7 128.3 80.2 35.5 73.8 30 30 A V E -BC 21 78A 0 -9,-2.8 -9,-2.6 -2,-0.5 2,-0.5 -0.784 42.1-106.1-136.1 176.2 82.1 34.7 70.7 31 31 A A E -BC 20 77A 11 46,-2.5 46,-3.0 -2,-0.2 2,-0.5 -0.947 34.1-160.4-107.6 128.7 83.1 31.9 68.2 32 32 A L E -BC 19 76A 2 -13,-3.2 -13,-2.7 -2,-0.5 2,-0.5 -0.953 3.2-164.2-116.9 119.3 86.7 30.8 68.6 33 33 A K E -BC 18 75A 27 42,-2.8 42,-2.1 -2,-0.5 2,-0.7 -0.890 7.8-154.2-105.2 132.0 88.4 29.0 65.8 34 34 A K E - C 0 74A 36 -17,-2.9 -17,-0.5 -2,-0.5 2,-0.3 -0.919 19.2-152.8-105.2 110.4 91.6 27.1 66.4 35 35 A I E C 0 73A 10 38,-3.8 38,-1.3 -2,-0.7 -19,-0.2 -0.648 360.0 360.0 -89.2 143.3 93.5 26.9 63.0 36 36 A R 0 0 182 -21,-1.1 3,-0.1 -2,-0.3 -1,-0.1 -0.121 360.0 360.0 -43.0 360.0 95.9 24.1 62.1 37 ! 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 38 41 A T 0 0 77 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -55.5 100.7 23.5 61.3 39 42 A E - 0 0 176 -3,-0.1 33,-0.1 33,-0.0 32,-0.1 -0.348 360.0 -11.6-141.7 56.0 104.4 24.1 62.3 40 43 A G S S- 0 0 35 31,-0.3 31,-0.2 2,-0.1 32,-0.1 -0.136 83.1-128.0 147.3 -46.2 105.0 27.8 62.1 41 44 A V - 0 0 22 -5,-0.1 5,-0.1 30,-0.1 30,-0.1 0.876 31.8 -96.2 67.0 107.4 102.1 29.5 60.2 42 45 A P > - 0 0 89 0, 0.0 4,-1.1 0, 0.0 -2,-0.1 -0.161 21.5-141.0 -51.9 139.1 103.0 31.7 57.2 43 46 A S H > S+ 0 0 58 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.778 100.1 65.3 -74.5 -27.8 103.2 35.4 58.0 44 47 A T H > S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.925 101.7 50.5 -58.8 -42.9 101.6 36.3 54.6 45 48 A A H > S+ 0 0 3 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.896 109.2 52.3 -60.9 -40.7 98.5 34.6 56.0 46 49 A I H X S+ 0 0 46 -4,-1.1 4,-3.0 2,-0.2 -2,-0.2 0.965 111.5 44.0 -60.7 -53.7 98.8 36.7 59.1 47 50 A R H X S+ 0 0 148 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.907 117.5 46.9 -58.2 -43.6 99.0 40.0 57.3 48 51 A E H X S+ 0 0 55 -4,-2.7 4,-0.8 -5,-0.2 -2,-0.2 0.916 113.9 45.3 -66.1 -46.2 96.2 39.0 55.0 49 52 A I H >< S+ 0 0 0 -4,-3.2 3,-1.6 1,-0.2 4,-0.5 0.953 109.4 56.1 -63.5 -47.6 93.9 37.7 57.7 50 53 A S H >< S+ 0 0 43 -4,-3.0 3,-1.4 -5,-0.3 4,-0.2 0.835 99.7 61.3 -53.1 -34.3 94.6 40.8 59.8 51 54 A L H >< S+ 0 0 117 -4,-1.3 3,-1.7 1,-0.3 -1,-0.3 0.829 92.8 65.2 -63.1 -31.3 93.4 42.9 56.9 52 55 A L G X< S+ 0 0 22 -3,-1.6 3,-1.0 -4,-0.8 11,-0.3 0.649 80.7 78.9 -67.0 -15.3 90.0 41.3 57.1 53 56 A K G < S+ 0 0 60 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.727 94.3 50.6 -64.0 -19.6 89.5 42.9 60.6 54 57 A E G < S+ 0 0 123 -3,-1.7 2,-2.2 -4,-0.2 -1,-0.3 0.578 82.4 96.3 -92.5 -12.3 88.7 46.0 58.6 55 58 A L < + 0 0 17 -3,-1.0 2,-0.5 -4,-0.3 8,-0.2 -0.496 58.1 164.8 -79.9 75.2 86.1 44.3 56.3 56 59 A N + 0 0 75 -2,-2.2 5,-0.1 6,-0.1 -3,-0.0 -0.830 5.0 141.7-104.0 126.3 83.1 45.3 58.4 57 60 A H > - 0 0 41 -2,-0.5 3,-2.2 3,-0.4 54,-0.0 -0.982 57.0-113.1-156.0 147.6 79.5 45.1 57.2 58 61 A P T 3 S+ 0 0 87 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.722 118.3 47.1 -58.5 -22.6 76.2 44.2 58.8 59 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.119 98.7 81.3-106.6 23.4 75.9 41.1 56.6 60 63 A I B < S-e 140 0B 10 -3,-2.2 -3,-0.4 79,-0.3 2,-0.2 -0.996 87.5-115.9-126.2 125.1 79.5 39.9 57.2 61 64 A V - 0 0 9 79,-2.7 2,-0.2 -2,-0.4 81,-0.2 -0.437 42.8-115.1 -59.4 123.2 80.3 38.0 60.4 62 65 A K - 0 0 100 -2,-0.2 16,-2.4 -4,-0.1 2,-0.8 -0.430 14.4-141.6 -71.9 132.1 82.8 40.3 62.2 63 66 A L E -D 77 0A 9 -11,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.825 21.6-178.4 -88.9 111.3 86.3 39.1 62.7 64 67 A L E - 0 0 34 12,-2.7 2,-0.3 -2,-0.8 13,-0.2 0.853 58.2 -9.4 -82.5 -37.6 87.1 40.4 66.2 65 68 A D E -D 76 0A 85 11,-1.5 11,-2.8 2,-0.0 2,-0.5 -0.993 46.4-147.4-162.2 155.6 90.7 39.3 66.6 66 69 A V E -D 75 0A 27 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.984 22.4-176.1-128.5 114.5 93.5 37.3 65.1 67 70 A I E -D 74 0A 63 7,-2.6 7,-3.3 -2,-0.5 2,-0.5 -0.958 8.0-170.1-119.5 121.6 96.0 35.7 67.5 68 71 A H E +D 73 0A 70 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.939 28.1 137.1-110.8 121.0 99.0 33.7 66.5 69 72 A T E > +D 72 0A 58 3,-2.8 3,-3.4 -2,-0.5 -2,-0.1 -0.981 58.7 6.4-159.7 152.5 100.8 31.8 69.3 70 73 A E T 3 S- 0 0 162 1,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.831 126.1 -57.7 37.6 52.0 102.5 28.4 70.0 71 74 A N T 3 S+ 0 0 92 1,-0.2 2,-0.3 -31,-0.2 -1,-0.3 0.534 118.9 111.5 61.7 5.5 102.1 27.3 66.4 72 75 A K E < - D 0 69A 91 -3,-3.4 -3,-2.8 -36,-0.1 2,-0.5 -0.842 55.0-155.3-110.4 147.1 98.4 27.8 66.8 73 76 A L E -CD 35 68A 1 -38,-1.3 -38,-3.8 -2,-0.3 2,-0.4 -0.990 11.7-165.5-121.8 124.4 96.3 30.5 65.0 74 77 A Y E -CD 34 67A 44 -7,-3.3 -7,-2.6 -2,-0.5 2,-0.5 -0.920 4.9-163.8-113.0 138.0 93.1 31.6 66.7 75 78 A L E -CD 33 66A 0 -42,-2.1 -42,-2.8 -2,-0.4 2,-0.6 -0.975 7.3-155.3-119.9 130.0 90.4 33.6 65.0 76 79 A V E -CD 32 65A 5 -11,-2.8 -12,-2.7 -2,-0.5 -11,-1.5 -0.937 19.3-178.9-109.3 123.7 87.8 35.3 67.2 77 80 A F E -CD 31 63A 9 -46,-3.0 -46,-2.5 -2,-0.6 -14,-0.2 -0.862 36.5 -94.7-122.9 155.9 84.4 36.0 65.5 78 81 A E E -C 30 0A 52 -16,-2.4 2,-0.4 -2,-0.3 -48,-0.2 -0.363 51.2-122.5 -57.9 142.2 81.1 37.5 66.4 79 82 A F - 0 0 40 -50,-0.6 2,-0.4 -49,-0.0 -50,-0.1 -0.805 29.6-178.5 -99.1 135.3 78.8 34.7 67.5 80 83 A L - 0 0 15 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.969 27.9-130.5-126.6 146.5 75.4 33.9 65.8 81 84 A H S S+ 0 0 107 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.643 78.6 22.7 -75.3 -17.4 73.2 31.1 67.1 82 85 A Q E -F 132 0B 40 50,-1.2 50,-2.7 211,-0.0 2,-0.3 -0.990 59.7-139.7-150.4 156.7 72.4 29.2 63.9 83 86 A D E > -F 131 0B 17 -2,-0.3 4,-2.0 48,-0.3 48,-0.2 -0.804 31.0-114.9-113.6 159.3 73.6 28.5 60.4 84 87 A L H > S+ 0 0 0 46,-3.0 4,-2.9 43,-0.9 44,-0.2 0.775 111.2 61.1 -64.5 -29.0 71.5 28.2 57.2 85 88 A K H > S+ 0 0 90 42,-0.8 4,-2.3 45,-0.3 -1,-0.2 0.973 109.4 41.7 -63.1 -50.7 72.2 24.6 56.7 86 89 A K H > S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.894 115.0 52.5 -61.8 -38.3 70.6 23.6 60.0 87 90 A F H X S+ 0 0 10 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.897 109.0 48.9 -65.4 -41.5 67.8 26.1 59.4 88 91 A M H >< S+ 0 0 18 -4,-2.9 3,-0.6 2,-0.2 4,-0.3 0.913 110.9 50.3 -66.3 -39.6 67.0 24.6 56.0 89 92 A D H >< S+ 0 0 99 -4,-2.3 3,-1.0 1,-0.2 4,-0.3 0.911 111.5 48.9 -62.5 -41.3 67.0 21.1 57.4 90 93 A A H 3< S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.625 115.3 44.5 -72.0 -14.9 64.6 22.3 60.1 91 94 A S T > - 0 0 81 0, 0.0 4,-2.1 0, 0.0 3,-1.1 -0.285 26.0-119.9 -55.6 140.4 58.6 31.1 53.2 98 101 A L H 3> S+ 0 0 67 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.859 111.9 58.5 -52.9 -40.3 59.4 33.0 49.9 99 102 A P H 3> S+ 0 0 69 0, 0.0 4,-2.0 0, 0.0 188,-0.4 0.878 110.1 44.2 -58.7 -33.4 59.5 36.4 51.6 100 103 A L H <> S+ 0 0 7 -3,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.867 111.4 52.0 -79.4 -35.5 62.3 35.1 53.9 101 104 A I H X S+ 0 0 5 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.940 112.7 47.2 -62.7 -44.2 64.2 33.4 51.1 102 105 A K H X S+ 0 0 13 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.909 111.8 49.6 -65.2 -42.1 64.0 36.8 49.2 103 106 A S H X S+ 0 0 4 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.943 113.1 47.1 -62.3 -45.2 65.1 38.7 52.3 104 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.943 112.9 47.9 -63.2 -47.5 68.1 36.3 52.9 105 108 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.917 111.8 50.9 -59.6 -43.0 69.1 36.4 49.3 106 109 A F H X S+ 0 0 55 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.923 112.4 45.8 -60.7 -44.7 68.9 40.2 49.2 107 110 A Q H X S+ 0 0 12 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.887 111.5 51.8 -66.5 -40.6 71.1 40.6 52.4 108 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.900 108.6 51.4 -63.4 -40.6 73.6 38.0 51.1 109 112 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.867 107.8 52.8 -64.6 -35.9 73.9 40.0 47.8 110 113 A Q H X S+ 0 0 63 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.932 110.4 48.2 -63.9 -43.7 74.5 43.2 49.9 111 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.928 113.6 46.2 -60.6 -46.5 77.3 41.4 51.7 112 115 A L H X S+ 0 0 0 -4,-2.7 4,-3.3 2,-0.2 5,-0.3 0.923 110.1 53.6 -63.6 -44.2 78.8 40.1 48.5 113 116 A A H X S+ 0 0 26 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.936 111.0 47.6 -57.2 -43.4 78.6 43.6 46.9 114 117 A F H X S+ 0 0 43 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.968 115.4 43.1 -62.5 -51.6 80.4 45.1 49.8 115 118 A C H ><>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 3,-1.1 0.941 114.4 50.4 -61.1 -46.2 83.2 42.5 49.9 116 119 A H H ><5S+ 0 0 28 -4,-3.3 3,-1.7 1,-0.3 -1,-0.2 0.848 104.7 56.5 -61.2 -36.4 83.6 42.5 46.1 117 120 A S H 3<5S+ 0 0 78 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.745 108.8 49.2 -67.1 -21.9 83.9 46.3 46.0 118 121 A H T <<5S- 0 0 92 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.134 121.7-110.1-101.0 16.5 86.8 45.9 48.4 119 122 A R T < 5S+ 0 0 209 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.813 74.2 134.6 59.0 37.5 88.4 43.2 46.2 120 123 A V < - 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