==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-DEC-06 2OEG . COMPND 2 MOLECULE: UTP-GLUCOSE-1-PHOSPHATE URIDYLYLTRANSFERASE 2, . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR T.STEINER . 482 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21493.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 1 0.2 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 . 37 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 2 0 2 2 0 2 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 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 0 PARALLEL BRIDGES PER LADDER . 3 3 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 1 2 0 0 0 0 0 0 1 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 7 A S 0 0 170 0, 0.0 2,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 118.7 26.4 19.0 69.5 2 8 A L - 0 0 63 1,-0.1 25,-0.0 2,-0.1 29,-0.0 -0.411 360.0-115.8 -78.1 145.0 28.2 19.2 66.2 3 9 A S > - 0 0 63 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.274 38.7-100.7 -67.4 164.0 29.5 16.4 64.2 4 10 A A H > S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.888 123.3 53.1 -53.6 -45.2 33.3 16.3 63.7 5 11 A A H > S+ 0 0 12 2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.936 110.4 44.9 -57.9 -51.5 33.0 17.7 60.2 6 12 A A H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.924 112.2 53.0 -59.9 -43.9 30.9 20.7 61.3 7 13 A Q H X S+ 0 0 119 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.786 105.9 54.8 -62.3 -29.0 33.2 21.3 64.2 8 14 A A H X S+ 0 0 36 -4,-1.6 4,-2.4 -3,-0.3 -1,-0.2 0.843 107.1 49.8 -73.5 -35.1 36.1 21.3 61.7 9 15 A C H X S+ 0 0 0 -4,-1.6 4,-2.9 -3,-0.3 -2,-0.2 0.925 110.6 49.6 -67.4 -46.4 34.4 24.0 59.7 10 16 A V H X S+ 0 0 19 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.943 112.5 47.8 -57.0 -48.3 33.9 26.1 62.9 11 17 A K H X S+ 0 0 127 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.916 112.0 49.1 -61.0 -44.0 37.6 25.6 63.8 12 18 A K H X S+ 0 0 42 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.915 113.8 46.6 -62.3 -41.9 38.7 26.5 60.3 13 19 A X H <>S+ 0 0 0 -4,-2.9 5,-3.4 2,-0.2 -2,-0.2 0.866 112.0 49.8 -69.2 -36.8 36.5 29.7 60.4 14 20 A R H ><5S+ 0 0 125 -4,-2.8 3,-2.6 3,-0.2 -2,-0.2 0.966 110.1 50.8 -65.2 -50.3 37.7 30.7 63.9 15 21 A D H 3<5S+ 0 0 104 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.877 110.1 50.1 -54.0 -38.9 41.3 30.3 62.9 16 22 A A T 3<5S- 0 0 52 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.328 117.5-116.3 -84.3 10.5 40.7 32.5 59.8 17 23 A K T < 5 + 0 0 183 -3,-2.6 -3,-0.2 1,-0.2 2,-0.1 0.808 49.1 176.6 61.7 32.7 39.0 35.1 62.1 18 24 A V < - 0 0 22 -5,-3.4 -1,-0.2 -6,-0.1 5,-0.1 -0.470 40.8 -94.6 -71.1 140.8 35.6 34.7 60.4 19 25 A N > - 0 0 52 -2,-0.1 4,-1.8 1,-0.1 3,-0.4 -0.241 29.2-126.7 -54.0 137.4 32.9 36.8 62.1 20 26 A E H > S+ 0 0 70 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.841 107.9 55.6 -56.9 -39.5 30.9 34.8 64.7 21 27 A A H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.880 107.5 49.5 -61.8 -40.1 27.6 35.7 63.1 22 28 A C H > S+ 0 0 3 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.888 111.5 49.4 -67.3 -37.8 28.7 34.3 59.8 23 29 A I H X S+ 0 0 4 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.941 110.7 48.5 -66.7 -47.8 29.9 31.1 61.5 24 30 A R H X S+ 0 0 105 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.911 115.4 46.2 -58.7 -41.7 26.6 30.6 63.4 25 31 A T H X S+ 0 0 14 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.936 114.3 46.0 -67.2 -46.8 24.7 31.2 60.1 26 32 A F H X S+ 0 0 2 -4,-2.9 4,-2.2 1,-0.2 3,-0.3 0.916 111.3 53.1 -62.5 -43.5 26.9 28.8 58.1 27 33 A I H X S+ 0 0 19 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.897 104.4 53.6 -60.5 -42.9 26.8 26.1 60.8 28 34 A A H X S+ 0 0 53 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.836 111.0 48.7 -61.7 -30.6 23.0 26.1 61.0 29 35 A Q H X S+ 0 0 17 -4,-1.2 4,-2.6 -3,-0.3 -1,-0.2 0.891 108.8 52.2 -73.5 -40.7 23.1 25.5 57.2 30 36 A H H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.858 106.3 54.5 -62.1 -37.6 25.7 22.8 57.6 31 37 A V H X S+ 0 0 45 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.920 109.2 48.4 -63.2 -42.8 23.4 21.1 60.1 32 38 A X H ><>S+ 0 0 78 -4,-1.4 5,-1.7 2,-0.2 3,-1.4 0.975 111.7 47.9 -60.2 -57.1 20.6 21.2 57.5 33 39 A V H ><5S+ 0 0 10 -4,-2.6 3,-2.5 1,-0.3 -2,-0.2 0.913 106.9 56.0 -50.9 -50.4 22.7 19.7 54.8 34 40 A S H 3<5S+ 0 0 62 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.748 105.8 54.9 -55.4 -24.3 24.1 16.9 57.0 35 41 A K T <<5S- 0 0 156 -3,-1.4 -1,-0.3 -4,-0.9 -2,-0.2 0.382 131.3 -88.7 -92.0 3.8 20.4 15.9 57.6 36 42 A G T < 5S+ 0 0 52 -3,-2.5 -3,-0.2 1,-0.3 2,-0.2 0.272 73.7 149.6 110.7 -13.3 19.6 15.6 53.9 37 43 A E < + 0 0 79 -5,-1.7 -1,-0.3 1,-0.2 -2,-0.1 -0.397 15.9 175.6 -57.8 120.8 18.5 19.2 53.0 38 44 A T - 0 0 63 -2,-0.2 290,-0.9 2,-0.2 -1,-0.2 0.602 46.8-116.9-100.9 -19.1 19.4 19.6 49.3 39 45 A G + 0 0 5 1,-0.3 -2,-0.1 288,-0.2 290,-0.0 0.123 68.0 139.2 102.8 -17.8 17.8 23.1 49.1 40 46 A S - 0 0 44 242,-0.1 -1,-0.3 1,-0.1 242,-0.2 -0.246 40.3-158.0 -64.6 143.1 15.3 22.0 46.5 41 47 A I - 0 0 26 240,-3.4 5,-0.1 -3,-0.1 -1,-0.1 -0.940 20.2-142.3-122.7 101.6 11.7 23.2 46.7 42 48 A P > - 0 0 52 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.334 17.4-119.7 -68.9 150.0 9.4 20.8 44.8 43 49 A D G > S+ 0 0 23 1,-0.3 3,-1.3 2,-0.2 239,-0.0 0.809 112.7 61.9 -53.8 -34.9 6.5 22.0 42.7 44 50 A S G 3 S+ 0 0 121 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.704 99.7 56.9 -68.1 -18.7 4.1 19.9 44.9 45 51 A A G < S+ 0 0 44 -3,-1.8 2,-0.3 211,-0.0 -1,-0.3 0.467 106.5 49.5 -93.0 -2.5 5.1 22.1 47.9 46 52 A I < - 0 0 6 -3,-1.3 210,-0.2 -4,-0.3 208,-0.0 -0.870 59.6-154.9-134.8 168.1 4.2 25.5 46.5 47 53 A X B -A 255 0A 106 208,-2.2 208,-2.7 -2,-0.3 -3,-0.0 -0.959 30.6 -94.1-139.9 156.1 1.4 27.4 44.7 48 54 A P - 0 0 32 0, 0.0 2,-0.6 0, 0.0 206,-0.1 -0.260 31.1-123.1 -70.2 159.4 1.1 30.4 42.4 49 55 A V + 0 0 8 204,-0.2 248,-0.2 1,-0.1 3,-0.1 -0.916 29.6 176.2-102.7 121.2 0.5 33.9 43.6 50 56 A D + 0 0 147 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.483 59.5 43.3-106.5 -4.1 -2.7 35.4 42.0 51 57 A S + 0 0 88 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.877 54.1 150.7-152.2 117.4 -3.1 38.7 43.6 52 58 A L - 0 0 27 -2,-0.3 311,-0.1 -3,-0.1 2,-0.0 -0.973 45.1-107.2-137.5 150.9 -0.7 41.5 44.5 53 59 A D - 0 0 88 309,-0.5 311,-2.3 -2,-0.3 2,-0.4 -0.373 38.7-128.4 -70.2 161.0 -1.0 45.3 44.8 54 60 A A B > -b 364 0A 30 309,-0.2 3,-1.7 1,-0.1 4,-0.4 -0.934 7.7-138.9-118.6 137.3 0.6 47.2 41.9 55 61 A L G > S+ 0 0 1 309,-2.9 3,-1.5 -2,-0.4 310,-0.1 0.828 102.7 68.6 -59.7 -28.9 3.0 50.1 42.3 56 62 A D G 3 S+ 0 0 112 308,-0.4 -1,-0.3 1,-0.3 309,-0.1 0.697 94.4 56.0 -62.6 -22.1 1.1 51.8 39.3 57 63 A S G < S+ 0 0 97 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.2 0.561 91.0 93.2 -86.7 -11.7 -1.9 52.2 41.6 58 64 A L < + 0 0 30 -3,-1.5 166,-0.1 -4,-0.4 167,-0.1 -0.518 35.7 157.1 -84.6 152.6 0.1 54.2 44.2 59 65 A T + 0 0 115 -2,-0.2 2,-0.2 165,-0.1 -1,-0.1 0.526 41.3 97.1-141.9 -32.5 0.3 57.9 44.2 60 66 A I - 0 0 121 164,-0.1 2,-0.3 1,-0.0 167,-0.3 -0.481 58.6-147.6 -73.1 131.5 1.2 59.2 47.7 61 67 A E - 0 0 121 -2,-0.2 163,-0.2 166,-0.1 162,-0.1 -0.695 22.8-104.4 -96.7 151.4 4.8 59.9 48.4 62 68 A C - 0 0 17 161,-1.3 -1,-0.1 -2,-0.3 165,-0.1 -0.214 40.5 -99.1 -68.3 162.3 6.5 59.4 51.9 63 69 A D > - 0 0 94 1,-0.1 4,-2.2 163,-0.1 5,-0.2 -0.335 36.5-100.7 -79.6 165.8 7.3 62.4 54.1 64 70 A N H > S+ 0 0 115 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.878 119.6 57.7 -53.8 -43.2 10.7 63.9 54.4 65 71 A A H > S+ 0 0 70 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.966 108.1 44.8 -52.4 -59.2 11.5 62.1 57.6 66 72 A V H >4 S+ 0 0 8 1,-0.2 3,-0.7 2,-0.2 141,-0.2 0.909 113.4 50.4 -53.5 -46.7 10.9 58.7 56.2 67 73 A L H >< S+ 0 0 9 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.910 107.5 53.6 -61.0 -41.1 12.9 59.4 53.0 68 74 A Q H 3< S+ 0 0 68 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.768 103.1 58.6 -65.1 -23.9 15.8 60.7 55.1 69 75 A S T << S+ 0 0 15 -4,-1.4 138,-3.1 -3,-0.7 139,-2.3 0.226 86.1 105.8 -90.3 13.8 15.8 57.5 57.0 70 76 A T E < -c 208 0A 2 -3,-1.7 50,-0.6 137,-0.2 2,-0.3 -0.855 52.6-160.4-105.3 125.5 16.4 55.4 53.9 71 77 A V E -cd 209 120A 0 137,-3.2 139,-3.1 -2,-0.5 2,-0.5 -0.785 9.0-145.3 -98.9 143.2 19.7 53.8 53.0 72 78 A V E -cd 210 121A 18 48,-3.4 50,-3.0 -2,-0.3 2,-0.4 -0.922 18.7-179.0-110.3 128.0 20.6 52.7 49.4 73 79 A L E -cd 211 122A 0 137,-2.5 139,-1.4 -2,-0.5 2,-0.5 -0.993 12.8-161.6-132.4 136.0 22.7 49.6 48.8 74 80 A K E -cd 212 123A 4 48,-2.5 50,-2.0 -2,-0.4 2,-0.2 -0.962 23.1-127.9-112.5 126.0 23.9 48.1 45.6 75 81 A L E + d 0 124A 14 137,-2.0 139,-0.5 -2,-0.5 50,-0.1 -0.541 40.6 156.4 -70.0 137.2 25.1 44.4 45.6 76 82 A N E + d 0 125A 12 48,-1.8 50,-0.5 -2,-0.2 -1,-0.1 0.086 39.3 91.5-154.2 30.6 28.5 44.2 44.0 77 83 A G + 0 0 6 48,-0.3 51,-0.2 11,-0.1 48,-0.1 0.326 58.4 105.2-116.0 12.1 30.4 41.1 45.2 78 84 A G - 0 0 50 48,-0.1 11,-0.3 50,-0.1 2,-0.3 -0.344 63.4-120.3 -89.7 171.8 29.6 38.4 42.7 79 85 A L - 0 0 96 9,-0.1 3,-0.2 -2,-0.1 7,-0.1 -0.788 6.3-146.1-104.9 150.1 31.6 36.8 39.9 80 86 A G > > + 0 0 6 -2,-0.3 3,-2.9 7,-0.3 5,-1.6 -0.126 46.7 145.6-105.9 35.6 30.4 36.9 36.3 81 87 A T G > 5 + 0 0 88 1,-0.3 3,-2.2 3,-0.2 -1,-0.2 0.827 66.9 58.0 -37.7 -48.8 31.9 33.4 35.8 82 88 A G G 3 5S+ 0 0 31 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.734 109.6 44.1 -57.9 -26.5 29.1 32.6 33.3 83 89 A X G < 5S- 0 0 2 -3,-2.9 335,-2.4 334,-0.1 -1,-0.3 0.168 119.3-109.7-102.7 13.4 30.1 35.6 31.2 84 90 A G T < 5 + 0 0 37 -3,-2.2 -3,-0.2 -4,-0.3 2,-0.2 0.783 67.0 153.1 64.2 27.7 33.8 34.8 31.4 85 91 A L < - 0 0 26 -5,-1.6 -1,-0.2 1,-0.1 4,-0.1 -0.501 32.3-172.4 -85.8 159.1 34.4 37.8 33.6 86 92 A C + 0 0 109 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.393 68.7 31.3-128.2 -6.0 37.2 38.0 36.1 87 93 A D S S- 0 0 62 1,-0.1 -7,-0.3 -7,-0.0 42,-0.1 -0.722 108.5 -34.3-138.7-171.7 36.4 41.2 37.9 88 94 A A > - 0 0 4 40,-0.3 3,-1.6 -2,-0.2 4,-0.1 -0.239 44.2-146.9 -54.4 126.2 33.4 43.4 39.0 89 95 A K G > S+ 0 0 40 -11,-0.3 3,-2.0 1,-0.3 11,-0.3 0.852 95.2 69.0 -62.5 -32.7 30.6 43.2 36.4 90 96 A T G 3 S+ 0 0 5 1,-0.3 11,-2.3 10,-0.1 10,-0.6 0.591 86.1 68.1 -63.5 -11.5 29.7 46.8 37.2 91 97 A L G < S+ 0 0 47 -3,-1.6 -1,-0.3 9,-0.2 2,-0.2 0.438 79.3 102.5 -88.4 -0.6 33.0 48.0 35.6 92 98 A L S < S- 0 0 34 -3,-2.0 8,-1.3 -4,-0.1 9,-0.2 -0.511 83.0-101.9 -79.9 151.5 31.8 46.9 32.2 93 99 A E E +K 99 0B 96 6,-0.2 6,-0.3 -2,-0.2 3,-0.1 -0.489 36.1 175.0 -75.3 143.9 30.5 49.6 29.8 94 100 A V E S+ 0 0 2 4,-3.7 2,-0.3 1,-0.6 5,-0.2 0.676 74.5 9.0-113.9 -40.6 26.7 50.0 29.4 95 101 A K E > S-K 98 0B 43 3,-1.5 3,-3.2 0, 0.0 -1,-0.6 -0.909 114.2 -55.0-136.0 159.9 26.6 53.1 27.1 96 102 A D T 3 S- 0 0 159 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 -0.105 124.9 -9.4 -42.9 114.9 29.5 54.8 25.3 97 103 A G T 3 S+ 0 0 34 1,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.534 114.3 104.4 72.2 7.8 32.1 55.7 28.0 98 104 A K E < -K 95 0B 84 -3,-3.2 -4,-3.7 4,-0.0 -3,-1.5 -0.982 49.7-163.3-128.2 130.3 29.8 54.8 30.9 99 105 A T E > -K 93 0B 12 -2,-0.4 4,-2.0 -6,-0.3 -6,-0.2 -0.448 40.9-100.5 -98.3 173.3 29.9 51.7 33.2 100 106 A F H > S+ 0 0 0 -8,-1.3 4,-2.2 -10,-0.6 -9,-0.2 0.905 128.2 53.1 -58.4 -40.3 27.3 50.3 35.5 101 107 A L H > S+ 0 0 4 -11,-2.3 4,-2.1 -9,-0.2 -1,-0.2 0.840 104.5 55.9 -63.0 -36.1 29.3 52.0 38.3 102 108 A D H > S+ 0 0 3 -12,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.950 110.9 42.1 -61.5 -52.3 29.1 55.3 36.4 103 109 A F H X S+ 0 0 9 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.830 110.6 57.4 -66.5 -33.3 25.4 55.3 36.2 104 110 A T H X S+ 0 0 4 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.967 110.0 43.6 -61.3 -51.1 25.0 54.1 39.8 105 111 A A H X S+ 0 0 2 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.876 111.2 53.7 -60.9 -41.2 27.0 57.1 41.1 106 112 A L H X S+ 0 0 26 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.880 108.6 52.2 -62.3 -35.2 25.2 59.5 38.8 107 113 A Q H X S+ 0 0 12 -4,-2.0 4,-2.1 286,-0.2 -2,-0.2 0.946 110.8 45.3 -65.3 -48.2 22.0 58.1 40.3 108 114 A V H X S+ 0 0 6 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.968 113.7 50.4 -59.0 -52.0 23.2 58.7 43.9 109 115 A Q H X S+ 0 0 59 -4,-3.2 4,-1.5 1,-0.2 5,-0.2 0.907 108.1 52.7 -51.7 -48.9 24.4 62.2 42.9 110 116 A Y H X S+ 0 0 66 -4,-2.7 4,-1.7 1,-0.2 3,-0.3 0.911 111.0 46.5 -55.6 -46.9 21.1 63.1 41.3 111 117 A L H X>S+ 0 0 27 -4,-2.1 5,-1.5 1,-0.2 4,-0.6 0.850 109.9 53.7 -67.1 -32.6 19.2 62.0 44.5 112 118 A R H <5S+ 0 0 49 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.749 111.8 45.7 -73.6 -21.4 21.6 64.0 46.7 113 119 A Q H <5S+ 0 0 133 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.768 131.7 18.0 -90.1 -24.0 21.0 67.1 44.6 114 120 A H H <5S+ 0 0 118 -4,-1.7 -3,-0.2 -5,-0.2 3,-0.2 0.846 130.5 25.2-111.4 -61.6 17.2 66.7 44.6 115 121 A C T <5S- 0 0 42 -4,-0.6 2,-0.4 -5,-0.3 -3,-0.2 0.998 128.1 -8.7 -73.2 -69.8 15.8 64.3 47.2 116 122 A S > < - 0 0 5 -5,-1.5 3,-1.9 1,-0.1 -1,-0.2 -0.931 52.7-152.7-138.2 113.5 18.1 64.2 50.2 117 123 A E T 3 S+ 0 0 135 -2,-0.4 -5,-0.1 1,-0.3 -1,-0.1 0.720 97.9 47.4 -56.4 -24.7 21.6 65.7 50.2 118 124 A H T 3 S+ 0 0 126 2,-0.1 -1,-0.3 0, 0.0 -6,-0.1 0.006 77.1 160.6-107.2 28.1 22.9 63.2 52.7 119 125 A L < - 0 0 6 -3,-1.9 2,-0.6 -11,-0.1 -48,-0.1 -0.258 40.1-128.1 -51.8 127.6 21.5 60.1 51.1 120 126 A R E -d 71 0A 26 -50,-0.6 -48,-3.4 -52,-0.2 2,-0.4 -0.731 29.9-173.5 -85.4 117.4 23.4 57.1 52.5 121 127 A F E -d 72 0A 4 -2,-0.6 2,-0.3 -50,-0.2 -48,-0.2 -0.931 3.8-179.7-113.8 136.8 24.7 54.9 49.6 122 128 A X E -d 73 0A 0 -50,-3.0 -48,-2.5 -2,-0.4 2,-0.4 -0.912 17.3-158.9-135.4 160.0 26.4 51.6 50.0 123 129 A L E -de 74 153A 2 29,-2.3 31,-2.6 -2,-0.3 2,-0.7 -0.996 15.8-142.4-136.6 127.8 28.0 48.8 48.0 124 130 A X E -de 75 154A 3 -50,-2.0 -48,-1.8 -2,-0.4 2,-0.3 -0.845 31.5-176.1 -92.4 120.5 28.5 45.2 49.2 125 131 A D E -de 76 155A 0 29,-2.7 31,-3.0 -2,-0.7 -48,-0.3 -0.773 22.6-143.3-115.5 162.6 31.8 44.0 47.8 126 132 A S >> - 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