==== 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 1PXI . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.Y.WU,I.MCNAE,G.KONTOPIDIS,S.J.MCCLUE,C.MCINNES, . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 63.9 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 . 25 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 25.5 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 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 . 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 57 0, 0.0 3,-1.7 0, 0.0 66,-0.0 0.000 360.0 360.0 360.0 131.0 26.5 56.8 23.2 2 2 A E T 3 + 0 0 140 1,-0.3 22,-0.1 3,-0.1 0, 0.0 0.687 360.0 64.9 -63.7 -19.9 26.4 60.5 22.4 3 3 A N T 3 S+ 0 0 69 20,-0.1 21,-2.0 21,-0.1 2,-0.4 0.478 96.1 70.3 -83.4 -2.3 24.1 59.9 19.4 4 4 A F E < -A 23 0A 24 -3,-1.7 2,-0.8 19,-0.2 19,-0.2 -0.945 65.2-148.7-125.3 141.5 21.3 58.7 21.7 5 5 A Q E -A 22 0A 97 17,-2.0 2,-1.1 -2,-0.4 17,-1.0 -0.860 21.9-140.5-103.7 98.4 18.9 60.3 24.1 6 6 A K E +A 21 0A 117 -2,-0.8 15,-0.2 15,-0.2 3,-0.1 -0.426 27.3 175.0 -61.4 97.1 18.1 57.8 26.8 7 7 A V E - 0 0 60 13,-1.3 2,-0.3 -2,-1.1 -1,-0.2 0.785 61.0 -12.2 -76.7 -28.5 14.4 58.7 27.2 8 8 A E E -A 20 0A 118 12,-1.8 12,-3.5 -3,-0.1 2,-0.6 -0.964 61.2-110.1-171.6 151.6 13.7 55.9 29.7 9 9 A K E -A 19 0A 102 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.798 27.2-171.9 -87.9 118.6 14.9 52.7 31.3 10 10 A I E - 0 0 69 8,-2.2 2,-0.3 -2,-0.6 9,-0.2 0.913 51.3 -76.6 -77.8 -44.7 12.8 49.8 30.0 11 11 A G E -A 18 0A 25 7,-1.5 7,-2.3 5,-0.0 2,-0.6 -0.981 54.2 -54.2 173.8-164.9 14.1 47.2 32.3 12 12 A E E -A 17 0A 87 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.919 51.7-161.8-105.8 118.7 16.9 44.7 33.2 13 13 A G - 0 0 15 3,-2.7 143,-0.3 -2,-0.6 5,-0.0 -0.364 36.3 -96.0 -93.3 177.0 17.8 42.5 30.3 14 14 A T S S+ 0 0 17 1,-0.2 142,-0.3 141,-0.1 3,-0.1 0.855 125.0 28.3 -59.0 -35.1 19.8 39.2 30.3 15 15 A Y S S- 0 0 12 1,-0.3 21,-2.5 140,-0.1 2,-0.3 0.554 129.3 -52.6-105.6 -11.4 23.0 41.0 29.5 16 16 A G S S- 0 0 6 19,-0.2 -3,-2.7 141,-0.0 -1,-0.3 -0.985 83.0 -23.4 163.8-170.6 22.5 44.5 31.0 17 17 A V E -A 12 0A 20 -2,-0.3 17,-1.9 -5,-0.2 2,-0.5 -0.379 50.3-149.9 -68.2 143.9 20.2 47.5 31.2 18 18 A V E -AB 11 33A 16 -7,-2.3 -8,-2.2 15,-0.2 -7,-1.5 -0.978 16.8-170.4-117.7 121.7 17.8 48.1 28.3 19 19 A Y E -AB 9 32A 38 13,-3.0 13,-3.3 -2,-0.5 2,-0.5 -0.829 25.0-131.3-114.3 151.3 16.9 51.7 27.5 20 20 A K E +AB 8 31A 51 -12,-3.5 -12,-1.8 -2,-0.3 -13,-1.3 -0.871 44.9 171.9 -93.5 129.5 14.4 53.3 25.2 21 21 A A E -AB 6 30A 0 9,-2.7 9,-3.5 -2,-0.5 2,-0.4 -0.929 31.3-131.9-140.7 165.1 16.3 55.9 23.3 22 22 A R E -AB 5 29A 99 -17,-1.0 -17,-2.0 -2,-0.3 2,-0.5 -0.975 20.4-130.4-122.6 128.7 16.0 58.4 20.4 23 23 A N E > -A 4 0A 29 5,-3.0 4,-2.5 -2,-0.4 -19,-0.2 -0.641 13.0-153.7 -76.0 122.2 18.6 58.8 17.6 24 24 A K T 4 S+ 0 0 145 -21,-2.0 -1,-0.2 -2,-0.5 -20,-0.1 0.894 91.6 48.0 -64.3 -40.3 19.4 62.5 17.3 25 25 A L T 4 S+ 0 0 142 -22,-0.3 -1,-0.2 1,-0.1 -21,-0.1 0.962 129.4 19.6 -65.4 -55.0 20.3 62.2 13.6 26 26 A T T 4 S- 0 0 104 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.730 92.0-136.1 -89.4 -25.7 17.3 60.1 12.4 27 27 A G < + 0 0 32 -4,-2.5 2,-0.1 1,-0.3 -3,-0.1 0.448 54.8 143.1 82.9 -0.6 15.0 60.9 15.3 28 28 A E - 0 0 113 -6,-0.1 -5,-3.0 -5,-0.1 2,-0.4 -0.460 51.4-124.3 -75.8 144.6 13.9 57.3 15.4 29 29 A V E +B 22 0A 34 -7,-0.2 50,-0.5 -2,-0.1 -7,-0.3 -0.750 38.4 174.5 -90.8 134.9 13.2 55.7 18.8 30 30 A V E -BC 21 78A 3 -9,-3.5 -9,-2.7 -2,-0.4 2,-0.6 -0.774 37.3-109.9-133.5 174.1 15.2 52.5 19.5 31 31 A A E -BC 20 77A 8 46,-2.5 46,-2.9 -2,-0.2 2,-0.5 -0.960 33.7-158.9-108.6 117.3 15.9 49.9 22.2 32 32 A L E -BC 19 76A 9 -13,-3.3 -13,-3.0 -2,-0.6 2,-0.5 -0.882 7.6-168.8-101.7 124.1 19.5 50.4 23.4 33 33 A K E -BC 18 75A 28 42,-2.7 42,-3.0 -2,-0.5 2,-0.4 -0.943 11.4-152.4-121.8 118.9 21.1 47.4 25.1 34 34 A K E - C 0 74A 71 -17,-1.9 2,-0.7 -2,-0.5 40,-0.2 -0.716 15.3-144.9 -84.8 130.0 24.3 47.5 27.0 35 35 A I E C 0 73A 12 38,-2.6 38,-0.6 -2,-0.4 -19,-0.2 -0.867 360.0 360.0-102.1 113.1 26.1 44.2 26.9 36 36 A R 0 0 118 -21,-2.5 -19,-0.2 -2,-0.7 -2,-0.1 -0.375 360.0 360.0 57.3 360.0 28.0 43.3 30.2 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 0 136 0, 0.0 -2,-0.0 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 -20.3 34.4 43.1 30.5 39 42 A E - 0 0 172 0, 0.0 32,-0.0 0, 0.0 0, 0.0 0.636 360.0 -58.5-112.0 -25.7 38.0 42.6 29.3 40 43 A G S S- 0 0 22 31,-0.1 31,-0.1 2,-0.0 32,-0.1 0.353 76.8 -91.7 157.4 5.6 37.7 44.1 25.8 41 44 A V - 0 0 31 30,-0.1 31,-0.0 32,-0.0 30,-0.0 0.874 46.2-105.6 62.9 108.5 35.0 42.1 24.0 42 45 A P >> - 0 0 81 0, 0.0 4,-1.7 0, 0.0 3,-0.5 -0.290 18.1-125.9 -63.4 145.3 36.3 39.1 22.0 43 46 A S H 3> S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.777 109.2 64.2 -61.8 -26.8 36.4 39.4 18.2 44 47 A T H 3> S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 102.5 46.1 -64.1 -44.0 34.4 36.2 18.0 45 48 A A H <> S+ 0 0 3 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.916 112.3 52.7 -64.5 -42.4 31.4 37.8 19.7 46 49 A I H X S+ 0 0 42 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.930 111.4 44.8 -58.3 -49.0 31.8 40.9 17.4 47 50 A R H X S+ 0 0 142 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.881 113.3 51.1 -64.6 -38.7 31.8 38.7 14.3 48 51 A E H X S+ 0 0 54 -4,-2.3 4,-0.9 2,-0.2 3,-0.4 0.954 111.8 46.4 -62.6 -51.1 28.8 36.7 15.5 49 52 A I H >X S+ 0 0 0 -4,-2.8 3,-1.0 1,-0.2 4,-0.6 0.896 107.6 56.8 -59.0 -43.7 26.7 39.8 16.3 50 53 A S H >< S+ 0 0 38 -4,-2.3 3,-1.0 1,-0.3 4,-0.4 0.848 100.3 58.5 -59.0 -34.4 27.6 41.4 13.0 51 54 A L H >< S+ 0 0 106 -4,-1.4 3,-1.2 -3,-0.4 4,-0.4 0.816 97.4 63.6 -64.7 -28.5 26.2 38.4 11.1 52 55 A L H X< S+ 0 0 11 -3,-1.0 3,-0.9 -4,-0.9 11,-0.3 0.741 84.0 73.7 -68.5 -23.5 22.9 39.0 12.9 53 56 A K T << S+ 0 0 71 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.765 98.8 48.5 -61.9 -23.2 22.4 42.4 11.2 54 57 A E T < S+ 0 0 145 -3,-1.2 2,-2.1 -4,-0.4 -1,-0.2 0.615 83.4 95.4 -91.4 -14.7 21.6 40.4 8.0 55 58 A L < + 0 0 16 -3,-0.9 2,-0.5 -4,-0.4 8,-0.2 -0.506 59.2 167.5 -78.4 76.7 19.1 38.1 9.7 56 59 A N + 0 0 70 -2,-2.1 5,-0.1 6,-0.1 -3,-0.0 -0.826 6.0 143.8-103.0 130.1 16.0 40.2 8.7 57 60 A H > - 0 0 47 -2,-0.5 3,-1.9 3,-0.4 5,-0.1 -0.982 55.5-113.1-157.6 149.0 12.4 39.0 9.0 58 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.767 117.1 46.8 -57.0 -27.8 9.0 40.6 9.9 59 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.4 48,-0.1 2,-0.4 0.130 99.0 81.3-104.2 22.2 8.7 38.5 13.1 60 63 A I B < S-e 140 0B 7 -3,-1.9 -3,-0.4 79,-0.3 2,-0.4 -0.994 87.5-113.9-128.6 126.3 12.3 39.1 14.3 61 64 A V - 0 0 9 79,-2.5 82,-0.2 -2,-0.4 81,-0.2 -0.446 43.2-117.9 -60.1 117.2 13.2 42.3 16.2 62 65 A K - 0 0 94 -2,-0.4 16,-2.5 -4,-0.1 2,-0.8 -0.360 12.7-137.2 -65.0 128.9 15.6 44.0 13.8 63 66 A L E -D 77 0A 11 -11,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.799 25.0-179.1 -85.9 110.0 19.2 44.6 14.9 64 67 A L E - 0 0 56 12,-2.4 2,-0.3 -2,-0.8 13,-0.2 0.904 55.3 -11.5 -80.2 -45.2 19.9 48.1 13.8 65 68 A D E -D 76 0A 92 11,-1.8 11,-3.4 2,-0.0 2,-0.5 -0.997 45.8-139.8-157.7 159.2 23.5 48.6 14.9 66 69 A V E -D 75 0A 32 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.983 22.3-166.6-122.7 115.6 26.4 47.3 16.9 67 70 A I E +D 74 0A 32 7,-3.2 7,-2.1 -2,-0.5 2,-0.6 -0.905 9.7 176.0-111.7 111.6 28.3 50.0 18.7 68 71 A H E +D 73 0A 75 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.937 20.2 141.9-115.9 109.3 31.7 49.1 20.2 69 72 A T E > +D 72 0A 57 3,-1.8 3,-1.3 -2,-0.6 -2,-0.0 -0.989 62.9 12.9-146.0 151.0 33.6 52.0 21.8 70 73 A E T 3 S- 0 0 149 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.845 130.5 -63.8 50.4 34.8 35.8 52.4 24.8 71 74 A N T 3 S+ 0 0 103 1,-0.2 2,-0.4 -31,-0.1 -1,-0.3 0.881 112.2 121.8 56.8 41.2 35.8 48.6 24.9 72 75 A K E < - D 0 69A 78 -3,-1.3 -3,-1.8 -32,-0.1 2,-0.5 -0.989 54.0-140.3-133.7 142.0 32.1 48.6 25.6 73 76 A L E +CD 35 68A 4 -38,-0.6 -38,-2.6 -2,-0.4 2,-0.4 -0.899 18.7 177.1-110.7 130.9 29.4 46.9 23.5 74 77 A Y E -CD 34 67A 42 -7,-2.1 -7,-3.2 -2,-0.5 2,-0.5 -0.998 14.5-153.6-129.6 129.6 25.9 48.4 22.8 75 78 A L E -CD 33 66A 0 -42,-3.0 -42,-2.7 -2,-0.4 2,-0.7 -0.909 5.9-152.4-107.0 130.0 23.3 46.8 20.6 76 79 A V E +CD 32 65A 5 -11,-3.4 -12,-2.4 -2,-0.5 -11,-1.8 -0.898 23.5 178.0-104.6 114.3 20.8 49.0 18.9 77 80 A F E -CD 31 63A 8 -46,-2.9 -46,-2.5 -2,-0.7 -14,-0.2 -0.757 37.7 -91.8-115.9 161.2 17.4 47.2 18.2 78 81 A E E -C 30 0A 50 -16,-2.5 2,-0.4 -2,-0.3 -48,-0.1 -0.382 51.0-124.7 -61.7 145.2 14.0 48.0 16.7 79 82 A F - 0 0 33 -50,-0.5 2,-0.4 -58,-0.0 -50,-0.1 -0.851 27.6-177.0-105.1 133.3 11.8 49.1 19.6 80 83 A L - 0 0 14 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.964 27.1-130.8-123.8 143.8 8.4 47.6 20.4 81 84 A H S S+ 0 0 95 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.582 78.5 15.8 -71.7 -14.4 6.1 48.9 23.2 82 85 A Q E -F 132 0B 27 50,-1.0 50,-3.0 211,-0.0 2,-0.2 -0.996 60.8-134.6-160.3 152.6 5.3 45.8 25.1 83 86 A D E > -F 131 0B 25 -2,-0.3 4,-1.9 48,-0.3 48,-0.2 -0.629 33.1-110.0-105.2 167.5 6.3 42.1 25.8 84 87 A L H > S+ 0 0 0 46,-2.6 4,-2.3 43,-1.0 5,-0.2 0.774 114.2 62.2 -66.3 -27.8 4.1 39.0 26.0 85 88 A K H > S+ 0 0 77 42,-1.0 4,-2.0 45,-0.2 -1,-0.2 0.961 108.3 40.7 -62.8 -51.3 4.8 38.7 29.7 86 89 A K H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.907 114.7 52.9 -63.6 -41.8 3.1 42.1 30.5 87 90 A F H < S+ 0 0 2 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.875 109.5 48.2 -62.7 -39.5 0.3 41.4 28.0 88 91 A M H >< S+ 0 0 18 -4,-2.3 3,-0.8 2,-0.2 -1,-0.2 0.903 111.2 50.5 -68.1 -40.0 -0.5 38.0 29.6 89 92 A D H >< S+ 0 0 94 -4,-2.0 3,-1.0 1,-0.2 4,-0.2 0.884 111.1 49.1 -63.7 -38.4 -0.5 39.6 33.0 90 93 A A T 3< S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.535 114.8 45.4 -78.5 -6.9 -2.9 42.3 31.8 91 94 A S T <> S+ 0 0 4 -3,-0.8 4,-3.2 -4,-0.5 3,-0.4 0.135 78.1 111.5-120.0 17.0 -5.2 39.7 30.2 92 95 A A T <4 + 0 0 49 -3,-1.0 -2,-0.1 1,-0.2 -1,-0.1 0.861 69.7 59.9 -60.2 -40.6 -5.3 37.3 33.1 93 96 A L T 4 S+ 0 0 164 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.874 128.4 10.6 -58.5 -40.9 -8.9 37.9 34.0 94 97 A T T 4 S- 0 0 108 -3,-0.4 -2,-0.2 3,-0.0 -1,-0.2 0.575 103.1-130.6-114.1 -16.2 -10.2 36.8 30.6 95 98 A G < - 0 0 7 -4,-3.2 -3,-0.1 -7,-0.2 99,-0.1 0.242 41.2 -58.7 77.1 151.0 -7.1 35.2 29.1 96 99 A I - 0 0 12 97,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.485 66.1-104.1 -66.3 128.4 -5.9 36.0 25.6 97 100 A P >> - 0 0 66 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.256 27.2-121.4 -54.0 137.3 -8.6 35.1 23.0 98 101 A L H 3> S+ 0 0 69 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.852 110.8 58.6 -50.3 -41.8 -7.7 31.9 21.2 99 102 A P H 3> S+ 0 0 68 0, 0.0 4,-1.9 0, 0.0 188,-0.4 0.893 109.8 44.0 -58.2 -37.4 -7.7 33.6 17.7 100 103 A L H <> S+ 0 0 5 -3,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.856 111.1 53.9 -74.5 -35.7 -5.0 35.9 19.0 101 104 A I H X S+ 0 0 4 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.940 111.2 46.1 -62.3 -45.6 -3.1 33.1 20.6 102 105 A K H X S+ 0 0 10 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.898 111.8 51.5 -63.8 -41.6 -3.1 31.2 17.3 103 106 A S H X S+ 0 0 2 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.930 112.2 46.2 -61.5 -46.3 -2.0 34.3 15.4 104 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.923 114.1 46.8 -63.1 -45.3 0.9 34.9 17.8 105 108 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.898 111.8 52.9 -63.1 -38.8 2.0 31.3 17.7 106 109 A F H X S+ 0 0 58 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.919 113.3 42.3 -62.0 -46.0 1.7 31.3 13.9 107 110 A Q H X S+ 0 0 15 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.884 112.3 53.8 -69.8 -40.2 3.9 34.4 13.6 108 111 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.917 107.7 50.9 -60.6 -44.0 6.4 33.1 16.2 109 112 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.838 107.1 53.9 -63.1 -34.4 6.8 29.9 14.2 110 113 A Q H X S+ 0 0 61 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.896 109.3 49.0 -66.7 -38.8 7.5 31.9 11.0 111 114 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.917 113.1 45.9 -65.9 -43.7 10.2 33.8 12.8 112 115 A L H X S+ 0 0 0 -4,-2.4 4,-3.5 1,-0.2 5,-0.3 0.933 110.0 54.4 -64.1 -45.2 11.8 30.6 14.1 113 116 A A H X S+ 0 0 24 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.902 109.9 48.1 -55.9 -43.1 11.5 28.9 10.7 114 117 A F H X S+ 0 0 43 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.959 116.2 41.1 -63.2 -52.9 13.4 31.8 9.2 115 118 A C H ><>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 3,-0.9 0.911 114.2 53.1 -62.4 -43.0 16.2 31.9 11.8 116 119 A H H ><5S+ 0 0 26 -4,-3.5 3,-1.7 1,-0.3 -1,-0.2 0.820 101.6 58.9 -62.9 -33.0 16.4 28.1 11.9 117 120 A S H 3<5S+ 0 0 73 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.749 107.7 48.0 -68.7 -21.5 16.8 27.9 8.1 118 121 A H T <<5S- 0 0 91 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.167 121.3-112.7-100.4 15.8 19.9 30.1 8.6 119 122 A R T < 5S+ 0 0 198 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.750 72.7 137.6 59.6 28.7 21.1 27.8 11.4 120 123 A V < - 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