==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-AUG-07 2R3F . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.O.FISCHMANN,A.W.HRUZA,V.M.MADISON,J.S.DUCA . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 62.1 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 . 39 13.4 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 . 34 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 26.6 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 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,-2.6 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -26.3 -13.1 31.1 -3.4 2 2 A E T 3 + 0 0 154 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.625 360.0 70.0 -59.4 -9.2 -13.1 31.1 -7.2 3 3 A N T 3 S+ 0 0 59 21,-0.1 21,-3.4 20,-0.1 22,-0.6 0.393 91.9 73.0 -88.6 1.8 -10.7 33.9 -6.7 4 4 A F E < -A 23 0A 26 -3,-2.6 2,-0.6 19,-0.3 19,-0.2 -0.952 60.9-154.0-125.5 143.6 -7.9 31.6 -5.4 5 5 A Q E -A 22 0A 106 17,-3.0 17,-2.2 -2,-0.4 2,-0.3 -0.931 25.1-134.3-111.1 112.2 -5.6 29.0 -6.9 6 6 A K E -A 21 0A 100 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.508 23.5-178.6 -67.5 127.3 -4.5 26.4 -4.4 7 7 A V E - 0 0 56 13,-3.2 2,-0.3 1,-0.3 14,-0.2 0.867 60.1 -27.3 -92.2 -48.4 -0.8 25.9 -4.8 8 8 A E E -A 20 0A 108 12,-1.5 12,-3.1 0, 0.0 2,-0.4 -0.963 59.5-100.6-167.8 151.2 -0.2 23.2 -2.1 9 9 A K E +A 19 0A 111 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.617 34.5 179.2 -75.7 122.5 -1.5 21.8 1.1 10 10 A I E - 0 0 69 8,-2.5 2,-0.3 -2,-0.4 9,-0.2 0.647 54.6 -32.4-102.0 -16.8 0.7 23.1 3.9 11 11 A G E -A 18 0A 19 7,-1.5 7,-2.6 2,-0.0 2,-0.6 -0.990 50.2-100.6 177.8 174.3 -0.9 21.5 6.9 12 12 A E E -A 17 0A 59 -2,-0.3 5,-0.2 5,-0.2 141,-0.1 -0.913 47.0-162.8-114.8 97.1 -3.8 20.2 8.8 13 13 A G - 0 0 17 3,-1.9 139,-0.5 -2,-0.6 140,-0.3 -0.038 35.4 -92.9 -75.2-180.0 -4.8 23.0 11.3 14 14 A T S S+ 0 0 13 1,-0.2 138,-1.1 137,-0.2 139,-0.1 0.897 124.8 27.9 -56.5 -45.1 -6.9 22.8 14.4 15 15 A Y S S- 0 0 41 1,-0.3 2,-0.3 136,-0.2 -1,-0.2 0.586 129.2 -43.4 -97.4 -16.9 -10.0 23.8 12.4 16 16 A G S S- 0 0 3 19,-0.2 -3,-1.9 137,-0.0 -1,-0.3 -0.977 80.7 -35.3 169.8-177.1 -9.4 22.6 8.9 17 17 A V E -A 12 0A 20 -2,-0.3 17,-2.4 -5,-0.2 2,-0.4 -0.311 47.1-148.2 -68.7 146.5 -6.9 22.3 6.0 18 18 A V E -AB 11 33A 12 -7,-2.6 -8,-2.5 15,-0.2 -7,-1.5 -0.980 18.3-173.3-118.3 130.0 -4.4 25.0 5.4 19 19 A Y E -AB 9 32A 58 13,-2.7 13,-3.0 -2,-0.4 2,-0.5 -0.940 28.8-129.2-123.6 150.5 -3.2 25.8 1.9 20 20 A K E +AB 8 31A 43 -12,-3.1 -13,-3.2 -2,-0.4 -12,-1.5 -0.808 47.7 173.9 -86.5 133.6 -0.7 28.0 0.2 21 21 A A E -AB 6 30A 0 9,-2.7 9,-2.7 -2,-0.5 2,-0.4 -0.941 30.7-133.3-143.4 164.0 -2.7 29.8 -2.5 22 22 A R E -AB 5 29A 107 -17,-2.2 -17,-3.0 -2,-0.3 2,-0.4 -0.970 25.4-120.9-122.3 133.0 -2.5 32.5 -5.1 23 23 A N E > -A 4 0A 22 5,-3.2 4,-1.3 -2,-0.4 -19,-0.3 -0.594 15.6-147.2 -68.5 121.9 -5.0 35.2 -5.7 24 24 A K T 4 S+ 0 0 110 -21,-3.4 -1,-0.2 -2,-0.4 -20,-0.1 0.724 96.2 40.8 -63.9 -16.4 -6.2 34.8 -9.3 25 25 A L T 4 S+ 0 0 127 -22,-0.6 -1,-0.1 3,-0.1 -21,-0.0 0.888 126.7 21.0 -92.5 -84.0 -6.5 38.6 -9.2 26 26 A T T 4 S- 0 0 101 1,-0.1 -2,-0.1 2,-0.0 3,-0.1 0.517 94.1-127.3 -67.6 -5.2 -3.7 40.4 -7.5 27 27 A G < + 0 0 37 -4,-1.3 -1,-0.1 1,-0.2 -3,-0.1 0.497 54.6 160.9 69.7 2.2 -1.4 37.3 -7.9 28 28 A E - 0 0 87 -6,-0.1 -5,-3.2 1,-0.1 2,-0.5 -0.245 38.9-134.3 -56.8 138.2 -0.9 37.6 -4.2 29 29 A V E +B 22 0A 58 -7,-0.2 46,-0.6 -3,-0.1 2,-0.3 -0.863 39.6 160.0 -97.8 127.4 0.5 34.5 -2.4 30 30 A V E -BC 21 74A 0 -9,-2.7 -9,-2.7 -2,-0.5 2,-0.5 -0.864 44.4-107.5-138.8 172.3 -1.5 33.8 0.8 31 31 A A E -BC 20 73A 10 42,-2.6 42,-2.9 -2,-0.3 2,-0.5 -0.925 33.5-158.7-103.7 131.4 -2.3 31.1 3.4 32 32 A L E -BC 19 72A 5 -13,-3.0 -13,-2.7 -2,-0.5 2,-0.5 -0.952 5.3-164.9-115.2 124.6 -5.9 30.0 3.0 33 33 A K E -BC 18 71A 31 38,-2.9 38,-2.4 -2,-0.5 2,-0.4 -0.945 10.3-149.2-115.7 124.2 -7.6 28.3 6.0 34 34 A K E C 0 70A 49 -17,-2.4 36,-0.2 -2,-0.5 -21,-0.1 -0.694 360.0 360.0 -83.8 135.0 -10.8 26.3 5.9 35 35 A I 0 0 45 34,-2.6 34,-0.6 -2,-0.4 -19,-0.2 -0.909 360.0 360.0-111.8 360.0 -12.8 26.5 9.1 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 44 A V 0 0 60 0, 0.0 31,-0.1 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 128.8 -21.4 29.9 10.6 38 45 A P > - 0 0 87 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.283 360.0-127.0 -56.7 136.6 -22.7 31.2 14.0 39 46 A S H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.824 108.7 60.0 -55.7 -35.3 -23.1 35.0 13.9 40 47 A T H > S+ 0 0 95 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.926 105.2 47.3 -60.6 -44.9 -21.0 35.2 17.0 41 48 A A H > S+ 0 0 4 -3,-0.5 4,-2.8 1,-0.2 5,-0.3 0.957 111.5 51.7 -61.5 -48.3 -18.0 33.5 15.3 42 49 A I H X S+ 0 0 39 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.892 111.9 45.9 -54.6 -45.7 -18.4 35.8 12.3 43 50 A R H X S+ 0 0 156 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.923 112.7 49.6 -65.3 -44.1 -18.4 38.9 14.5 44 51 A E H X S+ 0 0 46 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.937 113.7 45.7 -61.2 -47.4 -15.4 37.8 16.6 45 52 A I H X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 3,-0.5 0.896 107.4 58.9 -62.1 -41.0 -13.3 37.0 13.5 46 53 A S H >< S+ 0 0 45 -4,-2.1 3,-1.1 -5,-0.3 4,-0.2 0.892 101.8 54.6 -57.0 -38.1 -14.3 40.3 11.9 47 54 A L H >< S+ 0 0 111 -4,-1.8 3,-1.8 1,-0.3 4,-0.3 0.850 96.7 65.7 -63.7 -35.1 -12.8 42.2 14.8 48 55 A L H >< S+ 0 0 12 -4,-1.1 3,-1.3 -3,-0.5 11,-0.3 0.747 83.0 76.6 -63.3 -19.3 -9.5 40.4 14.3 49 56 A K T << S+ 0 0 65 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.697 98.8 44.2 -62.5 -19.8 -9.1 42.2 10.9 50 57 A E T < S+ 0 0 164 -3,-1.8 2,-1.8 -4,-0.2 -1,-0.3 0.412 84.6 96.7-103.1 -4.2 -8.2 45.4 12.8 51 58 A L < + 0 0 18 -3,-1.3 2,-0.4 -4,-0.3 8,-0.2 -0.584 60.1 163.8 -87.4 72.9 -5.8 43.7 15.3 52 59 A N + 0 0 72 -2,-1.8 5,-0.1 6,-0.1 6,-0.1 -0.810 7.9 143.6-103.6 132.2 -2.8 44.6 13.1 53 60 A H > - 0 0 43 -2,-0.4 3,-2.4 3,-0.4 54,-0.0 -0.965 56.0-110.4-160.4 150.0 0.8 44.5 14.3 54 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.750 118.1 48.6 -58.1 -24.6 4.2 43.5 12.7 55 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.6 48,-0.1 2,-0.5 0.227 97.9 80.4-103.4 17.1 4.5 40.5 14.9 56 63 A I B < S-e 136 0B 10 -3,-2.4 -3,-0.4 79,-0.3 81,-0.2 -0.987 90.4-113.1-122.8 125.3 1.0 39.2 14.2 57 64 A V - 0 0 9 79,-2.4 2,-0.2 -2,-0.5 82,-0.1 -0.416 44.8-109.5 -57.9 128.4 0.3 37.3 11.0 58 65 A K - 0 0 92 -4,-0.1 16,-2.4 -2,-0.1 2,-0.9 -0.427 17.7-142.5 -71.0 129.4 -2.0 39.6 9.0 59 66 A L E +D 73 0A 13 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.811 23.4 179.2 -87.0 107.2 -5.6 38.6 8.6 60 67 A L E - 0 0 33 12,-2.3 2,-0.3 -2,-0.9 13,-0.2 0.908 53.9 -20.3 -79.2 -46.4 -6.4 39.7 5.0 61 68 A D E -D 72 0A 93 11,-1.5 11,-2.6 2,-0.0 2,-0.4 -0.992 45.8-133.0-158.7 166.6 -9.9 38.6 4.6 62 69 A V E -D 71 0A 33 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.992 18.2-163.7-125.8 128.5 -12.8 36.5 5.6 63 70 A I E -D 70 0A 33 7,-2.9 7,-2.6 -2,-0.4 2,-0.6 -0.968 7.9-179.9-117.5 119.0 -14.9 34.6 3.1 64 71 A H E +D 69 0A 78 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.936 23.3 146.0-119.1 102.1 -18.2 33.2 4.2 65 72 A T E > +D 68 0A 71 3,-1.7 3,-1.1 -2,-0.6 -2,-0.1 -1.000 62.0 6.6-143.0 142.9 -19.9 31.4 1.3 66 73 A E T 3 S- 0 0 170 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.824 129.8 -64.1 57.4 28.3 -22.2 28.4 0.9 67 74 A N T 3 S+ 0 0 138 1,-0.3 2,-0.3 -30,-0.0 -1,-0.3 0.868 112.7 122.5 60.8 39.1 -22.2 28.5 4.7 68 75 A K E < - D 0 65A 57 -3,-1.1 -3,-1.7 -31,-0.1 2,-0.5 -0.934 53.5-139.2-126.9 150.4 -18.5 27.7 4.7 69 76 A L E + D 0 64A 2 -34,-0.6 -34,-2.6 -2,-0.3 2,-0.4 -0.953 19.1 177.2-120.2 130.3 -15.8 29.8 6.3 70 77 A Y E -CD 34 63A 42 -7,-2.6 -7,-2.9 -2,-0.5 2,-0.4 -0.994 12.9-156.4-126.7 136.4 -12.3 30.6 4.8 71 78 A L E -CD 33 62A 0 -38,-2.4 -38,-2.9 -2,-0.4 2,-0.5 -0.936 7.2-153.7-112.8 135.4 -9.7 32.8 6.4 72 79 A V E -CD 32 61A 4 -11,-2.6 -12,-2.3 -2,-0.4 -11,-1.5 -0.941 20.4-179.8-111.6 123.2 -7.0 34.4 4.2 73 80 A F E -CD 31 59A 13 -42,-2.9 -42,-2.6 -2,-0.5 -14,-0.2 -0.835 37.8 -91.8-122.5 158.7 -3.7 35.3 5.8 74 81 A E E -C 30 0A 52 -16,-2.4 2,-0.4 -2,-0.3 -44,-0.2 -0.388 53.7-120.3 -57.3 142.3 -0.4 36.8 5.0 75 82 A F - 0 0 34 -46,-0.6 2,-0.4 -54,-0.1 -1,-0.1 -0.770 29.3-175.3 -97.3 136.1 1.9 33.9 4.0 76 83 A L - 0 0 16 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.966 23.8-135.4-125.8 144.4 5.1 33.0 5.8 77 84 A H S S+ 0 0 105 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.670 75.2 19.6 -75.6 -20.7 7.5 30.2 4.6 78 85 A Q E -F 128 0B 39 50,-1.1 50,-2.9 213,-0.1 2,-0.2 -0.987 59.8-136.8-150.7 160.8 8.3 28.4 7.8 79 86 A D E > -F 127 0B 12 -2,-0.3 4,-2.0 48,-0.3 48,-0.2 -0.670 30.2-113.4-114.8 166.4 7.3 27.7 11.4 80 87 A L H > S+ 0 0 0 46,-2.5 4,-2.7 43,-1.2 44,-0.2 0.780 112.2 61.2 -70.2 -29.2 9.3 27.6 14.6 81 88 A K H > S+ 0 0 88 42,-0.8 4,-2.4 45,-0.3 -1,-0.2 0.961 110.1 40.3 -62.1 -50.6 8.7 23.8 15.0 82 89 A K H > S+ 0 0 112 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.907 114.9 52.7 -66.2 -37.6 10.4 23.0 11.8 83 90 A F H X S+ 0 0 13 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.917 110.8 48.0 -64.9 -40.8 13.2 25.6 12.4 84 91 A M H < S+ 0 0 22 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.919 111.0 49.0 -66.3 -43.5 13.8 24.1 15.8 85 92 A D H >< S+ 0 0 98 -4,-2.4 3,-1.4 1,-0.2 4,-0.2 0.911 112.0 50.8 -60.1 -43.2 13.9 20.5 14.5 86 93 A A H 3< S+ 0 0 80 -4,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.786 111.6 47.1 -65.1 -27.9 16.4 21.8 11.8 87 94 A S T 3X S+ 0 0 20 -4,-1.6 4,-2.6 1,-0.2 -1,-0.3 0.113 78.3 112.3 -99.9 20.5 18.6 23.4 14.4 88 95 A A T <4 S+ 0 0 48 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.833 71.1 56.6 -61.7 -34.8 18.6 20.4 16.7 89 96 A L T 4 S+ 0 0 160 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.930 129.3 7.9 -65.1 -50.0 22.3 19.7 16.1 90 97 A T T 4 S- 0 0 112 -3,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.576 103.3-127.1-109.4 -14.9 23.8 23.0 17.2 91 98 A G < - 0 0 8 -4,-2.6 -3,-0.1 -7,-0.2 99,-0.1 0.209 38.2 -62.3 80.3 154.4 20.7 24.7 18.6 92 99 A I - 0 0 12 97,-0.5 5,-0.1 1,-0.1 100,-0.0 -0.563 65.4-105.1 -69.4 130.5 19.3 28.2 17.8 93 100 A P >> - 0 0 81 0, 0.0 4,-2.3 0, 0.0 3,-0.8 -0.254 26.1-119.2 -57.1 143.1 22.0 30.8 18.7 94 101 A L H 3> S+ 0 0 69 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.880 111.8 56.9 -54.2 -40.0 21.1 32.7 21.9 95 102 A P H 3> S+ 0 0 68 0, 0.0 4,-2.0 0, 0.0 188,-0.4 0.855 110.4 45.5 -61.5 -35.5 21.0 36.1 20.1 96 103 A L H <> S+ 0 0 7 -3,-0.8 4,-2.8 2,-0.2 5,-0.2 0.885 111.5 50.8 -75.1 -40.2 18.3 34.7 17.8 97 104 A I H X S+ 0 0 5 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.941 112.8 48.2 -58.4 -45.9 16.3 33.1 20.6 98 105 A K H X S+ 0 0 12 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.917 111.6 48.7 -59.8 -47.2 16.4 36.5 22.4 99 106 A S H X S+ 0 0 3 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.941 113.2 47.4 -60.2 -46.2 15.3 38.4 19.2 100 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.927 113.4 47.7 -61.9 -44.3 12.5 35.9 18.6 101 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.909 111.6 50.7 -62.5 -42.7 11.3 36.1 22.3 102 109 A F H X S+ 0 0 56 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.929 113.3 45.1 -59.3 -46.4 11.5 39.9 22.2 103 110 A Q H X S+ 0 0 15 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.891 111.7 51.4 -66.2 -46.0 9.4 40.1 19.0 104 111 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.889 108.7 52.4 -59.9 -39.8 6.8 37.5 20.3 105 112 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.831 106.3 53.3 -62.8 -34.6 6.4 39.5 23.5 106 113 A Q H X S+ 0 0 62 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.899 109.3 49.7 -66.2 -38.7 5.8 42.7 21.4 107 114 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.932 113.4 45.3 -64.3 -45.2 3.0 40.7 19.6 108 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.907 109.8 54.4 -65.7 -43.4 1.5 39.6 22.8 109 116 A A H X S+ 0 0 7 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.916 110.6 47.9 -59.2 -40.0 1.8 43.1 24.4 110 117 A F H X S+ 0 0 45 -4,-2.1 4,-0.7 2,-0.2 3,-0.3 0.964 116.1 40.3 -65.5 -52.8 -0.1 44.5 21.5 111 118 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 3,-1.1 0.912 114.6 53.0 -64.1 -41.6 -2.9 42.0 21.5 112 119 A H H ><5S+ 0 0 26 -4,-3.3 3,-1.6 1,-0.3 -1,-0.2 0.804 100.0 62.2 -63.4 -27.1 -3.2 41.9 25.2 113 120 A S H 3<5S+ 0 0 49 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.774 107.0 45.8 -70.6 -20.7 -3.6 45.7 25.3 114 121 A H T <<5S- 0 0 83 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.169 120.8-113.1-101.8 13.5 -6.8 45.1 23.3 115 122 A R T < 5S+ 0 0 178 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.703 71.5 138.5 62.9 26.1 -7.8 42.3 25.6 116 123 A V < - 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