==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-NOV-01 1KE8 . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.N.BRAMSON,J.CORONA,S.T.DAVIS,S.H.DICKERSON,M.EDELSTEIN, . 282 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14328.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 64.5 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 13.8 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 . 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 . 1 0.4 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 . 20 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 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 4 0 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 . 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 33 0, 0.0 3,-1.5 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 -54.0 -20.3 51.4 26.8 2 2 A E T 3 + 0 0 134 1,-0.3 22,-0.0 3,-0.1 0, 0.0 0.459 360.0 74.2 -75.2 0.8 -24.1 50.9 26.5 3 3 A N T 3 S+ 0 0 100 21,-0.1 21,-2.5 20,-0.0 22,-0.5 0.336 90.9 69.1 -93.2 5.1 -23.9 54.1 24.4 4 4 A F E < -A 23 0A 9 -3,-1.5 2,-0.6 19,-0.2 19,-0.2 -0.977 67.7-150.2-129.5 139.7 -22.4 52.0 21.6 5 5 A Q E -A 22 0A 94 17,-2.2 17,-1.8 -2,-0.4 2,-0.2 -0.934 20.8-135.1-109.5 117.2 -23.9 49.3 19.4 6 6 A K E +A 21 0A 87 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.453 27.6 172.4 -67.8 134.5 -21.4 46.7 18.1 7 7 A V E - 0 0 79 13,-3.0 2,-0.3 1,-0.5 -1,-0.2 0.801 62.5 -15.6-108.5 -41.7 -21.9 46.0 14.5 8 8 A E E -A 20 0A 124 12,-1.0 12,-2.2 0, 0.0 -1,-0.5 -0.961 65.1-108.1-152.0 159.3 -18.9 43.7 13.6 9 9 A K E -A 19 0A 109 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.871 21.5-167.5 -98.4 125.7 -15.5 42.7 15.2 10 10 A I E - 0 0 87 8,-2.8 9,-0.2 -2,-0.5 2,-0.2 0.528 56.6 -72.5 -91.1 -8.0 -12.5 44.2 13.3 11 11 A G E -A 18 0A 32 7,-1.0 7,-2.9 2,-0.0 2,-0.9 -0.475 44.3 -82.2 132.3 156.9 -10.0 42.0 15.0 12 12 A E E -A 17 0A 138 5,-0.2 5,-0.3 -2,-0.2 -3,-0.0 -0.800 48.1-164.2 -96.4 101.0 -8.1 41.3 18.3 13 13 A G - 0 0 36 3,-2.0 3,-0.5 -2,-0.9 -2,-0.0 0.102 37.1 -92.1 -69.2-170.5 -5.2 43.7 18.5 14 14 A T S S+ 0 0 95 1,-0.2 3,-0.1 22,-0.0 -1,-0.1 0.863 126.2 35.9 -73.8 -37.6 -2.3 43.4 20.9 15 15 A Y S S- 0 0 49 1,-0.3 21,-1.5 21,-0.1 2,-0.2 0.141 130.8 -49.7-103.1 19.2 -3.9 45.5 23.6 16 16 A G E S- B 0 35A 11 -3,-0.5 -3,-2.0 19,-0.2 2,-0.3 -0.790 72.2 -48.3 141.3 175.6 -7.4 44.4 23.1 17 17 A V E -AB 12 34A 29 17,-0.7 17,-2.3 -5,-0.3 2,-0.4 -0.625 44.0-146.7 -86.7 141.4 -10.3 43.7 20.7 18 18 A V E -AB 11 33A 28 -7,-2.9 -8,-2.8 -2,-0.3 -7,-1.0 -0.916 16.5-174.3-111.3 132.2 -11.4 46.3 18.1 19 19 A Y E -AB 9 32A 43 13,-3.1 13,-3.5 -2,-0.4 2,-0.5 -0.938 28.4-128.0-126.5 148.7 -15.0 46.7 17.1 20 20 A K E +AB 8 31A 47 -12,-2.2 -13,-3.0 -2,-0.3 -12,-1.0 -0.817 48.0 172.9 -87.5 129.5 -16.8 48.8 14.5 21 21 A A E -AB 6 30A 1 9,-2.8 9,-2.8 -2,-0.5 2,-0.4 -0.940 32.7-130.3-140.8 163.0 -19.5 50.5 16.5 22 22 A R E -AB 5 29A 100 -17,-1.8 -17,-2.2 -2,-0.3 2,-0.8 -0.951 23.8-127.0-116.7 133.5 -22.2 53.1 16.3 23 23 A N E > -A 4 0A 19 5,-2.5 4,-1.9 -2,-0.4 -19,-0.2 -0.696 14.8-149.8 -78.8 110.5 -22.6 55.9 18.8 24 24 A K T 4 S+ 0 0 113 -21,-2.5 -1,-0.2 -2,-0.8 -20,-0.1 0.910 94.3 43.0 -44.8 -50.4 -26.2 55.7 20.0 25 25 A L T 4 S+ 0 0 87 -22,-0.5 -1,-0.1 1,-0.1 -21,-0.0 0.975 127.8 22.4 -58.9 -86.0 -26.2 59.5 20.6 26 26 A T T 4 S- 0 0 100 1,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.883 89.6-136.2 -50.6 -51.6 -24.4 60.9 17.6 27 27 A G < + 0 0 32 -4,-1.9 -1,-0.1 1,-0.4 -3,-0.1 0.352 54.8 143.4 102.7 -3.5 -25.0 58.1 15.2 28 28 A E - 0 0 79 -5,-0.2 -5,-2.5 -6,-0.1 2,-0.5 -0.374 52.4-123.0 -70.0 147.2 -21.4 58.3 14.0 29 29 A V E +B 22 0A 52 -7,-0.2 47,-0.5 -3,-0.1 2,-0.3 -0.799 41.9 166.4 -92.9 131.5 -19.5 55.1 13.1 30 30 A V E -BC 21 75A 1 -9,-2.8 -9,-2.8 -2,-0.5 2,-0.6 -0.867 41.9-104.7-139.6 172.0 -16.3 54.6 15.1 31 31 A A E -BC 20 74A 15 43,-2.7 43,-2.9 -2,-0.3 2,-0.6 -0.910 34.6-159.4-101.9 117.6 -13.7 52.1 16.0 32 32 A L E -BC 19 73A 1 -13,-3.5 -13,-3.1 -2,-0.6 2,-0.6 -0.885 4.9-166.1-101.9 120.5 -14.2 50.9 19.6 33 33 A K E -BC 18 72A 2 39,-2.9 39,-2.6 -2,-0.6 2,-0.6 -0.921 6.5-157.3-112.4 113.9 -11.2 49.4 21.3 34 34 A K E -BC 17 71A 61 -17,-2.3 -17,-0.7 -2,-0.6 2,-0.3 -0.793 20.8-136.2 -88.2 120.3 -11.7 47.4 24.5 35 35 A I E B 16 0A 30 35,-2.5 35,-0.4 -2,-0.6 -19,-0.2 -0.622 360.0 360.0 -84.1 136.2 -8.4 47.3 26.5 36 36 A R 0 0 127 -21,-1.5 -20,-0.2 -2,-0.3 -1,-0.1 0.742 360.0 360.0 113.7 360.0 -7.2 44.1 28.1 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 44 A V 0 0 74 0, 0.0 30,-0.0 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 127.4 -6.0 50.6 35.2 39 45 A P >> - 0 0 84 0, 0.0 4,-1.4 0, 0.0 3,-0.6 -0.319 360.0-125.3 -65.2 147.9 -2.9 52.4 36.4 40 46 A S H 3> S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.809 106.9 67.9 -62.7 -30.5 -3.0 56.2 36.5 41 47 A T H 3> S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 102.1 44.9 -56.6 -43.8 0.2 56.3 34.4 42 48 A A H <> S+ 0 0 0 -3,-0.6 4,-3.2 2,-0.2 5,-0.3 0.912 109.3 56.3 -67.4 -43.6 -1.6 54.8 31.4 43 49 A I H X S+ 0 0 40 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.920 111.7 42.2 -54.9 -48.2 -4.6 57.2 31.9 44 50 A R H X S+ 0 0 146 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.905 113.8 52.7 -66.7 -41.4 -2.4 60.3 31.7 45 51 A E H X S+ 0 0 63 -4,-2.1 4,-1.2 -5,-0.3 3,-0.4 0.930 111.3 45.8 -59.2 -47.7 -0.4 58.8 28.8 46 52 A I H X S+ 0 0 0 -4,-3.2 4,-1.2 1,-0.2 3,-0.4 0.906 105.7 61.7 -62.1 -41.8 -3.5 58.1 26.8 47 53 A S H < S+ 0 0 56 -4,-2.1 4,-0.4 -5,-0.3 -1,-0.2 0.835 101.1 53.3 -53.8 -36.1 -4.9 61.6 27.6 48 54 A L H >< S+ 0 0 111 -4,-1.4 3,-1.6 -3,-0.4 4,-0.4 0.885 101.6 58.4 -67.9 -39.6 -1.9 63.1 25.8 49 55 A L H >< S+ 0 0 11 -4,-1.2 3,-1.4 -3,-0.4 11,-0.3 0.804 92.0 69.2 -60.6 -30.0 -2.6 61.1 22.6 50 56 A K T 3< S+ 0 0 59 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.778 99.1 51.2 -59.7 -25.5 -6.0 62.7 22.5 51 57 A E T < S+ 0 0 142 -3,-1.6 2,-1.5 -4,-0.4 -1,-0.3 0.599 82.5 101.5 -87.1 -13.5 -4.2 66.0 21.6 52 58 A L < + 0 0 9 -3,-1.4 2,-0.5 -4,-0.4 8,-0.3 -0.577 52.4 172.4 -76.5 91.2 -2.1 64.4 18.9 53 59 A N + 0 0 78 -2,-1.5 5,-0.1 6,-0.1 -3,-0.0 -0.900 9.8 139.2-109.8 125.0 -4.0 65.6 15.8 54 60 A H > - 0 0 39 -2,-0.5 3,-2.0 3,-0.4 5,-0.1 -0.966 56.3-117.8-159.8 142.7 -2.7 65.1 12.3 55 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.695 115.2 47.1 -57.1 -21.2 -4.3 64.1 8.9 56 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.5 48,-0.1 2,-0.4 0.133 99.0 80.2-110.0 20.7 -2.2 61.0 8.7 57 63 A I B < S-e 137 0B 1 -3,-2.0 2,-0.5 79,-0.3 -3,-0.4 -0.995 87.8-114.7-126.6 128.4 -2.9 59.8 12.2 58 64 A V - 0 0 3 79,-2.8 82,-0.2 -2,-0.4 81,-0.1 -0.511 42.8-118.3 -65.1 117.5 -6.1 58.0 13.2 59 65 A K - 0 0 81 -2,-0.5 16,-1.9 1,-0.1 2,-1.0 -0.310 11.0-137.6 -63.2 133.1 -7.7 60.4 15.6 60 66 A L E -D 74 0A 2 -11,-0.3 14,-0.2 -8,-0.3 3,-0.1 -0.830 25.9-180.0 -91.6 104.9 -8.4 59.4 19.2 61 67 A L E - 0 0 45 12,-1.8 2,-0.3 -2,-1.0 13,-0.2 0.926 55.5 -4.1 -73.9 -50.0 -11.9 60.7 19.7 62 68 A D E -D 73 0A 86 11,-1.6 11,-3.0 2,-0.0 2,-0.5 -0.996 49.4-145.5-150.1 153.1 -12.7 59.7 23.3 63 69 A V E -D 72 0A 36 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.983 17.5-164.5-120.2 121.6 -11.4 57.8 26.3 64 70 A I E +D 71 0A 38 7,-3.1 7,-2.4 -2,-0.5 2,-0.7 -0.914 11.2 176.9-113.7 109.9 -13.9 56.0 28.4 65 71 A H E +D 70 0A 86 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.852 24.5 149.4-111.1 92.0 -12.8 54.8 31.8 66 72 A T E > +D 69 0A 73 3,-1.5 3,-2.5 -2,-0.7 -2,-0.1 -0.955 61.8 1.2-127.7 146.9 -15.9 53.3 33.5 67 73 A E T 3 S- 0 0 138 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.873 128.8 -60.5 46.0 44.3 -16.3 50.5 36.0 68 74 A N T 3 S+ 0 0 137 1,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.738 114.5 121.3 57.0 25.1 -12.5 50.2 36.1 69 75 A K E < - D 0 66A 108 -3,-2.5 -3,-1.5 -31,-0.0 2,-0.5 -0.892 55.0-140.5-118.7 149.7 -12.6 49.4 32.4 70 76 A L E + D 0 65A 6 -35,-0.4 -35,-2.5 -2,-0.3 2,-0.4 -0.941 19.3 175.5-117.3 124.9 -10.9 51.2 29.5 71 77 A Y E -CD 34 64A 21 -7,-2.4 -7,-3.1 -2,-0.5 2,-0.5 -0.992 13.1-157.8-126.6 129.1 -12.4 51.8 26.1 72 78 A L E -CD 33 63A 0 -39,-2.6 -39,-2.9 -2,-0.4 2,-0.6 -0.926 5.3-154.6-109.4 129.5 -10.8 53.9 23.4 73 79 A V E +CD 32 62A 3 -11,-3.0 -12,-1.8 -2,-0.5 -11,-1.6 -0.917 19.5 176.7-107.1 117.5 -12.9 55.5 20.7 74 80 A F E -CD 31 60A 14 -43,-2.9 -43,-2.7 -2,-0.6 -14,-0.2 -0.754 37.6 -93.3-114.6 162.1 -11.0 56.1 17.4 75 81 A E E -C 30 0A 49 -16,-1.9 2,-0.4 -2,-0.3 -45,-0.2 -0.382 48.5-119.6 -68.9 155.8 -12.2 57.4 14.0 76 82 A F - 0 0 43 -47,-0.5 2,-0.4 -46,-0.1 -47,-0.1 -0.862 28.4-177.7-108.3 135.0 -13.1 54.6 11.6 77 83 A L - 0 0 15 -2,-0.4 53,-0.1 53,-0.1 3,-0.0 -0.964 27.1-131.3-125.0 143.1 -11.5 53.8 8.2 78 84 A H S S+ 0 0 106 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.546 77.7 25.4 -74.8 -11.2 -12.9 51.0 6.0 79 85 A Q E -F 129 0B 13 50,-1.0 50,-3.1 205,-0.1 2,-0.2 -0.989 59.4-141.3-157.1 145.8 -9.7 49.1 5.1 80 86 A D E > -F 128 0B 47 -2,-0.3 4,-1.6 48,-0.2 3,-0.3 -0.612 34.0-110.6-100.7 164.5 -6.1 48.3 6.2 81 87 A L H > S+ 0 0 0 46,-2.7 4,-2.5 43,-1.0 5,-0.2 0.806 113.5 62.4 -63.6 -31.5 -3.0 48.0 4.0 82 88 A K H > S+ 0 0 77 42,-0.7 4,-1.8 45,-0.3 -1,-0.2 0.928 107.6 43.1 -60.3 -45.2 -2.7 44.3 4.6 83 89 A K H > S+ 0 0 112 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.839 112.4 53.5 -70.4 -33.5 -6.1 43.7 2.9 84 90 A F H X S+ 0 0 13 -4,-1.6 4,-0.7 2,-0.2 -2,-0.2 0.899 109.4 48.5 -68.6 -38.4 -5.4 46.2 0.1 85 91 A M H >< S+ 0 0 20 -4,-2.5 3,-0.6 2,-0.2 4,-0.2 0.893 109.9 51.5 -67.4 -40.3 -2.1 44.4 -0.7 86 92 A D H >< S+ 0 0 100 -4,-1.8 3,-1.3 1,-0.2 4,-0.2 0.912 109.3 51.0 -60.7 -43.9 -3.9 41.0 -0.7 87 93 A A H 3< S+ 0 0 82 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.658 115.0 43.6 -68.3 -16.9 -6.5 42.4 -3.1 88 94 A S T XX S+ 0 0 17 -4,-0.7 4,-3.6 -3,-0.6 3,-0.6 0.253 77.2 114.3-111.3 10.0 -3.6 43.7 -5.3 89 95 A A T <4 S+ 0 0 56 -3,-1.3 -1,-0.1 1,-0.2 -2,-0.1 0.768 74.1 54.5 -52.4 -31.8 -1.4 40.6 -5.2 90 96 A L T 34 S+ 0 0 165 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.863 127.6 13.8 -74.3 -38.3 -1.9 39.8 -8.9 91 97 A T T <4 S- 0 0 118 -3,-0.6 -2,-0.2 1,-0.1 -1,-0.1 0.564 101.6-132.9-113.2 -14.2 -0.8 43.2 -10.4 92 98 A G < - 0 0 7 -4,-3.6 91,-0.1 -7,-0.2 -3,-0.1 0.053 38.8 -58.1 79.0 163.7 0.9 44.7 -7.3 93 99 A I - 0 0 15 89,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.665 62.6-105.8 -81.9 131.0 0.3 48.3 -6.1 94 100 A P >> - 0 0 78 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.264 25.4-123.4 -55.7 138.6 1.1 51.0 -8.7 95 101 A L H 3> S+ 0 0 69 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.840 110.3 56.9 -53.6 -39.2 4.4 52.8 -7.9 96 102 A P H 3> S+ 0 0 69 0, 0.0 4,-1.8 0, 0.0 180,-0.4 0.876 110.4 45.2 -62.2 -34.6 2.7 56.2 -7.8 97 103 A L H <> S+ 0 0 9 -3,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.856 111.6 51.5 -75.6 -36.4 0.4 55.0 -5.1 98 104 A I H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.932 112.0 47.9 -64.2 -43.6 3.2 53.3 -3.2 99 105 A K H X S+ 0 0 15 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.884 111.7 49.5 -64.6 -39.6 5.1 56.6 -3.3 100 106 A S H X S+ 0 0 4 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.921 112.6 47.1 -65.6 -45.4 2.1 58.6 -2.2 101 107 A Y H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.920 112.7 47.9 -63.4 -45.4 1.4 56.2 0.7 102 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.906 110.8 52.6 -63.1 -41.0 5.0 56.2 1.9 103 109 A F H X S+ 0 0 53 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.921 112.2 44.7 -61.0 -45.1 5.2 60.0 1.7 104 110 A Q H X S+ 0 0 14 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.901 111.2 53.2 -67.5 -41.3 2.1 60.4 3.8 105 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.910 108.8 49.9 -61.1 -40.1 3.3 57.8 6.4 106 112 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.845 108.1 53.3 -67.1 -33.0 6.6 59.7 6.7 107 113 A Q H X S+ 0 0 68 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.931 110.6 48.0 -65.9 -43.4 4.6 63.0 7.3 108 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.914 114.0 45.0 -61.6 -45.5 2.7 61.2 10.0 109 115 A L H X S+ 0 0 3 -4,-2.5 4,-3.7 2,-0.2 5,-0.3 0.895 109.3 55.3 -66.9 -41.3 5.8 59.8 11.7 110 116 A A H X S+ 0 0 17 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.884 110.6 47.3 -58.5 -38.7 7.7 63.1 11.4 111 117 A F H X S+ 0 0 47 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.927 115.8 43.7 -68.3 -45.9 4.8 64.7 13.3 112 118 A C H ><>S+ 0 0 6 -4,-2.3 5,-2.4 1,-0.2 3,-1.1 0.939 113.4 50.0 -65.4 -47.6 4.7 62.0 16.0 113 119 A H H ><5S+ 0 0 28 -4,-3.7 3,-1.4 1,-0.3 -1,-0.2 0.806 104.3 58.8 -61.7 -32.1 8.5 61.8 16.4 114 120 A S H 3<5S+ 0 0 78 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.741 106.9 48.9 -69.9 -21.2 8.7 65.6 16.8 115 121 A H T <<5S- 0 0 83 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.276 120.4-113.5 -97.6 8.8 6.3 65.2 19.8 116 122 A R T < 5S+ 0 0 193 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.705 73.9 135.5 67.2 22.2 8.5 62.4 21.1 117 123 A V < - 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