==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-FEB-09 3GC0 . COMPND 2 MOLECULE: KINASE, CMGC CDK; . SOURCE 2 ORGANISM_SCIENTIFIC: GIARDIA LAMBLIA; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 278 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 66.2 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 . 41 14.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 18 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 2 0 0 1 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 0 1 0 4 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 0 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 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 11 A S > 0 0 100 0, 0.0 3,-1.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 120.8 14.8 -10.1 -11.8 2 12 A I G > + 0 0 55 1,-0.2 3,-1.9 2,-0.1 63,-0.0 0.640 360.0 85.8 -72.0 -9.8 14.7 -6.7 -10.0 3 13 A D G 3 S+ 0 0 138 1,-0.3 -1,-0.2 3,-0.0 0, 0.0 0.636 73.5 73.3 -70.5 -16.7 18.3 -5.9 -11.1 4 14 A R G < S+ 0 0 96 -3,-1.1 21,-2.2 20,-0.1 2,-0.4 0.718 86.0 78.3 -58.9 -29.5 16.9 -4.5 -14.4 5 15 A Y E < -A 24 0A 14 -3,-1.9 2,-0.2 19,-0.2 19,-0.2 -0.787 61.1-179.6-100.5 127.7 15.6 -1.5 -12.5 6 16 A R E +A 23 0A 130 17,-2.4 17,-2.7 -2,-0.4 3,-0.2 -0.704 57.5 33.2-115.4 172.1 17.9 1.5 -11.5 7 17 A R E S- 0 0 162 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.893 73.0-168.9 48.9 46.2 17.6 4.8 -9.7 8 18 A I E - 0 0 72 -3,-0.2 2,-0.5 14,-0.1 14,-0.2 -0.570 6.2-174.6 -74.4 117.1 14.9 3.2 -7.5 9 19 A T E -A 21 0A 68 12,-2.8 12,-2.4 -2,-0.4 2,-0.1 -0.978 23.7-122.9-124.1 114.7 13.4 6.3 -5.7 10 20 A K E +A 20 0A 103 -2,-0.5 10,-0.3 10,-0.2 3,-0.1 -0.326 25.4 179.7 -61.7 129.6 10.8 5.9 -2.9 11 21 A L E - 0 0 94 8,-3.0 2,-0.3 1,-0.4 9,-0.2 0.593 54.5 -80.1-101.0 -18.7 7.6 7.8 -3.6 12 22 A G E -A 19 0A 29 7,-1.4 7,-3.1 2,-0.0 2,-0.5 -0.914 56.6 -51.3 143.6-173.8 5.7 6.8 -0.4 13 23 A E E -A 18 0A 129 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.849 49.5-169.6-103.5 130.6 3.7 4.1 1.2 14 24 A G - 0 0 35 3,-3.1 3,-0.1 -2,-0.5 5,-0.0 -0.455 42.7 -81.0-105.3-173.0 0.8 2.6 -0.6 15 25 A T S S+ 0 0 90 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.806 127.3 30.3 -52.8 -38.3 -2.0 0.2 0.3 16 26 A Y S S- 0 0 43 1,-0.3 21,-2.8 19,-0.1 2,-0.3 0.628 127.8 -61.9-105.4 -15.4 0.1 -2.9 -0.1 17 27 A G S S- 0 0 7 19,-0.2 -3,-3.1 -3,-0.1 -1,-0.3 -0.972 85.7 -13.2 158.0-163.9 3.6 -1.7 0.8 18 28 A E E -A 13 0A 19 -2,-0.3 17,-2.6 -5,-0.2 2,-0.4 -0.372 53.8-151.2 -68.7 145.6 6.2 0.7 -0.4 19 29 A V E +AB 12 34A 25 -7,-3.1 -8,-3.0 15,-0.2 -7,-1.4 -0.960 18.2 175.8-120.2 136.5 5.9 2.3 -3.8 20 30 A Y E -AB 10 33A 46 13,-2.6 13,-2.6 -2,-0.4 2,-0.3 -0.911 26.0-134.0-129.4 155.2 8.9 3.5 -5.8 21 31 A K E +AB 9 32A 80 -12,-2.4 -12,-2.8 -2,-0.3 2,-0.3 -0.815 34.9 167.9-100.2 158.0 9.7 5.0 -9.2 22 32 A A E - B 0 31A 2 9,-2.2 9,-2.5 -2,-0.3 2,-0.5 -0.966 36.4-107.7-157.9 164.1 12.6 3.5 -11.3 23 33 A I E -AB 6 30A 35 -17,-2.7 -17,-2.4 -2,-0.3 2,-1.0 -0.936 23.1-142.6-103.9 127.7 14.3 3.3 -14.6 24 34 A D E >>> -AB 5 29A 2 5,-3.1 4,-2.7 -2,-0.5 3,-0.9 -0.777 12.9-162.9 -84.9 101.0 13.9 0.2 -16.6 25 35 A T T 345S+ 0 0 72 -21,-2.2 -1,-0.1 -2,-1.0 -20,-0.1 0.543 84.8 60.1 -68.9 -6.2 17.4 -0.1 -18.2 26 36 A V T 345S+ 0 0 101 -22,-0.2 -1,-0.2 3,-0.1 -21,-0.1 0.829 124.8 16.6 -83.6 -34.3 16.2 -2.6 -20.9 27 37 A T T <45S- 0 0 72 -3,-0.9 -2,-0.2 2,-0.2 3,-0.1 0.489 95.2-126.6-113.2 -9.8 13.6 -0.1 -22.3 28 38 A N T <5 + 0 0 81 -4,-2.7 -3,-0.2 1,-0.2 2,-0.1 0.432 66.6 135.1 70.9 0.5 14.9 3.2 -20.9 29 39 A E E < -B 24 0A 98 -5,-0.5 -5,-3.1 -6,-0.1 2,-0.4 -0.434 60.4-115.3 -81.8 152.4 11.3 3.8 -19.5 30 40 A T E -B 23 0A 52 -7,-0.2 47,-0.8 -2,-0.1 2,-0.3 -0.713 40.5-178.2 -82.1 137.0 10.3 5.1 -16.1 31 41 A V E -BC 22 76A 0 -9,-2.5 -9,-2.2 -2,-0.4 2,-0.4 -0.855 25.5-125.6-126.9 166.2 8.3 2.5 -14.1 32 42 A A E -BC 21 75A 10 43,-3.3 43,-3.2 -2,-0.3 2,-0.5 -0.917 20.8-158.9-109.7 137.8 6.6 2.1 -10.7 33 43 A I E -BC 20 74A 2 -13,-2.6 -13,-2.6 -2,-0.4 2,-0.6 -0.989 2.9-163.3-118.7 131.0 7.6 -0.7 -8.4 34 44 A K E -BC 19 73A 33 39,-3.0 39,-2.5 -2,-0.5 2,-0.5 -0.960 10.2-148.0-119.4 115.5 5.2 -1.8 -5.8 35 45 A R E - C 0 72A 49 -17,-2.6 2,-0.8 -2,-0.6 37,-0.2 -0.714 16.2-149.3 -78.3 123.1 6.5 -3.9 -2.9 36 46 A I E - C 0 71A 5 35,-2.9 35,-0.5 -2,-0.5 2,-0.5 -0.876 4.0-149.2-101.8 105.1 3.6 -6.2 -1.9 37 47 A R + 0 0 143 -21,-2.8 33,-0.1 -2,-0.8 2,-0.0 -0.649 28.7 169.7 -71.8 119.0 3.8 -7.0 1.9 38 48 A L + 0 0 84 -2,-0.5 -1,-0.1 109,-0.0 109,-0.0 0.043 19.7 128.7-109.2-143.8 2.3 -10.5 2.4 39 49 A E 0 0 105 -2,-0.0 -2,-0.0 1,-0.0 0, 0.0 0.576 360.0 360.0 86.7 120.0 2.1 -13.1 5.3 40 50 A H 0 0 160 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.194 360.0 360.0-163.3 360.0 -1.3 -14.6 6.3 41 ! 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 42 58 A T > 0 0 122 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -42.5 -1.8 -19.3 -6.5 43 59 A A H > + 0 0 47 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.892 360.0 47.5 -70.4 -39.2 -1.1 -15.6 -5.5 44 60 A I H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 113.8 48.5 -71.0 -36.2 1.6 -15.4 -8.1 45 61 A R H > S+ 0 0 161 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.959 112.6 47.8 -62.8 -52.8 -0.7 -17.0 -10.7 46 62 A E H >X S+ 0 0 33 -4,-2.6 3,-0.6 1,-0.2 4,-0.5 0.939 115.2 43.5 -56.4 -54.0 -3.6 -14.7 -9.8 47 63 A V H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 4,-0.3 0.890 109.8 58.5 -61.7 -36.1 -1.5 -11.5 -9.9 48 64 A S H >< S+ 0 0 37 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.812 95.3 63.2 -67.3 -30.3 0.2 -12.7 -13.1 49 65 A L H X< S+ 0 0 68 -4,-1.6 3,-1.4 -3,-0.6 -1,-0.3 0.735 88.5 71.3 -64.0 -21.4 -3.2 -12.9 -14.9 50 66 A L G X< S+ 0 0 22 -3,-1.5 3,-1.5 -4,-0.5 11,-0.4 0.691 79.4 76.7 -70.4 -15.3 -3.5 -9.1 -14.4 51 67 A K G < S+ 0 0 90 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.775 84.1 63.7 -63.3 -27.5 -0.8 -8.8 -17.1 52 68 A E G < S+ 0 0 130 -3,-1.4 2,-2.0 -4,-0.2 -1,-0.3 0.659 76.1 95.3 -67.8 -20.1 -3.5 -9.6 -19.7 53 69 A L < + 0 0 10 -3,-1.5 2,-0.7 -4,-0.2 8,-0.3 -0.520 52.9 161.4 -76.9 80.0 -5.4 -6.3 -18.7 54 70 A Q + 0 0 106 -2,-2.0 2,-0.3 6,-0.1 5,-0.1 -0.902 12.6 131.9-107.8 104.1 -3.8 -4.3 -21.5 55 71 A H B > -E 58 0B 45 -2,-0.7 3,-2.1 3,-0.5 52,-0.0 -0.985 63.8-118.6-156.7 143.3 -5.8 -1.1 -22.1 56 72 A R T 3 S+ 0 0 115 -2,-0.3 4,-0.1 1,-0.3 51,-0.1 0.727 116.0 49.4 -60.4 -23.2 -5.0 2.6 -22.5 57 73 A N T 3 S+ 0 0 0 80,-0.1 81,-2.6 46,-0.1 2,-0.4 0.190 101.4 76.2-102.4 18.6 -7.1 3.4 -19.4 58 74 A I B < S-Ef 55 138B 5 -3,-2.1 -3,-0.5 79,-0.3 2,-0.2 -0.989 86.2-118.3-128.9 125.6 -5.5 0.7 -17.2 59 75 A I - 0 0 10 79,-2.5 2,-0.3 -2,-0.4 82,-0.2 -0.431 42.6-120.0 -58.2 118.4 -2.1 1.0 -15.6 60 76 A E - 0 0 50 -2,-0.2 16,-2.3 -4,-0.1 2,-0.9 -0.524 9.2-140.1 -69.3 127.9 -0.2 -2.0 -17.2 61 77 A L E +D 75 0A 6 -11,-0.4 14,-0.2 -8,-0.3 3,-0.1 -0.827 27.4 177.3 -78.5 107.6 1.2 -4.7 -14.9 62 78 A K E - 0 0 50 12,-2.4 2,-0.3 -2,-0.9 13,-0.2 0.773 55.3 -0.6 -86.0 -31.8 4.5 -5.2 -16.7 63 79 A S E -D 74 0A 32 11,-1.3 11,-2.6 2,-0.0 2,-0.5 -0.980 48.8-145.1-166.1 139.8 6.1 -7.8 -14.5 64 80 A V E -D 73 0A 28 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.966 21.4-167.5-110.6 121.2 5.7 -9.9 -11.4 65 81 A I E +D 72 0A 9 7,-2.9 7,-2.7 -2,-0.5 2,-0.5 -0.946 10.8 175.7-117.6 114.4 9.0 -10.4 -9.5 66 82 A H E +D 71 0A 64 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.908 23.9 141.7-120.3 99.8 9.0 -13.1 -6.7 67 83 A H E > +D 70 0A 56 3,-1.8 3,-1.6 -2,-0.5 -2,-0.0 -0.999 62.6 7.6-148.3 135.9 12.6 -13.4 -5.3 68 84 A N T 3 S- 0 0 71 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.814 127.1 -65.7 56.0 33.3 14.1 -14.0 -1.8 69 85 A H T 3 S+ 0 0 115 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.710 113.0 119.3 58.9 22.3 10.5 -14.5 -0.6 70 86 A R E < - D 0 67A 125 -3,-1.6 -3,-1.8 -33,-0.1 2,-0.5 -0.913 53.5-147.3-111.6 142.5 9.7 -10.8 -1.4 71 87 A L E +CD 36 66A 22 -35,-0.5 -35,-2.9 -2,-0.4 2,-0.4 -0.945 18.5 174.9-115.3 124.8 7.1 -9.8 -4.0 72 88 A H E -CD 35 65A 21 -7,-2.7 -7,-2.9 -2,-0.5 2,-0.4 -0.968 15.1-155.4-123.8 143.9 7.4 -6.7 -6.2 73 89 A L E -CD 34 64A 0 -39,-2.5 -39,-3.0 -2,-0.4 2,-0.5 -0.980 9.5-147.4-115.4 134.3 5.0 -5.7 -9.0 74 90 A I E +CD 33 63A 0 -11,-2.6 -12,-2.4 -2,-0.4 -11,-1.3 -0.901 25.1 178.7-101.0 123.5 6.3 -3.5 -11.8 75 91 A F E -CD 32 61A 8 -43,-3.2 -43,-3.3 -2,-0.5 -14,-0.2 -0.822 36.6 -87.7-122.8 157.6 3.7 -1.1 -13.2 76 92 A E E -C 31 0A 45 -16,-2.3 2,-0.4 -2,-0.3 -45,-0.2 -0.299 49.3-121.2 -51.5 139.2 3.5 1.6 -15.8 77 93 A Y - 0 0 64 -47,-0.8 2,-0.4 -55,-0.1 -47,-0.1 -0.764 26.0-172.7 -92.9 136.2 4.4 5.0 -14.4 78 94 A A - 0 0 14 -2,-0.4 51,-0.2 1,-0.1 50,-0.1 -0.998 16.9-148.7-129.4 124.9 2.0 7.9 -14.4 79 95 A E S S+ 0 0 69 -2,-0.4 2,-0.2 48,-0.1 50,-0.2 0.711 76.6 26.6 -63.4 -28.2 3.3 11.4 -13.3 80 96 A N E -G 128 0B 41 48,-2.1 48,-2.3 4,-0.0 2,-0.3 -0.719 62.5-152.2-129.7 171.3 -0.0 12.7 -11.8 81 97 A D E > -G 127 0B 23 46,-0.3 4,-2.5 -2,-0.2 46,-0.3 -0.943 32.8-105.5-142.7 167.3 -3.3 11.4 -10.3 82 98 A L H > S+ 0 0 3 44,-2.6 4,-2.9 41,-0.9 5,-0.2 0.835 114.4 52.0 -65.2 -40.3 -6.9 12.8 -10.1 83 99 A K H > S+ 0 0 37 40,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.985 115.9 41.8 -60.7 -52.4 -6.9 14.0 -6.5 84 100 A K H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.893 115.2 52.9 -56.9 -44.1 -3.7 16.0 -7.0 85 101 A Y H X S+ 0 0 30 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.886 110.1 44.9 -64.5 -44.6 -5.0 17.2 -10.3 86 102 A M H < S+ 0 0 30 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.825 112.9 53.7 -65.6 -34.8 -8.3 18.5 -9.0 87 103 A D H < S+ 0 0 136 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.905 116.7 37.0 -61.7 -45.0 -6.4 20.1 -6.1 88 104 A K H < S+ 0 0 169 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.697 119.8 49.0 -81.3 -22.2 -4.1 21.9 -8.5 89 105 A N >< + 0 0 57 -4,-1.4 3,-1.3 -5,-0.2 -1,-0.2 -0.565 54.8 156.1-128.2 69.8 -6.8 22.7 -11.2 90 106 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.772 79.4 51.0 -64.2 -31.5 -9.9 24.2 -9.6 91 107 A D T 3 S+ 0 0 158 2,-0.0 -5,-0.0 0, 0.0 -2,-0.0 0.207 78.4 145.3 -90.9 12.2 -11.0 25.9 -12.8 92 108 A V < - 0 0 24 -3,-1.3 5,-0.0 -6,-0.1 -3,-0.0 -0.206 52.7-105.5 -55.2 137.4 -10.7 22.6 -15.0 93 109 A S > - 0 0 59 1,-0.1 4,-2.0 4,-0.0 3,-0.5 -0.208 12.7-118.7 -72.3 159.4 -13.4 22.5 -17.7 94 110 A M H > S+ 0 0 80 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.825 115.5 61.4 -57.9 -32.7 -16.5 20.3 -17.9 95 111 A R H > S+ 0 0 107 2,-0.2 4,-1.9 1,-0.2 185,-0.4 0.878 103.6 46.9 -64.9 -42.5 -15.0 18.8 -21.0 96 112 A V H > S+ 0 0 18 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.912 112.4 51.1 -61.8 -45.9 -11.9 17.5 -19.1 97 113 A I H X S+ 0 0 8 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.940 111.8 46.4 -58.3 -50.4 -14.3 16.1 -16.3 98 114 A K H X S+ 0 0 6 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.834 112.7 50.4 -61.3 -37.6 -16.5 14.3 -18.9 99 115 A S H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.899 110.3 49.6 -63.6 -43.4 -13.4 12.9 -20.7 100 116 A F H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.949 112.2 49.4 -64.2 -41.4 -12.0 11.6 -17.4 101 117 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.933 111.6 46.8 -61.4 -50.9 -15.4 10.0 -16.6 102 118 A Y H X S+ 0 0 47 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.924 112.9 49.8 -54.5 -48.6 -15.6 8.3 -20.0 103 119 A Q H X S+ 0 0 4 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.900 110.6 50.0 -60.4 -39.3 -12.1 7.1 -19.7 104 120 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.935 113.3 45.2 -64.6 -48.8 -12.7 5.7 -16.2 105 121 A I H X S+ 0 0 0 -4,-2.7 4,-3.5 2,-0.2 -2,-0.2 0.912 112.1 53.3 -62.6 -38.5 -15.9 3.9 -17.3 106 122 A N H X S+ 0 0 35 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.943 111.4 45.3 -63.2 -48.7 -14.0 2.6 -20.4 107 123 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.943 114.5 48.5 -58.3 -48.5 -11.2 1.1 -18.3 108 124 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.926 109.4 51.4 -59.7 -47.7 -13.6 -0.3 -15.9 109 125 A N H X S+ 0 0 43 -4,-3.5 4,-2.4 2,-0.2 -1,-0.2 0.924 107.6 54.4 -57.7 -42.4 -15.8 -1.9 -18.7 110 126 A F H X S+ 0 0 30 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.943 113.2 42.4 -54.6 -49.4 -12.6 -3.5 -20.2 111 127 A C H ><>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 3,-1.1 0.919 111.9 52.0 -66.3 -45.9 -11.8 -5.1 -16.8 112 128 A H H ><5S+ 0 0 26 -4,-3.0 3,-2.1 1,-0.3 -1,-0.2 0.878 103.4 59.9 -58.4 -37.1 -15.3 -6.2 -16.0 113 129 A S H 3<5S+ 0 0 73 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.771 106.2 48.2 -66.2 -23.0 -15.5 -7.9 -19.4 114 130 A R T <<5S- 0 0 138 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.034 123.9-106.0 -96.9 19.1 -12.5 -10.1 -18.3 115 131 A R T < 5S+ 0 0 81 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.784 76.7 138.3 61.5 33.6 -14.2 -10.8 -15.0 116 132 A C < - 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