==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-JUN-06 2DS1 . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.IKUTA . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14449.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 61.0 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 . 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 . 16 5.5 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 3 1 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 78 0, 0.0 3,-2.2 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 122.8 -21.9 12.7 26.8 2 2 A E T 3 + 0 0 161 1,-0.3 22,-0.1 3,-0.0 0, 0.0 0.793 360.0 62.0 -50.0 -37.2 -25.5 13.8 26.7 3 3 A N T 3 S+ 0 0 60 20,-0.1 21,-2.3 21,-0.1 22,-0.5 0.492 101.8 62.0 -72.8 -2.8 -24.8 16.6 24.2 4 4 A F E < -A 23 0A 24 -3,-2.2 2,-0.4 19,-0.2 19,-0.2 -0.890 58.8-159.0-127.9 157.3 -23.6 14.1 21.6 5 5 A Q E -A 22 0A 87 17,-1.3 17,-2.2 -2,-0.3 2,-0.1 -0.978 26.4-126.6-134.1 118.0 -25.0 11.1 19.6 6 6 A K E -A 21 0A 102 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.424 24.0-179.5 -65.7 132.5 -22.6 8.6 18.0 7 7 A V E - 0 0 69 13,-3.2 2,-0.3 1,-0.4 14,-0.2 0.794 65.0 -31.2 -97.8 -41.9 -23.1 8.1 14.3 8 8 A E E -A 20 0A 97 12,-1.6 12,-3.1 0, 0.0 2,-0.9 -0.961 58.8 -97.7-173.2 156.8 -20.4 5.5 13.8 9 9 A K E +A 19 0A 104 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.748 38.9 176.5 -84.6 105.8 -17.0 4.2 15.0 10 10 A I E - 0 0 71 8,-1.1 2,-0.3 -2,-0.9 9,-0.2 0.564 56.0 -27.0 -90.1 -8.9 -14.6 5.7 12.5 11 11 A G E -A 18 0A 27 7,-1.5 7,-2.3 9,-0.0 2,-0.4 -0.995 50.3-109.6 178.2-179.7 -11.4 4.5 14.0 12 12 A E E -A 17 0A 79 -2,-0.3 5,-0.2 5,-0.2 141,-0.1 -0.833 33.6-165.7-138.9 96.2 -9.3 3.5 16.9 13 13 A G - 0 0 25 3,-1.4 139,-0.3 -2,-0.4 5,-0.1 0.141 39.9 -91.8 -66.6-169.9 -6.6 5.9 17.9 14 14 A T S S+ 0 0 16 1,-0.1 138,-0.8 137,-0.1 139,-0.1 0.861 123.5 34.0 -73.9 -37.5 -3.7 5.1 20.3 15 15 A Y S S- 0 0 29 1,-0.2 2,-0.3 136,-0.1 -1,-0.1 0.660 126.8 -34.0 -94.6 -22.2 -5.5 6.2 23.4 16 16 A G S S- 0 0 5 19,-0.2 -3,-1.4 137,-0.0 -1,-0.2 -0.991 76.4 -49.9-179.4-177.9 -9.1 5.2 22.7 17 17 A V E -A 12 0A 20 -2,-0.3 17,-2.5 -5,-0.2 2,-0.5 -0.396 44.1-146.5 -73.5 151.0 -12.0 4.7 20.3 18 18 A V E -AB 11 33A 25 -7,-2.3 -7,-1.5 15,-0.2 -8,-1.1 -0.984 16.2-171.6-123.5 125.2 -12.9 7.5 17.9 19 19 A Y E -AB 9 32A 49 13,-3.2 13,-3.7 -2,-0.5 2,-0.5 -0.855 26.0-131.5-117.5 150.9 -16.5 8.1 16.8 20 20 A K E +AB 8 31A 50 -12,-3.1 -13,-3.2 -2,-0.3 -12,-1.6 -0.855 46.6 167.5 -91.9 133.3 -18.1 10.3 14.3 21 21 A A E -AB 6 30A 1 9,-2.6 9,-3.0 -2,-0.5 2,-0.4 -0.957 34.0-120.0-146.9 164.4 -20.9 12.0 16.2 22 22 A R E -AB 5 29A 98 -17,-2.2 -17,-1.3 -2,-0.3 2,-0.7 -0.923 20.4-130.5-113.9 133.3 -23.4 14.8 16.0 23 23 A N E > -A 4 0A 17 5,-3.0 4,-1.8 -2,-0.4 -19,-0.2 -0.703 12.1-156.5 -78.9 115.3 -23.6 17.8 18.4 24 24 A K T 4 S+ 0 0 130 -21,-2.3 -1,-0.2 -2,-0.7 -20,-0.1 0.785 90.8 49.6 -64.4 -24.4 -27.3 18.0 19.4 25 25 A L T 4 S+ 0 0 123 -22,-0.5 -1,-0.1 1,-0.1 -21,-0.1 0.989 125.6 19.2 -75.3 -69.8 -26.6 21.7 20.3 26 26 A T T 4 S- 0 0 103 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.492 94.4-129.3 -82.6 -6.1 -24.8 23.1 17.2 27 27 A G < + 0 0 42 -4,-1.8 2,-0.2 1,-0.2 -3,-0.1 0.555 60.0 144.7 68.2 6.9 -25.9 20.4 14.8 28 28 A E - 0 0 109 -5,-0.1 -5,-3.0 -6,-0.1 2,-0.3 -0.527 50.3-129.0 -82.5 142.2 -22.3 20.0 13.8 29 29 A V E +B 22 0A 39 -7,-0.2 46,-0.6 -2,-0.2 2,-0.3 -0.695 39.7 169.6 -86.8 143.2 -20.8 16.6 13.0 30 30 A V E -BC 21 74A 2 -9,-3.0 -9,-2.6 -2,-0.3 2,-0.6 -0.901 40.3-105.1-148.8 171.6 -17.6 16.0 14.8 31 31 A A E -BC 20 73A 13 42,-3.1 42,-3.0 -2,-0.3 2,-0.6 -0.935 34.4-160.3-106.6 114.8 -14.9 13.4 15.8 32 32 A L E -BC 19 72A 6 -13,-3.7 -13,-3.2 -2,-0.6 2,-0.5 -0.862 5.3-164.8-101.5 122.5 -15.3 12.2 19.4 33 33 A K E -BC 18 71A 14 38,-2.7 38,-2.7 -2,-0.6 2,-0.4 -0.921 7.5-152.5-113.2 127.7 -12.3 10.6 21.0 34 34 A K E C 0 70A 56 -17,-2.5 36,-0.2 -2,-0.5 -21,-0.1 -0.808 360.0 360.0 -95.6 132.7 -12.5 8.6 24.2 35 35 A I 0 0 51 34,-2.4 34,-0.7 -2,-0.4 -19,-0.2 -0.920 360.0 360.0-112.9 360.0 -9.3 8.6 26.3 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 72 0, 0.0 31,-0.1 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 101.1 -7.5 11.8 35.0 38 45 A P > - 0 0 85 0, 0.0 4,-1.5 0, 0.0 3,-0.5 -0.220 360.0-123.8 -57.5 142.6 -4.2 13.3 36.3 39 46 A S H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.832 107.9 61.6 -56.8 -35.4 -4.1 17.1 36.6 40 47 A T H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 102.9 47.7 -59.9 -45.5 -1.0 17.2 34.3 41 48 A A H > S+ 0 0 2 -3,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.883 110.5 54.8 -63.7 -37.2 -2.7 15.7 31.3 42 49 A I H X S+ 0 0 39 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.919 108.7 45.6 -62.3 -47.0 -5.6 18.2 31.8 43 50 A R H X S+ 0 0 144 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.903 114.3 50.8 -63.2 -40.8 -3.4 21.2 31.8 44 51 A E H X S+ 0 0 52 -4,-2.1 4,-1.1 2,-0.2 3,-0.3 0.930 109.4 48.0 -61.7 -51.3 -1.6 19.8 28.7 45 52 A I H >X S+ 0 0 0 -4,-2.7 4,-0.6 1,-0.2 3,-0.6 0.889 108.2 56.2 -58.5 -41.2 -4.7 19.1 26.7 46 53 A S H >< S+ 0 0 40 -4,-1.9 3,-1.0 1,-0.3 4,-0.3 0.848 99.9 58.8 -61.3 -34.5 -6.1 22.6 27.5 47 54 A L H >X S+ 0 0 92 -4,-1.4 3,-1.3 -3,-0.3 4,-0.5 0.858 99.1 60.9 -62.0 -33.0 -2.9 24.1 26.0 48 55 A L H << S+ 0 0 13 -4,-1.1 3,-0.5 -3,-0.6 11,-0.3 0.720 87.5 71.2 -66.9 -23.4 -3.9 22.4 22.7 49 56 A K T << S+ 0 0 78 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.642 102.0 45.9 -68.2 -14.4 -7.2 24.2 22.5 50 57 A E T <4 S+ 0 0 145 -3,-1.3 2,-1.6 -4,-0.3 -1,-0.2 0.586 86.9 85.8-105.5 -14.9 -5.2 27.4 21.6 51 58 A L < + 0 0 23 -4,-0.5 2,-0.4 -3,-0.5 -1,-0.1 -0.636 62.3 167.0 -91.1 84.5 -2.7 26.1 19.0 52 59 A N + 0 0 70 -2,-1.6 5,-0.1 6,-0.1 6,-0.0 -0.803 6.8 154.2-102.0 137.9 -4.9 26.5 16.0 53 60 A H > - 0 0 43 3,-0.4 3,-1.9 -2,-0.4 54,-0.0 -0.963 51.9-113.9-158.6 147.2 -3.7 26.4 12.5 54 61 A P T 3 S+ 0 0 94 0, 0.0 4,-0.1 0, 0.0 53,-0.0 0.803 117.9 49.8 -55.5 -31.4 -5.4 25.4 9.1 55 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.6 48,-0.1 2,-0.4 0.113 98.0 78.7 -98.6 22.7 -3.1 22.4 8.9 56 63 A I B < S-e 136 0B 9 -3,-1.9 -3,-0.4 79,-0.3 2,-0.2 -0.999 91.6-111.1-127.9 127.4 -3.8 21.1 12.4 57 64 A V - 0 0 11 79,-3.0 2,-0.2 -2,-0.4 82,-0.1 -0.414 44.3-114.0 -59.6 124.1 -7.0 19.3 13.1 58 65 A K - 0 0 108 -2,-0.2 16,-2.6 -4,-0.1 2,-0.9 -0.419 15.2-142.4 -69.4 129.3 -9.0 21.6 15.3 59 66 A L E -D 73 0A 12 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.819 22.3-179.4 -89.9 106.7 -9.7 20.7 18.9 60 67 A L E - 0 0 55 12,-1.9 2,-0.3 -2,-0.9 13,-0.2 0.942 57.1 -9.5 -74.0 -52.7 -13.2 22.0 19.5 61 68 A D E -D 72 0A 80 11,-1.6 11,-2.7 2,-0.0 2,-0.5 -0.973 49.6-141.6-148.9 161.1 -13.9 21.0 23.1 62 69 A V E -D 71 0A 34 -2,-0.3 2,-0.8 9,-0.2 9,-0.2 -0.972 17.0-163.8-127.5 113.5 -12.5 19.0 26.0 63 70 A I E +D 70 0A 32 7,-2.7 7,-1.7 -2,-0.5 2,-0.9 -0.840 10.9 177.0-106.0 102.2 -15.1 17.2 28.1 64 71 A H E +D 69 0A 87 -2,-0.8 2,-0.4 5,-0.2 5,-0.2 -0.835 26.3 148.2-102.3 93.2 -13.8 16.1 31.5 65 72 A T E > -D 68 0A 36 -2,-0.9 3,-0.5 3,-0.8 -2,-0.1 -0.983 58.7 -1.2-133.3 142.8 -16.9 14.6 33.1 66 73 A E T 3 S- 0 0 164 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.898 127.5 -56.8 46.3 52.6 -17.4 11.8 35.6 67 74 A N T 3 S+ 0 0 135 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.876 115.1 113.9 47.5 47.6 -13.7 11.0 35.7 68 75 A K E < - D 0 65A 92 -3,-0.5 -3,-0.8 -31,-0.1 2,-0.5 -0.952 58.0-138.1-140.5 156.3 -13.6 10.5 32.0 69 76 A L E + D 0 64A 6 -34,-0.7 -34,-2.4 -2,-0.3 2,-0.4 -0.970 20.1 174.1-125.5 121.4 -11.9 12.3 29.1 70 77 A Y E -CD 34 63A 33 -7,-1.7 -7,-2.7 -2,-0.5 2,-0.5 -0.989 14.2-158.0-124.0 128.4 -13.6 13.0 25.8 71 78 A L E -CD 33 62A 0 -38,-2.7 -38,-2.7 -2,-0.4 2,-0.7 -0.941 6.6-153.0-110.3 123.7 -11.9 15.1 23.1 72 79 A V E +CD 32 61A 1 -11,-2.7 -12,-1.9 -2,-0.5 -11,-1.6 -0.867 21.1 178.5 -98.8 116.2 -14.1 16.8 20.5 73 80 A F E -CD 31 59A 23 -42,-3.0 -42,-3.1 -2,-0.7 -14,-0.2 -0.833 37.2 -97.1-117.6 153.6 -12.4 17.4 17.2 74 81 A E E -C 30 0A 47 -16,-2.6 2,-0.4 -2,-0.3 -44,-0.2 -0.335 50.1-115.4 -60.8 150.7 -13.5 18.8 13.9 75 82 A H - 0 0 33 -46,-0.6 2,-0.4 -45,-0.0 -1,-0.1 -0.766 30.0-172.0 -95.9 137.5 -14.3 15.9 11.6 76 83 A V - 0 0 13 -2,-0.4 53,-0.1 1,-0.1 52,-0.1 -1.000 25.8-128.0-127.6 129.9 -12.2 15.3 8.4 77 84 A H S S+ 0 0 107 -2,-0.4 2,-0.3 50,-0.1 52,-0.1 0.832 74.2 1.4 -48.2 -54.6 -13.5 12.7 6.0 78 85 A Q E -F 128 0B 25 50,-1.4 50,-2.8 213,-0.0 2,-0.2 -0.940 61.9-119.6-141.7 165.3 -10.5 10.4 5.5 79 86 A D E > -F 127 0B 38 -2,-0.3 4,-1.5 48,-0.2 48,-0.2 -0.501 29.8-114.8 -95.7 166.7 -6.9 9.8 6.4 80 87 A L H > S+ 0 0 0 46,-2.4 4,-2.9 43,-1.1 44,-0.2 0.828 110.9 62.3 -69.5 -35.3 -3.8 9.7 4.1 81 88 A K H > S+ 0 0 61 42,-0.8 4,-2.6 45,-0.3 5,-0.3 0.969 105.5 46.5 -55.1 -54.6 -3.1 6.0 4.7 82 89 A T H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.911 114.1 48.4 -53.0 -47.5 -6.5 5.1 3.1 83 90 A F H X S+ 0 0 7 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.868 111.1 50.8 -62.4 -39.2 -5.8 7.5 0.2 84 91 A M H < S+ 0 0 19 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.920 111.0 47.1 -65.1 -47.1 -2.3 6.0 -0.3 85 92 A D H >< S+ 0 0 90 -4,-2.6 3,-1.4 1,-0.2 4,-0.2 0.910 112.0 51.2 -61.0 -43.3 -3.5 2.4 -0.4 86 93 A A H 3< S+ 0 0 82 -4,-2.2 3,-0.4 1,-0.3 -1,-0.2 0.793 110.4 49.9 -64.1 -30.0 -6.3 3.4 -2.8 87 94 A S T 3X S+ 0 0 20 -4,-1.4 4,-1.9 1,-0.2 -1,-0.3 -0.021 76.4 112.4 -98.6 29.0 -3.7 5.2 -5.1 88 95 A A T <4 S+ 0 0 54 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.836 72.7 53.9 -69.9 -33.4 -1.4 2.1 -5.1 89 96 A L T 4 S+ 0 0 160 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.918 130.6 9.0 -68.7 -46.6 -2.0 1.5 -8.8 90 97 A T T 4 S- 0 0 112 3,-0.0 -2,-0.2 0, 0.0 -1,-0.1 0.603 100.7-132.5-111.0 -16.8 -1.1 4.9 -10.2 91 98 A G < - 0 0 7 -4,-1.9 -3,-0.1 -7,-0.2 99,-0.1 0.277 37.1 -61.4 77.9 151.3 0.3 6.7 -7.2 92 99 A I - 0 0 12 97,-0.5 5,-0.1 1,-0.1 100,-0.0 -0.524 65.8-107.3 -67.9 125.4 -0.5 10.2 -5.9 93 100 A P >> - 0 0 80 0, 0.0 4,-1.9 0, 0.0 3,-1.1 -0.245 26.7-116.8 -55.2 141.9 0.4 12.6 -8.7 94 101 A L H 3> S+ 0 0 68 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.851 111.0 60.0 -48.9 -45.8 3.5 14.6 -7.8 95 102 A P H 3> S+ 0 0 71 0, 0.0 4,-1.5 0, 0.0 188,-0.4 0.872 110.1 43.3 -53.3 -37.8 1.8 18.0 -7.7 96 103 A L H <> S+ 0 0 5 -3,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.857 111.4 53.6 -75.4 -38.4 -0.5 16.8 -4.9 97 104 A I H X S+ 0 0 5 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.944 111.1 46.7 -60.8 -47.4 2.4 15.1 -3.1 98 105 A K H X S+ 0 0 14 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.881 112.0 51.4 -62.0 -39.6 4.3 18.4 -3.1 99 106 A S H X S+ 0 0 3 -4,-1.5 4,-2.3 -5,-0.3 -2,-0.2 0.913 110.7 47.3 -64.2 -45.5 1.2 20.3 -2.0 100 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.930 113.0 48.9 -62.5 -44.3 0.6 17.9 1.0 101 108 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.919 110.9 50.7 -60.4 -45.0 4.3 18.1 2.0 102 109 A F H X S+ 0 0 53 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.905 112.8 45.6 -58.7 -46.8 4.2 21.9 1.8 103 110 A Q H X S+ 0 0 8 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.868 111.7 51.4 -66.0 -40.7 1.1 22.1 4.0 104 111 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.908 107.8 53.1 -63.6 -42.5 2.4 19.6 6.5 105 112 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.840 108.2 50.9 -61.5 -34.3 5.6 21.6 6.8 106 113 A Q H X S+ 0 0 65 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.927 110.2 49.2 -69.0 -43.5 3.6 24.7 7.5 107 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.886 114.4 45.3 -61.3 -39.8 1.6 22.9 10.2 108 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.907 108.8 55.5 -70.2 -43.0 4.9 21.7 11.8 109 116 A A H X S+ 0 0 23 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.907 110.2 47.6 -56.7 -41.5 6.5 25.1 11.6 110 117 A F H X S+ 0 0 48 -4,-2.2 4,-0.9 2,-0.2 3,-0.3 0.966 115.3 43.1 -63.5 -53.7 3.6 26.5 13.5 111 118 A C H ><>S+ 0 0 2 -4,-2.1 5,-2.7 1,-0.2 3,-0.6 0.888 114.3 50.3 -58.9 -44.4 3.6 23.8 16.2 112 119 A H H ><5S+ 0 0 26 -4,-3.3 3,-1.3 1,-0.2 -1,-0.2 0.792 102.3 61.6 -66.5 -29.0 7.4 23.8 16.5 113 120 A S H 3<5S+ 0 0 71 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.781 107.8 44.7 -68.0 -26.6 7.4 27.6 16.9 114 121 A H T <<5S- 0 0 93 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.187 121.5-110.2 -99.9 14.8 5.3 27.1 20.1 115 122 A R T < 5S+ 0 0 186 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.757 74.2 135.2 63.8 29.0 7.6 24.3 21.2 116 123 A V < - 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