==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 17-MAY-11 3S2P . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.-H.KIM,J.LEE,S.JEONG . 279 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14277.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 62.0 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 . 15 5.4 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 . 73 26.2 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 0 1 0 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 44 0, 0.0 3,-1.6 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 -37.9 39.6 31.7 39.4 2 2 A E T 3 + 0 0 165 1,-0.3 3,-0.0 21,-0.1 21,-0.0 0.031 360.0 79.4 -72.2 30.3 39.4 31.3 43.2 3 3 A N T 3 S+ 0 0 72 -2,-0.7 21,-0.9 21,-0.1 22,-0.7 0.142 90.7 66.6-118.5 9.4 36.8 34.0 42.8 4 4 A F E < -A 23 0A 16 -3,-1.6 2,-0.4 19,-0.3 19,-0.2 -0.871 58.1-159.1-133.2 164.8 34.3 31.5 41.8 5 5 A Q E -A 22 0A 106 17,-0.8 17,-1.9 -2,-0.3 2,-0.4 -0.965 31.3-120.4-144.9 122.3 32.3 28.5 42.9 6 6 A K E -A 21 0A 104 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.507 20.9-170.4 -67.9 119.9 30.9 26.0 40.4 7 7 A V E - 0 0 57 13,-3.4 2,-0.2 -2,-0.4 14,-0.2 0.880 64.1 -48.0 -76.5 -41.1 27.1 25.9 40.8 8 8 A E E -A 20 0A 113 12,-1.2 12,-1.9 0, 0.0 -1,-0.3 -0.864 62.1 -78.7 172.5 153.9 26.8 22.9 38.5 9 9 A K E +A 19 0A 111 -2,-0.2 10,-0.2 10,-0.2 3,-0.1 -0.454 42.1 177.0 -65.9 135.4 27.9 21.4 35.1 10 10 A I E - 0 0 81 8,-2.2 2,-0.2 1,-0.3 9,-0.2 0.739 54.4 -32.3-111.9 -37.1 25.7 23.0 32.4 11 11 A G E -A 18 0A 24 7,-1.3 7,-2.4 2,-0.0 -1,-0.3 -0.847 52.1-107.6 176.5 145.2 27.0 21.6 29.2 12 12 A E E -A 17 0A 124 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.160 42.6-151.2 -68.8 174.9 30.0 20.3 27.3 13 13 A G - 0 0 33 3,-0.5 -1,-0.1 1,-0.1 4,-0.0 -0.870 30.1-102.3-144.0 177.1 31.4 22.5 24.6 14 14 A T S S+ 0 0 65 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.950 124.7 15.4 -64.0 -48.1 33.3 22.7 21.3 15 15 A Y S S- 0 0 65 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.421 133.3 -24.2-107.6 -3.9 36.5 23.7 23.2 16 16 A G S S- 0 0 15 2,-0.0 -3,-0.5 17,-0.0 2,-0.3 -0.994 76.0 -57.4 179.1-173.6 35.7 22.9 26.8 17 17 A V E -A 12 0A 26 17,-0.5 17,-1.9 -2,-0.3 2,-0.4 -0.738 45.3-141.0 -93.0 141.7 33.3 22.2 29.6 18 18 A V E -AB 11 33A 31 -7,-2.4 -8,-2.2 -2,-0.3 -7,-1.3 -0.881 19.1-170.6-106.9 133.9 30.8 25.0 30.6 19 19 A Y E -AB 9 32A 57 13,-2.7 13,-4.1 -2,-0.4 2,-0.5 -0.920 24.3-134.9-128.0 148.9 29.9 25.8 34.1 20 20 A K E +AB 8 31A 47 -12,-1.9 -13,-3.4 -2,-0.3 -12,-1.2 -0.853 42.7 171.2 -93.2 133.7 27.4 27.9 36.0 21 21 A A E -AB 6 30A 0 9,-2.7 9,-3.8 -2,-0.5 2,-0.5 -0.989 33.4-132.8-149.0 155.5 29.2 29.8 38.7 22 22 A R E -AB 5 29A 125 -17,-1.9 2,-1.5 -2,-0.3 -17,-0.8 -0.936 30.7-119.3-111.6 129.3 28.9 32.5 41.4 23 23 A N E > -A 4 0A 22 5,-3.0 4,-4.5 -2,-0.5 5,-0.3 -0.514 22.7-145.1 -68.2 92.5 31.5 35.2 41.7 24 24 A K T 4 S+ 0 0 124 -2,-1.5 -1,-0.2 -21,-0.9 -20,-0.2 0.643 97.4 40.4 -32.9 -24.7 32.5 34.4 45.3 25 25 A L T 4 S+ 0 0 154 -22,-0.7 -1,-0.2 3,-0.1 -21,-0.1 0.901 130.0 23.0 -94.1 -56.7 33.1 38.2 45.7 26 26 A T T 4 S- 0 0 85 -23,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.469 92.1-139.2 -89.3 -2.3 30.2 39.8 43.8 27 27 A G < + 0 0 23 -4,-4.5 -3,-0.2 1,-0.2 -1,-0.1 0.405 50.7 151.9 61.2 -6.7 28.1 36.7 44.2 28 28 A E - 0 0 89 -5,-0.3 -5,-3.0 -6,-0.2 2,-0.5 -0.138 48.0-116.6 -55.7 148.6 27.0 37.3 40.6 29 29 A V E +B 22 0A 57 -7,-0.2 46,-0.6 -3,-0.1 2,-0.3 -0.790 41.9 169.7 -94.7 125.9 26.0 34.3 38.5 30 30 A V E -BC 21 74A 0 -9,-3.8 -9,-2.7 -2,-0.5 2,-0.6 -0.837 38.5-116.9-132.7 168.4 28.1 33.6 35.4 31 31 A A E -BC 20 73A 17 42,-2.6 42,-2.5 -2,-0.3 2,-0.4 -0.936 34.4-154.1-105.7 115.3 28.8 31.0 32.7 32 32 A L E -BC 19 72A 4 -13,-4.1 -13,-2.7 -2,-0.6 2,-0.5 -0.756 6.9-163.9 -95.1 139.0 32.4 29.7 33.0 33 33 A K E -BC 18 71A 10 38,-1.5 38,-2.7 -2,-0.4 2,-0.6 -0.939 3.1-162.6-129.4 111.9 34.2 28.4 30.0 34 34 A K E C 0 70A 67 -17,-1.9 -17,-0.5 -2,-0.5 36,-0.2 -0.812 360.0 360.0 -93.9 117.6 37.3 26.3 30.4 35 35 A I 0 0 60 34,-3.2 -1,-0.2 -2,-0.6 35,-0.1 0.892 360.0 360.0 -91.8 360.0 39.4 26.0 27.2 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 74 0, 0.0 30,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 178.1 48.6 28.9 24.8 38 45 A P > - 0 0 80 0, 0.0 4,-1.8 0, 0.0 5,-0.1 -0.252 360.0-141.4 -54.5 138.0 49.2 30.8 21.6 39 46 A S H > S+ 0 0 63 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.801 100.5 62.7 -68.8 -29.9 49.4 34.6 22.1 40 47 A T H > S+ 0 0 92 2,-0.2 4,-3.9 1,-0.2 -1,-0.2 0.949 104.3 45.3 -60.4 -51.3 47.5 35.1 18.9 41 48 A A H > S+ 0 0 1 1,-0.2 4,-3.3 2,-0.2 5,-0.5 0.939 112.9 54.6 -56.5 -45.1 44.5 33.4 20.3 42 49 A I H X S+ 0 0 48 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.932 113.9 37.9 -54.5 -53.2 45.1 35.4 23.5 43 50 A R H X S+ 0 0 145 -4,-3.5 4,-1.9 2,-0.2 3,-0.3 0.989 116.4 55.6 -61.9 -55.1 45.0 38.7 21.6 44 51 A E H >X S+ 0 0 36 -4,-3.9 4,-1.1 1,-0.3 3,-0.9 0.893 114.7 34.6 -42.7 -64.0 42.2 37.4 19.4 45 52 A I H 3X S+ 0 0 1 -4,-3.3 4,-0.6 1,-0.3 -1,-0.3 0.786 111.6 65.6 -66.8 -22.3 39.7 36.5 22.1 46 53 A S H >< S+ 0 0 53 -4,-1.4 3,-0.6 -5,-0.5 -1,-0.3 0.857 98.2 53.3 -67.1 -31.8 41.0 39.5 24.0 47 54 A L H X< S+ 0 0 107 -4,-1.9 3,-2.4 -3,-0.9 4,-0.4 0.880 92.9 72.1 -68.7 -38.8 39.7 41.8 21.4 48 55 A L H >< S+ 0 0 15 -4,-1.1 3,-2.0 1,-0.3 -1,-0.2 0.766 78.3 78.6 -47.0 -32.3 36.2 40.3 21.6 49 56 A K T << S+ 0 0 46 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.1 0.750 93.5 49.0 -51.7 -26.5 35.7 41.9 24.9 50 57 A E T < S+ 0 0 153 -3,-2.4 2,-2.5 1,-0.2 -1,-0.3 0.662 85.6 95.6 -88.7 -14.1 34.9 45.2 23.1 51 58 A L < + 0 0 19 -3,-2.0 2,-0.4 -4,-0.4 -1,-0.2 -0.374 58.9 163.1 -75.9 65.3 32.5 43.5 20.8 52 59 A N + 0 0 71 -2,-2.5 5,-0.1 6,-0.1 -3,-0.0 -0.719 6.5 144.8 -96.8 136.0 29.4 44.4 22.9 53 60 A H > - 0 0 44 3,-0.5 3,-1.5 -2,-0.4 54,-0.1 -0.965 55.5-112.0-157.8 153.5 25.8 44.3 21.6 54 61 A P T 3 S+ 0 0 86 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.642 117.2 48.1 -69.6 -10.3 22.5 43.3 23.3 55 62 A N T 3 S+ 0 0 9 80,-0.1 81,-3.0 48,-0.1 2,-0.5 0.156 96.0 83.4-113.8 19.0 22.1 40.2 21.1 56 63 A I B < S-e 136 0B 9 -3,-1.5 -3,-0.5 79,-0.3 81,-0.2 -0.988 91.1-113.2-123.5 118.1 25.6 39.0 21.7 57 64 A V - 0 0 10 79,-2.7 81,-0.2 -2,-0.5 82,-0.2 -0.324 46.0-113.4 -50.1 116.4 26.2 37.0 24.9 58 65 A K - 0 0 83 -2,-0.1 16,-2.1 1,-0.1 2,-1.0 -0.317 15.8-140.0 -63.6 131.6 28.5 39.4 26.8 59 66 A L E -D 73 0A 14 14,-0.2 14,-0.3 -11,-0.2 -1,-0.1 -0.806 21.6-177.3 -90.8 103.7 32.1 38.3 27.4 60 67 A L E - 0 0 36 12,-1.3 2,-0.3 -2,-1.0 13,-0.2 0.948 56.0 -22.7 -69.2 -51.5 32.8 39.5 31.0 61 68 A D E -D 72 0A 95 11,-1.3 11,-2.4 2,-0.0 2,-0.4 -0.956 47.9-129.8-156.0 172.0 36.4 38.5 31.4 62 69 A V E -D 71 0A 42 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.999 18.4-170.4-130.6 128.3 39.3 36.3 30.3 63 70 A I E -D 70 0A 41 7,-3.0 7,-1.7 -2,-0.4 2,-0.8 -0.833 1.8-174.7-128.7 99.1 41.5 34.4 32.8 64 71 A H E +D 69 0A 83 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.790 15.2 160.0 -96.9 110.3 44.7 32.7 31.6 65 72 A T E > -D 68 0A 51 3,-3.2 3,-2.1 -2,-0.8 -2,-0.1 -0.997 64.1 -28.3-132.1 133.9 46.4 30.6 34.2 66 73 A E T 3 S- 0 0 152 -2,-0.4 2,-0.2 1,-0.3 -1,-0.1 0.756 123.1 -44.6 23.7 73.8 49.0 27.8 33.6 67 74 A N T 3 S+ 0 0 138 1,-0.2 2,-0.9 -30,-0.1 -1,-0.3 0.131 118.7 117.2 69.5 -25.0 47.8 26.6 30.2 68 75 A K E < - D 0 65A 88 -3,-2.1 -3,-3.2 -2,-0.2 2,-0.5 -0.668 48.3-169.7 -81.0 105.3 44.3 26.8 31.7 69 76 A L E - D 0 64A 1 -2,-0.9 -34,-3.2 -5,-0.2 2,-0.4 -0.829 2.6-169.7 -97.7 128.7 42.3 29.4 29.8 70 77 A Y E -CD 34 63A 23 -7,-1.7 -7,-3.0 -2,-0.5 2,-0.5 -0.951 9.0-158.6-122.0 138.2 39.0 30.5 31.3 71 78 A L E -CD 33 62A 1 -38,-2.7 -38,-1.5 -2,-0.4 2,-0.5 -0.959 7.2-153.8-118.5 118.9 36.2 32.6 29.7 72 79 A V E +CD 32 61A 4 -11,-2.4 -11,-1.3 -2,-0.5 -12,-1.3 -0.803 22.2 175.0 -93.8 124.7 33.7 34.4 31.8 73 80 A F E -CD 31 59A 24 -42,-2.5 -42,-2.6 -2,-0.5 -14,-0.2 -0.861 36.9 -96.0-125.3 160.6 30.4 35.0 30.1 74 81 A E E -C 30 0A 46 -16,-2.1 2,-0.4 -2,-0.3 -44,-0.2 -0.479 47.4-119.1 -72.5 148.7 27.0 36.5 31.1 75 82 A F + 0 0 47 -46,-0.6 2,-0.3 -2,-0.1 -46,-0.1 -0.779 30.7 178.1-100.4 131.3 24.5 33.7 32.0 76 83 A L - 0 0 14 -2,-0.4 53,-0.1 53,-0.1 3,-0.1 -0.947 30.9-128.0-124.0 148.3 21.2 33.0 30.3 77 84 A H S S+ 0 0 103 -2,-0.3 2,-0.3 51,-0.2 52,-0.1 0.512 76.7 26.1 -79.1 -3.5 18.9 30.2 31.3 78 85 A Q E -F 128 0B 18 50,-1.0 50,-3.5 203,-0.1 -1,-0.1 -0.951 54.6-140.7-165.5 146.5 18.3 28.4 28.0 79 86 A D E > -F 127 0B 42 -2,-0.3 4,-1.3 48,-0.2 48,-0.2 -0.334 34.9-112.2 -91.6 176.3 19.4 27.5 24.5 80 87 A L H > S+ 0 0 0 43,-2.0 4,-2.3 46,-0.8 44,-0.2 0.708 111.8 60.9 -83.4 -22.2 17.3 27.3 21.3 81 88 A K H > S+ 0 0 97 42,-0.7 4,-2.2 2,-0.2 5,-0.2 0.954 108.7 42.6 -69.6 -44.9 17.7 23.6 20.9 82 89 A K H > S+ 0 0 127 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.898 114.7 51.8 -65.4 -38.9 16.0 22.9 24.3 83 90 A F H < S+ 0 0 13 -4,-1.3 4,-0.5 1,-0.2 -1,-0.2 0.911 109.6 49.2 -64.7 -40.0 13.4 25.6 23.5 84 91 A M H >< S+ 0 0 21 -4,-2.3 3,-0.5 2,-0.2 -1,-0.2 0.884 114.4 44.9 -66.6 -38.6 12.6 24.0 20.2 85 92 A D H >< S+ 0 0 100 -4,-2.2 3,-2.0 1,-0.2 4,-0.3 0.949 106.5 58.5 -69.9 -47.4 12.3 20.5 21.8 86 93 A A T 3< S+ 0 0 81 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.640 118.6 34.3 -55.2 -13.8 10.2 21.9 24.7 87 94 A S T X> S+ 0 0 15 -3,-0.5 4,-4.6 -4,-0.5 3,-0.6 0.254 79.0 117.8-126.3 11.5 7.8 23.0 21.9 88 95 A A T <4 S+ 0 0 46 -3,-2.0 -2,-0.1 1,-0.2 -3,-0.1 0.828 77.2 51.9 -49.2 -38.6 8.1 20.3 19.3 89 96 A L T 34 S+ 0 0 172 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.885 127.7 19.4 -70.6 -37.7 4.4 19.3 19.6 90 97 A T T <4 S- 0 0 112 -3,-0.6 -2,-0.2 3,-0.0 -1,-0.2 0.647 101.0-141.3-107.4 -16.5 3.1 22.8 19.1 91 98 A G < - 0 0 11 -4,-4.6 -3,-0.1 -7,-0.2 89,-0.1 0.355 35.7 -57.2 69.8 152.1 6.0 24.6 17.5 92 99 A I - 0 0 15 87,-0.5 2,-0.1 1,-0.1 5,-0.1 -0.460 59.4-108.8 -68.8 128.4 7.2 28.2 18.1 93 100 A P >> - 0 0 82 0, 0.0 3,-2.0 0, 0.0 4,-1.5 -0.382 29.3-124.2 -57.6 122.9 4.5 30.8 17.5 94 101 A L H 3> S+ 0 0 61 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.822 108.2 62.0 -38.3 -49.9 5.5 32.6 14.3 95 102 A P H 3> S+ 0 0 70 0, 0.0 4,-1.9 0, 0.0 178,-0.4 0.864 108.1 44.8 -48.5 -39.4 5.6 36.1 16.0 96 103 A L H <> S+ 0 0 8 -3,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.861 110.6 53.1 -73.4 -36.6 8.3 34.7 18.3 97 104 A I H X S+ 0 0 4 -4,-1.5 4,-2.5 1,-0.2 5,-0.2 0.910 111.0 48.2 -63.5 -41.3 10.1 33.1 15.4 98 105 A K H X S+ 0 0 16 -4,-3.1 4,-2.1 -5,-0.2 -2,-0.2 0.906 112.4 47.6 -65.6 -43.0 10.1 36.5 13.6 99 106 A S H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.3 5,-0.2 0.931 113.0 48.7 -65.2 -45.6 11.3 38.4 16.7 100 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.942 113.4 45.5 -61.5 -46.7 14.1 35.9 17.3 101 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.876 112.1 54.3 -63.9 -34.9 15.3 36.0 13.7 102 109 A F H X S+ 0 0 50 -4,-2.1 4,-1.2 -5,-0.2 -2,-0.2 0.920 111.1 43.2 -64.4 -44.4 15.1 39.8 13.8 103 110 A Q H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.870 112.0 53.4 -70.0 -38.4 17.3 40.1 16.9 104 111 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.882 107.4 51.7 -64.6 -37.3 19.8 37.5 15.6 105 112 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.837 108.0 53.2 -67.8 -30.2 20.1 39.5 12.4 106 113 A Q H X S+ 0 0 57 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.914 110.3 46.9 -68.0 -43.9 20.8 42.6 14.5 107 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.865 113.4 47.3 -66.0 -38.8 23.5 40.8 16.3 108 115 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.897 107.8 57.1 -69.9 -38.4 25.1 39.5 13.1 109 116 A A H X S+ 0 0 19 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.893 108.6 47.9 -57.7 -40.4 24.8 43.0 11.6 110 117 A F H X S+ 0 0 45 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.961 115.2 41.5 -67.0 -53.3 26.9 44.3 14.5 111 118 A C H <>S+ 0 0 0 -4,-2.0 5,-1.5 1,-0.2 3,-0.5 0.944 114.0 52.4 -59.5 -51.1 29.7 41.7 14.4 112 119 A H H ><5S+ 0 0 23 -4,-2.9 3,-2.0 1,-0.3 -1,-0.2 0.897 105.2 54.9 -52.4 -45.6 29.9 41.6 10.6 113 120 A S H 3<5S+ 0 0 73 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.865 105.1 54.9 -59.1 -34.6 30.3 45.4 10.5 114 121 A H T 3<5S- 0 0 104 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.092 124.6-106.6 -88.1 28.2 33.2 44.9 12.8 115 122 A R T < 5S+ 0 0 206 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.891 79.5 132.6 48.9 49.0 34.8 42.5 10.4 116 123 A V < - 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