==== 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 LYASE 19-FEB-99 1B93 . COMPND 2 MOLECULE: PROTEIN (METHYLGLYOXAL SYNTHASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.SAADAT,D.H.T.HARRISON . 443 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 4.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 32 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.9 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 1 0 0 4 2 5 1 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 1 4 3 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 3 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 . 3 0 0 3 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 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 0 124 0, 0.0 2,-0.1 0, 0.0 145,-0.0 0.000 360.0 360.0 360.0-178.9 17.6 86.3 92.4 2 2 A E - 0 0 66 140,-0.2 140,-3.0 139,-0.1 2,-0.3 -0.413 360.0-160.8 -67.0 140.6 16.1 89.2 90.5 3 3 A L E +A 141 0A 85 138,-0.3 2,-0.3 -2,-0.1 136,-0.1 -0.829 17.6 165.3-122.4 161.3 12.4 88.7 89.7 4 4 A T E -A 140 0A 52 136,-2.8 136,-3.2 -2,-0.3 2,-0.3 -0.820 31.5-101.6-153.7-173.0 10.0 90.2 87.3 5 5 A T E -A 139 0A 75 134,-0.3 2,-0.3 -2,-0.3 134,-0.2 -0.824 22.2-172.6-123.1 165.7 6.5 89.4 85.9 6 6 A R E -A 138 0A 44 132,-1.6 132,-2.5 -2,-0.3 2,-0.5 -0.969 26.0-119.0-150.1 150.1 5.0 87.9 82.8 7 7 A T E -A 137 0A 70 -2,-0.3 130,-0.3 130,-0.2 128,-0.0 -0.842 10.9-145.7-101.0 129.0 1.4 87.5 81.8 8 8 A L E -A 136 0A 3 128,-3.7 128,-1.8 -2,-0.5 4,-0.1 -0.814 35.3-121.1 -85.8 124.2 -0.2 84.1 81.2 9 9 A P - 0 0 43 0, 0.0 125,-0.1 0, 0.0 4,-0.1 -0.212 12.6-116.1 -65.6 159.3 -2.6 84.9 78.3 10 10 A A S S+ 0 0 45 1,-0.2 2,-1.0 125,-0.1 -2,-0.0 0.898 114.5 58.7 -59.8 -39.5 -6.3 84.2 78.7 11 11 A R S S- 0 0 147 29,-0.1 -1,-0.2 2,-0.0 2,-0.1 -0.821 94.2-149.6 -93.1 101.0 -5.9 81.7 76.0 12 12 A K - 0 0 4 -2,-1.0 29,-2.8 120,-0.3 2,-0.9 -0.409 14.9-133.3 -79.7 147.6 -3.3 79.3 77.5 13 13 A H E -b 41 0B 56 27,-0.2 71,-2.6 -2,-0.1 72,-1.6 -0.881 34.7-165.4 -97.2 107.0 -0.7 77.2 75.8 14 14 A I E -bc 42 85B 1 27,-3.3 29,-2.4 -2,-0.9 2,-0.5 -0.866 13.5-153.5-105.5 124.4 -1.1 73.9 77.5 15 15 A A E -bc 43 86B 0 70,-2.8 72,-3.0 -2,-0.5 2,-0.6 -0.812 8.1-163.6 -94.6 126.1 1.4 71.0 77.4 16 16 A L E +bc 44 87B 0 27,-2.5 29,-1.2 -2,-0.5 2,-0.4 -0.944 16.1 170.8-113.2 114.6 -0.1 67.5 77.8 17 17 A V E + c 0 88B 2 70,-3.1 72,-2.3 -2,-0.6 2,-0.3 -0.982 2.0 169.9-128.6 132.8 2.5 64.9 78.7 18 18 A A E - c 0 89B 10 -2,-0.4 48,-0.2 70,-0.2 72,-0.2 -0.999 29.4-127.0-145.8 146.6 1.9 61.3 79.8 19 19 A H >> - 0 0 13 70,-1.8 3,-3.0 -2,-0.3 4,-0.5 -0.543 44.8 -98.5 -83.6 154.8 3.9 58.1 80.3 20 20 A D G >4 S+ 0 0 138 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.840 124.4 48.2 -39.7 -50.9 2.6 55.0 78.6 21 21 A H G 34 S+ 0 0 138 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.526 113.5 48.9 -73.4 -4.3 0.8 53.7 81.7 22 22 A C G <> S+ 0 0 4 -3,-3.0 4,-2.2 67,-0.1 -1,-0.2 0.297 80.2 100.4-116.0 7.2 -0.8 57.1 82.2 23 23 A K H S+ 0 0 148 -4,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.872 111.1 56.2 -63.7 -35.8 -5.7 56.6 79.3 25 25 A M H > S+ 0 0 79 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.920 109.8 44.2 -61.1 -45.9 -5.6 58.7 82.5 26 26 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.928 113.6 50.0 -66.4 -45.3 -4.6 61.8 80.4 27 27 A M H X S+ 0 0 9 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.928 108.0 52.7 -59.6 -46.7 -7.1 61.1 77.7 28 28 A S H X S+ 0 0 48 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.881 109.8 50.5 -57.7 -36.7 -9.9 60.7 80.2 29 29 A W H X S+ 0 0 2 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.917 110.8 47.2 -68.1 -42.9 -8.9 64.1 81.7 30 30 A V H < S+ 0 0 0 -4,-2.3 3,-0.4 1,-0.2 7,-0.2 0.916 113.8 48.5 -63.6 -42.5 -9.0 65.8 78.3 31 31 A E H >< S+ 0 0 94 -4,-2.9 3,-0.5 1,-0.2 -1,-0.2 0.793 107.4 54.9 -69.8 -28.4 -12.3 64.2 77.5 32 32 A R H 3< S+ 0 0 136 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.738 120.2 32.1 -76.6 -22.5 -13.8 65.2 80.8 33 33 A H T >X S+ 0 0 24 -4,-1.1 4,-2.5 -3,-0.4 3,-0.7 0.094 77.3 127.4-121.3 24.0 -12.9 68.9 80.2 34 34 A Q H <> S+ 0 0 47 -3,-0.5 4,-1.8 1,-0.2 -1,-0.1 0.883 70.9 55.8 -47.6 -51.5 -13.2 69.1 76.4 35 35 A P H 34 S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.860 113.9 39.9 -51.9 -41.8 -15.5 72.2 76.4 36 36 A L H X4 S+ 0 0 32 -3,-0.7 3,-1.4 1,-0.2 -2,-0.2 0.887 113.7 54.4 -76.0 -39.6 -13.0 74.3 78.5 37 37 A L H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.726 90.8 75.2 -67.5 -20.9 -10.0 72.9 76.6 38 38 A E T 3< S+ 0 0 105 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.743 90.9 57.5 -65.1 -18.5 -11.5 74.0 73.3 39 39 A Q T < S+ 0 0 108 -3,-1.4 -1,-0.3 -4,-0.2 2,-0.2 0.452 102.4 65.4 -91.1 0.2 -10.6 77.6 74.1 40 40 A H S < S- 0 0 12 -3,-1.7 2,-0.6 -29,-0.1 -27,-0.2 -0.639 85.2-103.2-118.2 175.1 -6.9 77.0 74.6 41 41 A V E -b 13 0B 21 -29,-2.8 -27,-3.3 -2,-0.2 2,-0.3 -0.883 37.0-152.6-101.7 122.4 -3.9 75.9 72.6 42 42 A L E -b 14 0B 4 -2,-0.6 19,-2.7 17,-0.5 2,-0.3 -0.739 15.9-179.0-102.4 144.0 -2.7 72.3 73.1 43 43 A Y E +bd 15 61B 41 -29,-2.4 -27,-2.5 -2,-0.3 2,-0.3 -0.952 10.4 178.9-130.7 147.6 0.7 70.7 72.7 44 44 A A E -bd 16 62B 0 17,-2.5 19,-2.1 -2,-0.3 2,-0.2 -0.991 21.3-130.2-154.6 145.9 1.4 67.0 73.3 45 45 A T E > - d 0 63B 4 -29,-1.2 3,-1.1 -2,-0.3 20,-0.3 -0.651 68.6 -12.3 -96.4 152.7 4.3 64.7 73.1 46 46 A G T > S- 0 0 13 17,-1.5 3,-0.6 -2,-0.2 4,-0.3 -0.279 123.7 -20.5 65.5-142.7 4.4 61.4 71.3 47 47 A T T >> S+ 0 0 87 1,-0.2 4,-1.9 2,-0.1 3,-0.6 0.588 112.1 92.9 -79.9 -11.2 1.2 59.8 70.0 48 48 A T H <> S+ 0 0 1 -3,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.833 76.0 63.2 -52.6 -37.4 -1.0 61.7 72.3 49 49 A G H <> S+ 0 0 6 -3,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.938 107.5 41.0 -54.7 -49.6 -1.6 64.5 69.7 50 50 A N H <> S+ 0 0 96 -3,-0.6 4,-2.9 -4,-0.3 5,-0.3 0.883 111.0 55.9 -66.8 -41.2 -3.3 62.1 67.3 51 51 A L H X S+ 0 0 73 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.917 110.5 47.3 -57.8 -42.6 -5.3 60.3 69.9 52 52 A I H X>S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 6,-0.7 0.929 113.4 45.0 -66.5 -47.4 -6.7 63.7 71.0 53 53 A S H X5S+ 0 0 39 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.899 115.8 48.7 -65.3 -37.1 -7.6 64.9 67.5 54 54 A R H <5S+ 0 0 205 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.912 119.5 37.1 -67.8 -41.5 -9.1 61.6 66.7 55 55 A A H <5S+ 0 0 53 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.813 136.3 16.6 -81.0 -32.1 -11.2 61.4 69.9 56 56 A T H <5S- 0 0 16 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.531 90.1-124.6-119.8 -12.4 -12.2 65.0 70.2 57 57 A G << + 0 0 64 -4,-1.7 2,-0.2 -5,-0.6 -4,-0.2 0.484 64.8 138.4 79.0 0.2 -11.5 66.7 66.9 58 58 A M - 0 0 14 -6,-0.7 -1,-0.3 1,-0.1 2,-0.3 -0.583 55.7-121.3 -80.9 142.5 -9.3 69.2 68.6 59 59 A N - 0 0 147 -2,-0.2 -17,-0.5 -3,-0.1 2,-0.4 -0.629 31.1-165.9 -82.3 139.6 -6.1 70.2 66.8 60 60 A V - 0 0 18 -2,-0.3 2,-0.9 -19,-0.1 -17,-0.2 -0.983 25.0-125.4-133.1 140.1 -2.9 69.5 68.8 61 61 A N E -d 43 0B 78 -19,-2.7 -17,-2.5 -2,-0.4 2,-0.2 -0.738 38.5-147.2 -81.9 110.5 0.7 70.7 68.3 62 62 A A E +d 44 0B 69 -2,-0.9 2,-0.3 -19,-0.2 -17,-0.2 -0.550 20.5 178.6 -85.1 144.4 2.6 67.4 68.3 63 63 A M E -d 45 0B 24 -19,-2.1 -17,-1.5 -2,-0.2 -14,-0.2 -0.840 39.2 -70.1-134.2 171.2 6.1 66.9 69.7 64 64 A L - 0 0 24 -2,-0.3 -1,-0.1 -19,-0.2 5,-0.1 -0.155 58.7 -93.7 -61.5 157.3 8.5 64.0 70.1 65 65 A S > > - 0 0 31 -20,-0.3 5,-2.6 5,-0.1 3,-0.6 -0.287 42.8-102.5 -67.1 160.0 7.8 61.2 72.5 66 66 A G G > >S+ 0 0 9 1,-0.2 3,-2.0 4,-0.2 5,-0.6 0.932 119.0 49.2 -51.4 -57.6 9.4 61.6 75.9 67 67 A P G 3 5S+ 0 0 41 0, 0.0 -1,-0.2 0, 0.0 345,-0.1 0.786 110.8 53.2 -55.9 -27.1 12.2 59.1 75.5 68 68 A M G < 5S- 0 0 20 -3,-0.6 -2,-0.2 376,-0.0 -4,-0.1 0.429 135.0 -76.6 -90.6 0.6 13.1 60.7 72.2 69 69 A G T <>5S+ 0 0 0 -3,-2.0 4,-1.8 -4,-0.4 3,-0.3 0.375 92.9 123.7 122.5 -2.7 13.4 64.3 73.4 70 70 A G H > S+ 0 0 0 -3,-0.3 4,-2.7 -6,-0.3 305,-0.3 0.828 108.0 56.5 -72.6 -30.1 13.2 68.7 76.6 73 73 A Q H X S+ 0 0 21 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.932 111.9 43.1 -64.9 -43.2 11.2 70.3 73.8 74 74 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.926 113.4 51.3 -68.2 -43.2 8.5 71.1 76.3 75 75 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.895 108.3 52.2 -60.4 -39.7 11.0 72.3 78.9 76 76 A A H X S+ 0 0 6 -4,-2.7 4,-1.2 297,-0.3 -1,-0.2 0.927 110.1 49.0 -62.5 -42.3 12.7 74.5 76.3 77 77 A L H <>S+ 0 0 41 -4,-1.9 5,-2.9 1,-0.2 6,-0.6 0.876 109.1 52.3 -64.8 -39.0 9.3 76.1 75.5 78 78 A I H ><5S+ 0 0 2 -4,-2.4 3,-1.7 4,-0.2 -1,-0.2 0.930 107.7 51.5 -62.7 -45.0 8.5 76.7 79.2 79 79 A S H 3<5S+ 0 0 8 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.773 109.1 51.5 -64.5 -24.3 11.9 78.5 79.7 80 80 A E T 3<5S- 0 0 79 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.358 118.3-111.6 -93.1 4.8 11.1 80.7 76.7 81 81 A G T < 5S+ 0 0 23 -3,-1.7 -3,-0.2 -4,-0.1 -2,-0.1 0.717 86.5 117.7 73.6 22.1 7.7 81.6 78.1 82 82 A K < + 0 0 111 -5,-2.9 2,-0.4 -6,-0.2 -4,-0.2 0.488 63.8 58.1 -99.2 -6.0 5.8 79.7 75.3 83 83 A I + 0 0 0 -6,-0.6 -69,-0.2 -5,-0.2 -2,-0.1 -0.995 55.5 178.1-124.8 130.4 4.1 77.2 77.5 84 84 A D + 0 0 1 -71,-2.6 2,-0.4 -2,-0.4 -70,-0.2 0.651 67.3 29.5-106.0 -22.1 1.8 78.4 80.3 85 85 A V E -c 14 0B 1 -72,-1.6 -70,-2.8 29,-0.2 2,-0.5 -0.999 62.3-157.9-142.7 137.0 0.4 75.2 81.9 86 86 A L E -ce 15 116B 0 29,-2.5 31,-2.4 -2,-0.4 2,-0.7 -0.969 6.2-173.2-121.6 121.1 1.9 71.8 82.2 87 87 A I E +ce 16 117B 2 -72,-3.0 -70,-3.1 -2,-0.5 2,-0.6 -0.938 18.2 172.7-109.9 103.3 -0.2 68.7 82.7 88 88 A F E -c 17 0B 0 29,-2.7 2,-1.6 -2,-0.7 -70,-0.2 -0.851 16.1-175.7-120.9 93.8 2.4 65.9 83.3 89 89 A F E +c 18 0B 1 -72,-2.3 -70,-1.8 -2,-0.6 2,-0.1 -0.630 19.5 177.0 -88.8 80.3 1.0 62.6 84.3 90 90 A W - 0 0 73 -2,-1.6 -2,-0.0 28,-0.2 -72,-0.0 -0.486 35.9-103.7 -82.1 157.5 4.3 60.8 84.9 91 91 A D > - 0 0 12 -2,-0.1 3,-0.8 1,-0.1 5,-0.1 -0.739 31.0-177.5 -88.2 108.4 4.3 57.2 86.2 92 92 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.486 82.3 53.2 -81.7 -2.0 5.2 56.9 89.9 93 93 A L T 3 S+ 0 0 153 1,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.193 101.4 60.5-118.6 16.3 5.0 53.2 89.8 94 94 A N S < S- 0 0 78 -3,-0.8 2,-0.4 2,-0.0 -3,-0.1 -0.995 77.3-123.7-145.1 136.4 7.4 52.3 87.0 95 95 A A - 0 0 89 -2,-0.3 149,-0.2 149,-0.1 3,-0.0 -0.683 31.5-160.3 -79.7 126.6 11.1 53.0 86.4 96 96 A V > - 0 0 25 -2,-0.4 3,-1.2 1,-0.1 147,-0.1 -0.872 21.9-135.5-111.3 143.7 11.6 54.9 83.2 97 97 A P T 3 S+ 0 0 40 0, 0.0 146,-0.2 0, 0.0 -1,-0.1 0.863 105.8 52.5 -62.5 -36.6 14.8 55.2 81.2 98 98 A H T 3> + 0 0 11 1,-0.2 4,-1.9 144,-0.1 3,-0.5 -0.040 68.2 130.2 -91.7 33.7 14.4 59.0 80.6 99 99 A D H <> + 0 0 62 -3,-1.2 4,-2.7 1,-0.2 5,-0.3 0.870 68.9 58.2 -54.1 -39.7 13.8 59.7 84.3 100 100 A P H > S+ 0 0 27 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.931 106.2 49.0 -57.9 -41.7 16.4 62.5 84.2 101 101 A D H > S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.883 110.5 51.7 -62.2 -40.5 14.4 64.2 81.5 102 102 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.951 113.3 43.0 -61.8 -50.7 11.2 63.8 83.6 103 103 A K H X S+ 0 0 76 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.863 113.2 53.2 -65.0 -35.7 12.9 65.4 86.7 104 104 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.903 108.6 49.2 -66.9 -41.1 14.5 68.1 84.5 105 105 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.926 112.9 46.6 -64.1 -44.7 11.1 69.1 83.0 106 106 A L H X S+ 0 0 34 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.849 110.3 54.4 -66.6 -32.8 9.5 69.3 86.5 107 107 A R H X S+ 0 0 47 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.932 110.3 46.3 -64.7 -45.1 12.4 71.3 87.8 108 108 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.869 108.8 53.7 -66.3 -39.7 12.0 73.8 85.0 109 109 A A H <>S+ 0 0 1 -4,-2.2 5,-1.6 1,-0.2 -1,-0.2 0.837 111.6 47.6 -64.3 -31.6 8.2 74.1 85.5 110 110 A T H ><5S+ 0 0 109 -4,-1.4 3,-1.1 -5,-0.2 -2,-0.2 0.928 112.1 48.6 -72.8 -46.1 8.9 74.9 89.2 111 111 A V H 3<5S+ 0 0 46 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.889 112.7 47.1 -60.5 -44.1 11.6 77.5 88.4 112 112 A W T 3<5S- 0 0 20 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.336 106.3-129.0 -85.3 7.7 9.5 79.3 85.8 113 113 A N T < 5 + 0 0 83 -3,-1.1 -3,-0.2 1,-0.2 -4,-0.1 0.822 51.4 149.5 50.1 47.5 6.5 79.4 88.1 114 114 A I < - 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0 0 22 -2,-1.5 -2,-0.0 -72,-0.2 -72,-0.0 -0.486 36.0-103.6 -82.1 158.2 25.4 52.3 77.7 240 91 B D > - 0 0 12 -2,-0.1 3,-0.8 1,-0.1 5,-0.1 -0.734 30.8-177.3 -88.9 108.9 21.6 52.0 77.0 241 92 B P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 171,-0.1 0.499 82.4 54.0 -81.6 -2.1 19.8 55.4 77.0 242 93 B L T 3 S+ 0 0 62 1,-0.1 2,-0.3 -144,-0.1 -144,-0.1 0.182 101.6 59.4-117.5 16.9 16.4 53.8 76.5 243 94 B N S < S- 0 0 70 -3,-0.8 2,-0.4 -146,-0.2 -3,-0.1 -0.993 76.7-123.6-147.3 136.9 16.3 51.3 79.3 244 95 B A - 0 0 56 -2,-0.3 -149,-0.1 -149,-0.2 -146,-0.1 -0.675 30.8-161.1 -80.2 126.8 16.5 51.7 83.1 245 96 B V > - 0 0 31 -2,-0.4 3,-1.3 -5,-0.1 6,-0.1 -0.879 22.3-134.9-112.1 142.7 19.4 49.6 84.5 246 97 B P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.841 105.8 53.2 -61.6 -34.0 19.8 48.6 88.2 247 98 B H T 3> + 0 0 21 1,-0.2 4,-1.8 2,-0.1 3,-0.4 -0.037 68.0 130.0 -93.7 33.9 23.5 49.5 88.3 248 99 B D H <> + 0 0 64 -3,-1.3 4,-2.6 1,-0.2 5,-0.3 0.858 69.0 57.8 -54.4 -39.0 22.8 53.0 87.0 249 100 B P H > S+ 0 0 86 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.939 106.2 49.3 -59.3 -42.1 24.9 54.5 89.8 250 101 B D H > S+ 0 0 30 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.883 110.3 51.6 -60.4 -40.8 27.9 52.4 88.6 251 102 B V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.941 112.8 43.6 -63.0 -49.0 27.3 53.7 85.1 252 103 B K H X S+ 0 0 50 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.867 112.8 52.9 -66.2 -36.1 27.3 57.3 86.1 253 104 B A H X S+ 0 0 46 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.905 108.5 50.1 -66.3 -40.8 30.3 56.9 88.4 254 105 B L H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.930 112.9 45.9 -63.3 -45.6 32.3 55.3 85.6 255 106 B L H X S+ 0 0 30 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.840 110.4 54.7 -66.8 -32.8 31.5 58.2 83.2 256 107 B R H X S+ 0 0 93 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.925 110.1 46.4 -65.4 -44.1 32.2 60.7 86.0 257 108 B L H X S+ 0 0 37 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.866 109.0 53.3 -66.9 -38.8 35.7 59.2 86.5 258 109 B A H <>S+ 0 0 0 -4,-2.1 5,-1.6 2,-0.2 -1,-0.2 0.844 111.8 47.9 -65.2 -31.3 36.5 59.1 82.7 259 110 B T H ><5S+ 0 0 13 -4,-1.5 3,-1.2 -5,-0.2 -2,-0.2 0.941 112.1 48.5 -71.8 -48.8 35.6 62.8 82.6 260 111 B V H 3<5S+ 0 0 24 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.885 113.2 46.3 -56.8 -46.2 37.8 63.6 85.7 261 112 B W T 3<5S- 0 0 45 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.358 105.9-129.0 -85.1 6.7 40.8 61.7 84.4 262 113 B N T < 5 + 0 0 16 -3,-1.2 -3,-0.2 1,-0.2 26,-0.1 0.832 50.9 150.4 51.3 47.7 40.5 63.2 80.9 263 114 B I < - 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0 0 62 -2,-0.2 2,-0.4 -128,-0.0 -125,-0.1 -0.702 48.9-174.9 -78.9 132.2 51.8 58.5 72.1 285 136 B V E -F 157 0C 30 -128,-1.4 -128,-2.8 -2,-0.4 2,-0.3 -0.998 21.8-129.1-138.3 137.3 49.8 61.6 73.1 286 137 B D E -F 156 0C 106 -2,-0.4 2,-0.3 -130,-0.2 -130,-0.2 -0.638 25.3-175.2 -84.8 136.0 50.0 63.8 76.2 287 138 B I E -F 155 0C 12 -132,-2.7 -132,-2.0 -2,-0.3 2,-0.4 -0.905 27.9-113.8-127.0 155.4 46.9 64.7 78.1 288 139 B L E +F 154 0C 87 -2,-0.3 -134,-0.3 -134,-0.2 134,-0.2 -0.755 39.6 177.5 -89.8 135.0 46.3 66.9 81.1 289 140 B I E -F 153 0C 21 -136,-2.8 -136,-3.0 -2,-0.4 -28,-0.1 -0.941 39.1 -85.9-135.0 156.7 45.3 65.2 84.3 290 141 B P E -F 152 0C 18 0, 0.0 2,-1.3 0, 0.0 -138,-0.3 -0.359 41.8-123.0 -60.2 141.8 44.6 66.2 87.8 291 142 B D > - 0 0 50 -140,-3.1 4,-2.3 1,-0.2 -140,-0.3 -0.750 29.9-172.3 -87.3 95.4 47.9 66.4 89.8 292 143 B Y H > S+ 0 0 125 -2,-1.3 4,-2.9 1,-0.2 5,-0.2 0.877 77.8 58.2 -57.7 -42.8 46.8 64.0 92.6 293 144 B Q H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.934 111.9 41.1 -53.4 -49.6 49.9 64.5 94.8 294 145 B R H > S+ 0 0 28 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.903 113.5 55.3 -65.3 -40.8 49.2 68.3 95.0 295 146 B Y H X S+ 0 0 87 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.871 111.4 43.0 -59.6 -42.1 45.5 67.5 95.4 296 147 B L H >X S+ 0 0 61 -4,-2.9 3,-1.5 2,-0.2 4,-1.1 0.948 108.9 56.5 -70.7 -50.1 46.1 65.3 98.4 297 148 B A H >< S+ 0 0 62 -4,-2.3 3,-0.7 1,-0.3 -2,-0.2 0.872 106.5 50.6 -49.5 -43.3 48.7 67.5 100.1 298 149 B D H 3< S+ 0 0 141 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.732 108.0 54.5 -69.6 -20.3 46.2 70.4 100.2 299 150 B R H << 0 0 180 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.653 360.0 360.0 -85.6 -17.5 43.6 68.1 101.7 300 151 B L << 0 0 166 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.1 -0.165 360.0 360.0-107.8 360.0 46.0 67.2 104.5 301 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 302 1 C M 0 0 129 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.6 14.6 50.1 67.2 303 2 C E - 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