==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/ANTIBIOTIC 12-JUN-03 1PN3 . COMPND 2 MOLECULE: GLYCOSYLTRANSFERASE GTFA; . SOURCE 2 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS ORIENTALIS; . AUTHOR A.M.MULICHAK,H.C.LOSEY,W.LU,Z.WAWRZAK,C.T.WALSH,R.M.GARAVITO . 789 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31980.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 511 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 97 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.1 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 . 38 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.3 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 3 2 3 3 1 4 0 1 2 2 5 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 8 4 3 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 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 15 0, 0.0 29,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 139.3 19.1 96.5 24.3 2 2 A R E -a 30 0A 68 27,-0.2 92,-3.3 2,-0.0 93,-0.9 -1.000 360.0-164.9-136.2 134.2 22.1 96.0 22.0 3 3 A V E -ab 31 95A 0 27,-3.1 29,-2.0 -2,-0.4 2,-0.4 -0.945 11.1-149.5-125.7 141.3 25.6 95.5 23.2 4 4 A L E -ab 32 96A 0 91,-2.8 93,-2.5 -2,-0.4 2,-0.5 -0.908 12.9-161.0-107.0 134.5 29.0 95.7 21.5 5 5 A I E -ab 33 97A 0 27,-2.1 29,-1.9 -2,-0.4 2,-0.3 -0.971 10.5-174.1-122.7 119.0 31.8 93.4 22.7 6 6 A T E +ab 34 98A 1 91,-2.7 93,-0.6 -2,-0.5 2,-0.3 -0.769 12.7 145.6-112.1 154.3 35.4 94.2 21.9 7 7 A G E - b 0 99A 1 27,-1.6 93,-0.2 -2,-0.3 2,-0.2 -0.950 24.9-167.0-177.9 159.4 38.7 92.3 22.5 8 8 A C E + b 0 100A 6 91,-0.9 93,-2.2 -2,-0.3 2,-0.3 -0.645 50.5 80.1-161.4 95.8 42.1 91.6 21.1 9 9 A G S S- 0 0 0 1,-0.3 775,-0.2 91,-0.2 776,-0.2 -0.937 78.6 -36.3-172.7-168.9 44.2 88.8 22.7 10 10 A S S >> S- 0 0 10 774,-0.9 4,-0.9 -2,-0.3 3,-0.8 0.123 71.6 -91.6 -56.3-178.2 44.8 85.0 22.8 11 11 A R H 3> S+ 0 0 66 1,-0.2 4,-3.1 2,-0.2 -1,-0.1 0.801 128.5 61.8 -71.0 -26.0 41.7 82.7 22.6 12 12 A G H 34 S+ 0 0 24 1,-0.2 -1,-0.2 2,-0.2 285,-0.1 0.701 104.5 49.7 -70.4 -18.4 41.4 82.7 26.3 13 13 A D H <4 S+ 0 0 16 -3,-0.8 4,-0.3 771,-0.1 -1,-0.2 0.722 118.4 38.7 -88.6 -24.3 40.9 86.4 26.0 14 14 A T H >X S+ 0 0 1 -4,-0.9 4,-2.0 2,-0.1 3,-1.0 0.887 99.1 66.0 -94.9 -46.4 38.2 85.9 23.3 15 15 A E H 3X S+ 0 0 45 -4,-3.1 4,-2.0 1,-0.3 5,-0.2 0.850 100.0 56.2 -47.4 -41.0 36.1 82.9 24.2 16 16 A P H 3> S+ 0 0 20 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.899 108.3 47.6 -60.2 -39.1 34.7 84.7 27.3 17 17 A L H <> S+ 0 0 1 -3,-1.0 4,-2.4 -4,-0.3 -2,-0.2 0.881 109.9 51.8 -67.7 -40.8 33.5 87.5 25.1 18 18 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.847 108.8 52.8 -63.9 -35.1 31.9 85.2 22.6 19 19 A A H X S+ 0 0 1 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.919 108.5 49.0 -67.1 -44.2 30.1 83.5 25.5 20 20 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.929 113.1 46.9 -61.2 -46.4 28.7 86.8 26.7 21 21 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.886 111.7 50.8 -63.8 -39.7 27.5 87.7 23.3 22 22 A A H X S+ 0 0 10 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.906 112.7 47.1 -63.9 -40.8 25.9 84.3 22.8 23 23 A R H X S+ 0 0 28 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.870 109.0 55.1 -68.3 -39.4 24.2 84.6 26.1 24 24 A L H ><>S+ 0 0 0 -4,-2.4 5,-1.7 1,-0.2 3,-0.7 0.953 110.9 41.6 -60.7 -54.2 22.9 88.1 25.4 25 25 A R H 3<5S+ 0 0 80 -4,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.701 109.9 61.4 -69.5 -14.9 21.2 87.3 22.1 26 26 A E H 3<5S+ 0 0 60 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.826 104.6 47.8 -77.1 -30.4 20.0 84.2 23.8 27 27 A L T <<5S- 0 0 36 -4,-1.4 625,-0.4 -3,-0.7 626,-0.2 0.443 130.7 -94.9 -86.9 -2.0 18.2 86.4 26.3 28 28 A G T 5S+ 0 0 42 -4,-0.4 -3,-0.2 1,-0.4 -4,-0.1 0.116 90.7 117.4 110.3 -22.0 16.7 88.6 23.6 29 29 A A < - 0 0 5 -5,-1.7 2,-0.4 -6,-0.2 -1,-0.4 -0.096 63.6-119.0 -68.9 176.2 19.3 91.3 23.6 30 30 A D E -a 2 0A 50 -29,-1.5 -27,-3.1 622,-0.2 2,-0.4 -0.949 27.3-170.7-121.7 143.1 21.5 91.9 20.5 31 31 A A E -a 3 0A 0 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.992 8.7-179.1-140.8 134.7 25.2 91.5 20.4 32 32 A R E -a 4 0A 58 -29,-2.0 -27,-2.1 -2,-0.4 2,-0.3 -0.843 17.2-145.9-121.1 160.4 27.9 92.4 17.8 33 33 A M E -ac 5 50A 1 16,-0.9 18,-2.8 -2,-0.3 2,-0.4 -0.922 15.2-159.2-133.5 158.2 31.6 91.8 18.1 34 34 A C E +ac 6 51A 0 -29,-1.9 -27,-1.6 -2,-0.3 16,-0.0 -0.930 37.9 140.7-134.5 105.0 34.9 93.4 17.1 35 35 A L E - c 0 52A 0 16,-1.7 18,-2.6 -2,-0.4 -27,-0.1 -0.930 55.6 -80.1-142.1 163.1 37.8 90.9 17.1 36 36 A P > - 0 0 0 0, 0.0 3,-2.2 0, 0.0 20,-0.2 -0.310 54.4 -98.3 -64.3 152.4 40.9 90.1 15.1 37 37 A P G > S+ 0 0 54 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.670 112.8 84.8 -42.7 -22.4 40.3 88.0 11.9 38 38 A D G 3 S+ 0 0 40 1,-0.3 3,-0.3 17,-0.2 4,-0.3 0.854 89.3 46.7 -51.7 -40.0 41.3 84.9 14.0 39 39 A Y G <> S+ 0 0 8 -3,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.200 75.9 102.9 -96.9 19.0 37.8 84.5 15.4 40 40 A V H <> S+ 0 0 66 -3,-1.5 4,-2.8 2,-0.2 5,-0.3 0.958 86.1 45.4 -64.3 -50.4 35.5 84.8 12.3 41 41 A E H > S+ 0 0 162 -4,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.932 113.5 50.1 -57.6 -49.3 35.0 81.0 12.0 42 42 A R H > S+ 0 0 20 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.927 112.7 47.1 -55.6 -48.2 34.3 80.6 15.7 43 43 A C H X>S+ 0 0 2 -4,-2.4 5,-2.3 2,-0.2 4,-1.5 0.931 113.5 45.9 -61.1 -48.5 31.8 83.5 15.7 44 44 A A H <5S+ 0 0 80 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.869 111.2 57.0 -61.4 -33.9 29.9 82.3 12.6 45 45 A E H <5S+ 0 0 92 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.901 112.5 38.1 -63.4 -43.0 30.1 78.9 14.4 46 46 A V H <5S- 0 0 39 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.588 115.0-116.0 -85.7 -11.1 28.3 80.2 17.4 47 47 A G T <5 + 0 0 42 -4,-1.5 -3,-0.2 1,-0.2 -4,-0.1 0.758 67.2 138.4 83.8 25.7 26.0 82.4 15.4 48 48 A V < - 0 0 5 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.909 55.7-121.4-109.3 118.3 27.2 85.8 16.7 49 49 A P - 0 0 56 0, 0.0 -16,-0.9 0, 0.0 2,-0.3 -0.291 39.9-178.5 -55.9 136.0 27.7 88.6 14.2 50 50 A M E -c 33 0A 35 -18,-0.2 -16,-0.2 -10,-0.0 -18,-0.0 -0.999 26.4-145.4-145.4 145.5 31.3 89.8 14.2 51 51 A V E -c 34 0A 54 -18,-2.8 -16,-1.7 -2,-0.3 2,-0.5 -0.935 25.1-129.8-110.1 124.0 33.4 92.5 12.5 52 52 A P E -c 35 0A 60 0, 0.0 2,-0.4 0, 0.0 -18,-0.0 -0.641 31.5-176.7 -76.3 119.0 37.1 91.6 11.8 53 53 A V - 0 0 2 -18,-2.6 29,-0.1 -2,-0.5 28,-0.0 -0.968 38.8 -27.2-126.0 130.9 39.4 94.3 13.1 54 54 A G S S- 0 0 24 -2,-0.4 -19,-0.1 -18,-0.1 24,-0.0 -0.196 95.2 -20.2 73.3-163.2 43.2 94.6 12.8 55 55 A R S S- 0 0 50 -19,-0.1 2,-0.3 1,-0.1 -17,-0.2 -0.165 71.8 -91.4 -76.5 169.8 45.8 91.9 12.5 56 56 A A - 0 0 9 -20,-0.2 -1,-0.1 1,-0.1 5,-0.1 -0.622 24.6-148.6 -83.0 141.3 45.6 88.2 13.3 57 57 A V S S+ 0 0 3 -2,-0.3 2,-0.5 -48,-0.1 -1,-0.1 0.871 79.9 72.3 -79.0 -37.1 46.7 87.2 16.9 58 58 A R S > S- 0 0 88 1,-0.1 3,-1.6 727,-0.1 -2,-0.1 -0.680 76.5-142.5 -84.2 125.8 48.0 83.8 16.0 59 59 A A G > S+ 0 0 65 -2,-0.5 3,-2.5 1,-0.3 2,-0.6 0.937 96.8 66.2 -47.5 -57.6 51.3 83.8 14.0 60 60 A G G 3 S+ 0 0 56 1,-0.3 -1,-0.3 200,-0.3 -2,-0.1 0.330 99.5 54.3 -52.7 10.8 50.2 80.9 11.8 61 61 A A G < S+ 0 0 53 -3,-1.6 -1,-0.3 -2,-0.6 2,-0.3 0.088 102.2 66.3-131.7 20.6 47.5 83.1 10.3 62 62 A R S < S- 0 0 41 -3,-2.5 5,-0.0 -7,-0.1 -7,-0.0 -0.896 92.8 -77.9-138.0 167.2 49.7 86.0 9.2 63 63 A E > - 0 0 133 -2,-0.3 3,-1.5 1,-0.1 -2,-0.1 -0.355 52.6-106.0 -63.5 145.2 52.4 86.8 6.7 64 64 A P T 3 S+ 0 0 144 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.753 117.9 35.9 -42.9 -33.9 55.9 85.6 7.9 65 65 A G T 3 S+ 0 0 68 2,-0.1 2,-1.0 1,-0.0 -2,-0.0 0.508 82.6 107.7-106.2 -5.2 56.8 89.2 8.7 66 66 A E < - 0 0 54 -3,-1.5 -4,-0.0 -7,-0.1 -1,-0.0 -0.634 65.8-138.2 -79.0 106.4 53.7 90.9 10.0 67 67 A L - 0 0 83 -2,-1.0 -4,-0.1 1,-0.1 -2,-0.1 -0.053 31.2 -84.4 -54.1 163.0 54.4 91.3 13.8 68 68 A P > - 0 0 13 0, 0.0 3,-1.7 0, 0.0 6,-0.3 -0.274 37.6-110.8 -68.4 159.1 51.5 90.6 16.2 69 69 A P T 3 S+ 0 0 5 0, 0.0 9,-0.1 0, 0.0 -12,-0.1 0.747 118.0 60.4 -63.8 -24.1 49.0 93.4 17.0 70 70 A G T 3 S+ 0 0 4 -13,-0.1 2,-0.3 8,-0.0 712,-0.2 0.564 79.5 116.4 -79.8 -7.2 50.3 93.6 20.5 71 71 A A X - 0 0 9 -3,-1.7 3,-1.3 1,-0.2 4,-0.2 -0.481 65.3-143.6 -66.3 120.8 53.7 94.5 19.0 72 72 A A G > S+ 0 0 45 -2,-0.3 3,-4.0 1,-0.3 4,-0.4 0.945 94.7 72.5 -46.9 -57.2 54.7 98.1 20.0 73 73 A E G 3 S+ 0 0 152 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.748 109.0 31.1 -24.9 -50.2 56.2 98.6 16.6 74 74 A V G <> S+ 0 0 18 -3,-1.3 4,-1.3 -6,-0.3 -1,-0.3 0.184 83.2 115.3-105.5 17.8 52.8 98.7 15.0 75 75 A V H X> S+ 0 0 6 -3,-4.0 4,-2.0 1,-0.2 3,-0.7 0.901 74.8 53.7 -53.5 -50.3 50.7 100.3 17.9 76 76 A T H 3> S+ 0 0 88 -4,-0.4 4,-2.3 1,-0.3 -1,-0.2 0.920 105.5 54.6 -53.5 -44.8 49.8 103.5 16.0 77 77 A E H 3> S+ 0 0 82 2,-0.2 4,-2.4 -3,-0.2 -1,-0.3 0.857 109.7 51.2 -56.2 -34.3 48.4 101.5 13.1 78 78 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 3,-1.9 0.913 85.2 72.6 -55.8 -47.1 34.4 100.2 15.2 87 87 A P H 3> S+ 0 0 39 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.841 93.4 50.3 -33.7 -64.2 32.0 103.0 14.2 88 88 A A H 34 S+ 0 0 74 -4,-0.3 -2,-0.2 -3,-0.3 -3,-0.1 0.815 120.3 40.2 -50.2 -30.6 29.8 101.0 11.8 89 89 A A H << S+ 0 0 5 -3,-1.9 -1,-0.2 -4,-0.6 -3,-0.1 0.880 111.3 50.3 -87.9 -44.8 29.5 98.5 14.6 90 90 A I H >< S+ 0 0 5 -4,-2.6 3,-2.0 2,-0.1 -2,-0.2 0.755 87.6 105.5 -67.9 -23.4 29.2 100.6 17.8 91 91 A E T 3< S+ 0 0 114 -4,-2.1 3,-0.1 -5,-0.4 24,-0.0 -0.346 85.5 19.6 -58.6 134.5 26.4 102.6 16.1 92 92 A G T 3 S+ 0 0 52 1,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.535 99.2 131.4 81.5 7.5 23.0 101.6 17.5 93 93 A C < - 0 0 7 -3,-2.0 -1,-0.3 1,-0.1 -90,-0.2 -0.611 45.8-164.0 -96.0 155.8 24.6 100.2 20.6 94 94 A D S S+ 0 0 30 -92,-3.3 2,-0.3 1,-0.3 -91,-0.2 0.563 73.7 9.6-109.7 -16.3 23.6 100.7 24.2 95 95 A A E -b 3 0A 2 -93,-0.9 -91,-2.8 22,-0.2 2,-0.4 -0.985 59.7-141.4-163.5 153.3 26.7 99.4 26.0 96 96 A V E -bd 4 119A 1 22,-2.2 24,-2.1 -2,-0.3 2,-0.4 -0.972 9.9-174.6-125.5 134.6 30.3 98.2 25.3 97 97 A V E +bd 5 120A 0 -93,-2.5 -91,-2.7 -2,-0.4 2,-0.3 -0.997 20.2 167.5-125.3 127.2 32.2 95.4 27.0 98 98 A T E +bd 6 121A 1 22,-2.4 24,-1.8 -2,-0.4 2,-0.3 -0.858 14.2 176.9-137.1 171.1 35.8 95.0 26.1 99 99 A T E +b 7 0A 8 -93,-0.6 -91,-0.9 -2,-0.3 2,-0.2 -0.973 43.0 29.3-166.1 160.4 39.0 93.2 27.1 100 100 A G E S+b 8 0A 8 22,-0.4 -91,-0.2 -2,-0.3 5,-0.2 -0.482 87.2 50.1 89.2-157.4 42.6 92.8 26.0 101 101 A L > - 0 0 2 -93,-2.2 4,-2.2 682,-0.3 3,-0.3 0.161 64.4-148.4 -26.4 108.3 45.0 95.1 24.1 102 102 A L H > S+ 0 0 0 679,-2.8 4,-3.0 1,-0.2 5,-0.3 0.852 90.8 62.9 -53.5 -44.5 44.8 98.4 25.9 103 103 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.948 112.8 35.9 -48.3 -54.3 45.4 100.6 22.8 104 104 A A H > S+ 0 0 2 -3,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.858 112.3 60.8 -68.1 -36.1 42.2 99.3 21.2 105 105 A A H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.926 109.2 42.9 -56.1 -46.0 40.5 99.2 24.6 106 106 A V H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.937 111.1 54.1 -65.5 -48.5 41.0 103.0 24.9 107 107 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.903 112.6 45.5 -52.6 -42.7 40.1 103.6 21.2 108 108 A V H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.912 108.3 53.8 -68.7 -45.3 36.8 101.7 21.9 109 109 A R H X S+ 0 0 55 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.891 106.1 57.8 -55.8 -40.0 36.0 103.5 25.2 110 110 A S H >X S+ 0 0 4 -4,-2.5 4,-2.0 1,-0.2 3,-1.5 0.978 105.6 45.7 -53.3 -62.8 36.4 106.7 23.3 111 111 A M H 3X S+ 0 0 10 -4,-1.7 4,-1.1 1,-0.3 -1,-0.2 0.761 111.0 53.6 -55.8 -26.0 33.7 105.9 20.7 112 112 A A H 3X>S+ 0 0 1 -4,-1.7 5,-1.7 2,-0.2 4,-1.5 0.780 107.9 52.9 -77.3 -25.9 31.5 104.8 23.6 113 113 A E H <<5S+ 0 0 81 -4,-1.5 -2,-0.2 -3,-1.5 -1,-0.2 0.880 104.9 52.6 -74.6 -40.8 32.1 108.2 25.1 114 114 A K H <5S+ 0 0 128 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.821 114.7 43.7 -65.0 -30.4 31.1 110.1 21.9 115 115 A L H <5S- 0 0 82 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.774 107.3-125.4 -84.8 -29.5 27.8 108.1 21.9 116 116 A G T <5 + 0 0 53 -4,-1.5 -3,-0.2 1,-0.3 -4,-0.1 0.629 62.6 138.4 92.5 15.0 27.2 108.5 25.6 117 117 A I < - 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0 0 0 -66,-0.4 -64,-3.1 18,-0.2 2,-0.4 -0.936 61.3-109.1-169.8-178.8 43.0 64.2 33.9 290 290 A A E -hj 225 309C 0 18,-1.4 20,-2.3 -2,-0.3 2,-0.5 -0.994 11.1-159.8-137.1 132.5 44.5 67.1 31.9 291 291 A I E +hj 226 310C 1 -66,-3.9 -64,-2.1 -2,-0.4 2,-0.3 -0.945 41.0 129.8-107.2 124.3 48.1 68.3 31.6 292 292 A H E -hj 227 311C 0 18,-2.3 20,-2.4 -2,-0.5 -64,-0.2 -0.944 50.5 -61.7-161.7-178.3 48.2 71.9 30.4 293 293 A H E - j 0 312C 23 -66,-0.6 2,-1.8 -2,-0.3 20,-0.1 -0.221 56.0 -93.8 -75.0 161.3 49.3 75.5 30.6 294 294 A D S S+ 0 0 47 18,-0.8 2,-0.3 17,-0.1 -1,-0.1 -0.602 75.7 141.9 -75.8 87.2 48.8 78.0 33.4 295 295 A S > - 0 0 27 -2,-1.8 4,-1.0 1,-0.1 5,-0.2 -0.949 56.1-132.5-135.0 154.7 45.7 79.5 31.9 296 296 A A H > S+ 0 0 28 -2,-0.3 4,-2.0 2,-0.1 5,-0.2 0.990 99.3 41.6 -67.6 -64.0 42.3 80.9 33.1 297 297 A G H > S+ 0 0 37 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.840 116.6 44.2 -55.7 -45.2 39.8 79.2 30.7 298 298 A T H > S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.894 111.7 53.4 -70.6 -40.8 41.2 75.7 30.6 299 299 A T H X S+ 0 0 0 -4,-1.0 4,-0.8 1,-0.2 -2,-0.2 0.918 112.9 44.1 -60.8 -44.2 41.9 75.4 34.3 300 300 A L H X S+ 0 0 9 -4,-2.0 4,-2.6 2,-0.2 3,-0.5 0.915 111.0 52.8 -68.9 -43.0 38.3 76.4 35.1 301 301 A L H X S+ 0 0 26 -4,-2.0 4,-0.7 1,-0.3 -1,-0.2 0.877 110.6 47.9 -60.7 -36.7 36.7 74.1 32.5 302 302 A A H X>S+ 0 0 0 -4,-2.1 5,-1.5 2,-0.2 4,-0.5 0.704 110.5 54.2 -75.7 -19.7 38.7 71.2 33.8 303 303 A M H ><5S+ 0 0 4 -4,-0.8 3,-0.5 -3,-0.5 -2,-0.2 0.882 110.6 42.2 -81.1 -41.1 37.6 72.2 37.3 304 304 A R H 3<5S+ 0 0 75 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.660 109.8 62.7 -77.2 -11.4 33.9 72.2 36.4 305 305 A A H 3<5S- 0 0 30 -4,-0.7 -1,-0.2 -5,-0.3 -2,-0.2 0.726 105.8-134.7 -80.1 -24.4 34.7 69.0 34.5 306 306 A G T <<5 + 0 0 11 -3,-0.5 -3,-0.2 -4,-0.5 -2,-0.1 0.618 60.3 127.0 80.2 14.7 35.7 67.5 37.8 307 307 A I < - 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0 0 52 -2,-0.3 3,-2.2 4,-0.1 -1,-0.1 -0.326 56.9 -79.1 -69.0 152.3 18.4 75.7 12.7 456 64 B P T 3 S+ 0 0 147 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.641 124.0 7.7 -13.8 -73.9 17.1 77.9 9.7 457 65 B G T 3 S+ 0 0 65 2,-0.1 2,-0.1 0, 0.0 -2,-0.1 0.324 91.7 138.5-104.5 9.3 14.0 75.9 8.7 458 66 B E < - 0 0 74 -3,-2.2 -4,-0.1 -7,-0.1 0, 0.0 -0.348 49.3-134.7 -58.5 121.6 14.0 73.5 11.6 459 67 B L - 0 0 69 -2,-0.1 -4,-0.1 1,-0.1 -1,-0.1 -0.401 22.0-102.4 -77.7 155.9 10.4 73.0 12.8 460 68 B P > - 0 0 15 0, 0.0 3,-2.7 0, 0.0 -11,-0.1 -0.387 33.8-101.7 -77.7 157.0 9.5 73.1 16.5 461 69 B P T 3 S+ 0 0 7 0, 0.0 -12,-0.1 0, 0.0 9,-0.1 0.623 122.0 57.1 -51.3 -14.9 8.8 69.9 18.6 462 70 B G T 3 S+ 0 0 2 -13,-0.1 327,-0.1 3,-0.0 328,-0.1 0.585 75.3 119.5 -96.0 -10.6 5.1 70.7 18.2 463 71 B A X - 0 0 12 -3,-2.7 3,-1.7 1,-0.1 4,-0.2 -0.305 62.9-139.8 -57.6 131.4 5.0 70.8 14.4 464 72 B A G > S+ 0 0 38 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.904 99.8 69.5 -59.5 -40.7 2.5 68.2 13.1 465 73 B E G 3 S+ 0 0 149 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.431 105.3 41.2 -59.3 3.4 5.0 67.4 10.3 466 74 B V G <> S+ 0 0 8 -3,-1.7 4,-2.5 -6,-0.1 -1,-0.3 0.359 71.8 110.6-136.6 9.2 7.3 65.9 13.0 467 75 B V H <> S+ 0 0 9 -3,-1.7 4,-3.0 1,-0.2 5,-0.3 0.926 84.5 50.4 -48.4 -54.1 5.2 63.8 15.4 468 76 B T H > S+ 0 0 89 -4,-0.3 4,-2.4 1,-0.3 -1,-0.2 0.896 111.4 47.9 -51.8 -46.6 6.7 60.5 14.2 469 77 B E H > S+ 0 0 78 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.870 111.6 52.6 -63.7 -36.6 10.2 61.9 14.5 470 78 B V H X S+ 0 0 7 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.956 110.3 44.9 -64.2 -53.2 9.3 63.1 18.0 471 79 B V H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 5,-0.3 0.912 113.9 50.8 -58.1 -45.4 8.0 59.7 19.2 472 80 B A H X S+ 0 0 30 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.980 109.0 51.1 -55.9 -58.3 11.0 57.9 17.7 473 81 B E H X S+ 0 0 49 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.889 113.3 43.5 -44.9 -55.4 13.4 60.3 19.4 474 82 B W H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.931 111.3 50.5 -61.2 -52.3 11.9 59.9 22.9 475 83 B F H < S+ 0 0 12 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.846 117.1 47.6 -54.7 -30.8 11.5 56.1 22.8 476 84 B D H < S+ 0 0 120 -4,-2.0 4,-0.3 -5,-0.3 -2,-0.2 0.898 119.2 32.4 -78.9 -43.8 15.1 56.1 21.7 477 85 B K H < S+ 0 0 73 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.481 105.0 70.7 -97.8 0.2 16.7 58.5 24.2 478 86 B V S >X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 3,-2.6 0.888 82.4 68.2 -83.2 -39.9 14.6 57.9 27.4 479 87 B P H 3> S+ 0 0 61 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.881 98.7 51.5 -45.1 -49.8 15.8 54.3 28.3 480 88 B A H 34 S+ 0 0 93 -4,-0.3 -2,-0.1 1,-0.2 -3,-0.1 0.543 116.9 43.0 -68.4 -5.1 19.3 55.5 29.2 481 89 B A H <4 S+ 0 0 5 -3,-2.6 -1,-0.2 -4,-0.0 -3,-0.1 0.791 111.5 47.8-105.9 -43.9 17.6 58.1 31.5 482 90 B I H >< S+ 0 0 4 -4,-2.7 3,-1.3 -86,-0.1 -2,-0.2 0.447 82.7 126.7 -78.4 0.1 14.8 56.2 33.2 483 91 B E T 3< S+ 0 0 48 -4,-0.8 -3,-0.0 -5,-0.3 24,-0.0 -0.393 82.9 3.9 -60.8 130.4 17.4 53.5 33.9 484 92 B G T 3 S+ 0 0 56 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.892 97.2 145.8 59.2 43.2 17.3 52.8 37.7 485 93 B C < - 0 0 7 -3,-1.3 -1,-0.2 1,-0.1 -90,-0.2 -0.927 41.5-158.8-115.0 137.7 14.4 55.2 38.3 486 94 B D S S- 0 0 61 -92,-3.3 2,-0.3 -2,-0.4 -91,-0.2 0.822 74.3 -1.6 -82.2 -33.1 11.7 54.6 40.9 487 95 B A E -n 395 0E 2 -93,-1.0 -91,-2.2 22,-0.2 2,-0.4 -0.969 61.2-135.5-152.9 165.3 9.0 56.9 39.4 488 96 B V E -np 396 511E 0 22,-2.4 24,-2.8 -2,-0.3 2,-0.5 -0.991 8.8-168.2-133.2 130.4 8.4 59.3 36.6 489 97 B V E +np 397 512E 0 -93,-2.3 -91,-2.4 -2,-0.4 2,-0.3 -0.972 19.7 176.4-118.8 121.2 6.7 62.8 36.5 490 98 B T E +np 398 513E 2 22,-2.7 24,-1.7 -2,-0.5 2,-0.3 -0.835 13.7 164.2-125.9 160.5 5.8 64.3 33.1 491 99 B T E +n 399 0E 6 -93,-0.7 -91,-0.8 -2,-0.3 2,-0.2 -0.954 43.7 36.5-161.8 162.3 4.1 67.3 31.6 492 100 B G E S+n 400 0E 7 22,-0.4 -91,-0.2 -2,-0.3 300,-0.1 -0.500 86.6 42.1 93.8-160.7 3.9 69.0 28.2 493 101 B L > - 0 0 2 -93,-2.8 4,-1.4 298,-0.3 297,-0.2 0.137 66.7-140.1 -30.0 122.4 3.8 67.6 24.6 494 102 B L H >> S+ 0 0 1 295,-3.5 4,-3.0 1,-0.2 3,-0.5 0.929 94.1 51.8 -57.8 -59.0 1.5 64.6 24.4 495 103 B P H 3> S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.869 112.4 48.0 -50.9 -38.5 3.4 62.2 22.0 496 104 B A H 3> S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.834 111.2 52.3 -70.7 -30.7 6.5 62.5 24.2 497 105 B A H S+ 0 0 1 -4,-2.2 5,-1.5 1,-0.3 4,-0.4 0.782 111.4 54.7 -42.1 -27.5 7.6 53.5 33.0 505 113 B E H ><5S+ 0 0 78 -4,-1.7 3,-1.2 2,-0.2 -1,-0.3 0.954 104.5 49.7 -72.2 -52.3 5.2 50.7 32.0 506 114 B K H 3<5S+ 0 0 55 -4,-2.2 -2,-0.2 -3,-0.5 -1,-0.2 0.930 116.9 42.7 -51.5 -47.7 8.0 48.5 30.6 507 115 B L T 3<5S- 0 0 91 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.572 108.1-129.7 -76.5 -8.7 9.9 49.1 33.9 508 116 B G T < 5 + 0 0 51 -3,-1.2 -3,-0.2 -5,-0.4 -4,-0.1 0.626 61.1 138.0 70.1 12.4 6.7 48.7 35.9 509 117 B I < - 0 0 28 -5,-1.5 -1,-0.2 -6,-0.2 -22,-0.2 -0.556 60.2 -91.6 -89.6 155.5 7.4 51.9 37.8 510 118 B P - 0 0 10 0, 0.0 -22,-2.4 0, 0.0 2,-0.4 -0.399 37.1-161.0 -70.6 139.8 4.7 54.6 38.6 511 119 B Y E -p 488 0E 17 -24,-0.2 2,-0.4 -2,-0.1 -22,-0.2 -0.970 4.7-168.7-124.3 135.6 4.1 57.5 36.2 512 120 B R E -p 489 0E 56 -24,-2.8 -22,-2.7 -2,-0.4 2,-0.3 -0.987 5.5-158.5-127.8 127.4 2.4 60.8 37.0 513 121 B Y E -p 490 0E 7 -2,-0.4 57,-3.5 52,-0.3 2,-0.4 -0.798 14.0-160.3-101.6 149.5 1.2 63.4 34.5 514 122 B T E -q 570 0F 1 -24,-1.7 -22,-0.4 -2,-0.3 2,-0.3 -0.984 12.0-162.6-135.4 141.7 0.6 67.0 35.6 515 123 B V E -q 571 0F 6 55,-3.0 57,-1.9 -2,-0.4 6,-0.0 -0.853 17.0-142.4-114.9 154.8 -1.3 70.0 34.3 516 124 B L S S+ 0 0 49 -2,-0.3 55,-0.1 55,-0.2 3,-0.1 0.416 80.3 29.6 -99.9 2.0 -0.6 73.5 35.4 517 125 B S S > S- 0 0 27 56,-0.1 3,-1.3 1,-0.1 4,-0.2 -0.983 77.4-116.9-155.7 149.7 -4.2 74.9 35.5 518 126 B P G > S+ 0 0 2 0, 0.0 3,-2.4 0, 0.0 6,-0.2 0.856 107.5 73.8 -56.0 -35.3 -7.7 73.5 36.1 519 127 B D G 3 S+ 0 0 69 1,-0.3 5,-0.1 4,-0.1 0, 0.0 0.796 96.9 47.0 -44.5 -41.1 -8.5 74.5 32.5 520 128 B H G < S+ 0 0 52 -3,-1.3 -1,-0.3 3,-0.1 5,-0.1 0.342 81.4 115.7 -92.0 6.4 -6.5 71.6 31.2 521 129 B L S X S- 0 0 0 -3,-2.4 3,-2.2 -4,-0.2 4,-0.2 -0.553 72.1-129.5 -72.9 138.8 -7.8 68.9 33.4 522 130 B P G > S+ 0 0 8 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.739 107.4 66.3 -62.1 -19.3 -9.6 66.3 31.4 523 131 B S G 3 S+ 0 0 32 1,-0.2 62,-0.1 -5,-0.1 4,-0.1 0.463 98.5 51.6 -81.2 -0.3 -12.5 66.7 33.9 524 132 B E G < S+ 0 0 49 -3,-2.2 2,-0.3 -6,-0.2 -1,-0.2 0.260 93.7 86.3-115.9 7.7 -13.0 70.2 32.7 525 133 B Q S < S- 0 0 30 -3,-1.0 -5,-0.0 -4,-0.2 -6,-0.0 -0.809 87.1-110.7-103.3 147.8 -13.2 69.3 29.0 526 134 B S > - 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