==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-JUL-03 1PXN . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.WANG,C.MEADES,G.WOOD,A.OSNOWSKI,S.ANDERSON,R.YUILL, . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14744.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 59.9 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 . 39 13.3 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 . 1 0.3 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 . 19 6.5 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 . 71 24.1 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 1 0 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 1 1 2 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 72 0, 0.0 3,-2.4 0, 0.0 66,-0.0 0.000 360.0 360.0 360.0 132.5 -13.5 5.2 38.1 2 2 A E T 3 + 0 0 130 1,-0.3 3,-0.0 3,-0.0 0, 0.0 0.261 360.0 76.3 -65.1 17.8 -12.8 5.7 41.8 3 3 A N T 3 S+ 0 0 57 21,-0.1 21,-2.7 20,-0.0 22,-0.6 0.424 89.9 63.1-105.2 -4.0 -10.4 2.7 41.5 4 4 A F E < -A 23 0A 34 -3,-2.4 2,-0.5 19,-0.2 19,-0.2 -0.938 61.2-159.5-125.6 146.6 -7.8 4.8 39.8 5 5 A Q E -A 22 0A 101 17,-1.6 17,-2.3 -2,-0.4 2,-0.1 -0.980 21.9-133.9-126.8 116.9 -5.7 7.8 40.9 6 6 A K E -A 21 0A 119 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.366 21.6-179.3 -66.4 144.5 -4.2 9.9 38.2 7 7 A V E - 0 0 87 13,-2.7 2,-0.3 1,-0.3 14,-0.2 0.675 63.0 -13.6-116.0 -34.3 -0.5 10.9 38.7 8 8 A E E -A 20 0A 102 12,-1.0 12,-2.0 0, 0.0 2,-0.5 -0.912 69.5 -96.1-171.0 143.0 0.3 13.0 35.6 9 9 A K E +A 19 0A 99 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.507 40.9 176.8 -65.1 117.6 -1.0 14.0 32.2 10 10 A I E - 0 0 70 8,-3.0 2,-0.3 -2,-0.5 9,-0.2 0.660 57.7 -4.5 -97.6 -23.2 0.8 11.6 29.9 11 11 A G E -A 18 0A 24 7,-1.9 7,-2.9 9,-0.0 2,-0.3 -0.991 50.0-150.6-165.9 165.8 -0.8 12.6 26.6 12 12 A E E +A 17 0A 99 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.962 33.3 129.0-140.7 151.5 -3.4 14.6 24.8 13 13 A G - 0 0 24 3,-0.5 143,-1.2 -2,-0.3 148,-0.1 -0.927 61.4 -50.5-174.2-161.8 -5.2 13.8 21.6 14 14 A T S S+ 0 0 36 -2,-0.3 144,-0.2 141,-0.2 -1,-0.2 0.992 124.2 33.6 -59.2 -74.3 -8.4 13.5 19.6 15 15 A Y S S- 0 0 46 1,-0.1 21,-0.7 140,-0.1 2,-0.2 0.958 125.6 -70.4 -48.9 -63.4 -10.7 11.3 21.8 16 16 A G E - B 0 35A 0 19,-0.2 -3,-0.5 140,-0.0 2,-0.2 -0.838 63.1 -39.7-167.1-155.0 -9.3 12.7 25.1 17 17 A V E -AB 12 34A 0 17,-0.9 17,-1.2 -2,-0.2 2,-0.4 -0.550 40.9-138.8 -94.5 158.0 -6.5 12.9 27.5 18 18 A V E -AB 11 33A 30 -7,-2.9 -8,-3.0 15,-0.2 -7,-1.9 -0.963 20.0-172.4-119.3 133.0 -4.1 10.2 28.7 19 19 A Y E -AB 9 32A 47 13,-3.1 13,-3.2 -2,-0.4 2,-0.4 -0.928 27.1-130.4-127.9 148.2 -3.0 9.8 32.3 20 20 A K E -AB 8 31A 49 -12,-2.0 -13,-2.7 -2,-0.4 -12,-1.0 -0.780 44.2-179.3 -86.2 139.1 -0.5 7.7 34.1 21 21 A A E -AB 6 30A 1 9,-2.6 9,-3.5 -2,-0.4 2,-0.5 -1.000 30.1-135.5-148.6 146.1 -2.5 6.2 36.9 22 22 A R E -AB 5 29A 127 -17,-2.3 -17,-1.6 -2,-0.3 2,-0.4 -0.894 27.5-125.8-102.5 124.7 -2.0 3.9 39.9 23 23 A N E > -A 4 0A 24 5,-4.2 4,-1.0 -2,-0.5 -19,-0.2 -0.574 17.1-150.0 -66.8 120.0 -4.7 1.3 40.4 24 24 A K T 4 S+ 0 0 132 -21,-2.7 -1,-0.2 -2,-0.4 -20,-0.1 0.779 90.2 35.4 -66.2 -25.6 -5.7 1.9 43.9 25 25 A L T 4 S+ 0 0 133 -22,-0.6 -1,-0.1 3,-0.1 -21,-0.1 0.934 128.1 28.5 -92.1 -66.5 -6.6 -1.8 44.4 26 26 A T T 4 S- 0 0 97 1,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.754 97.1-136.0 -67.2 -24.7 -4.2 -4.0 42.5 27 27 A G < + 0 0 26 -4,-1.0 -3,-0.1 1,-0.3 -1,-0.1 0.381 54.5 140.3 84.9 -4.2 -1.6 -1.2 42.9 28 28 A E - 0 0 117 -6,-0.1 -5,-4.2 1,-0.1 2,-0.5 -0.337 53.3-123.9 -73.5 153.2 -0.4 -1.4 39.3 29 29 A V E +B 22 0A 32 -7,-0.3 50,-0.6 -3,-0.1 -7,-0.3 -0.845 41.4 165.1 -96.6 129.9 0.4 1.6 37.2 30 30 A V E -BC 21 78A 5 -9,-3.5 -9,-2.6 -2,-0.5 2,-0.5 -0.693 38.8-106.5-130.8-175.0 -1.6 1.8 34.0 31 31 A A E -BC 20 77A 14 46,-1.7 46,-2.2 -11,-0.2 2,-0.4 -0.982 33.4-160.0-119.8 129.1 -2.4 4.4 31.4 32 32 A L E -BC 19 76A 12 -13,-3.2 -13,-3.1 -2,-0.5 2,-0.5 -0.933 7.2-165.4-115.6 138.6 -5.9 5.8 31.5 33 33 A K E -BC 18 75A 9 42,-1.4 42,-1.4 -2,-0.4 2,-0.6 -0.937 4.6-160.6-126.6 110.6 -7.7 7.5 28.7 34 34 A K E -BC 17 74A 42 -17,-1.2 -17,-0.9 -2,-0.5 2,-0.2 -0.791 13.8-164.8 -91.4 120.0 -10.9 9.5 29.4 35 35 A I E B 16 0A 16 38,-2.8 38,-0.4 -2,-0.6 -19,-0.2 -0.654 360.0 360.0-100.3 159.5 -12.9 10.1 26.2 36 36 A R 0 0 119 -21,-0.7 36,-0.1 -2,-0.2 35,-0.0 -0.936 360.0 360.0-125.3 360.0 -15.8 12.6 25.8 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 98 0, 0.0 34,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 96.5 -21.6 12.3 25.2 39 42 A E - 0 0 177 32,-0.0 32,-0.0 0, 0.0 0, 0.0 0.763 360.0 -30.6-108.3 -43.3 -25.2 11.5 24.5 40 43 A G S S- 0 0 45 31,-0.1 31,-0.1 30,-0.0 32,-0.1 0.344 81.6-113.5-157.1 -5.3 -25.5 7.8 24.8 41 44 A V - 0 0 19 30,-0.2 5,-0.1 1,-0.1 30,-0.1 0.943 41.0 -97.2 60.5 97.6 -22.1 6.4 23.8 42 45 A P > - 0 0 48 0, 0.0 4,-1.0 0, 0.0 3,-0.3 -0.125 22.2-146.8 -47.0 126.3 -22.6 4.4 20.5 43 46 A S H > S+ 0 0 68 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.724 99.5 64.1 -66.3 -23.8 -22.9 0.7 21.2 44 47 A T H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.907 99.5 50.3 -66.6 -42.4 -21.1 0.2 17.9 45 48 A A H > S+ 0 0 2 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.826 111.3 51.9 -64.2 -30.4 -18.0 1.8 19.3 46 49 A I H X S+ 0 0 44 -4,-1.0 4,-2.5 2,-0.2 5,-0.2 0.932 106.6 49.9 -71.1 -50.1 -18.4 -0.6 22.3 47 50 A R H X S+ 0 0 143 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.960 117.6 41.5 -52.9 -53.4 -18.6 -3.7 20.2 48 51 A E H X S+ 0 0 40 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.783 111.8 53.8 -67.4 -31.5 -15.5 -2.7 18.3 49 52 A I H X S+ 0 0 6 -4,-1.6 4,-0.7 -5,-0.2 -1,-0.2 0.852 111.9 47.1 -71.3 -32.3 -13.6 -1.5 21.4 50 53 A S H < S+ 0 0 46 -4,-2.5 4,-0.5 2,-0.2 3,-0.4 0.862 107.0 55.1 -75.8 -35.5 -14.3 -4.8 23.0 51 54 A L H >< S+ 0 0 102 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.868 104.5 56.1 -64.9 -32.9 -13.2 -6.8 19.9 52 55 A L H >< S+ 0 0 12 -4,-1.4 3,-1.3 1,-0.2 11,-0.3 0.787 95.8 65.6 -68.5 -26.3 -9.9 -4.8 20.1 53 56 A K T 3< S+ 0 0 58 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.687 93.5 62.6 -69.7 -16.1 -9.5 -6.1 23.7 54 57 A E T < S+ 0 0 150 -3,-1.1 2,-0.7 -4,-0.5 -1,-0.2 0.490 78.6 95.7 -89.3 -4.2 -9.1 -9.6 22.3 55 58 A L < - 0 0 22 -3,-1.3 2,-0.6 -4,-0.2 8,-0.2 -0.794 51.8-177.3 -95.0 115.6 -6.0 -9.1 20.3 56 59 A N + 0 0 100 -2,-0.7 5,-0.1 6,-0.1 -3,-0.0 -0.931 15.1 145.8-115.9 117.5 -2.8 -10.1 22.1 57 60 A H > - 0 0 43 -2,-0.6 3,-2.1 3,-0.4 54,-0.1 -0.994 55.1-116.6-147.6 144.2 0.6 -9.6 20.7 58 61 A P T 3 S+ 0 0 92 0, 0.0 80,-0.1 0, 0.0 53,-0.1 0.611 113.7 49.2 -54.9 -13.5 4.0 -8.8 22.2 59 62 A N T 3 S+ 0 0 6 80,-0.1 81,-2.4 78,-0.1 2,-0.4 0.184 94.3 78.6-117.4 23.0 4.0 -5.5 20.2 60 63 A I B < S-e 140 0B 7 -3,-2.1 -3,-0.4 79,-0.3 2,-0.3 -0.997 85.8-112.4-130.1 130.5 0.7 -4.0 20.9 61 64 A V - 0 0 9 79,-3.5 2,-0.2 -2,-0.4 81,-0.2 -0.443 41.9-122.8 -58.4 118.7 -0.2 -2.2 24.0 62 65 A K - 0 0 97 -2,-0.3 16,-2.1 1,-0.1 2,-1.2 -0.464 9.4-136.7 -71.1 132.9 -2.7 -4.5 25.7 63 66 A L E -D 77 0A 14 -11,-0.3 14,-0.3 -8,-0.2 3,-0.1 -0.773 21.6-175.0 -89.4 97.8 -6.0 -3.0 26.6 64 67 A L E - 0 0 47 -2,-1.2 2,-0.3 12,-0.8 -1,-0.2 0.966 59.2 -16.5 -57.7 -54.7 -6.5 -4.4 30.1 65 68 A D E -D 76 0A 88 11,-1.2 11,-3.0 -3,-0.2 2,-0.4 -0.964 46.7-134.6-153.9 169.5 -10.1 -3.0 30.4 66 69 A V E -D 75 0A 32 -2,-0.3 2,-0.8 9,-0.2 9,-0.2 -0.976 15.5-166.4-128.3 114.7 -12.9 -0.6 29.3 67 70 A I E -D 74 0A 33 7,-2.9 7,-1.7 -2,-0.4 2,-1.0 -0.830 2.3-171.0-108.4 99.7 -14.9 1.3 31.9 68 71 A H E +D 73 0A 82 -2,-0.8 2,-0.4 5,-0.2 5,-0.2 -0.765 21.4 166.0 -88.4 103.2 -18.1 2.8 30.4 69 72 A T E > -D 72 0A 52 3,-2.9 3,-1.7 -2,-1.0 -2,-0.1 -0.980 58.3 -19.2-130.8 130.1 -19.4 5.1 33.1 70 73 A E T 3 S- 0 0 166 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.853 125.1 -53.3 47.9 44.6 -22.0 7.8 33.0 71 74 A N T 3 S+ 0 0 65 1,-0.2 2,-0.4 -31,-0.1 -1,-0.3 0.722 119.1 112.9 66.5 21.8 -21.7 8.1 29.2 72 75 A K E < - D 0 69A 50 -3,-1.7 -3,-2.9 -36,-0.1 2,-0.5 -0.993 59.0-140.7-127.4 132.3 -17.9 8.6 29.6 73 76 A L E - D 0 68A 9 -38,-0.4 -38,-2.8 -2,-0.4 2,-0.5 -0.831 13.9-172.2-102.4 128.3 -15.4 6.0 28.4 74 77 A Y E -CD 34 67A 51 -7,-1.7 -7,-2.9 -2,-0.5 2,-0.5 -0.960 7.3-160.1-115.7 128.3 -12.2 5.1 30.2 75 78 A L E -CD 33 66A 4 -42,-1.4 -42,-1.4 -2,-0.5 2,-0.5 -0.952 3.7-155.5-113.3 124.4 -9.6 2.9 28.6 76 79 A V E -CD 32 65A 5 -11,-3.0 -11,-1.2 -2,-0.5 -12,-0.8 -0.872 18.0-179.7-101.0 124.8 -7.1 1.0 30.7 77 80 A F E -CD 31 63A 16 -46,-2.2 -46,-1.7 -2,-0.5 -14,-0.2 -0.867 37.6 -96.7-123.5 155.4 -3.8 0.1 29.0 78 81 A E E -C 30 0A 53 -16,-2.1 2,-0.3 -2,-0.3 -48,-0.1 -0.467 53.4-116.2 -64.9 141.8 -0.6 -1.7 30.1 79 82 A F - 0 0 44 -50,-0.6 2,-0.3 -2,-0.1 -1,-0.1 -0.665 30.8-173.2 -89.4 138.3 1.9 1.0 30.9 80 83 A L - 0 0 15 -2,-0.3 53,-0.2 53,-0.1 3,-0.1 -0.912 27.6-123.2-123.0 154.9 5.1 1.7 29.1 81 84 A H S S+ 0 0 91 51,-0.5 2,-0.3 -2,-0.3 52,-0.1 0.566 80.0 11.9 -82.3 -7.0 7.8 4.2 30.2 82 85 A Q E -F 132 0B 9 50,-0.8 50,-2.3 211,-0.0 2,-0.2 -0.961 61.6-129.1-165.3 144.6 8.2 6.5 27.2 83 86 A D E > -F 131 0B 33 -2,-0.3 4,-1.6 48,-0.2 3,-0.3 -0.575 36.0-113.0 -89.1 163.5 6.6 7.4 23.9 84 87 A L H > S+ 0 0 0 46,-2.3 4,-1.5 43,-1.3 44,-0.2 0.732 111.7 64.9 -68.9 -23.2 8.9 7.5 20.9 85 88 A K H > S+ 0 0 55 42,-0.9 4,-1.9 45,-0.2 -1,-0.2 0.907 104.3 42.6 -67.4 -43.2 8.5 11.3 20.6 86 89 A K H > S+ 0 0 117 -3,-0.3 4,-2.5 1,-0.2 5,-0.3 0.968 112.5 54.6 -67.0 -49.8 10.2 12.1 23.9 87 90 A F H < S+ 0 0 10 -4,-1.6 4,-0.3 1,-0.3 -1,-0.2 0.801 107.9 50.9 -53.3 -32.1 12.9 9.5 23.1 88 91 A M H >< S+ 0 0 13 -4,-1.5 3,-1.0 2,-0.2 4,-0.3 0.921 109.3 48.7 -72.5 -43.3 13.5 11.2 19.8 89 92 A D H >< S+ 0 0 95 -4,-1.9 3,-0.8 1,-0.3 4,-0.2 0.857 109.5 53.0 -64.7 -32.9 13.9 14.7 21.4 90 93 A A T 3< S+ 0 0 72 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.618 112.8 45.4 -75.8 -11.2 16.3 13.1 24.0 91 94 A S T <> S+ 0 0 8 -3,-1.0 4,-3.6 -4,-0.3 -1,-0.2 0.322 78.9 112.0-109.4 2.4 18.3 11.8 21.0 92 95 A A T <4 S+ 0 0 48 -3,-0.8 -2,-0.1 -4,-0.3 -1,-0.1 0.779 86.8 33.7 -47.2 -34.1 18.2 15.1 19.1 93 96 A L T 4 S+ 0 0 161 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.783 131.3 29.4 -95.1 -31.8 21.9 15.6 19.5 94 97 A T T 4 S- 0 0 113 -4,-0.2 -2,-0.2 -3,-0.1 -3,-0.1 0.774 95.9-142.5 -98.2 -34.1 23.2 12.0 19.4 95 98 A G < - 0 0 10 -4,-3.6 99,-0.1 -7,-0.2 -3,-0.1 0.058 29.1 -73.3 85.1 159.8 20.7 10.3 17.2 96 99 A I - 0 0 17 97,-0.6 -8,-0.0 98,-0.1 5,-0.0 -0.750 52.9-109.3 -91.1 135.8 19.4 6.8 17.7 97 100 A P >> - 0 0 78 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.350 23.8-122.0 -62.2 143.8 21.8 3.9 16.8 98 101 A L H 3> S+ 0 0 65 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.825 109.4 59.1 -57.6 -35.9 20.9 2.0 13.6 99 102 A P H 3> S+ 0 0 67 0, 0.0 4,-2.1 0, 0.0 188,-0.3 0.897 109.3 44.7 -63.3 -35.2 20.7 -1.3 15.4 100 103 A L H <> S+ 0 0 8 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.902 112.8 49.9 -73.3 -40.5 18.0 0.0 17.7 101 104 A I H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.954 110.7 51.5 -62.3 -45.3 16.1 1.7 14.9 102 105 A K H X S+ 0 0 15 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.936 111.7 46.1 -56.6 -50.7 16.2 -1.6 12.9 103 106 A S H X S+ 0 0 3 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.937 110.5 52.0 -57.6 -52.8 14.8 -3.6 15.9 104 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.901 111.0 48.8 -51.9 -44.7 12.0 -1.1 16.6 105 108 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.894 110.4 51.4 -62.6 -40.9 11.0 -1.3 13.0 106 109 A F H X S+ 0 0 47 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.943 113.6 43.1 -63.1 -46.3 11.1 -5.1 13.0 107 110 A Q H X S+ 0 0 13 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.910 111.8 53.8 -66.2 -42.0 8.9 -5.3 16.1 108 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.879 109.8 48.0 -61.1 -39.3 6.5 -2.6 14.9 109 112 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -1,-0.3 0.781 107.5 57.2 -72.8 -25.2 6.0 -4.5 11.7 110 113 A Q H X S+ 0 0 70 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.962 109.1 44.1 -69.6 -47.5 5.4 -7.7 13.7 111 114 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.922 114.8 50.3 -60.5 -42.7 2.6 -6.1 15.6 112 115 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.929 107.6 52.4 -61.1 -45.8 1.2 -4.6 12.3 113 116 A A H X S+ 0 0 19 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.949 112.7 46.5 -55.7 -49.4 1.4 -8.0 10.5 114 117 A F H < S+ 0 0 48 -4,-2.4 4,-0.4 2,-0.2 -2,-0.2 0.945 114.6 44.5 -57.8 -53.9 -0.6 -9.5 13.4 115 118 A C H ><>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 3,-1.1 0.907 113.8 51.3 -58.8 -44.0 -3.3 -6.7 13.6 116 119 A H H ><5S+ 0 0 27 -4,-3.0 3,-2.6 1,-0.2 -1,-0.2 0.912 101.5 59.4 -63.6 -41.2 -3.6 -6.7 9.8 117 120 A S T 3<5S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.561 106.7 50.4 -66.8 -3.8 -4.2 -10.5 9.5 118 121 A H T < 5S- 0 0 90 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.127 125.1-105.6-113.7 14.2 -7.2 -10.0 11.8 119 122 A R T < 5S+ 0 0 195 -3,-2.6 2,-0.5 1,-0.2 -3,-0.2 0.825 78.2 135.3 65.4 34.1 -8.5 -7.2 9.6 120 123 A V < - 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