==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-SEP-02 1MP5 . COMPND 2 MOLECULE: Y177F VARIANT OF S. ENTERICA RMLA BOUND TO UDP- . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA; . AUTHOR W.A.BARTON,J.B.BIGGINS,J.JIANG,J.S.THORSON,D.B.NIKOLOV . 1156 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43262.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 841 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 9.4 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 . 7 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 99 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 303 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.7 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 9 2 1 5 8 12 4 1 0 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 6 10 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 . 5 5 7 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 0 0 0 0 2 2 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 91 0, 0.0 103,-0.1 0, 0.0 128,-0.0 0.000 360.0 360.0 360.0 107.4 27.5 47.3 53.9 2 2 A K - 0 0 105 1,-0.1 2,-0.8 126,-0.1 102,-0.2 -0.318 360.0-107.9 -56.2 139.9 24.6 46.4 51.6 3 3 A T + 0 0 4 124,-1.3 -1,-0.1 1,-0.2 102,-0.1 -0.646 48.3 166.2 -75.3 110.2 21.3 47.3 53.4 4 4 A R + 0 0 166 -2,-0.8 47,-1.0 100,-0.4 46,-0.6 0.129 53.5 74.8-112.3 18.5 19.9 43.9 54.3 5 5 A K E +ab 51 105A 36 99,-0.6 101,-3.7 44,-0.1 2,-0.3 -0.986 53.2 172.3-138.1 126.8 17.3 45.2 56.7 6 6 A G E -ab 52 106A 0 45,-2.1 47,-2.3 -2,-0.4 2,-0.4 -0.974 16.6-150.7-134.8 147.8 14.0 46.9 56.0 7 7 A I E -ab 53 107A 0 99,-3.2 101,-3.1 -2,-0.3 2,-0.7 -0.962 4.2-154.2-120.7 133.0 11.0 48.0 58.0 8 8 A I E -ab 54 108A 0 45,-3.1 2,-2.2 -2,-0.4 47,-1.4 -0.889 6.7-157.0-108.2 100.7 7.4 48.3 56.8 9 9 A L E +ab 55 109A 23 99,-1.1 101,-0.8 -2,-0.7 2,-0.8 -0.508 28.6 160.5 -76.2 75.9 5.5 50.9 58.8 10 10 A A + 0 0 0 -2,-2.2 47,-0.4 45,-1.9 17,-0.2 -0.395 36.6 100.3 -97.2 56.9 2.0 49.5 58.1 11 11 A G + 0 0 11 -2,-0.8 16,-0.2 45,-0.3 15,-0.1 0.034 28.6 100.7-112.5-140.2 0.2 51.0 61.0 12 12 A G S S- 0 0 20 71,-0.2 14,-0.2 1,-0.1 45,-0.2 0.331 75.7 -96.8 69.9 152.4 -2.0 54.0 61.4 13 13 A S - 0 0 64 12,-0.1 13,-0.1 13,-0.1 -1,-0.1 0.687 39.2-153.6 -75.8 -23.1 -5.8 54.0 61.7 14 14 A G > + 0 0 2 1,-0.1 3,-1.1 2,-0.1 -2,-0.0 0.889 32.0 160.8 46.2 47.9 -6.3 54.9 58.0 15 15 A T G > + 0 0 13 1,-0.3 3,-2.9 2,-0.2 1134,-0.2 0.750 53.9 84.0 -69.0 -26.0 -9.6 56.5 58.8 16 16 A R G 3 S+ 0 0 110 1,-0.3 1134,-0.4 1132,-0.1 214,-0.4 0.633 92.1 52.2 -53.9 -11.8 -9.6 58.4 55.5 17 17 A L G X S- 0 0 0 -3,-1.1 3,-1.3 212,-0.1 -1,-0.3 0.214 92.2-179.5-113.1 15.8 -11.0 55.3 54.0 18 18 A Y T < + 0 0 44 -3,-2.9 1133,-0.4 1,-0.3 212,-0.1 -0.246 57.4 19.4 -60.7 150.0 -13.9 54.6 56.3 19 19 A P T > S+ 0 0 7 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.976 117.4 62.7 -92.7 8.1 -15.9 52.5 56.4 20 20 A V T < S+ 0 0 2 -3,-1.3 -2,-0.2 1,-0.3 884,-0.1 0.580 111.8 44.7 -66.0 -3.6 -13.9 50.1 54.3 21 21 A T T 3 S+ 0 0 10 -4,-0.2 -1,-0.3 -6,-0.1 5,-0.2 0.151 81.1 101.4-123.3 16.7 -11.3 50.2 57.1 22 22 A M S < S+ 0 0 66 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.895 107.8 7.0 -67.3 -41.6 -13.6 49.8 60.1 23 23 A A S S+ 0 0 2 -4,-0.4 2,-0.4 875,-0.1 -1,-0.2 0.157 126.8 71.8-125.2 11.5 -12.9 46.2 60.6 24 24 A V S S- 0 0 5 -5,-0.2 2,-0.2 870,-0.1 -1,-0.1 -0.995 81.4-119.4-137.1 131.8 -10.1 45.9 58.0 25 25 A S >> - 0 0 5 -2,-0.4 3,-3.6 1,-0.1 4,-1.0 -0.493 21.4-131.0 -68.0 128.5 -6.6 47.2 58.1 26 26 A Q G >4 S+ 0 0 8 1,-0.3 3,-0.9 -2,-0.2 10,-0.2 0.879 110.8 56.7 -45.8 -44.3 -5.9 49.7 55.3 27 27 A Q G 34 S+ 0 0 6 1,-0.2 10,-2.5 -17,-0.2 -1,-0.3 0.544 104.5 53.6 -69.0 -4.6 -2.7 47.7 54.6 28 28 A L G <4 S+ 0 0 2 -3,-3.6 -1,-0.2 8,-0.2 -2,-0.2 0.636 80.9 105.5-102.2 -19.1 -4.8 44.6 54.2 29 29 A L S << S- 0 0 1 -4,-1.0 7,-3.7 -3,-0.9 8,-0.2 -0.209 76.3-110.2 -55.6 153.4 -7.2 46.0 51.5 30 30 A P B -I 35 0B 15 0, 0.0 2,-0.5 0, 0.0 207,-0.1 -0.524 12.7-149.2 -91.1 158.6 -6.5 44.6 48.1 31 31 A I S S- 0 0 0 3,-2.9 2,-1.4 -2,-0.2 3,-0.1 -0.889 74.7 -62.1-123.0 89.5 -5.0 46.3 45.0 32 32 A Y S S+ 0 0 16 -2,-0.5 205,-0.1 1,-0.2 1071,-0.1 -0.502 128.7 7.4 69.8 -87.9 -6.7 44.2 42.3 33 33 A D S S+ 0 0 0 -2,-1.4 -1,-0.2 204,-0.1 857,-0.2 0.006 126.7 33.0-119.3 29.4 -5.4 40.7 42.9 34 34 A K S S- 0 0 0 855,-0.1 -3,-2.9 -3,-0.1 856,-0.1 -0.948 88.0 -81.7-172.8 155.2 -3.4 40.9 46.2 35 35 A P B > -I 30 0B 0 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.358 39.5-116.9 -70.1 148.8 -3.4 42.7 49.5 36 36 A M T > S+ 0 0 0 -7,-3.7 3,-2.7 1,-0.3 5,-0.2 0.897 113.3 60.6 -45.4 -52.6 -1.8 46.2 49.7 37 37 A I T 3> S+ 0 0 0 -10,-2.5 4,-1.7 1,-0.3 -1,-0.3 0.784 90.9 71.8 -48.9 -30.8 0.9 45.0 52.1 38 38 A Y H <> S+ 0 0 1 -3,-1.6 4,-1.6 -11,-0.2 -1,-0.3 0.805 94.9 54.3 -57.1 -31.8 2.0 42.7 49.4 39 39 A Y H <> S+ 0 0 0 -3,-2.7 4,-1.7 -4,-0.5 -1,-0.2 0.972 109.0 39.7 -71.0 -59.8 3.4 45.7 47.4 40 40 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.811 114.4 59.1 -62.4 -24.6 5.7 47.4 49.8 41 41 A L H X S+ 0 0 0 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.940 106.6 45.0 -67.0 -46.1 6.8 44.0 50.9 42 42 A S H X S+ 0 0 0 -4,-1.6 4,-3.3 210,-0.2 -1,-0.2 0.770 105.6 63.2 -66.8 -28.9 7.9 43.1 47.3 43 43 A T H X S+ 0 0 1 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.953 106.0 42.8 -61.5 -50.2 9.6 46.4 47.0 44 44 A L H <>S+ 0 0 0 -4,-1.6 5,-1.7 2,-0.2 3,-0.3 0.881 112.3 55.7 -63.7 -38.5 12.0 45.6 49.8 45 45 A M H ><5S+ 0 0 0 -4,-1.7 3,-3.7 1,-0.2 -2,-0.2 0.979 102.7 54.0 -58.6 -53.2 12.4 42.1 48.3 46 46 A L H 3<5S+ 0 0 45 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.809 102.7 59.1 -50.4 -29.7 13.4 43.6 45.0 47 47 A A T 3<5S- 0 0 10 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.381 121.4-112.6 -80.4 5.6 16.1 45.5 46.9 48 48 A G T < 5S+ 0 0 29 -3,-3.7 -3,-0.2 1,-0.3 2,-0.2 0.368 71.7 143.5 79.0 -5.0 17.4 42.1 48.0 49 49 A I < + 0 0 0 -5,-1.7 -1,-0.3 -6,-0.2 -44,-0.1 -0.463 16.2 163.7 -68.5 133.3 16.4 42.9 51.6 50 50 A R + 0 0 101 -46,-0.6 27,-2.3 -2,-0.2 2,-1.0 0.551 54.4 79.1-125.1 -18.2 15.1 39.7 53.3 51 51 A D E +ac 5 77A 46 -47,-1.0 -45,-2.1 25,-0.2 2,-0.4 -0.806 66.5 172.1 -95.9 101.4 15.2 40.7 56.9 52 52 A I E -ac 6 78A 0 -2,-1.0 27,-2.2 25,-1.0 2,-0.5 -0.906 28.5-153.3-120.0 141.8 12.0 42.7 57.4 53 53 A L E -ac 7 79A 4 -47,-2.3 -45,-3.1 -2,-0.4 2,-0.9 -0.933 11.4-153.9-109.6 124.2 10.2 44.2 60.4 54 54 A I E -ac 8 80A 0 25,-3.6 27,-1.4 -2,-0.5 2,-0.2 -0.833 15.4-169.3-101.6 99.5 6.5 44.8 59.9 55 55 A I E +ac 9 81A 0 -47,-1.4 -45,-1.9 -2,-0.9 2,-0.3 -0.618 22.5 132.1 -87.7 148.5 5.4 47.5 62.3 56 56 A S E - c 0 82A 0 25,-1.4 27,-3.1 -2,-0.2 -45,-0.3 -0.956 53.8 -57.6-172.7-175.6 1.7 48.3 62.9 57 57 A T > - 0 0 10 -47,-0.4 4,-3.6 -2,-0.3 28,-0.1 -0.354 51.1-107.3 -78.6 160.5 -0.9 48.9 65.5 58 58 A P T 4 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 27,-0.0 0.890 120.2 47.4 -56.4 -36.5 -1.7 46.5 68.3 59 59 A Q T 4 S+ 0 0 124 1,-0.2 4,-0.3 2,-0.1 -34,-0.1 0.903 122.8 32.2 -70.4 -41.8 -5.0 45.5 66.6 60 60 A D T >> S+ 0 0 18 2,-0.1 4,-1.7 1,-0.1 3,-1.1 0.806 99.8 78.4 -87.7 -31.8 -3.6 45.1 63.1 61 61 A T H 3X S+ 0 0 5 -4,-3.6 4,-1.8 1,-0.3 3,-0.3 0.917 96.4 47.6 -44.7 -55.5 -0.0 43.8 63.9 62 62 A P H 3> S+ 0 0 69 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.809 106.8 61.2 -60.2 -25.7 -1.2 40.3 64.7 63 63 A R H <> S+ 0 0 38 -3,-1.1 4,-2.2 -4,-0.3 5,-0.2 0.944 103.7 44.8 -66.4 -48.9 -3.3 40.3 61.5 64 64 A F H X S+ 0 0 0 -4,-1.7 4,-4.1 -3,-0.3 5,-0.5 0.910 111.5 55.4 -60.6 -39.1 -0.4 40.8 59.1 65 65 A Q H X S+ 0 0 98 -4,-1.8 4,-2.6 -5,-0.3 -1,-0.2 0.870 106.6 51.9 -59.4 -37.0 1.4 38.1 61.1 66 66 A Q H < S+ 0 0 162 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.943 117.9 35.7 -63.8 -49.1 -1.5 35.8 60.4 67 67 A L H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.846 132.0 30.3 -72.7 -37.6 -1.5 36.5 56.6 68 68 A L H >< S- 0 0 2 -4,-4.1 3,-1.0 -5,-0.2 2,-0.3 0.799 81.1-176.5 -95.4 -34.2 2.3 36.7 56.4 69 69 A G T 3< - 0 0 30 -4,-2.6 -1,-0.2 -5,-0.5 -2,-0.1 -0.523 67.4 -36.8 72.5-129.5 3.6 34.4 59.1 70 70 A D T 3 S- 0 0 84 -2,-0.3 8,-4.8 7,-0.1 -1,-0.2 0.577 77.4-120.2-106.1 -11.9 7.4 34.5 59.4 71 71 A G S X >S+ 0 0 0 -3,-1.0 3,-2.6 6,-0.2 5,-2.1 0.264 75.9 127.5 93.2 -11.4 8.0 34.7 55.6 72 72 A S G > 5 + 0 0 71 1,-0.3 3,-1.7 3,-0.2 -3,-0.1 0.792 64.8 68.5 -48.9 -30.6 9.9 31.5 55.4 73 73 A Q G 3 5S+ 0 0 53 1,-0.3 -1,-0.3 -5,-0.2 199,-0.1 0.842 107.5 38.1 -58.5 -33.2 7.5 30.5 52.6 74 74 A W G < 5S- 0 0 7 -3,-2.6 -1,-0.3 2,-0.1 -2,-0.2 -0.183 124.2 -98.5-109.6 37.9 9.1 33.2 50.5 75 75 A G T < 5S+ 0 0 19 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.747 88.5 123.6 53.0 26.8 12.7 32.8 51.6 76 76 A L < - 0 0 12 -5,-2.1 2,-0.3 -25,-0.0 -1,-0.2 -0.616 61.2-138.2-113.8 172.7 12.2 35.7 54.0 77 77 A N E -c 51 0A 70 -27,-2.3 -25,-1.0 -2,-0.2 -6,-0.2 -0.712 26.6-170.8-132.4 81.7 12.5 36.4 57.7 78 78 A L E -c 52 0A 9 -8,-4.8 2,-0.4 -2,-0.3 -25,-0.2 -0.530 4.8-178.0 -78.8 138.5 9.5 38.5 58.8 79 79 A Q E -c 53 0A 72 -27,-2.2 -25,-3.6 -2,-0.2 2,-0.3 -0.997 11.6-148.1-134.6 138.9 9.4 40.1 62.3 80 80 A Y E +c 54 0A 37 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.844 14.8 177.3-115.1 148.3 6.6 42.1 63.8 81 81 A K E -c 55 0A 99 -27,-1.4 -25,-1.4 -2,-0.3 2,-0.3 -0.995 24.2-126.5-145.9 137.3 6.6 45.0 66.3 82 82 A V E -c 56 0A 59 -2,-0.3 -25,-0.2 -27,-0.2 3,-0.1 -0.609 6.3-149.6 -91.5 144.3 3.7 47.0 67.6 83 83 A Q - 0 0 4 -27,-3.1 -71,-0.2 -2,-0.3 -22,-0.1 -0.884 6.7-153.8-112.4 99.9 3.3 50.8 67.6 84 84 A P S S- 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -27,-0.0 0.818 80.0 -4.9 -39.5 -39.1 1.2 51.9 70.6 85 85 A S S S- 0 0 52 -3,-0.1 2,-1.5 3,-0.1 3,-0.0 -0.981 80.8 -94.9-160.6 147.5 0.3 55.0 68.6 86 86 A P + 0 0 73 0, 0.0 3,-0.1 0, 0.0 -73,-0.0 -0.445 52.2 155.6 -65.6 91.7 1.1 56.7 65.3 87 87 A D - 0 0 57 -2,-1.5 111,-3.0 1,-0.4 2,-0.1 0.315 64.3 -63.3-100.3 6.5 3.7 59.1 66.4 88 88 A G > - 0 0 5 109,-0.3 3,-1.4 1,-0.1 -1,-0.4 -0.266 49.0 -87.2 124.5 149.1 5.4 59.5 63.0 89 89 A L T > S+ 0 0 31 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.859 120.4 65.5 -53.6 -38.2 7.3 57.4 60.5 90 90 A A T >> S+ 0 0 0 108,-1.8 3,-2.1 1,-0.3 4,-0.7 0.755 85.0 69.2 -57.1 -30.1 10.6 58.2 62.4 91 91 A Q H <> S+ 0 0 26 -3,-1.4 4,-3.3 107,-0.3 5,-0.3 0.688 79.9 82.8 -63.5 -14.4 9.4 56.2 65.4 92 92 A A H <4 S+ 0 0 0 -3,-2.3 4,-0.5 -4,-0.3 -1,-0.3 0.733 94.3 43.5 -61.7 -21.5 9.8 53.3 63.1 93 93 A F H <4 S+ 0 0 0 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.720 112.1 50.7 -95.3 -25.1 13.4 53.3 64.0 94 94 A I H >< S+ 0 0 54 -4,-0.7 3,-1.0 -3,-0.2 4,-0.3 0.911 116.6 42.0 -74.7 -44.3 12.9 53.9 67.7 95 95 A I T 3< S+ 0 0 27 -4,-3.3 3,-0.2 1,-0.2 -2,-0.2 0.761 121.2 42.8 -72.4 -27.3 10.4 50.9 67.8 96 96 A G T 3> S+ 0 0 1 -4,-0.5 4,-2.9 -5,-0.3 -1,-0.2 -0.012 78.2 114.5-110.5 30.6 12.7 48.9 65.5 97 97 A E H <> S+ 0 0 90 -3,-1.0 4,-3.0 2,-0.2 -1,-0.1 0.967 78.2 48.4 -60.7 -58.3 16.0 49.7 67.2 98 98 A E H 4 S+ 0 0 186 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.834 114.1 51.5 -52.1 -34.0 16.7 46.2 68.4 99 99 A F H 4 S+ 0 0 16 -4,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.986 115.5 37.4 -67.5 -59.4 15.9 45.1 64.9 100 100 A I H >< S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.2 2,-0.6 0.970 80.3 158.8 -56.1 -60.9 18.2 47.5 63.1 101 101 A G T 3< S- 0 0 28 -4,-3.0 -1,-0.2 1,-0.3 83,-0.1 -0.609 76.2 -26.3 74.3-117.0 21.0 47.3 65.6 102 102 A H T 3 S+ 0 0 154 -2,-0.6 79,-0.4 2,-0.1 -1,-0.3 0.575 115.7 100.0-106.0 -16.6 24.2 48.4 63.8 103 103 A D S < S- 0 0 59 -3,-1.3 2,-0.2 -4,-0.2 -100,-0.1 -0.242 83.9 -96.8 -72.4 157.6 23.2 47.5 60.3 104 104 A D - 0 0 13 -102,-0.2 -99,-0.6 76,-0.1 -100,-0.4 -0.536 45.9-157.4 -71.7 137.1 21.8 49.8 57.6 105 105 A C E -b 5 0A 0 -2,-0.2 74,-2.2 74,-0.1 2,-0.3 -0.952 11.2-151.6-126.2 141.5 18.0 49.8 57.6 106 106 A A E -bD 6 178A 0 -101,-3.7 -99,-3.2 -2,-0.4 2,-0.4 -0.754 8.2-157.2-104.1 152.0 15.4 50.6 54.9 107 107 A L E +bD 7 177A 0 70,-2.2 70,-1.3 -2,-0.3 2,-0.4 -0.986 13.2 175.9-131.4 121.3 11.9 51.9 55.8 108 108 A V E -bD 8 176A 0 -101,-3.1 -99,-1.1 -2,-0.4 2,-0.2 -0.979 32.2-114.8-126.7 140.3 9.1 51.5 53.3 109 109 A L E > -b 9 0A 30 66,-1.7 3,-1.5 -2,-0.4 -99,-0.2 -0.524 16.5-132.6 -75.4 137.3 5.5 52.5 54.0 110 110 A G T 3 S+ 0 0 0 -101,-0.8 -71,-0.2 1,-0.3 -100,-0.2 0.593 104.2 46.5 -64.9 -10.8 2.9 49.7 54.1 111 111 A D T 3 S+ 0 0 39 -102,-0.2 2,-0.6 -72,-0.1 -1,-0.3 0.172 87.0 101.5-118.3 18.8 0.5 51.6 51.8 112 112 A N < - 0 0 12 -3,-1.5 2,-0.4 63,-0.1 114,-0.1 -0.905 54.1-157.3-109.6 120.7 2.9 52.8 49.1 113 113 A I E -J 225 0C 0 112,-0.9 112,-0.9 -2,-0.6 2,-0.5 -0.769 6.1-165.7 -95.7 138.9 2.9 51.0 45.8 114 114 A F E +J 224 0C 10 -2,-0.4 2,-0.3 110,-0.2 110,-0.2 -0.971 7.9 178.5-129.6 117.6 6.0 51.2 43.6 115 115 A Y E +J 223 0C 26 108,-2.7 108,-2.1 -2,-0.5 2,-0.1 -0.882 22.7 122.2-113.7 147.5 5.9 50.2 39.9 116 116 A G > - 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0 0 5 -2,-0.3 3,-2.1 1,-0.1 4,-1.2 -0.215 32.7-126.3 -53.9 137.1 -13.2 38.4 54.2 896 26 D Q G >4 S+ 0 0 21 1,-0.3 3,-1.1 2,-0.2 10,-0.3 0.913 110.9 57.6 -52.7 -47.6 -14.7 38.8 50.7 897 27 D Q G 34 S+ 0 0 6 1,-0.3 10,-2.6 -17,-0.2 -1,-0.3 0.593 109.8 47.7 -61.3 -8.9 -17.9 40.3 52.2 898 28 D L G <4 S+ 0 0 3 -3,-2.1 -1,-0.3 8,-0.2 -2,-0.2 0.653 81.8 111.1-104.1 -21.7 -15.6 42.9 53.7 899 29 D L S << S- 0 0 3 -4,-1.2 7,-2.5 -3,-1.1 2,-0.2 -0.225 79.2-106.5 -52.0 138.8 -13.5 43.8 50.6 900 30 D P E -O 905 0K 19 0, 0.0 2,-0.8 0, 0.0 207,-0.1 -0.522 20.4-154.4 -76.1 138.1 -14.4 47.3 49.5 901 31 D I E > S-O 904 0K 0 3,-3.0 2,-1.7 -2,-0.2 3,-0.8 -0.894 71.7 -62.2-107.3 93.2 -16.6 47.7 46.4 902 32 D Y T 3 S+ 0 0 14 -2,-0.8 -668,-0.1 1,-0.2 -669,-0.1 -0.436 128.9 5.4 64.3 -81.6 -15.3 51.2 45.5 903 33 D D T 3 S+ 0 0 1 -2,-1.7 -883,-0.2 1,-0.2 -1,-0.2 0.329 127.7 31.2-118.2 10.4 -16.4 53.2 48.6 904 34 D K E < S-O 901 0K 0 -3,-0.8 -3,-3.0 -885,-0.1 -1,-0.2 -0.982 87.6 -83.3-163.8 151.7 -17.8 50.7 51.0 905 35 D P E > -O 900 0K 1 0, 0.0 3,-3.4 0, 0.0 4,-0.3 -0.359 44.2-116.2 -63.3 132.4 -17.5 47.1 52.2 906 36 D M T > S+ 0 0 0 -7,-2.5 3,-1.9 -10,-0.3 5,-0.3 0.736 110.3 68.5 -32.7 -46.8 -19.5 44.5 50.0 907 37 D I T 3> S+ 0 0 0 -10,-2.6 4,-1.8 1,-0.3 -1,-0.3 0.751 89.6 67.7 -53.4 -22.6 -21.8 43.5 52.8 908 38 D Y H <> S+ 0 0 5 -3,-3.4 4,-1.8 -11,-0.2 -1,-0.3 0.874 94.6 56.0 -67.3 -35.2 -23.2 47.0 52.5 909 39 D Y H <> S+ 0 0 0 -3,-1.9 4,-1.5 -4,-0.3 -2,-0.2 0.974 113.7 34.7 -63.2 -57.8 -24.7 46.3 49.1 910 40 D P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.835 116.6 56.3 -67.9 -31.7 -26.8 43.2 50.0 911 41 D L H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.879 106.9 50.9 -64.3 -35.6 -27.6 44.6 53.4 912 42 D S H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.858 103.9 57.6 -68.8 -34.3 -28.9 47.6 51.5 913 43 D T H X S+ 0 0 1 -4,-1.5 4,-0.9 2,-0.2 -1,-0.2 0.900 107.3 47.7 -62.9 -40.8 -31.0 45.4 49.4 914 44 D L H ><>S+ 0 0 1 -4,-1.8 5,-2.1 1,-0.2 3,-0.9 0.929 110.4 51.8 -66.1 -42.8 -32.7 44.0 52.5 915 45 D M H ><5S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.839 105.0 56.1 -63.5 -30.0 -33.2 47.6 53.8 916 46 D L H 3<5S+ 0 0 45 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.735 104.3 54.2 -73.5 -20.2 -34.9 48.4 50.4 917 47 D A T <<5S- 0 0 9 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.377 122.3-107.0 -91.9 5.3 -37.3 45.6 51.0 918 48 D G T < 5S+ 0 0 9 -3,-1.2 2,-0.6 1,-0.3 -3,-0.2 0.487 71.3 146.7 84.8 1.7 -38.3 47.0 54.4 919 49 D I < + 0 0 0 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.647 9.4 155.9 -79.2 115.3 -36.4 44.3 56.3 920 50 D R + 0 0 96 -46,-0.6 27,-2.2 -2,-0.6 2,-1.3 0.733 56.1 76.3-105.9 -36.8 -34.9 45.6 59.6 921 51 D D E +gi 875 947J 41 -47,-1.2 -45,-1.7 25,-0.2 2,-0.4 -0.655 68.6 166.7 -83.2 92.6 -34.6 42.4 61.6 922 52 D I E -gi 876 948J 0 -2,-1.3 27,-1.7 25,-0.8 2,-0.6 -0.906 31.0-152.7-121.6 135.7 -31.5 40.8 60.0 923 53 D L E -gi 877 949J 2 -47,-2.4 -45,-2.1 -2,-0.4 2,-0.6 -0.876 13.3-154.9-102.5 122.8 -29.3 37.9 61.1 924 54 D I E -gi 878 950J 0 25,-3.3 27,-1.9 -2,-0.6 2,-0.5 -0.870 8.7-167.3-101.8 118.5 -25.7 38.1 59.8 925 55 D I E +gi 879 951J 0 -47,-2.1 -45,-2.1 -2,-0.6 2,-0.3 -0.936 17.0 160.2-108.8 121.4 -24.0 34.8 59.5 926 56 D S E -gi 880 952J 0 25,-0.8 27,-2.0 -2,-0.5 -45,-0.3 -0.839 46.8 -78.7-132.0 167.3 -20.2 34.7 58.9 927 57 D T > - 0 0 3 -47,-0.5 4,-2.8 -2,-0.3 -1,-0.1 -0.228 51.4-103.3 -61.7 160.3 -17.4 32.2 59.4 928 58 D P T 4 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 24,-0.0 0.820 122.2 49.0 -56.2 -29.9 -16.2 31.9 63.0 929 59 D Q T 4 S+ 0 0 105 1,-0.1 4,-0.3 2,-0.1 23,-0.0 0.910 118.4 34.8 -77.2 -43.5 -13.2 34.0 62.1 930 60 D D T >> S+ 0 0 25 1,-0.2 4,-2.0 2,-0.1 3,-1.3 0.778 93.8 84.0 -84.9 -28.1 -14.9 36.9 60.3 931 61 D T H 3X S+ 0 0 7 -4,-2.8 4,-2.3 1,-0.3 5,-0.2 0.869 93.5 48.7 -44.1 -47.1 -18.1 37.1 62.4 932 62 D P H 3> S+ 0 0 56 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.859 109.7 55.5 -64.1 -30.5 -16.4 39.3 65.0 933 63 D R H <> S+ 0 0 71 -3,-1.3 4,-1.3 -4,-0.3 3,-0.4 0.986 109.1 43.5 -62.8 -60.3 -15.1 41.4 62.2 934 64 D F H >X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.3 3,-0.7 0.900 111.4 55.7 -50.9 -45.0 -18.5 42.2 60.6 935 65 D Q H 3X S+ 0 0 94 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.3 0.901 102.8 55.9 -55.0 -42.1 -19.8 42.8 64.1 936 66 D Q H 3< S+ 0 0 89 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.825 114.2 41.4 -59.5 -31.1 -17.1 45.4 64.6 937 67 D L H << S+ 0 0 10 -4,-1.3 -2,-0.2 -3,-0.7 -1,-0.2 0.802 130.3 19.0 -89.6 -31.4 -18.4 47.1 61.5 938 68 D L H >< S- 0 0 1 -4,-2.5 3,-1.3 -5,-0.2 5,-0.3 0.749 78.3-172.8-111.7 -33.2 -22.1 46.9 61.8 939 69 D G T 3< S- 0 0 25 -4,-2.0 -1,-0.1 -5,-0.4 -2,-0.1 -0.380 71.1 -31.4 70.4-149.2 -22.9 46.3 65.5 940 70 D D T 3 S- 0 0 92 -2,-0.1 8,-3.0 7,-0.1 -1,-0.3 0.266 83.8-121.7 -85.7 12.4 -26.5 45.6 66.3 941 71 D G S X >S+ 0 0 0 -3,-1.3 5,-2.8 6,-0.2 3,-1.5 0.634 73.3 136.6 57.5 11.6 -27.2 48.0 63.4 942 72 D S G > 5 + 0 0 63 1,-0.3 3,-2.1 3,-0.2 -1,-0.1 0.863 59.8 66.4 -54.8 -38.0 -29.1 50.1 65.9 943 73 D Q G 3 5S+ 0 0 45 1,-0.3 -1,-0.3 -5,-0.3 199,-0.1 0.765 105.5 42.4 -56.7 -28.6 -27.5 53.2 64.4 944 74 D W G < 5S- 0 0 6 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 -0.072 124.1 -99.6-109.9 30.9 -29.4 52.6 61.2 945 75 D G T < 5S+ 0 0 19 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.707 86.2 131.5 60.6 18.6 -32.7 51.7 62.9 946 76 D L < - 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0 0 80 -2,-0.3 4,-1.3 -3,-0.1 3,-0.3 -0.387 37.7 -92.3 -93.1 176.9 -34.0 60.7 61.8 1136 266 D A H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.883 125.4 57.1 -55.6 -43.3 -31.8 63.6 60.7 1137 267 D Q H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 103.6 55.7 -55.5 -42.2 -30.4 63.9 64.2 1138 268 D Q H > S+ 0 0 52 -3,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.846 105.0 51.6 -58.6 -37.4 -29.3 60.3 64.0 1139 269 D V H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.5 -1,-0.2 0.909 108.1 51.3 -68.4 -41.9 -27.4 60.9 60.8 1140 270 D I H X S+ 0 0 81 -4,-2.0 4,-3.7 1,-0.2 -2,-0.2 0.928 106.8 53.0 -61.1 -45.9 -25.5 63.8 62.3 1141 271 D E H < S+ 0 0 142 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.801 114.5 43.4 -58.4 -32.0 -24.4 61.8 65.4 1142 272 D L H X S+ 0 0 40 -4,-1.1 4,-0.6 -3,-0.2 -1,-0.2 0.863 118.0 43.9 -80.1 -40.5 -23.0 59.1 63.0 1143 273 D A H >< S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.832 96.4 78.2 -73.2 -36.3 -21.4 61.6 60.7 1144 274 D G G >< S+ 0 0 35 -4,-3.7 3,-0.8 1,-0.3 -1,-0.2 0.880 97.0 41.9 -38.4 -64.4 -20.0 63.7 63.4 1145 275 D P G 34 S+ 0 0 101 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.797 113.0 57.7 -57.8 -31.1 -17.0 61.4 64.2 1146 276 D L G << + 0 0 38 -3,-0.7 6,-0.3 -4,-0.6 7,-0.2 -0.269 60.3 126.5 -99.5 49.8 -16.4 60.8 60.5 1147 277 D S < + 0 0 70 -3,-0.8 -1,-0.2 -2,-0.4 -3,-0.1 0.637 67.5 65.2 -77.5 -12.8 -15.9 64.4 59.3 1148 278 D K S S+ 0 0 142 -3,-0.4 5,-0.1 4,-0.1 -2,-0.1 0.967 92.3 52.8 -69.9 -85.3 -12.6 63.3 57.8 1149 279 D N S > S- 0 0 7 -1134,-0.2 4,-1.2 1,-0.1 3,-0.2 0.137 89.7-111.6 -47.0 166.7 -13.4 60.9 54.9 1150 280 D D H > S+ 0 0 60 -1134,-0.4 4,-2.6 1,-0.2 5,-0.2 0.802 110.8 70.2 -74.0 -30.6 -15.9 61.8 52.2 1151 281 D Y H > S+ 0 0 1 -1133,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.908 101.5 45.7 -53.8 -45.3 -18.4 59.2 53.4 1152 282 D G H > S+ 0 0 0 -6,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.950 111.9 49.7 -64.7 -47.9 -19.1 61.3 56.5 1153 283 D K H X S+ 0 0 132 -4,-1.2 4,-3.0 1,-0.2 -1,-0.2 0.833 108.4 56.2 -60.5 -29.8 -19.4 64.6 54.5 1154 284 D Y H X S+ 0 0 28 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.918 108.0 46.2 -68.3 -43.2 -21.8 62.8 52.3 1155 285 D L H X S+ 0 0 1 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.910 113.7 49.5 -65.4 -42.2 -24.0 61.9 55.1 1156 286 D L H >< S+ 0 0 61 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.974 111.1 47.8 -59.8 -54.7 -23.8 65.4 56.5 1157 287 D K H 3< S+ 0 0 189 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.838 103.8 63.3 -55.5 -33.1 -24.6 66.9 53.1 1158 288 D M H 3< 0 0 27 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.723 360.0 360.0 -65.4 -20.3 -27.5 64.4 52.8 1159 289 D V << 0 0 73 -3,-2.1 -2,-0.2 -4,-0.7 -1,-0.2 0.693 360.0 360.0-111.8 360.0 -29.1 66.1 55.8