==== 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 2OEF . 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) . 22301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 11.0 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 . 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 . 36 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.9 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 . 9 1.9 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 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 1 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 PARALLEL BRIDGES PER LADDER . 4 3 1 1 0 1 1 0 1 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 . 4 2 2 0 0 0 1 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 7 A S 0 0 170 0, 0.0 2,-0.2 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 -2.2 -20.0 3.8 -5.0 2 8 A L - 0 0 60 1,-0.0 25,-0.0 2,-0.0 29,-0.0 -0.607 360.0-105.1 -99.9 162.2 -19.5 6.0 -8.1 3 9 A S - 0 0 72 -2,-0.2 2,-2.8 1,-0.2 -1,-0.0 0.200 43.4-120.1 -72.8 16.5 -22.1 8.1 -10.0 4 10 A A S > S+ 0 0 52 1,-0.2 4,-3.0 164,-0.0 5,-0.2 -0.152 115.8 67.7 73.1 -48.9 -22.4 5.8 -13.0 5 11 A A H > S+ 0 0 10 -2,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.887 105.0 42.2 -66.2 -35.7 -21.2 8.7 -15.1 6 12 A A H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.762 111.9 56.8 -77.6 -25.9 -18.0 8.1 -13.2 7 13 A Q H > S+ 0 0 102 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.878 102.8 52.5 -72.2 -36.9 -18.6 4.4 -13.7 8 14 A A H X S+ 0 0 29 -4,-3.0 4,-3.2 2,-0.2 -2,-0.2 0.900 109.7 50.0 -64.9 -39.4 -18.8 4.9 -17.5 9 15 A C H X S+ 0 0 0 -4,-1.3 4,-3.0 2,-0.2 5,-0.2 0.958 111.9 47.1 -62.3 -50.8 -15.4 6.7 -17.4 10 16 A V H X S+ 0 0 14 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.942 114.7 46.8 -55.6 -51.0 -13.8 3.9 -15.3 11 17 A K H X S+ 0 0 130 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.952 113.3 48.9 -55.8 -52.2 -15.3 1.3 -17.7 12 18 A K H X S+ 0 0 44 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.876 113.6 46.1 -56.5 -41.6 -14.1 3.2 -20.7 13 19 A X H <>S+ 0 0 0 -4,-3.0 5,-3.7 2,-0.2 -1,-0.2 0.821 112.8 49.5 -73.7 -31.3 -10.6 3.6 -19.4 14 20 A R H ><5S+ 0 0 129 -4,-2.5 3,-1.0 -5,-0.2 -2,-0.2 0.850 107.6 54.5 -75.2 -34.6 -10.3 -0.0 -18.3 15 21 A D H 3<5S+ 0 0 104 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.910 110.2 45.8 -64.5 -40.6 -11.5 -1.3 -21.7 16 22 A A T 3<5S- 0 0 60 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.358 120.9-113.8 -82.9 5.9 -8.7 0.8 -23.4 17 23 A K T < 5 + 0 0 188 -3,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.865 49.2 175.4 64.6 42.3 -6.3 -0.5 -20.7 18 24 A V < - 0 0 22 -5,-3.7 -1,-0.2 1,-0.1 5,-0.1 -0.658 39.5-104.3 -77.7 126.2 -5.6 2.8 -19.0 19 25 A N > - 0 0 54 -2,-0.4 4,-1.9 1,-0.1 3,-0.4 -0.099 24.7-119.8 -52.6 149.5 -3.4 2.1 -16.0 20 26 A E H > S+ 0 0 72 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.801 108.3 61.4 -61.8 -35.8 -5.1 2.3 -12.6 21 27 A A H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 108.9 45.0 -59.8 -40.8 -3.0 5.1 -11.1 22 28 A C H > S+ 0 0 3 -3,-0.4 4,-3.0 2,-0.2 5,-0.3 0.939 111.8 51.6 -66.2 -49.3 -4.3 7.3 -13.9 23 29 A I H X S+ 0 0 4 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.940 110.5 49.1 -53.5 -50.1 -7.9 6.1 -13.4 24 30 A R H X S+ 0 0 96 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.947 113.0 46.2 -55.2 -52.9 -7.8 6.8 -9.7 25 31 A T H X S+ 0 0 17 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.912 114.6 47.8 -57.3 -46.6 -6.4 10.4 -10.2 26 32 A F H X S+ 0 0 2 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.877 109.6 53.0 -64.5 -38.5 -9.0 11.1 -12.9 27 33 A I H X S+ 0 0 19 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 0.905 105.6 52.1 -66.6 -39.8 -11.9 9.8 -10.8 28 34 A A H X S+ 0 0 55 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.913 111.9 49.0 -60.3 -40.0 -11.1 12.0 -7.8 29 35 A Q H X S+ 0 0 13 -4,-1.6 4,-2.6 -5,-0.2 5,-0.3 0.938 107.9 52.9 -63.1 -47.8 -11.1 14.8 -10.3 30 36 A H H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.905 108.7 51.5 -54.6 -42.5 -14.4 13.7 -11.7 31 37 A V H X S+ 0 0 55 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.931 108.9 49.4 -61.9 -46.2 -15.8 13.7 -8.2 32 38 A X H ><>S+ 0 0 78 -4,-2.2 5,-2.0 1,-0.2 3,-0.7 0.913 112.9 46.3 -59.8 -44.4 -14.6 17.2 -7.5 33 39 A V H ><5S+ 0 0 9 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.871 107.1 59.8 -65.5 -35.7 -16.1 18.5 -10.8 34 40 A S H 3<5S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.749 101.8 53.6 -61.9 -26.7 -19.3 16.5 -9.9 35 41 A K T <<5S- 0 0 165 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.298 125.8-103.6 -90.9 8.1 -19.5 18.7 -6.7 36 42 A G T < 5 - 0 0 50 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.771 49.0-169.9 77.5 26.5 -19.4 21.8 -8.8 37 43 A E < - 0 0 67 -5,-2.0 -1,-0.2 1,-0.1 291,-0.0 -0.238 10.0-168.8 -51.9 132.7 -15.7 22.6 -8.1 38 44 A T - 0 0 111 2,-0.1 290,-0.2 243,-0.0 -1,-0.1 0.828 23.1-139.3 -92.4 -40.9 -14.9 26.1 -9.4 39 45 A G + 0 0 19 1,-0.3 242,-0.1 288,-0.1 -2,-0.1 0.225 49.6 157.6 94.2 -10.3 -11.2 26.1 -9.0 40 46 A S - 0 0 56 1,-0.1 -1,-0.3 242,-0.1 242,-0.2 -0.070 28.3-174.1 -50.8 139.6 -11.6 29.6 -7.9 41 47 A I - 0 0 17 240,-2.6 -1,-0.1 -3,-0.1 5,-0.1 -0.675 12.3-160.7-139.6 80.4 -9.0 31.3 -5.7 42 48 A P > - 0 0 41 0, 0.0 3,-2.8 0, 0.0 4,-0.4 -0.225 32.0-111.6 -61.5 150.0 -10.2 34.8 -4.5 43 49 A D G > S+ 0 0 30 1,-0.3 3,-1.5 2,-0.2 239,-0.0 0.823 117.0 66.4 -50.8 -33.1 -7.6 37.3 -3.3 44 50 A S G 3 S+ 0 0 116 1,-0.3 -1,-0.3 3,-0.0 3,-0.0 0.616 97.7 54.1 -66.2 -11.8 -9.1 36.9 0.2 45 51 A A G < S+ 0 0 45 -3,-2.8 212,-0.3 211,-0.0 2,-0.3 0.456 110.2 46.5-100.7 -5.3 -7.8 33.3 0.2 46 52 A I < - 0 0 6 -3,-1.5 210,-0.2 -4,-0.4 208,-0.0 -0.896 61.1-152.5-135.1 164.4 -4.2 34.1 -0.6 47 53 A X B -A 255 0A 104 208,-2.6 208,-3.8 -2,-0.3 -3,-0.0 -0.948 31.3-102.8-132.8 151.8 -1.4 36.4 0.5 48 54 A P - 0 0 27 0, 0.0 2,-0.7 0, 0.0 206,-0.1 -0.289 24.4-125.0 -73.5 165.4 1.6 37.6 -1.5 49 55 A V - 0 0 19 204,-0.3 248,-0.3 246,-0.3 3,-0.1 -0.944 25.1-173.5-110.0 104.4 5.1 36.3 -1.1 50 56 A D + 0 0 140 -2,-0.7 2,-0.4 1,-0.2 -1,-0.1 0.867 61.3 18.0 -71.3 -38.6 7.3 39.3 -0.4 51 57 A S + 0 0 102 313,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.994 53.2 167.5-145.4 145.8 10.8 37.6 -0.5 52 58 A L - 0 0 40 -2,-0.4 311,-0.1 -3,-0.1 309,-0.0 -0.919 42.5 -93.6-141.4 161.7 12.6 34.5 -1.7 53 59 A D - 0 0 86 309,-0.5 311,-2.6 -2,-0.3 2,-0.4 -0.297 41.4-126.9 -74.2 167.4 16.3 33.6 -2.0 54 60 A A B >> -c 364 0B 28 309,-0.2 3,-1.0 1,-0.1 4,-0.9 -0.949 10.0-139.9-123.2 141.0 18.0 34.2 -5.3 55 61 A L T 34 S+ 0 0 2 309,-2.7 3,-0.3 -2,-0.4 310,-0.1 0.813 106.9 59.9 -63.3 -28.8 20.0 31.8 -7.5 56 62 A D T 34 S+ 0 0 117 308,-0.4 -1,-0.3 1,-0.2 309,-0.1 0.755 101.4 52.4 -71.0 -24.3 22.4 34.8 -8.2 57 63 A S T <4 S+ 0 0 95 -3,-1.0 -1,-0.2 2,-0.0 -2,-0.2 0.710 95.1 90.0 -82.5 -21.0 23.2 35.1 -4.4 58 64 A L < + 0 0 33 -4,-0.9 166,-0.1 -3,-0.3 167,-0.1 -0.415 40.0 160.5 -76.1 151.5 24.1 31.4 -4.3 59 65 A T + 0 0 114 165,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.526 39.5 99.9-141.7 -24.5 27.6 30.2 -4.9 60 66 A I - 0 0 118 164,-0.1 2,-0.3 165,-0.0 167,-0.3 -0.560 54.2-154.4 -76.9 127.3 28.1 26.7 -3.5 61 67 A E - 0 0 123 -2,-0.4 163,-0.2 166,-0.1 2,-0.1 -0.705 19.8-116.8 -96.5 149.9 28.0 23.8 -5.9 62 68 A C - 0 0 11 161,-1.2 165,-0.1 -2,-0.3 2,-0.1 -0.465 38.4-100.3 -78.6 157.1 27.0 20.3 -4.8 63 69 A D >> - 0 0 109 -2,-0.1 3,-1.9 1,-0.1 4,-0.7 -0.410 37.3 -99.4 -77.6 160.2 29.7 17.6 -5.2 64 70 A N H 3> S+ 0 0 69 1,-0.3 4,-0.9 2,-0.2 -1,-0.1 0.623 115.9 73.6 -52.7 -15.7 29.5 15.2 -8.1 65 71 A A H 3> S+ 0 0 63 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.868 89.8 56.5 -68.6 -37.6 27.9 12.6 -5.9 66 72 A V H X4 S+ 0 0 16 -3,-1.9 3,-1.2 1,-0.2 142,-0.3 0.891 104.1 53.9 -61.9 -37.5 24.6 14.4 -5.8 67 73 A L H >< S+ 0 0 0 -4,-0.7 3,-1.9 1,-0.3 53,-0.3 0.786 95.5 67.3 -67.0 -27.4 24.4 14.3 -9.6 68 74 A Q H 3< S+ 0 0 51 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.743 106.2 42.8 -64.8 -21.4 24.9 10.6 -9.5 69 75 A S T << S+ 0 0 26 -3,-1.2 138,-2.5 -4,-0.6 139,-1.9 0.001 97.7 106.7-112.3 26.3 21.4 10.4 -7.9 70 76 A T E < -d 208 0B 0 -3,-1.9 50,-2.4 137,-0.2 2,-0.4 -0.849 51.1-158.7-112.1 144.2 19.8 13.0 -10.2 71 77 A V E -de 209 120B 0 137,-2.7 139,-2.5 -2,-0.4 2,-0.5 -0.983 6.9-154.7-120.1 127.9 17.3 12.5 -13.0 72 78 A V E -de 210 121B 6 48,-3.6 50,-4.0 -2,-0.4 2,-0.4 -0.907 17.1-176.7-102.9 127.2 16.9 15.2 -15.7 73 79 A L E -de 211 122B 0 137,-2.9 139,-1.5 -2,-0.5 2,-0.4 -0.993 9.8-163.9-130.5 131.8 13.5 15.2 -17.3 74 80 A K E -de 212 123B 5 48,-2.0 50,-2.4 -2,-0.4 2,-0.3 -0.941 25.5-122.5-115.7 132.5 12.2 17.3 -20.2 75 81 A L E +de 213 124B 16 137,-2.7 139,-1.7 -2,-0.4 140,-0.2 -0.575 39.9 164.6 -68.9 129.0 8.6 17.8 -21.1 76 82 A N + 0 0 3 48,-2.3 50,-0.4 -2,-0.3 -1,-0.1 -0.015 37.7 105.9-139.6 32.2 8.4 16.6 -24.8 77 83 A G + 0 0 19 48,-0.2 51,-0.2 11,-0.1 2,-0.1 0.635 58.3 102.4 -88.4 -12.8 4.7 16.1 -25.5 78 84 A G - 0 0 40 51,-0.1 11,-2.8 1,-0.0 12,-0.3 -0.402 54.9-153.6 -80.5 146.0 4.4 19.3 -27.6 79 85 A L B -J 88 0C 50 9,-0.2 3,-0.4 -2,-0.1 9,-0.2 -0.619 31.8-111.8-105.2 166.8 4.2 19.6 -31.3 80 86 A G S > >S+ 0 0 2 7,-1.6 3,-1.2 -2,-0.2 5,-1.1 -0.044 74.4 128.2 -90.3 35.8 5.2 22.7 -33.3 81 87 A T G > 5 + 0 0 94 1,-0.3 3,-3.8 3,-0.3 -1,-0.2 0.957 66.7 53.5 -53.7 -61.7 1.6 23.3 -34.2 82 88 A G G 3 5S+ 0 0 46 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.638 115.5 45.9 -50.8 -11.8 1.4 26.9 -33.1 83 89 A X G < 5S- 0 0 4 -3,-1.2 335,-2.2 2,-0.2 -1,-0.3 0.102 127.2 -97.2-118.6 19.4 4.5 27.3 -35.4 84 90 A G T < 5S+ 0 0 36 -3,-3.8 2,-0.3 1,-0.2 -3,-0.3 0.957 85.9 117.8 65.2 52.2 3.1 25.3 -38.4 85 91 A L < - 0 0 50 -5,-1.1 -1,-0.2 -4,-0.1 -2,-0.2 -0.989 46.3-168.0-146.8 149.4 4.8 22.0 -37.6 86 92 A C + 0 0 114 -2,-0.3 2,-0.2 -7,-0.1 -5,-0.1 0.264 65.9 89.8-120.9 8.3 3.5 18.6 -36.7 87 93 A D S S- 0 0 61 1,-0.2 -7,-1.6 -7,-0.1 -6,-0.1 -0.471 96.1 -65.6 -96.8 172.6 6.7 17.0 -35.6 88 94 A A B > -J 79 0C 0 -9,-0.2 3,-1.4 -2,-0.2 -9,-0.2 -0.348 41.0-132.3 -61.8 136.1 8.0 17.1 -32.0 89 95 A K G > S+ 0 0 20 -11,-2.8 3,-1.5 1,-0.3 11,-0.3 0.853 104.8 57.5 -57.1 -39.7 8.8 20.6 -30.7 90 96 A T G 3 S+ 0 0 3 -12,-0.3 11,-2.2 1,-0.3 10,-0.7 0.622 95.3 66.1 -69.9 -12.3 12.2 19.5 -29.4 91 97 A L G < S+ 0 0 26 -3,-1.4 2,-0.3 8,-0.2 -1,-0.3 0.317 75.7 114.6 -91.5 8.6 13.3 18.3 -32.8 92 98 A L S < S- 0 0 13 -3,-1.5 8,-0.9 1,-0.1 2,-0.3 -0.607 77.2-110.3 -79.3 136.2 13.2 21.8 -34.1 93 99 A E E +K 99 0D 63 -2,-0.3 6,-0.3 6,-0.2 3,-0.1 -0.522 41.5 169.3 -70.2 129.5 16.6 23.2 -35.1 94 100 A V E + 0 0 0 4,-3.4 2,-0.3 -2,-0.3 5,-0.2 0.759 60.9 0.7-108.6 -38.7 17.8 25.9 -32.8 95 101 A K E > S-K 98 0D 8 3,-2.0 3,-2.9 1,-0.0 -1,-0.3 -0.927 119.5 -16.2-161.4 134.0 21.5 26.5 -33.7 96 102 A D T 3 S- 0 0 130 -2,-0.3 3,-0.1 1,-0.3 287,-0.0 0.838 126.8 -47.4 41.7 49.1 24.1 25.2 -36.2 97 103 A G T 3 S+ 0 0 42 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.400 112.2 123.0 80.0 -4.2 22.0 22.1 -37.1 98 104 A K E < -K 95 0D 73 -3,-2.9 -4,-3.4 -5,-0.1 -3,-2.0 -0.725 47.3-152.4 -95.0 142.9 21.4 21.3 -33.4 99 105 A T E > -K 93 0D 9 -2,-0.3 4,-1.6 -6,-0.3 -6,-0.2 -0.399 36.8 -95.8 -98.8 179.0 17.8 20.9 -32.0 100 106 A F H > S+ 0 0 0 -8,-0.9 4,-1.9 -10,-0.7 3,-0.2 0.959 127.2 52.7 -60.7 -48.6 16.6 21.4 -28.5 101 107 A L H > S+ 0 0 3 -11,-2.2 4,-3.0 1,-0.2 5,-0.3 0.888 102.8 57.1 -54.1 -45.4 17.0 17.7 -27.9 102 108 A D H > S+ 0 0 4 -12,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.929 107.6 48.9 -52.2 -48.7 20.6 17.7 -29.1 103 109 A F H X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.2 -1,-0.2 0.904 113.4 43.7 -62.0 -45.0 21.6 20.3 -26.6 104 110 A T H X S+ 0 0 5 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.943 115.5 49.2 -66.7 -45.4 20.0 18.6 -23.6 105 111 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.903 114.9 45.4 -58.3 -40.4 21.4 15.2 -24.7 106 112 A L H X S+ 0 0 17 -4,-2.9 4,-2.2 -5,-0.3 -1,-0.2 0.846 110.4 52.8 -73.0 -33.3 24.8 16.8 -25.1 107 113 A Q H X S+ 0 0 18 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.948 112.6 46.4 -64.5 -44.7 24.6 18.6 -21.8 108 114 A V H X S+ 0 0 4 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.935 110.6 50.8 -59.9 -51.6 23.8 15.2 -20.2 109 115 A Q H X S+ 0 0 53 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.881 109.4 52.8 -55.2 -41.0 26.6 13.4 -22.0 110 116 A Y H X S+ 0 0 58 -4,-2.2 4,-1.5 1,-0.2 3,-0.3 0.894 110.0 46.3 -63.7 -41.8 29.0 16.0 -20.9 111 117 A L H X>S+ 0 0 26 -4,-1.9 5,-3.4 1,-0.2 4,-2.4 0.835 109.1 56.9 -70.1 -31.9 28.0 15.6 -17.2 112 118 A R H <5S+ 0 0 53 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.768 112.7 39.9 -69.7 -26.9 28.2 11.9 -17.5 113 119 A Q H <5S+ 0 0 132 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.688 127.8 29.7 -95.8 -21.8 31.8 12.0 -18.6 114 120 A H H <5S+ 0 0 113 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.660 136.8 5.6-110.8 -21.4 33.0 14.8 -16.3 115 121 A C T <5S+ 0 0 25 -4,-2.4 2,-0.3 -5,-0.2 -3,-0.2 0.698 124.5 6.2-130.5 -48.0 30.9 14.5 -13.2 116 122 A S > < - 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