==== 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 05-DEC-00 1HM9 . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE-1-PHOSPHATE URIDYLTRANSFE . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR G.SULZENBACHER,L.GAL,C.PENEFF,F.FASSY,Y.BOURNE . 916 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43302.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 684 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 228 24.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 5.7 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 2 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 . 85 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 3 0 3 0 3 1 2 0 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 40 8 2 4 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 PARALLEL BRIDGES PER LADDER . 4 2 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 2 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 2 A S 0 0 87 0, 0.0 93,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.1 25.2 17.4 -44.8 2 3 A N E -a 94 0A 31 41,-0.3 43,-2.9 91,-0.2 44,-0.9 -0.926 360.0-173.2-114.1 137.6 24.0 20.8 -43.8 3 4 A F E -ab 95 46A 11 91,-2.9 93,-3.2 -2,-0.4 2,-0.4 -0.895 7.7-152.1-126.7 160.8 26.3 23.3 -42.0 4 5 A A E -ab 96 47A 0 42,-2.1 44,-3.2 -2,-0.3 2,-0.5 -0.999 7.1-167.9-140.4 135.5 25.6 26.7 -40.5 5 6 A I E -ab 97 48A 0 91,-2.9 93,-2.5 -2,-0.4 2,-0.5 -0.991 8.8-164.2-120.3 122.7 27.8 29.7 -39.9 6 7 A I E -ab 98 49A 0 42,-2.5 44,-2.9 -2,-0.5 2,-0.7 -0.952 12.5-143.7-110.9 122.3 26.4 32.5 -37.7 7 8 A L E +ab 99 50A 23 91,-2.8 93,-2.1 -2,-0.5 94,-0.2 -0.757 41.9 141.2 -88.7 115.1 28.1 35.9 -37.9 8 9 A A + 0 0 7 42,-1.9 44,-0.5 -2,-0.7 -1,-0.1 0.016 40.7 91.4-144.1 32.6 28.2 37.5 -34.5 9 10 A A + 0 0 3 42,-0.3 44,-2.2 43,-0.1 42,-0.1 0.496 54.0 122.1-108.9 -5.1 31.6 39.2 -34.1 10 11 A G - 0 0 45 42,-0.1 11,-0.3 1,-0.1 12,-0.2 -0.130 65.1-127.1 -61.0 153.7 30.8 42.7 -35.4 11 12 A K - 0 0 107 63,-0.1 10,-0.2 9,-0.1 -1,-0.1 0.770 24.2-149.6 -73.3 -26.7 31.4 45.8 -33.4 12 13 A G >> + 0 0 4 8,-0.1 3,-2.6 1,-0.1 4,-0.6 0.865 28.0 169.2 59.1 39.0 27.8 47.2 -33.9 13 14 A T G >4 S+ 0 0 88 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.865 71.8 60.7 -49.5 -41.3 29.1 50.8 -33.6 14 15 A R G 34 S+ 0 0 125 1,-0.3 214,-0.4 2,-0.1 -1,-0.3 0.693 94.2 64.4 -63.1 -18.0 25.7 52.0 -34.8 15 16 A M G <4 S- 0 0 1 -3,-2.6 -1,-0.3 212,-0.2 -2,-0.2 0.739 92.3-148.4 -77.2 -21.3 24.1 50.4 -31.8 16 17 A K << + 0 0 177 -3,-1.8 2,-0.3 -4,-0.6 -3,-0.1 0.952 52.0 126.9 50.4 58.3 26.0 52.8 -29.5 17 18 A S - 0 0 37 -5,-0.3 -1,-0.2 2,-0.1 4,-0.1 -0.991 67.0-143.2-146.0 148.5 26.2 50.2 -26.8 18 19 A D S S+ 0 0 130 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.560 88.7 84.9 -85.2 -10.0 28.8 48.5 -24.7 19 20 A L S S- 0 0 67 -4,-0.1 5,-0.1 1,-0.1 -2,-0.1 -0.834 99.0-103.7 -93.4 127.8 26.7 45.3 -25.1 20 21 A P > - 0 0 4 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.190 32.5-119.6 -48.3 134.9 27.5 43.4 -28.3 21 22 A K G > S+ 0 0 18 -11,-0.3 3,-2.0 1,-0.3 10,-0.3 0.869 109.4 56.9 -47.8 -49.1 24.8 44.1 -30.8 22 23 A V G 3 S+ 0 0 12 1,-0.3 10,-2.5 -12,-0.2 11,-0.3 0.663 100.5 60.8 -63.7 -12.9 23.7 40.5 -31.2 23 24 A L G < S+ 0 0 17 -3,-2.1 -1,-0.3 7,-0.2 -2,-0.2 0.556 74.8 112.8 -90.6 -7.2 23.0 40.2 -27.4 24 25 A H S < S- 0 0 15 -3,-2.0 7,-1.9 -4,-0.4 8,-0.2 -0.420 72.1-116.0 -64.0 136.0 20.4 43.0 -27.4 25 26 A K E -I 30 0B 132 5,-0.2 2,-0.4 -2,-0.1 5,-0.3 -0.460 27.5-171.4 -83.8 148.6 17.0 41.4 -26.6 26 27 A V E > S-I 29 0B 0 3,-2.8 3,-1.3 -2,-0.2 237,-0.2 -0.981 82.5 -16.2-134.4 115.3 13.9 41.1 -28.7 27 28 A A T 3 S- 0 0 8 -2,-0.4 236,-2.9 1,-0.2 237,-0.2 0.859 134.1 -44.3 55.7 38.2 10.8 39.8 -26.8 28 29 A G T 3 S+ 0 0 21 234,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.298 123.7 69.5 98.3 -14.3 13.0 38.5 -24.0 29 30 A I E < S-I 26 0B 15 -3,-1.3 -3,-2.8 -5,-0.1 -1,-0.1 -0.952 87.1 -86.5-134.4 158.3 15.9 36.8 -25.6 30 31 A S E > -I 25 0B 2 -2,-0.3 4,-1.8 -5,-0.3 3,-0.3 -0.184 32.7-119.0 -60.9 153.2 18.9 38.0 -27.6 31 32 A M H > S+ 0 0 0 -7,-1.9 4,-2.4 -10,-0.3 3,-0.3 0.933 117.6 59.3 -56.2 -41.4 18.7 38.5 -31.3 32 33 A L H > S+ 0 0 0 -10,-2.5 4,-2.8 1,-0.3 -1,-0.2 0.879 102.5 51.0 -55.6 -41.3 21.4 35.9 -31.5 33 34 A E H > S+ 0 0 41 -11,-0.3 4,-2.4 -3,-0.3 -1,-0.3 0.874 107.0 52.5 -67.4 -34.3 19.2 33.3 -29.8 34 35 A H H X S+ 0 0 9 -4,-1.8 4,-2.0 -3,-0.3 -2,-0.2 0.941 111.8 47.7 -64.3 -42.6 16.3 34.0 -32.2 35 36 A V H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.927 109.7 52.6 -61.6 -45.0 18.8 33.3 -35.0 36 37 A F H X S+ 0 0 18 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.915 108.0 51.9 -56.7 -43.8 20.0 30.1 -33.2 37 38 A R H X S+ 0 0 115 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.900 111.5 46.0 -62.9 -39.0 16.4 28.9 -33.0 38 39 A S H >< S+ 0 0 12 -4,-2.0 3,-1.5 1,-0.2 4,-0.4 0.933 110.1 53.0 -68.5 -43.2 15.8 29.5 -36.7 39 40 A V H >< S+ 0 0 3 -4,-2.8 3,-1.9 1,-0.3 4,-0.3 0.890 98.9 66.9 -58.2 -37.2 19.1 27.8 -37.6 40 41 A G H >< S+ 0 0 40 -4,-2.2 3,-1.5 1,-0.3 -1,-0.3 0.765 86.8 69.5 -54.9 -26.9 18.0 24.8 -35.6 41 42 A A T << S+ 0 0 30 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.723 95.4 51.5 -66.5 -25.1 15.2 24.1 -38.0 42 43 A I T < S- 0 0 11 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.384 102.3-137.1 -93.2 4.2 17.6 23.0 -40.8 43 44 A Q < - 0 0 152 -3,-1.5 -41,-0.3 -4,-0.3 -3,-0.1 0.875 23.8-156.4 41.0 60.7 19.3 20.6 -38.3 44 45 A P - 0 0 25 0, 0.0 -41,-0.2 0, 0.0 3,-0.1 -0.312 19.6-138.6 -65.9 145.3 22.9 21.3 -39.3 45 46 A E S S+ 0 0 119 -43,-2.9 2,-0.3 1,-0.2 -42,-0.2 0.737 94.2 21.8 -73.2 -23.6 25.5 18.6 -38.7 46 47 A K E -b 3 0A 72 -44,-0.9 -42,-2.1 2,-0.0 2,-0.5 -0.992 66.5-166.6-147.4 136.5 27.7 21.5 -37.6 47 48 A T E -b 4 0A 21 -2,-0.3 20,-3.3 -44,-0.2 2,-0.5 -0.991 7.6-172.6-125.2 125.3 27.0 25.0 -36.4 48 49 A V E -bc 5 67A 0 -44,-3.2 -42,-2.5 -2,-0.5 2,-0.5 -0.972 4.6-164.7-124.1 121.8 29.8 27.5 -36.2 49 50 A T E -bc 6 68A 0 18,-2.9 20,-2.1 -2,-0.5 2,-0.6 -0.909 14.2-142.2-106.9 128.2 29.3 30.9 -34.6 50 51 A V E -bc 7 69A 0 -44,-2.9 -42,-1.9 -2,-0.5 2,-0.3 -0.812 23.6-178.1 -93.2 120.7 32.0 33.5 -35.3 51 52 A V E + c 0 70A 0 18,-3.0 20,-3.6 -2,-0.6 -42,-0.3 -0.814 22.6 133.0-117.3 157.3 32.7 35.8 -32.3 52 53 A G > + 0 0 13 -44,-0.5 3,-2.1 1,-0.4 2,-0.3 -0.021 53.4 69.1-158.8 -85.0 35.1 38.7 -32.0 53 54 A H T 3 S- 0 0 45 -44,-2.2 -1,-0.4 1,-0.3 5,-0.2 -0.364 132.3 -16.0 -56.0 112.4 33.9 41.9 -30.4 54 55 A K T >> S+ 0 0 59 -2,-0.3 4,-1.6 1,-0.1 3,-0.6 0.908 82.2 171.2 53.8 45.5 33.5 41.0 -26.7 55 56 A A H <> + 0 0 2 -3,-2.1 4,-2.7 1,-0.2 5,-0.2 0.818 68.5 70.5 -53.9 -32.8 33.6 37.3 -27.7 56 57 A E H 3> S+ 0 0 147 -4,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.948 102.9 39.7 -48.5 -59.2 33.7 36.6 -23.9 57 58 A L H X> S+ 0 0 83 -3,-0.6 3,-1.1 1,-0.2 4,-0.8 0.894 113.7 53.2 -59.2 -47.0 30.1 37.7 -23.4 58 59 A V H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.891 102.1 58.2 -60.5 -41.1 28.7 36.2 -26.6 59 60 A E H 3< S+ 0 0 68 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.715 94.1 71.3 -63.1 -19.2 30.1 32.8 -25.8 60 61 A E H << S+ 0 0 145 -3,-1.1 3,-0.4 -4,-0.6 2,-0.3 0.995 83.5 70.9 -57.3 -66.1 28.1 32.9 -22.6 61 62 A V S < S- 0 0 32 -4,-0.8 -1,-0.0 1,-0.2 0, 0.0 -0.363 122.9 -10.4 -58.5 115.3 24.7 32.5 -24.2 62 63 A L S S+ 0 0 48 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.980 73.7 177.6 54.2 83.8 24.4 28.9 -25.5 63 64 A A S S+ 0 0 69 -3,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.309 73.3 31.8-111.0 46.8 28.0 27.7 -25.1 64 65 A G S S+ 0 0 60 3,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.311 94.0 78.7-167.0 -29.1 27.5 24.1 -26.2 65 66 A Q S S+ 0 0 113 2,-0.0 2,-0.3 0, 0.0 -2,-0.1 0.257 107.5 22.3 -78.5 15.0 24.8 24.0 -28.9 66 67 A T S S- 0 0 12 -20,-0.0 2,-0.3 -17,-0.0 -18,-0.2 -0.981 81.5-104.5-169.7 164.1 27.4 25.3 -31.4 67 68 A E E -c 48 0A 90 -20,-3.3 -18,-2.9 -2,-0.3 2,-0.4 -0.662 34.8-143.3 -94.1 154.7 31.1 25.6 -32.1 68 69 A F E -c 49 0A 40 -2,-0.3 2,-0.4 -20,-0.2 -18,-0.2 -0.946 15.7-175.3-123.6 142.9 32.8 28.9 -31.7 69 70 A V E -c 50 0A 18 -20,-2.1 -18,-3.0 -2,-0.4 2,-0.4 -0.999 21.9-130.7-135.5 137.2 35.6 30.6 -33.7 70 71 A T E -c 51 0A 79 -2,-0.4 2,-0.7 -20,-0.2 -18,-0.2 -0.728 8.7-161.0 -94.0 135.2 37.2 33.8 -32.8 71 72 A Q - 0 0 5 -20,-3.6 -16,-0.1 -2,-0.4 9,-0.1 -0.929 8.6-167.6-110.7 98.6 37.7 36.7 -35.3 72 73 A S S S+ 0 0 75 -2,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.912 77.3 29.5 -53.4 -50.1 40.4 38.7 -33.6 73 74 A E S S- 0 0 107 -3,-0.1 2,-1.7 -20,-0.0 -1,-0.2 -0.965 82.3-130.0-117.4 133.9 39.9 41.7 -35.9 74 75 A Q + 0 0 44 -2,-0.4 3,-0.1 1,-0.2 -63,-0.1 -0.608 44.2 155.2 -81.7 84.4 36.5 42.5 -37.5 75 76 A L - 0 0 62 -2,-1.7 120,-2.8 1,-0.3 -1,-0.2 0.310 61.5 -58.4 -94.4 7.2 37.7 42.9 -41.1 76 77 A G > - 0 0 7 118,-0.3 4,-2.3 1,-0.1 -1,-0.3 -0.540 50.9 -82.3 133.2 157.9 34.3 42.1 -42.7 77 78 A T H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 119,-0.2 0.879 127.6 52.2 -60.6 -39.3 31.6 39.5 -43.0 78 79 A G H > S+ 0 0 0 117,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.912 110.2 47.1 -63.1 -44.3 33.6 37.7 -45.7 79 80 A H H > S+ 0 0 25 116,-1.1 4,-1.3 2,-0.2 -2,-0.2 0.838 107.1 58.2 -65.7 -35.7 36.6 37.6 -43.3 80 81 A A H >< S+ 0 0 5 -4,-2.3 3,-0.5 115,-0.3 4,-0.4 0.926 105.1 49.7 -61.2 -43.8 34.4 36.3 -40.5 81 82 A V H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.859 103.7 61.4 -63.7 -32.5 33.4 33.3 -42.6 82 83 A M H >< S+ 0 0 50 -4,-1.3 3,-2.3 1,-0.3 -1,-0.2 0.861 91.0 67.3 -60.6 -35.3 37.1 32.8 -43.3 83 84 A M T << S+ 0 0 54 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.712 94.1 58.9 -59.7 -18.7 37.6 32.2 -39.5 84 85 A T T X> S+ 0 0 0 -3,-1.6 4,-2.6 -4,-0.4 3,-1.7 0.528 76.4 98.5 -88.5 -3.8 35.5 29.0 -39.9 85 86 A E H <> S+ 0 0 90 -3,-2.3 4,-1.9 1,-0.3 -1,-0.2 0.879 73.2 61.0 -51.8 -43.6 37.9 27.5 -42.4 86 87 A P H 34 S+ 0 0 108 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.804 117.3 32.0 -57.4 -24.1 39.7 25.4 -39.8 87 88 A I H <4 S+ 0 0 42 -3,-1.7 -2,-0.2 -4,-0.1 -3,-0.1 0.830 133.1 23.2-100.1 -38.1 36.4 23.6 -39.1 88 89 A L H >< S+ 0 0 0 -4,-2.6 3,-2.2 2,-0.1 -3,-0.2 0.701 85.3 108.3-106.4 -20.9 34.5 23.6 -42.4 89 90 A E T 3< S+ 0 0 80 -4,-1.9 3,-0.1 -5,-0.4 88,-0.1 -0.319 87.0 24.8 -59.5 136.4 37.0 23.9 -45.3 90 91 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.3 86,-0.1 2,-0.2 0.199 95.0 114.7 97.7 -20.6 37.3 20.6 -47.0 91 92 A L < - 0 0 67 -3,-2.2 2,-0.4 85,-0.1 -1,-0.3 -0.491 59.5-132.2 -85.4 157.8 33.9 19.3 -46.1 92 93 A S + 0 0 74 -2,-0.2 2,-0.3 84,-0.1 83,-0.0 -0.878 57.0 70.4-108.5 142.6 31.1 18.7 -48.7 93 94 A G S S- 0 0 12 -2,-0.4 83,-3.0 2,-0.0 2,-0.5 -0.967 82.0 -53.0 150.3-166.7 27.5 19.9 -48.1 94 95 A H E -aD 2 175A 52 -93,-2.3 -91,-2.9 -2,-0.3 2,-0.6 -0.940 46.0-157.0-111.8 126.7 25.3 23.0 -48.0 95 96 A T E -aD 3 174A 0 79,-3.6 79,-2.3 -2,-0.5 2,-0.4 -0.902 3.3-152.9-112.9 121.5 26.4 25.8 -45.8 96 97 A L E -aD 4 173A 0 -93,-3.2 -91,-2.9 -2,-0.6 2,-0.5 -0.729 9.2-165.2 -86.3 134.6 23.9 28.3 -44.4 97 98 A V E +aD 5 172A 0 75,-2.4 75,-2.1 -2,-0.4 2,-0.3 -0.991 16.9 168.8-119.0 127.9 25.5 31.7 -43.6 98 99 A I E -a 6 0A 1 -93,-2.5 -91,-2.8 -2,-0.5 73,-0.2 -0.994 31.5-119.9-142.1 147.5 23.3 34.0 -41.5 99 100 A A E > -a 7 0A 18 -2,-0.3 3,-0.7 70,-0.2 -91,-0.2 -0.533 15.4-136.1 -84.0 153.3 23.8 37.3 -39.5 100 101 A G T 3 S+ 0 0 1 -93,-2.1 -65,-0.2 1,-0.2 -66,-0.1 0.428 100.4 63.0 -87.1 2.1 23.2 37.4 -35.8 101 102 A D T 3 S+ 0 0 26 -94,-0.2 124,-2.8 1,-0.1 -1,-0.2 0.089 80.0 79.9-114.5 25.4 21.4 40.7 -36.2 102 103 A T X + 0 0 4 -3,-0.7 3,-1.0 122,-0.2 -1,-0.1 -0.693 51.8 163.0-129.2 73.1 18.4 39.5 -38.4 103 104 A P T 3 + 0 0 2 0, 0.0 -1,-0.1 0, 0.0 121,-0.1 0.491 61.7 66.5 -73.3 -6.5 16.3 38.0 -35.6 104 105 A L T 3 + 0 0 0 119,-0.4 2,-0.3 117,-0.3 118,-0.1 0.538 68.7 108.3 -95.0 -9.1 13.0 37.9 -37.6 105 106 A I < - 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0 0 38 -3,-2.1 -23,-0.1 1,-0.1 -3,-0.0 -0.537 49.1-167.3 -71.1 131.3 33.8 39.3 103.5 624 166 B K + 0 0 86 -2,-0.3 -34,-1.9 -25,-0.1 2,-0.6 0.596 62.4 92.0 -91.2 -19.9 34.1 36.3 101.2 625 167 B E E - P 0 589F 30 -36,-0.2 -26,-2.7 -26,-0.2 2,-0.3 -0.721 65.2-166.5 -82.1 118.8 30.4 35.4 101.1 626 168 B I E -SP 598 588F 0 -38,-2.6 -38,-1.2 -2,-0.6 2,-0.5 -0.743 25.8-117.3-112.9 158.1 28.9 37.2 98.2 627 169 B N E - P 0 587F 10 -30,-2.7 -30,-0.4 -2,-0.3 -40,-0.2 -0.765 18.1-158.3 -86.5 124.5 25.4 38.0 96.9 628 170 B T E - 0 0 6 -42,-2.1 -70,-0.2 -2,-0.5 -1,-0.1 0.589 40.3-114.6 -79.6 -10.1 24.9 36.3 93.5 629 171 B G E S+ 0 0 18 1,-0.3 2,-0.4 -43,-0.3 -71,-0.2 0.559 84.4 111.1 88.0 5.2 22.2 38.7 92.6 630 172 B T E + 0 0 0 -44,-0.5 -44,-2.8 -73,-0.2 -1,-0.3 -0.954 39.0 155.5-116.0 137.0 19.6 35.9 92.5 631 173 B Y E -OP 556 585F 6 -75,-2.2 -75,-2.6 -2,-0.4 2,-0.4 -0.959 36.2-134.9-150.4 166.6 16.9 35.8 95.2 632 174 B V E -OP 555 584F 0 -48,-2.2 -48,-2.4 -2,-0.3 2,-0.3 -0.999 29.0-176.0-127.8 129.1 13.4 34.4 95.9 633 175 B F E -OP 554 583F 0 -79,-2.6 -79,-3.7 -2,-0.4 2,-0.5 -0.935 38.4-107.2-125.3 148.9 11.0 36.8 97.6 634 176 B D E > -O 553 0F 39 -52,-2.3 4,-2.5 -2,-0.3 -81,-0.2 -0.656 41.8-135.3 -66.9 123.8 7.5 36.5 99.0 635 177 B N H > S+ 0 0 0 -83,-2.9 4,-1.6 -2,-0.5 5,-0.2 0.888 96.8 49.7 -54.5 -45.8 5.9 38.5 96.2 636 178 B E H > S+ 0 0 90 -84,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.942 114.5 43.2 -58.8 -50.9 3.6 40.6 98.4 637 179 B R H > S+ 0 0 52 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.840 105.1 66.6 -66.7 -34.0 6.3 41.6 100.8 638 180 B L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.969 105.3 39.9 -50.9 -60.7 8.8 42.3 98.0 639 181 B F H X S+ 0 0 8 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.789 113.8 53.8 -65.0 -27.3 6.9 45.3 96.6 640 182 B E H >< S+ 0 0 86 -4,-1.3 3,-0.8 -5,-0.2 4,-0.4 0.936 110.6 46.6 -71.2 -42.8 6.0 46.6 99.9 641 183 B A H >< S+ 0 0 0 -4,-2.8 3,-2.1 1,-0.2 -2,-0.2 0.891 103.7 64.0 -63.9 -36.9 9.6 46.6 101.0 642 184 B L H >< S+ 0 0 5 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.800 90.3 66.5 -54.7 -33.7 10.6 48.2 97.7 643 185 B K T << S+ 0 0 141 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.737 97.8 56.2 -61.4 -22.7 8.5 51.3 98.7 644 186 B N T < S+ 0 0 102 -3,-2.1 2,-0.3 -4,-0.4 -1,-0.3 0.285 84.9 98.7 -96.6 10.1 11.1 51.9 101.5 645 187 B I < + 0 0 15 -3,-1.6 2,-0.3 -4,-0.1 9,-0.1 -0.723 46.2 177.6 -99.1 151.0 14.3 52.1 99.4 646 188 B N - 0 0 72 -2,-0.3 9,-0.5 7,-0.1 7,-0.2 -0.877 42.7 -99.8-141.2 174.0 16.0 55.3 98.3 647 189 B T S S+ 0 0 51 -2,-0.3 2,-2.0 5,-0.2 5,-0.2 0.097 71.3 128.6 -86.7 24.6 19.1 56.5 96.5 648 190 B N + 0 0 134 4,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.512 49.6 89.3 -82.1 75.5 21.1 57.3 99.6 649 191 B N S > S- 0 0 33 -2,-2.0 3,-1.6 5,-0.0 -2,-0.0 -0.952 94.6 -82.0-157.1 172.8 24.3 55.3 98.7 650 192 B A T 3 S+ 0 0 66 -2,-0.3 -2,-0.1 1,-0.3 -3,-0.0 0.686 128.8 41.1 -56.9 -19.3 27.6 55.6 96.9 651 193 B Q T 3 S- 0 0 65 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.485 100.8-130.1-108.7 -2.4 26.0 55.0 93.6 652 194 B G < + 0 0 42 -3,-1.6 2,-0.3 1,-0.2 -5,-0.2 0.902 66.2 128.5 55.2 40.9 22.9 57.1 94.1 653 195 B E S S- 0 0 60 -7,-0.2 2,-0.9 -6,-0.0 -118,-0.3 -0.834 71.1-106.6-125.9 163.6 20.8 54.2 93.0 654 196 B Y - 0 0 69 -120,-2.7 -117,-2.7 -2,-0.3 -116,-1.1 -0.818 41.9-154.3 -90.2 105.5 17.8 52.2 94.2 655 197 B Y > - 0 0 8 -2,-0.9 3,-1.2 -9,-0.5 4,-0.2 -0.698 19.2-156.0 -84.8 128.9 19.4 48.9 95.3 656 198 B I T > S+ 0 0 3 -2,-0.4 3,-1.9 1,-0.3 4,-0.3 0.845 95.6 70.0 -69.2 -27.6 17.3 45.7 95.3 657 199 B T T >> S+ 0 0 6 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.722 82.7 71.1 -61.9 -19.7 19.8 44.6 97.9 658 200 B D H <> S+ 0 0 55 -3,-1.2 4,-1.6 1,-0.2 -1,-0.3 0.695 78.8 74.8 -72.4 -16.7 18.4 47.1 100.4 659 201 B V H <> S+ 0 0 0 -3,-1.9 4,-2.5 -4,-0.2 -1,-0.2 0.777 87.9 63.5 -66.3 -20.5 15.2 45.1 100.8 660 202 B I H <> S+ 0 0 0 -3,-1.1 4,-1.8 -4,-0.3 -1,-0.2 0.943 103.2 45.5 -66.8 -45.3 17.2 42.6 102.9 661 203 B G H X S+ 0 0 21 -4,-0.6 4,-1.8 -3,-0.2 -1,-0.2 0.876 110.9 55.6 -63.6 -35.4 17.9 45.2 105.5 662 204 B I H X S+ 0 0 26 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.932 107.3 47.1 -63.5 -44.7 14.2 46.2 105.3 663 205 B F H <>S+ 0 0 0 -4,-2.5 5,-1.2 1,-0.2 4,-0.5 0.830 108.3 57.4 -66.0 -29.7 13.1 42.6 106.1 664 206 B R H ><5S+ 0 0 103 -4,-1.8 3,-0.7 -56,-0.2 -1,-0.2 0.886 104.1 52.3 -66.4 -37.4 15.6 42.6 108.9 665 207 B E H 3<5S+ 0 0 162 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.933 111.6 45.3 -64.1 -44.0 13.9 45.7 110.5 666 208 B T T 3<5S- 0 0 76 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.491 111.4-123.1 -76.8 -4.6 10.5 44.0 110.4 667 209 B G T < 5 + 0 0 62 -3,-0.7 -3,-0.2 -4,-0.5 3,-0.1 0.476 57.0 154.8 76.9 1.1 12.0 40.8 111.8 668 210 B E < - 0 0 47 -5,-1.2 2,-0.3 -6,-0.2 -1,-0.2 -0.248 54.6 -86.1 -62.4 150.4 10.7 38.8 108.8 669 211 B K - 0 0 100 -89,-0.2 -87,-3.2 -3,-0.1 -86,-1.7 -0.407 47.0-177.7 -68.8 122.5 12.7 35.6 108.0 670 212 B V E +q 583 0F 24 -2,-0.3 -63,-0.4 -89,-0.2 2,-0.3 -0.970 6.6 176.0-121.3 130.6 15.7 36.0 105.8 671 213 B G E -q 584 0F 10 -88,-3.1 -86,-2.3 -2,-0.4 2,-0.4 -0.814 22.1-140.2-129.8 172.1 17.8 33.1 104.6 672 214 B A E -q 585 0F 16 -2,-0.3 2,-0.6 -88,-0.2 -86,-0.2 -0.996 7.2-161.3-136.6 126.6 20.7 32.3 102.4 673 215 B Y E -q 586 0F 35 -88,-2.6 -86,-2.6 -2,-0.4 2,-0.4 -0.953 19.8-142.1-107.8 121.5 21.0 29.3 100.2 674 216 B T E -q 587 0F 54 -2,-0.6 -86,-0.2 -88,-0.2 -88,-0.1 -0.666 16.0-114.7 -91.5 133.9 24.6 28.6 99.2 675 217 B L - 0 0 3 -88,-3.0 3,-0.2 -2,-0.4 -86,-0.2 -0.368 12.5-143.6 -60.5 139.2 25.5 27.3 95.7 676 218 B K S S+ 0 0 178 1,-0.2 2,-0.6 -88,-0.1 -1,-0.2 0.835 96.9 42.8 -72.6 -31.5 27.0 23.8 95.7 677 219 B D S > S- 0 0 68 1,-0.1 3,-1.7 -89,-0.0 -1,-0.2 -0.918 71.7-162.7-117.9 105.9 29.4 25.0 92.9 678 220 B F G > S+ 0 0 75 -2,-0.6 3,-1.5 1,-0.3 4,-0.1 0.695 84.5 73.3 -62.6 -18.0 30.8 28.4 93.5 679 221 B D G > S+ 0 0 84 1,-0.3 3,-1.3 2,-0.1 -1,-0.3 0.843 86.7 66.4 -63.0 -32.0 31.9 28.8 89.8 680 222 B E G < S+ 0 0 18 -3,-1.7 -117,-0.3 1,-0.2 -1,-0.3 0.643 84.8 73.9 -62.8 -15.8 28.2 29.2 89.1 681 223 B S G < + 0 0 7 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.1 0.522 63.8 137.1 -79.9 -5.6 28.1 32.6 91.0 682 224 B L < - 0 0 23 -3,-1.3 2,-0.5 -4,-0.1 -119,-0.4 -0.116 37.2-161.6 -50.9 124.4 30.0 34.6 88.4 683 225 B G - 0 0 14 -122,-0.1 2,-0.8 -121,-0.1 -122,-0.2 -0.939 13.3-144.1-105.8 127.3 28.6 38.0 87.7 684 226 B V + 0 0 0 -124,-2.9 -210,-0.1 -2,-0.5 3,-0.1 -0.821 39.9 147.2 -99.9 108.8 29.8 39.4 84.4 685 227 B N + 0 0 62 -2,-0.8 2,-0.2 1,-0.1 -1,-0.2 0.569 69.7 16.4-110.0 -15.5 30.5 43.1 84.4 686 228 B D S > S- 0 0 63 -212,-0.1 4,-1.9 -211,-0.0 -212,-0.2 -0.848 88.6 -90.0-146.7-179.4 33.4 43.3 81.9 687 229 B R H > S+ 0 0 126 -214,-0.5 4,-1.9 -2,-0.2 5,-0.1 0.730 118.9 62.5 -76.1 -16.6 35.1 41.2 79.3 688 230 B V H > S+ 0 0 109 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.956 109.3 41.9 -66.9 -49.8 37.5 39.6 81.7 689 231 B A H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.858 109.6 59.0 -65.6 -34.2 34.5 38.1 83.5 690 232 B L H X S+ 0 0 23 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.901 105.3 49.4 -60.4 -40.6 32.9 37.2 80.2 691 233 B A H X S+ 0 0 59 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.867 109.4 52.0 -66.2 -35.5 36.0 35.1 79.3 692 234 B T H X S+ 0 0 60 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.921 108.7 51.0 -65.3 -41.4 35.7 33.4 82.7 693 235 B A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.945 109.3 50.4 -60.0 -46.9 32.0 32.7 81.8 694 236 B E H X S+ 0 0 62 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.915 110.5 50.7 -55.6 -41.4 33.1 31.2 78.5 695 237 B S H X S+ 0 0 24 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.922 113.3 42.8 -66.4 -42.8 35.6 29.0 80.3 696 238 B V H X S+ 0 0 13 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.922 116.7 46.8 -70.3 -43.6 33.2 27.6 82.9 697 239 B M H X S+ 0 0 1 -4,-2.8 4,-3.0 -5,-0.2 5,-0.2 0.905 111.6 52.0 -64.2 -41.9 30.4 27.1 80.4 698 240 B R H X S+ 0 0 50 -4,-2.6 4,-2.9 -5,-0.3 5,-0.3 0.923 110.4 48.7 -57.8 -46.2 32.9 25.4 78.0 699 241 B R H X S+ 0 0 98 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.894 112.2 49.2 -61.5 -40.6 34.0 23.1 80.8 700 242 B R H X S+ 0 0 77 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.935 113.6 45.0 -64.7 -49.3 30.4 22.3 81.6 701 243 B I H X S+ 0 0 4 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.945 115.9 45.3 -61.3 -49.5 29.4 21.5 78.0 702 244 B N H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.865 109.0 56.8 -66.3 -33.0 32.5 19.4 77.3 703 245 B H H X S+ 0 0 115 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.943 106.5 50.6 -60.3 -46.3 32.1 17.6 80.6 704 246 B K H X S+ 0 0 87 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.882 110.4 48.8 -58.4 -44.3 28.6 16.5 79.5 705 247 B H H <>S+ 0 0 4 -4,-1.9 5,-2.0 2,-0.2 -1,-0.2 0.916 110.8 50.3 -65.0 -39.4 29.9 15.3 76.2 706 248 B M H ><5S+ 0 0 72 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.914 108.6 51.6 -65.2 -40.7 32.7 13.3 77.8 707 249 B V H 3<5S+ 0 0 102 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.870 107.5 55.7 -61.7 -33.8 30.2 11.7 80.2 708 250 B N T 3<5S- 0 0 86 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.303 131.9 -89.4 -80.6 4.9 28.1 10.8 77.1 709 251 B G T < 5S+ 0 0 36 -3,-1.7 20,-3.1 1,-0.3 2,-0.5 0.694 81.7 133.4 97.6 19.3 31.0 8.9 75.5 710 252 B V < - 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