==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-MAR-09 3GUE . COMPND 2 MOLECULE: UTP-GLUCOSE-1-PHOSPHATE URIDYLYLTRANSFERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR A.K.WERNIMONT,K.MARINO,Y.H.LIN,F.MACKENZIE,I.KOZIERADZKI,D.C . 925 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39422.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 641 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 79 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.2 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 7 0 0 6 4 1 3 0 1 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 7 4 3 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 PARALLEL BRIDGES PER LADDER . 4 8 2 2 0 5 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 . 8 2 4 0 0 0 0 0 0 2 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 8 A S > 0 0 86 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 119.3 41.1 -29.0 -0.5 2 9 A G H > + 0 0 48 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.841 360.0 56.5 -68.5 -36.5 44.6 -27.3 -1.0 3 10 A A H > S+ 0 0 8 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.831 108.1 46.9 -62.7 -38.2 42.9 -24.1 -2.0 4 11 A A H > S+ 0 0 12 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.898 111.2 50.4 -73.2 -42.5 40.9 -24.0 1.3 5 12 A L H X S+ 0 0 90 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.910 109.7 51.6 -61.5 -42.8 43.9 -24.7 3.4 6 13 A A H X S+ 0 0 27 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.904 112.5 45.3 -57.4 -44.1 45.8 -21.9 1.6 7 14 A C H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.896 113.0 53.0 -64.5 -40.2 42.8 -19.5 2.4 8 15 A L H X S+ 0 0 44 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.931 111.5 43.0 -61.7 -49.8 42.7 -20.8 6.0 9 16 A E H X S+ 0 0 119 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.874 113.6 50.8 -68.6 -41.2 46.4 -20.2 6.6 10 17 A K H X S+ 0 0 42 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.2 0.847 112.7 47.7 -63.7 -37.9 46.4 -16.8 4.9 11 18 A M H ><>S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 3,-0.8 0.934 112.3 47.5 -68.4 -48.3 43.4 -15.7 7.0 12 19 A Q H ><5S+ 0 0 125 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.855 107.5 58.4 -59.4 -35.3 44.9 -16.9 10.3 13 20 A A H 3<5S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.758 108.5 46.0 -66.5 -24.3 48.2 -15.1 9.4 14 21 A S T <<5S- 0 0 54 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.360 119.8-104.6-102.8 4.3 46.3 -11.8 9.2 15 22 A G T < 5 + 0 0 68 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.644 55.8 171.9 86.3 16.2 44.3 -12.2 12.4 16 23 A V < - 0 0 15 -5,-2.1 -1,-0.2 -6,-0.1 5,-0.1 -0.316 42.9 -94.7 -63.4 138.2 40.9 -13.0 10.9 17 24 A E > - 0 0 41 1,-0.1 4,-2.1 -2,-0.1 3,-0.2 -0.247 29.9-126.8 -59.3 132.6 38.1 -14.1 13.3 18 25 A E H > S+ 0 0 134 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.865 107.5 47.3 -46.5 -50.7 37.8 -17.9 13.7 19 26 A K H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.870 109.7 54.5 -66.9 -34.4 34.1 -18.1 12.9 20 27 A C H > S+ 0 0 5 -3,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.920 107.6 49.9 -62.3 -44.1 34.5 -15.9 9.8 21 28 A I H X S+ 0 0 11 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.961 112.5 48.4 -57.0 -50.9 37.2 -18.3 8.5 22 29 A H H X S+ 0 0 87 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.900 112.9 45.8 -55.1 -51.1 34.8 -21.2 9.2 23 30 A I H X S+ 0 0 30 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.916 113.4 51.5 -59.9 -45.2 31.8 -19.5 7.4 24 31 A F H X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.891 108.5 49.5 -57.6 -42.7 34.1 -18.5 4.5 25 32 A L H X S+ 0 0 34 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.809 107.0 56.1 -75.3 -26.9 35.5 -22.1 4.0 26 33 A I H X S+ 0 0 73 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.959 112.4 41.8 -56.8 -55.6 31.9 -23.4 4.0 27 34 A Q H X S+ 0 0 17 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.838 111.7 56.3 -60.9 -41.0 31.2 -20.9 1.1 28 35 A H H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.874 103.9 53.1 -55.0 -51.8 34.5 -21.9 -0.5 29 36 A A H X S+ 0 0 28 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.935 112.1 47.2 -43.9 -50.6 33.5 -25.5 -0.5 30 37 A L H ><>S+ 0 0 79 -4,-1.6 5,-1.7 1,-0.2 3,-0.7 0.924 113.7 44.2 -63.7 -51.3 30.3 -24.5 -2.4 31 38 A V H ><5S+ 0 0 0 -4,-2.6 3,-2.2 1,-0.2 -1,-0.2 0.837 104.5 63.6 -65.9 -35.7 31.9 -22.2 -5.0 32 39 A R H 3<5S+ 0 0 72 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.834 103.8 49.9 -57.3 -32.4 34.7 -24.8 -5.7 33 40 A K T <<5S- 0 0 152 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.161 133.7 -90.1 -91.2 13.7 31.9 -27.2 -6.9 34 41 A G T < 5 + 0 0 45 -3,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.629 63.9 166.0 90.0 15.1 30.4 -24.4 -9.2 35 42 A E < - 0 0 81 -5,-1.7 -1,-0.3 1,-0.2 -5,-0.0 -0.481 15.2-170.0 -57.8 124.9 27.9 -22.7 -6.9 36 43 A T - 0 0 45 -2,-0.2 279,-0.8 2,-0.1 -1,-0.2 0.705 27.8-131.7 -94.3 -21.0 27.0 -19.5 -8.7 37 44 A G + 0 0 10 1,-0.2 2,-0.1 277,-0.2 -2,-0.1 0.493 56.0 151.9 77.0 7.1 25.0 -17.8 -6.0 38 45 A Y - 0 0 83 231,-0.1 -1,-0.2 1,-0.1 231,-0.2 -0.410 42.6-157.9 -80.7 149.4 22.4 -17.1 -8.6 39 46 A I - 0 0 27 229,-3.1 5,-0.1 226,-0.2 229,-0.1 -0.867 23.9-151.3-117.9 88.6 18.6 -16.6 -8.1 40 47 A P > - 0 0 61 0, 0.0 3,-3.1 0, 0.0 4,-0.3 -0.374 22.0-117.6 -68.7 142.9 17.1 -17.4 -11.5 41 48 A E G > S+ 0 0 19 1,-0.3 3,-1.3 2,-0.2 228,-0.0 0.789 114.7 60.9 -45.6 -35.3 13.8 -15.7 -12.4 42 49 A K G 3 S+ 0 0 216 1,-0.3 -1,-0.3 3,-0.0 3,-0.0 0.545 96.1 61.1 -76.6 -4.0 12.2 -19.1 -12.7 43 50 A S G < S+ 0 0 52 -3,-3.1 2,-0.3 211,-0.0 212,-0.3 0.458 105.5 49.2 -97.0 -7.4 13.0 -19.8 -9.0 44 51 A I < - 0 0 15 -3,-1.3 210,-0.2 -4,-0.3 208,-0.0 -0.878 63.2-144.4-136.9 163.9 10.9 -16.9 -7.6 45 52 A S E -A 253 0A 43 208,-2.1 208,-2.4 -2,-0.3 2,-0.1 -0.914 36.1 -99.9-124.0 148.3 7.6 -15.1 -7.8 46 53 A P E -A 252 0A 50 0, 0.0 2,-0.8 0, 0.0 206,-0.2 -0.406 26.6-120.6 -70.1 145.9 7.0 -11.4 -7.6 47 54 A V - 0 0 3 204,-0.5 237,-0.4 1,-0.1 238,-0.1 -0.813 31.8-177.5 -82.1 110.8 5.8 -9.7 -4.3 48 55 A E + 0 0 144 -2,-0.8 2,-0.3 1,-0.1 -1,-0.1 0.688 59.5 17.3 -88.5 -23.9 2.6 -8.1 -5.5 49 56 A S + 0 0 75 236,-0.0 -1,-0.1 2,-0.0 236,-0.0 -0.987 56.8 175.7-151.0 152.3 1.6 -6.3 -2.3 50 57 A L - 0 0 22 -2,-0.3 300,-0.1 -3,-0.1 2,-0.1 -0.975 39.0 -91.6-151.2 155.3 3.0 -5.0 1.1 51 58 A P - 0 0 54 0, 0.0 300,-2.9 0, 0.0 2,-0.3 -0.401 40.1-135.9 -67.0 143.7 1.9 -3.0 4.1 52 59 A F B > -b 351 0A 120 298,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.753 14.5-121.5-101.0 149.6 2.5 0.7 4.0 53 60 A L H > S+ 0 0 9 298,-2.2 4,-1.9 -2,-0.3 299,-0.1 0.836 109.6 58.2 -57.6 -40.6 3.9 2.7 6.9 54 61 A Q H 4 S+ 0 0 146 2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.909 109.3 46.6 -58.8 -46.3 0.9 5.1 7.1 55 62 A G H 4 S+ 0 0 68 -3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.993 116.1 41.7 -50.8 -65.5 -1.4 2.1 7.6 56 63 A I H < S+ 0 0 36 -4,-1.9 2,-0.2 2,-0.0 -2,-0.2 0.562 99.1 81.6 -74.8 -17.5 0.7 0.3 10.3 57 64 A E < - 0 0 33 -4,-1.9 2,-0.3 -5,-0.2 166,-0.1 -0.552 57.4-162.3 -90.1 154.0 1.8 3.3 12.5 58 65 A T - 0 0 44 164,-0.2 604,-0.1 2,-0.2 2,-0.1 -0.803 28.8 -90.5-124.7 168.1 -0.1 5.0 15.3 59 66 A K S S+ 0 0 173 602,-0.3 602,-0.1 -2,-0.3 -1,-0.0 -0.422 88.8 44.6 -69.3 156.7 0.1 8.3 17.2 60 67 A G S S- 0 0 16 -2,-0.1 2,-0.3 600,-0.1 -2,-0.2 0.087 73.2-121.6 89.1 152.8 2.1 8.4 20.4 61 68 A E - 0 0 49 593,-0.4 2,-1.0 164,-0.0 597,-0.3 -0.987 6.6-134.2-130.7 148.2 5.6 6.9 21.0 62 69 A N >> - 0 0 0 -2,-0.3 3,-1.6 159,-0.3 4,-0.9 -0.819 21.9-174.7 -96.5 90.5 6.9 4.4 23.5 63 70 A T H 3> S+ 0 0 48 -2,-1.0 4,-2.2 590,-0.4 5,-0.2 0.782 78.9 71.9 -58.9 -29.2 10.0 6.2 24.6 64 71 A A H 34 S+ 0 0 5 1,-0.2 4,-0.3 544,-0.2 -1,-0.3 0.844 98.2 49.2 -52.2 -37.3 10.9 3.1 26.7 65 72 A L H X4 S+ 0 0 0 -3,-1.6 3,-1.1 543,-0.2 4,-0.3 0.863 105.8 54.1 -68.8 -41.7 11.7 1.4 23.3 66 73 A L H >< S+ 0 0 4 -4,-0.9 3,-1.9 1,-0.3 -2,-0.2 0.896 102.1 59.6 -59.9 -38.2 13.9 4.3 22.0 67 74 A R T 3< S+ 0 0 152 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.732 106.1 49.2 -60.5 -20.7 15.9 3.9 25.3 68 75 A Q T < S+ 0 0 14 -3,-1.1 138,-2.1 -4,-0.3 137,-1.9 0.438 95.0 103.5 -93.2 -1.1 16.5 0.3 24.0 69 76 A A E < -c 206 0A 0 -3,-1.9 2,-0.3 -4,-0.3 138,-0.2 -0.511 45.0-175.1 -96.3 151.4 17.6 1.5 20.5 70 77 A V E -c 207 0A 0 136,-1.1 138,-2.8 -2,-0.2 2,-0.4 -0.978 17.3-135.4-142.2 144.0 21.2 1.7 19.0 71 78 A V E -cd 208 120A 19 48,-2.6 50,-1.6 -2,-0.3 2,-0.4 -0.899 17.5-177.3-110.8 135.3 22.3 3.1 15.6 72 79 A L E -cd 209 121A 0 136,-2.8 138,-1.4 -2,-0.4 2,-0.5 -0.999 7.9-163.4-126.6 129.3 24.7 1.5 13.2 73 80 A K E -cd 210 122A 7 48,-2.4 50,-2.0 -2,-0.4 2,-0.2 -0.967 24.6-126.2-108.4 124.9 25.8 3.1 9.9 74 81 A L E +cd 211 123A 14 136,-2.5 138,-0.5 -2,-0.5 50,-0.1 -0.509 42.2 156.1 -67.0 137.0 27.5 0.7 7.5 75 82 A N E + d 0 124A 12 48,-2.0 50,-0.5 -2,-0.2 -1,-0.1 0.086 39.8 98.0-152.2 25.6 30.9 2.1 6.4 76 83 A G + 0 0 5 48,-0.3 51,-0.3 11,-0.1 52,-0.1 0.549 50.8 106.7-106.3 -10.6 33.0 -1.0 5.3 77 84 A G - 0 0 50 1,-0.1 11,-0.3 102,-0.1 48,-0.1 -0.234 61.8-138.8 -76.0 165.8 32.7 -1.1 1.5 78 85 A L - 0 0 21 9,-0.1 8,-1.4 102,-0.1 -1,-0.1 0.563 25.0-134.7-104.7 -12.7 35.5 -0.2 -0.8 79 86 A G > > + 0 0 17 6,-0.2 5,-2.4 4,-0.1 3,-0.8 0.817 49.1 152.0 63.8 35.7 33.5 1.8 -3.4 80 87 A T G > 5 + 0 0 35 1,-0.3 3,-2.0 3,-0.2 -1,-0.1 0.862 63.5 66.6 -70.5 -34.2 35.3 0.0 -6.3 81 88 A G G 3 5S+ 0 0 24 1,-0.3 -1,-0.3 2,-0.1 282,-0.2 0.797 108.2 39.8 -49.9 -38.0 32.3 0.5 -8.6 82 89 A M G < 5S- 0 0 2 -3,-0.8 323,-2.0 280,-0.1 -1,-0.3 0.253 125.5-103.5 -97.1 10.4 32.9 4.3 -8.4 83 90 A G T < 5S+ 0 0 38 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.798 74.1 139.7 76.7 31.7 36.7 3.8 -8.6 84 91 A L < - 0 0 25 -5,-2.4 -1,-0.2 2,-0.1 4,-0.1 -0.705 45.4-156.8-102.0 152.9 37.6 4.4 -5.0 85 92 A N S S+ 0 0 104 -2,-0.3 -6,-0.2 2,-0.1 -7,-0.1 -0.270 77.0 9.1-118.3 50.8 40.0 2.6 -2.8 86 93 A G S S- 0 0 5 -8,-1.4 2,-0.4 45,-0.0 42,-0.2 -0.967 107.7 -4.0 166.2-165.3 38.4 3.5 0.5 87 94 A P > - 0 0 7 0, 0.0 3,-1.5 0, 0.0 -9,-0.1 -0.387 36.1-163.8 -70.8 115.6 35.4 5.0 2.2 88 95 A K G > S+ 0 0 41 -2,-0.4 3,-1.8 -11,-0.3 11,-0.3 0.736 87.3 74.9 -60.2 -23.7 32.7 6.5 -0.1 89 96 A S G 3 S+ 0 0 7 1,-0.3 11,-2.0 10,-0.1 10,-1.0 0.708 84.9 63.2 -63.4 -21.2 31.4 8.3 3.0 90 97 A L G < S+ 0 0 32 -3,-1.5 -1,-0.3 9,-0.2 2,-0.2 0.385 80.0 114.6 -85.5 2.3 34.4 10.8 2.8 91 98 A L S < S- 0 0 22 -3,-1.8 8,-1.1 1,-0.1 9,-0.2 -0.539 77.4-109.8 -69.7 137.8 33.0 11.9 -0.5 92 99 A Q E +K 98 0B 121 -2,-0.2 6,-0.3 6,-0.2 3,-0.1 -0.485 41.0 170.3 -69.9 140.0 31.8 15.6 -0.6 93 100 A V E - 0 0 6 4,-3.4 2,-0.3 1,-0.4 5,-0.2 0.768 59.4 -16.2-117.2 -59.2 28.0 15.9 -0.9 94 101 A K E > S+K 97 0B 32 3,-1.3 3,-3.0 4,-0.1 -1,-0.4 -0.983 122.3 3.8-149.1 146.2 27.0 19.5 -0.3 95 102 A N T 3 S- 0 0 143 1,-0.3 3,-0.1 -2,-0.3 -3,-0.0 0.701 127.1 -57.9 59.5 24.3 28.7 22.6 1.1 96 103 A G T 3 S+ 0 0 40 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.599 108.2 133.4 71.0 10.8 32.0 20.9 1.6 97 104 A Q E < -K 94 0B 46 -3,-3.0 -4,-3.4 4,-0.0 -3,-1.3 -0.817 44.9-151.2 -92.8 129.3 30.1 18.4 3.8 98 105 A T E > -K 92 0B 9 -2,-0.5 4,-1.9 -6,-0.3 -6,-0.2 -0.302 35.8 -95.7 -84.7-179.6 30.8 14.7 3.2 99 106 A F H > S+ 0 0 0 -8,-1.1 4,-2.2 -10,-1.0 -9,-0.2 0.881 129.1 53.1 -63.2 -35.8 28.4 11.8 3.8 100 107 A L H > S+ 0 0 2 -11,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.826 102.8 55.2 -76.3 -34.1 30.1 11.4 7.2 101 108 A D H > S+ 0 0 1 -12,-0.3 4,-2.5 2,-0.2 5,-0.2 0.966 110.2 47.1 -51.4 -59.1 29.5 15.1 8.1 102 109 A F H X S+ 0 0 4 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.878 112.7 49.2 -54.0 -40.3 25.8 14.6 7.4 103 110 A T H X S+ 0 0 6 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.915 113.6 45.7 -64.3 -47.6 25.8 11.3 9.5 104 111 A A H X S+ 0 0 4 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.848 116.0 46.3 -62.8 -38.4 27.6 13.0 12.5 105 112 A L H X S+ 0 0 30 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.833 110.3 52.6 -74.8 -37.4 25.3 16.1 12.3 106 113 A Q H X S+ 0 0 26 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.909 111.5 47.2 -59.5 -44.3 22.1 13.9 12.0 107 114 A L H X S+ 0 0 12 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.907 111.3 49.9 -67.7 -45.1 23.1 12.0 15.1 108 115 A E H X S+ 0 0 97 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.889 111.6 49.0 -61.5 -41.8 23.9 15.2 17.1 109 116 A H H X S+ 0 0 47 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.905 112.1 49.3 -63.0 -44.2 20.5 16.6 16.1 110 117 A F H X S+ 0 0 37 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.956 113.1 45.6 -58.7 -55.8 18.8 13.4 17.2 111 118 A R H X>S+ 0 0 42 -4,-2.9 5,-1.5 2,-0.2 4,-0.5 0.870 116.7 45.5 -56.3 -42.9 20.5 13.3 20.5 112 119 A Q H ><5S+ 0 0 140 -4,-2.2 3,-1.6 -5,-0.2 -2,-0.2 0.996 114.5 44.7 -62.7 -65.3 19.9 17.1 21.2 113 120 A V H 3<5S+ 0 0 102 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.828 123.1 35.9 -50.7 -44.0 16.2 17.3 20.2 114 121 A R H 3<5S- 0 0 90 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.459 99.9-132.6 -91.0 -1.9 15.2 14.1 22.0 115 122 A N T <<5 + 0 0 154 -3,-1.6 2,-0.3 -4,-0.5 -3,-0.2 0.939 66.4 126.0 42.3 57.1 17.6 14.6 25.0 116 123 A C < - 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