==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-FEB-01 1GIH . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.IKUTA,S.NISHIMURA . 276 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14089.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 65.2 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 . 38 13.8 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 . 1 0.4 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 . 22 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 26.4 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+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 1 1 0 0 0 1 1 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 . 1 1 1 0 2 2 0 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 53 0, 0.0 3,-1.4 0, 0.0 2,-0.9 0.000 360.0 360.0 360.0 172.2 5.4 -2.2 40.0 2 2 A E T 3 + 0 0 127 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.091 360.0 52.3 -78.7 39.8 4.5 -5.8 40.6 3 3 A N T 3 S+ 0 0 47 -2,-0.9 21,-3.0 1,-0.2 2,-0.4 0.346 96.5 73.3-146.4 -11.5 1.9 -5.6 37.8 4 4 A F E < -A 23 0A 19 -3,-1.4 2,-0.7 19,-0.2 19,-0.2 -0.947 61.0-149.7-122.5 131.3 3.9 -4.3 34.9 5 5 A Q E -A 22 0A 109 17,-2.0 17,-2.0 -2,-0.4 2,-0.9 -0.863 27.5-137.2 -90.8 115.1 6.4 -6.0 32.7 6 6 A K E -A 21 0A 114 -2,-0.7 15,-0.2 15,-0.2 3,-0.1 -0.707 24.9-179.9 -79.4 106.2 8.7 -3.1 31.7 7 7 A V E - 0 0 66 13,-1.3 2,-0.3 -2,-0.9 14,-0.2 0.936 60.6 -26.3 -71.5 -46.8 9.5 -3.5 28.0 8 8 A E E -A 20 0A 108 12,-1.6 12,-2.9 0, 0.0 2,-0.5 -0.983 58.4-102.0-166.8 154.6 11.8 -0.5 27.6 9 9 A K E +A 19 0A 97 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.697 35.5 169.1 -82.4 127.3 12.7 3.0 28.8 10 10 A I E + 0 0 81 8,-2.0 2,-0.3 -2,-0.5 9,-0.2 0.577 57.4 7.9-112.2 -17.2 11.3 5.7 26.6 11 11 A G E +A 18 0A 22 7,-1.8 7,-2.3 2,-0.0 -1,-0.2 -0.968 43.7 176.8-160.1 170.8 11.9 8.8 28.6 12 12 A E + 0 0 122 -2,-0.3 3,-0.1 5,-0.3 4,-0.1 -0.651 21.3 135.6-150.0-156.3 13.4 10.7 31.5 13 13 A G > - 0 0 40 -2,-0.2 3,-1.7 1,-0.2 2,-1.0 0.551 69.1 -37.7 102.2 118.8 13.4 14.3 32.6 14 14 A T T 3 S+ 0 0 123 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.178 131.8 33.3 43.6 -80.9 12.9 16.2 35.8 15 15 A Y T 3 S- 0 0 86 -2,-1.0 21,-3.0 1,-0.2 2,-0.3 0.915 122.2 -48.8 -71.9 -42.2 10.1 14.3 37.4 16 16 A G < - 0 0 6 -3,-1.7 -1,-0.2 19,-0.2 19,-0.2 -0.967 51.2 -74.7 175.3 165.3 10.9 10.8 36.3 17 17 A V - 0 0 26 17,-0.4 17,-2.1 -2,-0.3 2,-0.4 -0.447 42.4-148.8 -70.9 141.4 11.8 8.0 33.9 18 18 A V E -AB 11 33A 25 -7,-2.3 -8,-2.0 15,-0.2 -7,-1.8 -0.884 13.1-163.0-114.8 146.6 9.0 6.8 31.6 19 19 A Y E -AB 9 32A 41 13,-1.8 13,-2.8 -2,-0.4 2,-0.5 -0.978 26.1-127.0-132.5 149.5 8.6 3.3 30.4 20 20 A K E +AB 8 31A 42 -12,-2.9 -12,-1.6 -2,-0.4 -13,-1.3 -0.788 51.8 164.3 -84.8 126.1 6.8 1.3 27.7 21 21 A A E -AB 6 30A 0 9,-2.8 9,-3.5 -2,-0.5 2,-0.5 -0.994 36.1-131.7-148.0 155.1 5.1 -1.4 29.8 22 22 A R E -AB 5 29A 101 -17,-2.0 -17,-2.0 -2,-0.3 2,-0.8 -0.924 23.7-125.7-114.2 132.3 2.4 -4.0 29.7 23 23 A N E > -A 4 0A 23 5,-2.9 4,-2.6 -2,-0.5 -19,-0.2 -0.648 16.1-148.5 -71.9 109.4 -0.2 -4.4 32.3 24 24 A K T 4 S+ 0 0 101 -21,-3.0 -1,-0.2 -2,-0.8 -20,-0.1 0.707 93.7 51.3 -55.0 -20.3 0.0 -8.1 33.3 25 25 A L T 4 S+ 0 0 124 -22,-0.4 -1,-0.1 3,-0.1 -21,-0.0 0.873 124.9 17.8 -76.1 -87.1 -3.7 -8.1 34.1 26 26 A T T 4 S- 0 0 101 1,-0.1 -2,-0.2 2,-0.0 3,-0.1 0.765 93.3-130.0 -52.6 -42.7 -5.3 -6.6 31.0 27 27 A G < + 0 0 37 -4,-2.6 -1,-0.1 1,-0.3 -3,-0.1 0.010 59.8 138.8 107.6 -25.3 -2.4 -7.2 28.6 28 28 A E - 0 0 118 -6,-0.2 -5,-2.9 1,-0.1 -1,-0.3 -0.142 52.2-126.4 -56.1 140.4 -2.5 -3.6 27.4 29 29 A V E +B 22 0A 29 -7,-0.3 46,-0.5 -3,-0.1 -7,-0.3 -0.681 38.8 164.0 -87.4 145.8 0.8 -1.6 26.8 30 30 A V E -BC 21 74A 5 -9,-3.5 -9,-2.8 -2,-0.3 2,-0.6 -0.838 41.9 -98.0-149.3 178.4 1.0 1.7 28.6 31 31 A A E -BC 20 73A 10 42,-2.2 42,-2.7 -2,-0.3 2,-0.6 -0.967 33.5-154.7-110.5 117.3 3.5 4.3 29.6 32 32 A L E -BC 19 72A 5 -13,-2.8 -13,-1.8 -2,-0.6 2,-0.7 -0.873 4.1-161.6 -95.3 120.0 4.6 4.0 33.2 33 33 A K E -BC 18 71A 6 38,-3.4 38,-2.3 -2,-0.6 2,-0.9 -0.888 2.5-159.5-103.8 110.9 5.9 7.2 34.8 34 34 A K E - C 0 70A 74 -17,-2.1 -17,-0.4 -2,-0.7 36,-0.2 -0.806 19.0-137.8 -90.6 106.8 7.9 6.6 37.9 35 35 A I 0 0 30 34,-2.8 34,-0.5 -2,-0.9 -19,-0.2 -0.484 360.0 360.0 -69.6 136.4 7.9 9.9 39.9 36 36 A R 0 0 238 -21,-3.0 -19,-0.2 -2,-0.2 -2,-0.1 -0.584 360.0 360.0 66.7 360.0 11.2 11.0 41.4 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 45 A P >> 0 0 118 0, 0.0 4,-2.5 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 102.4 2.8 14.8 49.5 39 46 A S H 3> + 0 0 77 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.816 360.0 53.2 -40.9 -43.2 -0.9 15.3 50.1 40 47 A T H 3> S+ 0 0 90 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.932 110.6 44.6 -62.8 -46.8 -0.8 18.4 47.9 41 48 A A H <> S+ 0 0 39 -3,-0.7 4,-2.6 1,-0.2 -2,-0.2 0.880 112.7 52.5 -66.3 -38.1 0.7 16.5 44.9 42 49 A I H X S+ 0 0 47 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.917 111.5 46.7 -63.7 -43.5 -1.6 13.6 45.4 43 50 A R H X S+ 0 0 141 -4,-2.4 4,-0.9 -5,-0.3 -2,-0.2 0.884 112.7 48.6 -67.2 -40.1 -4.6 15.9 45.3 44 51 A E H >X S+ 0 0 114 -4,-2.3 4,-1.2 1,-0.2 3,-1.2 0.952 107.0 55.9 -65.3 -48.7 -3.4 17.8 42.3 45 52 A I H 3X S+ 0 0 16 -4,-2.6 4,-1.2 1,-0.3 3,-0.2 0.848 102.2 56.9 -52.2 -38.7 -2.7 14.6 40.4 46 53 A S H 3X S+ 0 0 46 -4,-1.4 4,-0.9 1,-0.2 -1,-0.3 0.833 98.9 60.8 -63.2 -33.0 -6.4 13.5 40.9 47 54 A L H X< S+ 0 0 114 -3,-1.2 3,-0.8 -4,-0.9 4,-0.4 0.925 104.8 49.1 -57.2 -45.0 -7.5 16.7 39.2 48 55 A L H >< S+ 0 0 20 -4,-1.2 3,-0.7 -3,-0.2 11,-0.3 0.754 96.8 69.0 -65.5 -31.1 -5.6 15.5 36.1 49 56 A K H 3< S+ 0 0 58 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.843 107.1 40.2 -58.8 -31.8 -7.2 12.1 36.2 50 57 A E T << S+ 0 0 133 -4,-0.9 2,-1.1 -3,-0.8 -1,-0.3 0.513 89.8 101.9 -93.9 -9.9 -10.5 13.7 35.3 51 58 A L < + 0 0 17 -3,-0.7 2,-0.4 -4,-0.4 8,-0.3 -0.676 54.1 170.1 -77.9 103.8 -8.9 16.1 32.8 52 59 A N + 0 0 75 -2,-1.1 5,-0.1 6,-0.1 -3,-0.0 -0.966 10.6 144.5-129.0 129.4 -9.9 14.5 29.5 53 60 A H > - 0 0 39 -2,-0.4 3,-2.8 3,-0.3 54,-0.0 -0.967 55.1-111.2-158.5 138.7 -9.6 15.7 25.9 54 61 A P T 3 S+ 0 0 98 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.638 118.4 41.7 -43.0 -22.5 -8.8 14.1 22.5 55 62 A N T 3 S+ 0 0 8 80,-0.1 81,-3.2 48,-0.1 2,-0.5 0.409 96.1 83.6-112.7 -1.3 -5.5 15.9 22.4 56 63 A I B < S-e 136 0B 6 -3,-2.8 2,-0.4 79,-0.3 -3,-0.3 -0.873 90.7-111.0-100.6 132.3 -4.3 15.6 26.0 57 64 A V - 0 0 12 79,-2.7 81,-0.1 -2,-0.5 2,-0.1 -0.555 42.4-114.8 -63.2 119.9 -2.5 12.3 26.6 58 65 A K - 0 0 107 -2,-0.4 16,-1.8 -4,-0.1 2,-0.8 -0.318 14.8-141.0 -64.3 133.3 -4.9 10.3 28.9 59 66 A L E -D 73 0A 8 -11,-0.3 14,-0.3 -8,-0.3 3,-0.1 -0.873 22.1-178.6 -93.9 108.5 -3.9 9.5 32.5 60 67 A L E - 0 0 54 12,-2.1 2,-0.3 -2,-0.8 13,-0.2 0.967 56.7 -3.2 -73.4 -60.9 -5.2 6.0 33.1 61 68 A D E -D 72 0A 92 11,-1.4 11,-2.9 2,-0.0 2,-0.5 -0.936 50.8-145.5-137.7 158.9 -4.2 5.2 36.7 62 69 A V E -D 71 0A 41 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.991 15.9-168.4-125.3 116.9 -2.4 6.7 39.7 63 70 A I E +D 70 0A 33 7,-2.5 7,-1.7 -2,-0.5 2,-1.0 -0.862 11.8 173.9-113.9 96.1 -0.5 4.2 41.9 64 71 A H E +D 69 0A 100 -2,-0.7 2,-0.4 5,-0.2 5,-0.2 -0.885 29.8 148.7 -98.2 100.0 0.7 5.7 45.2 65 72 A T E > +D 68 0A 38 3,-1.5 3,-1.0 -2,-1.0 -2,-0.1 -1.000 57.0 5.2-142.3 141.6 2.0 2.5 46.8 66 73 A E T 3 S- 0 0 139 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.796 130.8 -61.4 58.6 28.2 4.8 1.6 49.2 67 74 A N T 3 S+ 0 0 147 1,-0.3 2,-0.3 -3,-0.0 -1,-0.3 0.789 114.6 115.1 67.4 33.2 5.3 5.4 49.4 68 75 A K E < - D 0 65A 96 -3,-1.0 -3,-1.5 -32,-0.0 2,-0.5 -0.880 59.2-132.2-128.1 157.8 6.1 5.6 45.7 69 76 A L E + D 0 64A 24 -34,-0.5 -34,-2.8 -2,-0.3 2,-0.4 -0.956 22.9 172.4-120.4 121.7 4.3 7.3 42.8 70 77 A Y E -CD 34 63A 32 -7,-1.7 -7,-2.5 -2,-0.5 2,-0.5 -0.956 14.1-159.3-120.9 137.2 3.7 5.7 39.4 71 78 A L E -CD 33 62A 0 -38,-2.3 -38,-3.4 -2,-0.4 2,-0.6 -0.984 6.6-153.6-119.2 128.1 1.6 7.3 36.8 72 79 A V E +CD 32 61A 3 -11,-2.9 -12,-2.1 -2,-0.5 -11,-1.4 -0.937 20.3 173.4-107.1 118.9 0.0 5.2 34.1 73 80 A F E -CD 31 59A 30 -42,-2.7 -42,-2.2 -2,-0.6 -14,-0.2 -0.686 39.0 -93.2-114.9 169.1 -0.7 6.8 30.8 74 81 A E E -C 30 0A 50 -16,-1.8 2,-0.3 -2,-0.2 -44,-0.2 -0.539 49.0-120.6 -76.5 149.4 -1.9 5.6 27.4 75 82 A F - 0 0 37 -46,-0.5 2,-0.3 -2,-0.2 -46,-0.1 -0.756 27.1-174.9-100.8 144.3 1.0 4.9 25.1 76 83 A L - 0 0 15 -2,-0.3 53,-0.1 53,-0.1 3,-0.0 -0.956 24.2-133.8-130.4 146.6 1.8 6.5 21.7 77 84 A H S S+ 0 0 104 -2,-0.3 2,-0.4 51,-0.3 52,-0.1 0.759 78.0 34.4 -79.5 -27.2 4.7 5.4 19.5 78 85 A Q E -F 128 0B 12 50,-1.3 50,-3.0 200,-0.0 2,-0.2 -0.971 58.4-148.6-133.6 149.1 6.4 8.6 18.4 79 86 A D E > -F 127 0B 46 -2,-0.4 4,-1.3 48,-0.3 48,-0.3 -0.627 37.0-110.7 -98.5 165.1 7.1 12.0 19.9 80 87 A L H > S+ 0 0 0 46,-2.8 4,-3.1 43,-1.1 5,-0.3 0.878 113.0 65.0 -66.5 -34.1 7.2 15.0 17.5 81 88 A K H > S+ 0 0 69 42,-1.1 4,-1.8 45,-0.3 -1,-0.2 0.884 104.2 43.3 -55.4 -46.5 11.0 15.4 17.9 82 89 A K H > S+ 0 0 125 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.877 114.1 52.0 -68.8 -37.6 11.8 12.0 16.3 83 90 A F H < S+ 0 0 2 -4,-1.3 4,-0.4 2,-0.2 -2,-0.2 0.911 110.2 47.7 -65.0 -40.7 9.3 12.8 13.6 84 91 A M H >< S+ 0 0 23 -4,-3.1 3,-0.7 1,-0.2 -1,-0.2 0.855 111.6 51.6 -67.7 -34.9 10.9 16.2 12.9 85 92 A D H >< S+ 0 0 96 -4,-1.8 3,-1.5 -5,-0.3 4,-0.2 0.925 107.2 51.9 -66.4 -43.2 14.3 14.5 12.8 86 93 A A T 3< S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.505 113.6 46.1 -71.1 -5.3 13.1 11.9 10.3 87 94 A S T <> S+ 0 0 7 -3,-0.7 4,-3.5 -4,-0.4 -1,-0.3 0.199 73.5 115.5-120.9 12.5 11.8 14.7 8.1 88 95 A A T <4 S+ 0 0 56 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.845 75.0 54.9 -50.2 -41.0 14.9 17.0 8.2 89 96 A L T 4 S+ 0 0 162 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.934 128.4 11.1 -62.9 -50.6 15.5 16.6 4.5 90 97 A T T 4 S- 0 0 110 -3,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.665 99.7-132.6-103.0 -20.8 12.1 17.7 3.1 91 98 A G < - 0 0 8 -4,-3.5 -1,-0.1 -7,-0.1 86,-0.1 -0.106 39.9 -61.0 84.8 166.4 10.5 19.1 6.2 92 99 A I - 0 0 15 84,-0.6 5,-0.0 1,-0.1 87,-0.0 -0.662 63.7 -99.5 -83.9 141.4 7.0 18.3 7.3 93 100 A P > - 0 0 64 0, 0.0 4,-2.4 0, 0.0 3,-0.2 -0.282 29.8-120.1 -59.1 147.3 4.2 19.2 4.8 94 101 A L H > S+ 0 0 71 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.820 112.4 53.8 -59.6 -34.6 2.5 22.5 5.6 95 102 A P H > S+ 0 0 66 0, 0.0 4,-1.4 0, 0.0 175,-0.3 0.913 109.8 48.1 -70.2 -33.7 -0.9 20.8 5.9 96 103 A L H > S+ 0 0 5 -3,-0.2 4,-2.4 2,-0.2 3,-0.4 0.968 114.3 46.0 -65.9 -48.5 0.5 18.3 8.4 97 104 A I H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.3 5,-0.2 0.943 113.3 49.4 -52.9 -55.4 2.1 21.2 10.4 98 105 A K H X S+ 0 0 15 -4,-2.7 4,-1.1 1,-0.2 -1,-0.3 0.769 110.6 51.2 -58.8 -27.8 -1.0 23.3 10.3 99 106 A S H X S+ 0 0 4 -4,-1.4 4,-1.3 -3,-0.4 -2,-0.2 0.945 111.2 46.9 -76.6 -43.3 -3.1 20.2 11.4 100 107 A Y H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.804 110.8 51.5 -63.7 -36.8 -0.8 19.6 14.4 101 108 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.876 109.7 50.8 -70.2 -34.8 -0.8 23.3 15.5 102 109 A F H X S+ 0 0 54 -4,-1.1 4,-1.3 -5,-0.2 -2,-0.2 0.770 112.9 44.5 -73.6 -30.1 -4.5 23.4 15.4 103 110 A Q H X S+ 0 0 10 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.869 111.9 52.6 -81.0 -39.5 -4.9 20.2 17.6 104 111 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.872 110.0 50.3 -62.0 -35.0 -2.2 21.5 20.0 105 112 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.888 106.7 53.6 -72.1 -38.9 -4.2 24.7 20.2 106 113 A Q H X S+ 0 0 70 -4,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.908 112.6 44.5 -61.5 -42.9 -7.4 22.8 21.0 107 114 A G H >X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 3,-0.7 0.954 113.7 48.2 -64.8 -51.6 -5.8 21.0 23.8 108 115 A L H 3X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.3 -2,-0.2 0.823 111.2 52.6 -59.2 -31.9 -4.0 24.1 25.2 109 116 A A H 3X S+ 0 0 14 -4,-2.2 4,-1.0 2,-0.2 -1,-0.3 0.775 109.3 49.8 -75.1 -26.4 -7.4 25.9 25.0 110 117 A F H << S+ 0 0 49 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.898 113.6 44.8 -75.2 -43.1 -9.0 23.0 27.0 111 118 A C H ><>S+ 0 0 2 -4,-2.4 5,-2.7 1,-0.2 3,-1.0 0.837 110.8 53.8 -65.3 -44.9 -6.3 23.1 29.7 112 119 A H H ><5S+ 0 0 24 -4,-1.8 3,-1.6 1,-0.2 -1,-0.2 0.838 100.6 57.3 -63.3 -37.1 -6.3 26.8 30.0 113 120 A S T 3<5S+ 0 0 77 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.404 110.4 48.2 -74.5 0.7 -10.1 27.2 30.6 114 121 A H T < 5S- 0 0 87 -3,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.217 118.4-115.9-117.5 2.3 -9.4 24.8 33.5 115 122 A R T < 5S+ 0 0 205 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.801 70.7 136.8 63.8 34.1 -6.5 26.9 34.7 116 123 A V < - 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