==== 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 29-SEP-07 2RFG . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAHELLA CHEJUENSIS; . AUTHOR B.S.KANG,M.H.KIM,G.H.KIM,K.J.KIM . 1164 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 848 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 133 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.0 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 . 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 . 80 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 452 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 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 4 0 8 0 4 4 0 0 3 7 9 4 0 0 2 2 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 1 12 8 4 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 4 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 . 4 0 0 0 0 0 0 4 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 0 160 0, 0.0 2,-0.4 0, 0.0 157,-0.1 0.000 360.0 360.0 360.0 -25.0 -41.0 -24.4 -2.2 2 2 A F + 0 0 13 2,-0.0 2,-0.3 35,-0.0 197,-0.1 -0.976 360.0 170.3-126.9 132.3 -38.1 -25.3 -0.1 3 3 A R + 0 0 134 -2,-0.4 197,-0.3 33,-0.2 2,-0.2 -0.989 38.5 1.0-144.6 145.5 -38.3 -27.7 2.9 4 4 A G E S+a 200 0A 2 195,-2.6 197,-2.6 -2,-0.3 2,-0.9 -0.540 105.6 6.2 87.8-142.4 -36.0 -29.5 5.3 5 5 A S E +a 201 0A 0 -2,-0.2 31,-3.2 29,-0.2 32,-0.7 -0.743 62.4 176.0 -93.2 102.0 -32.2 -29.5 5.5 6 6 A L E -ab 202 37A 1 195,-2.7 197,-3.0 -2,-0.9 2,-0.6 -0.876 25.1-131.0-105.2 137.2 -30.8 -27.0 3.0 7 7 A I E -ab 203 38A 0 30,-2.4 32,-3.2 -2,-0.4 2,-1.6 -0.791 5.7-147.6-102.3 124.5 -27.0 -26.5 3.1 8 8 A A E - b 0 39A 3 195,-2.8 199,-0.1 -2,-0.6 30,-0.1 -0.677 42.7-136.5 -78.9 88.4 -25.2 -23.2 3.3 9 9 A M - 0 0 1 -2,-1.6 32,-0.4 30,-0.5 33,-0.4 -0.203 6.4-132.5 -62.7 135.9 -22.3 -24.5 1.2 10 10 A I - 0 0 0 194,-0.1 35,-0.3 35,-0.1 -1,-0.1 -0.443 18.5-131.8 -66.7 153.4 -18.7 -23.9 2.0 11 11 A T - 0 0 1 33,-0.5 2,-0.2 -2,-0.1 9,-0.1 -0.966 22.5-141.0-110.3 115.9 -16.5 -22.8 -0.9 12 12 A P - 0 0 0 0, 0.0 7,-2.6 0, 0.0 2,-0.3 -0.507 18.1-164.3 -80.0 147.5 -13.3 -24.8 -1.1 13 13 A F E -I 18 0B 0 251,-0.4 249,-0.4 5,-0.3 2,-0.3 -0.906 17.0-168.3-126.1 154.4 -9.9 -23.3 -2.0 14 14 A I E > S-I 17 0B 85 3,-2.6 3,-2.4 -2,-0.3 0, 0.0 -0.971 88.2 -6.9-139.2 131.4 -6.5 -24.4 -3.1 15 15 A N T 3 S- 0 0 148 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.846 130.5 -61.5 49.2 35.1 -3.7 -21.8 -3.1 16 16 A G T 3 S+ 0 0 14 1,-0.3 -1,-0.3 3,-0.0 2,-0.3 0.390 116.3 113.5 77.4 -4.3 -6.4 -19.3 -2.3 17 17 A Q E < S-I 14 0B 116 -3,-2.4 -3,-2.6 1,-0.1 -1,-0.3 -0.681 82.1 -87.9 -98.5 153.6 -8.2 -20.1 -5.6 18 18 A V E -I 13 0B 29 -2,-0.3 2,-1.3 -5,-0.2 -5,-0.3 -0.407 35.6-140.4 -63.0 125.3 -11.6 -21.8 -5.9 19 19 A D > + 0 0 28 -7,-2.6 4,-2.4 -2,-0.2 5,-0.1 -0.748 23.0 180.0 -88.9 90.5 -11.1 -25.6 -6.0 20 20 A E H > S+ 0 0 110 -2,-1.3 4,-2.7 2,-0.2 5,-0.2 0.841 79.0 56.4 -62.5 -35.8 -13.7 -26.5 -8.6 21 21 A K H > S+ 0 0 187 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.954 111.3 42.5 -60.5 -49.3 -12.8 -30.2 -8.3 22 22 A A H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.892 113.2 53.9 -64.1 -38.9 -13.5 -30.1 -4.5 23 23 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.934 109.3 46.5 -63.8 -46.9 -16.6 -28.1 -5.1 24 24 A A H X S+ 0 0 21 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.906 113.4 50.4 -60.8 -40.1 -18.1 -30.5 -7.6 25 25 A G H X S+ 0 0 35 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.862 108.3 52.9 -65.3 -35.6 -17.2 -33.4 -5.2 26 26 A L H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.901 106.9 51.6 -66.4 -42.1 -18.9 -31.6 -2.4 27 27 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.954 113.9 44.3 -57.2 -50.3 -22.1 -31.1 -4.3 28 28 A D H X S+ 0 0 63 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.916 115.8 46.6 -62.7 -43.9 -22.2 -34.9 -5.2 29 29 A W H X S+ 0 0 47 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.924 112.6 49.0 -67.8 -43.6 -21.3 -36.0 -1.6 30 30 A Q H <>S+ 0 0 0 -4,-2.9 5,-2.6 2,-0.2 -1,-0.2 0.914 114.1 45.9 -65.2 -40.6 -23.8 -33.6 0.1 31 31 A I H ><5S+ 0 0 25 -4,-2.3 3,-1.5 -5,-0.3 -2,-0.2 0.937 111.9 52.0 -64.7 -44.6 -26.6 -34.8 -2.2 32 32 A K H 3<5S+ 0 0 164 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.877 111.6 48.2 -57.1 -38.0 -25.6 -38.5 -1.7 33 33 A H T 3<5S- 0 0 68 -4,-2.2 -1,-0.3 -5,-0.1 181,-0.2 0.101 132.2 -76.6-101.9 21.4 -25.8 -38.0 2.0 34 34 A G T < 5 + 0 0 28 -3,-1.5 -29,-0.2 1,-0.2 -3,-0.2 0.566 64.2 161.7 110.0 13.8 -29.1 -36.3 2.3 35 35 A A < - 0 0 7 -5,-2.6 -1,-0.2 1,-0.1 -29,-0.2 -0.388 22.3-163.0 -58.5 137.2 -29.1 -32.6 1.3 36 36 A H S S- 0 0 69 -31,-3.2 2,-0.3 1,-0.4 -33,-0.2 0.504 74.2 -12.8 -92.1 -12.5 -32.6 -31.3 0.6 37 37 A G E -b 6 0A 0 -32,-0.7 -30,-2.4 33,-0.2 2,-0.4 -0.911 65.4-124.0-177.2 162.4 -31.2 -28.2 -1.2 38 38 A L E -bc 7 72A 0 33,-2.5 35,-2.8 -2,-0.3 -30,-0.2 -0.983 12.8-169.9-127.2 135.1 -27.9 -26.4 -1.7 39 39 A V E -b 8 0A 1 -32,-3.2 -30,-0.5 -2,-0.4 3,-0.5 -0.757 18.0-174.4-126.4 79.4 -27.3 -22.7 -1.0 40 40 A P + 0 0 1 0, 0.0 35,-2.4 0, 0.0 -30,-0.1 -0.368 57.1 22.9 -77.0 159.2 -23.9 -21.7 -2.4 41 41 A V S S+ 0 0 1 -32,-0.4 36,-0.4 33,-0.2 2,-0.2 0.822 77.5 129.4 54.5 43.1 -22.2 -18.3 -2.0 42 42 A G S > >S- 0 0 10 -3,-0.5 5,-2.0 -33,-0.4 3,-0.6 -0.291 86.9 -77.5 -88.4-165.5 -23.8 -17.0 1.2 43 43 A T G > 5S+ 0 0 10 1,-0.2 3,-1.8 3,-0.2 -2,-0.1 0.847 137.2 61.3 -68.4 -27.4 -21.4 -15.8 3.9 44 44 A T G 3 5S+ 0 0 10 1,-0.3 -33,-0.5 2,-0.1 -1,-0.2 0.848 104.6 49.1 -62.2 -31.3 -20.7 -19.5 4.7 45 45 A G G < 5S- 0 0 0 -3,-0.6 -1,-0.3 -35,-0.3 -2,-0.2 0.224 123.2-111.7 -87.9 11.8 -19.5 -19.8 1.1 46 46 A E T X>5 + 0 0 4 -3,-1.8 3,-1.6 1,-0.1 4,-0.9 0.807 54.7 165.8 61.2 36.4 -17.3 -16.7 1.7 47 47 A S G >4< + 0 0 24 -5,-2.0 3,-0.8 1,-0.3 -4,-0.1 0.854 68.9 62.8 -45.6 -41.7 -19.4 -14.4 -0.7 48 48 A P G 34 S+ 0 0 20 0, 0.0 -1,-0.3 0, 0.0 909,-0.1 0.797 109.2 38.2 -61.6 -25.7 -17.7 -11.3 0.7 49 49 A T G <4 S+ 0 0 5 -3,-1.6 2,-0.3 2,-0.1 -2,-0.2 0.427 95.7 93.8-109.2 0.7 -14.2 -12.4 -0.4 50 50 A L S << S- 0 0 8 -4,-0.9 2,-0.0 -3,-0.8 -4,-0.0 -0.720 79.6-118.6 -82.7 142.2 -15.1 -13.9 -3.8 51 51 A T > - 0 0 63 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.352 31.0-104.0 -69.0 162.4 -14.9 -11.6 -6.8 52 52 A E H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.913 124.7 47.8 -53.5 -42.6 -18.1 -10.9 -8.6 53 53 A E H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.899 110.5 50.1 -69.8 -39.3 -16.8 -13.3 -11.4 54 54 A E H > S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.916 108.4 54.2 -60.8 -43.3 -15.8 -16.0 -8.9 55 55 A H H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.945 110.4 46.2 -55.1 -50.9 -19.2 -15.8 -7.3 56 56 A K H X S+ 0 0 34 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.909 111.4 50.9 -61.2 -44.1 -20.9 -16.3 -10.6 57 57 A R H X S+ 0 0 148 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.879 109.4 51.1 -66.8 -34.8 -18.7 -19.2 -11.6 58 58 A V H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.937 110.9 48.2 -63.6 -48.9 -19.3 -21.0 -8.2 59 59 A V H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.930 111.5 50.8 -56.9 -46.5 -23.1 -20.6 -8.7 60 60 A A H X S+ 0 0 27 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.918 110.6 48.7 -58.7 -44.8 -22.9 -22.0 -12.2 61 61 A L H X S+ 0 0 28 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.926 112.6 47.1 -63.1 -45.6 -20.8 -25.0 -11.1 62 62 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.933 113.0 48.8 -65.1 -43.5 -23.2 -25.9 -8.3 63 63 A A H X>S+ 0 0 13 -4,-2.8 4,-0.9 -5,-0.2 5,-0.5 0.936 116.1 43.8 -59.2 -46.4 -26.3 -25.5 -10.5 64 64 A E H ><5S+ 0 0 138 -4,-2.6 3,-0.8 -5,-0.2 -2,-0.2 0.949 115.4 46.3 -63.7 -49.8 -24.7 -27.7 -13.2 65 65 A Q H 3<5S+ 0 0 52 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.826 103.8 62.3 -67.4 -30.6 -23.3 -30.4 -10.9 66 66 A A H ><5S- 0 0 1 -4,-2.4 3,-2.2 -5,-0.3 -1,-0.3 0.823 86.3-160.5 -63.3 -29.8 -26.6 -30.6 -8.9 67 67 A Q T <<5 - 0 0 134 -4,-0.9 -3,-0.1 -3,-0.8 -2,-0.1 0.825 63.5 -63.6 52.8 37.1 -28.2 -31.8 -12.2 68 68 A G T 3 > S- 0 0 17 1,-0.1 4,-2.2 1066,-0.1 3,-0.7 -0.960 72.6-156.8-115.6 111.8 -25.8 -2.4 -3.3 81 81 A P H 3> S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.804 93.2 62.4 -61.9 -25.9 -29.0 -3.5 -5.1 82 82 A V H 3> S+ 0 0 76 1063,-0.2 4,-1.5 2,-0.2 845,-0.0 0.918 108.6 42.4 -61.6 -42.2 -27.4 -2.8 -8.5 83 83 A E H <> S+ 0 0 45 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.902 111.3 54.7 -69.0 -42.6 -24.8 -5.5 -7.6 84 84 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.894 104.6 55.2 -57.5 -40.7 -27.5 -7.8 -6.2 85 85 A V H X S+ 0 0 18 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.930 106.7 50.6 -57.9 -45.3 -29.4 -7.6 -9.5 86 86 A R H X S+ 0 0 86 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.919 111.5 47.4 -61.5 -43.1 -26.3 -8.7 -11.4 87 87 A Y H X S+ 0 0 11 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.910 114.1 47.0 -62.3 -42.7 -25.8 -11.7 -9.1 88 88 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.883 111.0 50.8 -69.8 -39.5 -29.5 -12.7 -9.4 89 89 A Q H X S+ 0 0 87 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.911 112.4 46.8 -63.7 -42.6 -29.6 -12.3 -13.2 90 90 A H H X S+ 0 0 46 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.938 109.1 55.2 -63.2 -45.5 -26.5 -14.5 -13.5 91 91 A A H X>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 4,-0.5 0.916 109.0 47.7 -52.8 -45.1 -28.0 -17.1 -11.1 92 92 A Q H ><5S+ 0 0 40 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.938 112.2 48.1 -62.0 -47.6 -31.1 -17.4 -13.2 93 93 A Q H 3<5S+ 0 0 157 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.829 109.1 55.0 -63.3 -30.9 -29.1 -17.7 -16.5 94 94 A A H 3<5S- 0 0 16 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.530 123.5-103.5 -81.3 -7.6 -26.9 -20.4 -14.8 95 95 A G T <<5 + 0 0 46 -3,-1.3 -3,-0.2 -4,-0.5 -23,-0.2 0.626 62.5 158.6 95.5 16.5 -30.0 -22.4 -13.9 96 96 A A < - 0 0 5 -5,-2.7 -1,-0.2 -6,-0.2 -23,-0.2 -0.392 38.8-140.5 -64.3 149.6 -30.3 -21.7 -10.2 97 97 A D S S- 0 0 75 -25,-2.4 2,-0.3 1,-0.2 -24,-0.2 0.700 74.7 -16.3 -84.8 -24.3 -33.9 -22.3 -8.8 98 98 A A E -d 73 0A 0 -26,-1.2 -24,-2.5 29,-0.2 2,-0.3 -0.939 65.7-117.0-164.2 173.9 -34.0 -19.3 -6.6 99 99 A V E -de 74 129A 0 29,-2.0 31,-3.0 -2,-0.3 2,-0.5 -0.953 10.8-140.7-127.1 152.2 -31.8 -16.7 -4.9 100 100 A L E -de 75 130A 4 -26,-2.3 -24,-3.0 -2,-0.3 2,-0.5 -0.966 26.8-165.9-110.1 121.5 -31.0 -15.8 -1.3 101 101 A C E + e 0 131A 0 29,-2.6 31,-2.9 -2,-0.5 2,-0.3 -0.925 17.1 178.9-125.7 112.8 -30.8 -12.1 -0.7 102 102 A V - 0 0 3 -2,-0.5 -24,-1.3 29,-0.2 2,-0.3 -0.698 18.0-173.8 -92.2 157.3 -29.4 -10.1 2.2 103 103 A A + 0 0 5 29,-0.5 -24,-0.2 -2,-0.3 37,-0.1 -0.973 45.8 26.4-144.5 157.8 -29.5 -6.2 2.0 104 104 A G > + 0 0 0 -26,-0.3 4,-1.7 -2,-0.3 36,-0.2 0.473 60.7 156.0 78.2 5.4 -28.4 -3.1 3.8 105 105 A Y T 4 S- 0 0 23 1,-0.2 2,-2.2 2,-0.2 -1,-0.2 -0.450 73.9 -2.6 -65.8 141.5 -25.3 -4.3 5.8 106 106 A Y T 4 S+ 0 0 7 909,-0.8 -1,-0.2 32,-0.5 911,-0.1 -0.330 129.0 61.9 75.3 -54.7 -22.9 -1.4 6.7 107 107 A N T 4 S- 0 0 10 -2,-2.2 -1,-0.2 817,-0.0 -2,-0.2 0.767 90.3-155.9 -72.9 -21.7 -24.8 1.3 4.8 108 108 A R < - 0 0 86 -4,-1.7 -3,-0.1 30,-0.2 1017,-0.1 0.905 15.6-169.5 57.9 58.8 -27.8 0.6 7.2 109 109 A P - 0 0 8 0, 0.0 1038,-0.1 0, 0.0 -1,-0.1 -0.158 22.4 -94.3 -75.9 172.6 -30.8 1.9 5.3 110 110 A S > - 0 0 30 1036,-0.4 4,-2.4 1014,-0.1 5,-0.2 -0.178 42.3 -96.6 -72.1 172.1 -34.4 2.4 6.4 111 111 A Q H > S+ 0 0 58 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.899 128.3 51.7 -58.6 -40.6 -37.2 -0.1 6.0 112 112 A E H > S+ 0 0 75 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.887 108.0 51.9 -64.5 -39.3 -38.3 1.7 2.8 113 113 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.912 110.6 48.2 -61.8 -43.3 -34.7 1.4 1.5 114 114 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.936 110.9 51.2 -61.9 -46.7 -34.7 -2.3 2.2 115 115 A Y H X S+ 0 0 21 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.933 110.4 48.3 -55.7 -48.9 -38.0 -2.7 0.5 116 116 A Q H X S+ 0 0 58 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.863 108.8 54.6 -63.2 -35.8 -36.8 -0.9 -2.6 117 117 A H H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.971 112.6 41.9 -58.7 -54.3 -33.6 -3.0 -2.7 118 118 A F H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.870 112.4 54.4 -64.6 -36.5 -35.6 -6.3 -2.7 119 119 A K H X S+ 0 0 66 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.887 105.8 53.5 -64.8 -38.0 -38.1 -4.9 -5.2 120 120 A M H X S+ 0 0 66 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.929 112.7 43.2 -59.9 -45.9 -35.3 -4.0 -7.6 121 121 A V H >X S+ 0 0 0 -4,-1.9 3,-0.8 2,-0.2 4,-0.6 0.949 114.3 51.3 -65.6 -46.8 -34.0 -7.6 -7.5 122 122 A H H >< S+ 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0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.862 72.5 53.1 -60.8 -34.5 -25.9 -33.9 6.1 211 211 A A H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.965 113.7 39.6 -69.5 -49.8 -27.4 -37.3 6.9 212 212 A L H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.895 116.5 50.8 -63.9 -42.2 -28.1 -36.6 10.6 213 213 A Y H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.908 109.7 51.2 -61.8 -40.4 -29.2 -33.0 9.9 214 214 A G H X S+ 0 0 7 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.891 110.5 49.2 -61.5 -40.1 -31.6 -34.4 7.2 215 215 A Q H X S+ 0 0 104 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.880 110.3 50.8 -66.5 -39.3 -32.9 -36.9 9.7 216 216 A M H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.944 112.8 45.2 -64.5 -47.7 -33.4 -34.1 12.3 217 217 A Q H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.928 111.4 53.2 -61.3 -45.3 -35.3 -31.9 9.9 218 218 A T H X S+ 0 0 61 -4,-2.5 4,-2.1 1,-0.2 6,-0.2 0.929 106.3 53.9 -54.8 -47.2 -37.4 -34.9 8.7 219 219 A A H X>S+ 0 0 2 -4,-2.5 5,-2.2 1,-0.2 4,-0.6 0.907 108.0 48.9 -56.2 -43.9 -38.4 -35.6 12.3 220 220 A T H ><5S+ 0 0 8 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230 230 A R H X S+ 0 0 124 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.903 112.0 44.7 -60.9 -37.5 -32.5 -36.6 20.4 231 231 A I H X S+ 0 0 7 -4,-2.1 4,-1.8 2,-0.2 3,-0.3 0.919 109.8 55.0 -71.6 -42.8 -30.7 -35.9 17.1 232 232 A H H X S+ 0 0 5 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.892 105.5 53.8 -52.3 -42.2 -30.1 -32.3 18.1 233 233 A D H < S+ 0 0 64 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.847 106.7 51.0 -65.2 -34.2 -28.4 -33.6 21.3 234 234 A L H < S+ 0 0 106 -4,-1.2 4,-0.3 -3,-0.3 -1,-0.2 0.852 114.9 43.6 -67.4 -34.9 -26.0 -35.8 19.2 235 235 A L H X S+ 0 0 1 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.466 88.2 94.0 -88.8 -6.2 -25.1 -32.7 17.0 236 236 A A H X S+ 0 0 3 -4,-0.7 4,-2.3 -3,-0.4 5,-0.2 0.916 84.4 47.7 -59.2 -51.2 -24.8 -30.3 19.9 237 237 A P H > S+ 0 0 58 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.896 112.7 52.2 -56.9 -38.9 -21.0 -30.7 20.4 238 238 A L H > S+ 0 0 0 -4,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.937 107.4 50.1 -62.1 -49.2 -20.5 -30.3 16.6 239 239 A H H X S+ 0 0 5 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.947 112.5 48.3 -52.9 -51.8 -22.6 -27.0 16.5 240 240 A E H >X S+ 0 0 69 -4,-2.3 3,-0.7 1,-0.2 4,-0.6 0.921 113.7 45.5 -57.0 -47.4 -20.5 -25.5 19.4 241 241 A A H >< S+ 0 0 1 -4,-2.3 3,-0.6 1,-0.2 4,-0.5 0.871 109.6 54.9 -68.0 -36.3 -17.2 -26.5 17.8 242 242 A L H 3< S+ 0 0 0 -4,-2.7 8,-0.5 1,-0.2 9,-0.4 0.672 117.8 35.5 -70.4 -16.1 -18.1 -25.3 14.3 243 243 A F H << S+ 0 0 90 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.347 86.0 98.6-118.9 5.3 -19.0 -21.8 15.7 244 244 A R S << S+ 0 0 91 -4,-0.6 -2,-0.1 -3,-0.6 -3,-0.1 0.909 95.7 28.2 -59.8 -47.4 -16.3 -21.4 18.4 245 245 A E S S- 0 0 37 -4,-0.5 5,-0.3 1,-0.1 2,-0.1 -0.712 121.8 -63.9-104.8 161.6 -14.1 -19.3 16.1 246 246 A P S > S- 0 0 38 0, 0.0 3,-1.6 0, 0.0 24,-0.2 -0.270 75.2 -90.2 -56.9 120.5 -15.7 -17.3 13.3 247 247 A S T 3 S+ 0 0 9 1,-0.3 -4,-0.1 2,-0.2 -5,-0.0 -0.337 104.0 36.4 -61.3 147.8 -17.4 -19.4 10.7 248 248 A P T 3> S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 -0.893 100.4 80.0 -92.4 23.5 -16.7 -20.8 8.1 249 249 A A H <> S+ 0 0 6 -3,-1.6 4,-2.0 1,-0.2 23,-0.2 0.921 98.7 46.0 -52.8 -46.0 -13.2 -21.7 9.6 250 250 A G H > S+ 0 0 1 -8,-0.5 4,-2.7 -5,-0.3 -1,-0.2 0.937 113.2 46.3 -63.9 -50.9 -14.7 -24.6 11.6 251 251 A A H > S+ 0 0 0 -9,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.891 111.4 53.0 -60.6 -39.9 -16.8 -26.1 8.8 252 252 A K H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.916 111.5 45.6 -65.3 -42.1 -13.9 -25.9 6.3 253 253 A Y H X S+ 0 0 27 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.929 111.9 51.4 -63.8 -45.2 -11.6 -27.7 8.7 254 254 A A H X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.2 3,-0.2 0.924 108.5 51.7 -58.7 -42.8 -14.2 -30.4 9.5 255 255 A A H <>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 6,-0.5 0.856 104.9 57.1 -63.5 -33.3 -14.8 -31.0 5.7 256 256 A S H ><5S+ 0 0 30 -4,-1.5 3,-1.4 1,-0.2 -1,-0.2 0.882 101.9 55.2 -64.7 -35.4 -11.0 -31.4 5.3 257 257 A L H 3<5S+ 0 0 62 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.777 103.9 55.0 -66.7 -27.1 -11.1 -34.2 7.9 258 258 A L T 3<5S- 0 0 40 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.441 119.4-113.7 -84.1 -1.1 -13.7 -36.0 5.8 259 259 A G T < 5S+ 0 0 66 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.649 85.3 116.7 81.0 19.1 -11.3 -35.8 2.8 260 260 A L S - 0 0 41 -2,-0.3 3,-2.2 1,-0.1 -217,-0.1 -0.692 56.0 -64.6 -88.7 141.6 -9.7 -16.4 2.7 267 267 A L T 3 S+ 0 0 51 1,-0.3 693,-0.2 -2,-0.3 3,-0.1 -0.282 119.8 42.3 -51.7 142.1 -8.8 -13.6 5.1 268 268 A P T 3 S+ 0 0 1 0, 0.0 720,-0.4 0, 0.0 2,-0.3 -0.960 107.0 76.5 -88.2 11.0 -10.3 -12.2 7.3 269 269 A I S < S- 0 0 10 -3,-2.2 -4,-0.1 718,-0.1 -22,-0.1 -0.683 76.8-161.7 -75.8 134.2 -11.3 -15.8 8.1 270 270 A V - 0 0 18 -2,-0.3 -4,-0.1 -24,-0.2 721,-0.1 -0.778 23.1 -78.9-122.3 161.4 -8.2 -17.2 9.8 271 271 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 -0.276 53.2-108.3 -58.6 144.3 -6.8 -20.7 10.7 272 272 A L - 0 0 12 -23,-0.2 2,-0.1 1,-0.1 0, 0.0 -0.299 32.2-104.0 -66.3 155.1 -8.2 -22.4 13.7 273 273 A S > - 0 0 54 1,-0.1 4,-2.4 -2,-0.0 5,-0.2 -0.364 32.1-110.9 -69.9 160.6 -6.4 -22.9 16.9 274 274 A E H > S+ 0 0 142 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.844 118.5 55.7 -63.7 -32.9 -5.0 -26.4 17.7 275 275 A Q H > S+ 0 0 117 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.930 108.3 46.2 -65.6 -45.1 -7.5 -26.8 20.5 276 276 A T H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.941 113.9 49.4 -63.4 -43.4 -10.5 -26.1 18.2 277 277 A K H X S+ 0 0 28 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.928 111.0 49.5 -58.0 -46.8 -9.0 -28.5 15.6 278 278 A S H X S+ 0 0 55 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.907 111.6 48.7 -60.4 -43.4 -8.5 -31.2 18.2 279 279 A D H X S+ 0 0 40 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.909 112.6 47.4 -64.3 -44.1 -12.1 -30.8 19.5 280 280 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.923 110.5 52.6 -63.3 -43.6 -13.6 -30.9 16.0 281 281 A K H X S+ 0 0 109 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.908 110.1 48.3 -58.5 -43.8 -11.4 -34.0 15.2 282 282 A N H X S+ 0 0 96 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.892 112.1 48.9 -62.7 -42.3 -12.7 -35.8 18.3 283 283 A I H X S+ 0 0 26 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.901 110.5 50.3 -64.4 -44.0 -16.3 -34.9 17.5 284 284 A I H X S+ 0 0 7 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.895 110.3 50.7 -61.5 -42.3 -16.0 -36.1 13.8 285 285 A N H < S+ 0 0 95 -4,-2.2 -1,-0.2 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32,-0.9 -0.691 62.8 177.5 -86.0 102.5 -49.0 -24.1 32.6 296 6 B L E -jk 492 327C 0 195,-2.6 197,-2.6 -2,-0.9 2,-0.5 -0.931 25.7-132.0-110.4 119.3 -47.9 -22.4 35.9 297 7 B I E -jk 493 328C 0 30,-2.6 32,-3.2 -2,-0.6 2,-1.7 -0.617 4.1-146.7 -86.4 122.0 -49.6 -19.1 36.4 298 8 B A E - k 0 329C 5 195,-2.8 199,-0.1 -2,-0.5 -1,-0.1 -0.644 41.2-137.5 -76.6 87.1 -47.5 -16.0 37.3 299 9 B M - 0 0 2 -2,-1.7 33,-0.4 30,-0.8 32,-0.4 -0.171 7.3-134.0 -63.8 134.3 -50.4 -14.7 39.5 300 10 B I - 0 0 1 194,-0.1 35,-0.3 35,-0.1 -1,-0.1 -0.421 19.8-129.9 -66.4 154.6 -51.5 -11.1 39.6 301 11 B T - 0 0 1 33,-0.5 2,-0.2 -2,-0.1 250,-0.0 -0.961 21.5-140.4-109.9 115.2 -52.2 -9.6 43.0 302 12 B P - 0 0 0 0, 0.0 7,-2.8 0, 0.0 2,-0.3 -0.528 16.7-161.1 -77.8 144.4 -55.6 -7.9 43.3 303 13 B F E -R 308 0D 2 251,-0.4 249,-0.4 249,-0.3 2,-0.3 -0.893 12.0-177.7-121.3 152.1 -56.0 -4.7 45.2 304 14 B I E > S-R 307 0D 68 3,-2.6 3,-2.3 -2,-0.3 6,-0.1 -0.959 74.4 -10.6-148.6 131.4 -59.0 -2.8 46.7 305 15 B N T 3 S- 0 0 151 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.864 130.0 -52.5 45.2 45.0 -58.9 0.5 48.5 306 16 B G T 3 S+ 0 0 42 1,-0.2 -1,-0.3 3,-0.0 2,-0.2 0.415 121.8 93.6 79.7 0.3 -55.1 0.5 48.6 307 17 B Q E < S-R 304 0D 111 -3,-2.3 -3,-2.6 1,-0.0 -1,-0.2 -0.740 89.1 -80.3-121.1 164.0 -54.9 -3.0 50.2 308 18 B V E -R 303 0D 8 -2,-0.2 2,-1.3 -5,-0.2 -5,-0.3 -0.497 43.3-131.3 -59.9 128.5 -54.5 -6.6 49.1 309 19 B D > + 0 0 24 -7,-2.8 4,-2.4 -2,-0.2 5,-0.2 -0.702 29.6 179.9 -86.6 89.5 -58.0 -7.8 48.0 310 20 B E H > S+ 0 0 83 -2,-1.3 4,-2.4 1,-0.2 5,-0.2 0.858 77.5 50.8 -62.7 -40.6 -58.1 -11.0 49.9 311 21 B K H > S+ 0 0 184 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 113.2 45.5 -62.4 -45.1 -61.6 -12.0 48.7 312 22 B A H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.880 111.8 53.2 -64.8 -38.2 -60.7 -11.5 45.1 313 23 B L H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.932 109.9 46.2 -65.1 -46.8 -57.4 -13.3 45.6 314 24 B A H X S+ 0 0 30 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.922 114.0 49.5 -59.5 -44.2 -59.1 -16.4 47.0 315 25 B G H X S+ 0 0 37 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.852 108.6 53.6 -62.5 -35.8 -61.7 -16.3 44.2 316 26 B L H X S+ 0 0 3 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.908 106.9 50.5 -66.7 -44.4 -58.9 -16.0 41.7 317 27 B V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.944 113.7 45.5 -56.7 -50.2 -57.1 -19.1 43.0 318 28 B D H X S+ 0 0 61 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.910 115.3 46.8 -61.7 -41.7 -60.4 -21.1 42.8 319 29 B W H X S+ 0 0 52 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.920 112.6 48.5 -69.0 -43.7 -61.2 -19.8 39.3 320 30 B Q H <>S+ 0 0 0 -4,-3.0 5,-2.5 2,-0.2 -2,-0.2 0.914 114.7 45.3 -65.2 -40.8 -57.7 -20.4 37.9 321 31 B I H ><5S+ 0 0 25 -4,-2.4 3,-1.6 -5,-0.2 -2,-0.2 0.937 112.0 52.3 -65.7 -46.7 -57.6 -23.9 39.3 322 32 B K H 3<5S+ 0 0 164 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.883 111.2 48.8 -53.8 -39.9 -61.2 -24.6 38.0 323 33 B H T 3<5S- 0 0 69 -4,-2.2 -1,-0.3 -5,-0.1 181,-0.2 0.123 131.9 -77.7-100.2 21.6 -60.2 -23.4 34.5 324 34 B G T < 5 + 0 0 29 -3,-1.6 -3,-0.2 1,-0.2 -29,-0.2 0.566 63.7 161.8 109.5 13.2 -57.0 -25.5 34.1 325 35 B A < - 0 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482 192 B A H > S+ 0 0 0 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.892 111.4 51.9 -56.1 -41.9 -40.3 -23.0 20.9 483 193 B Y H ><>S+ 0 0 5 -4,-2.6 5,-2.4 1,-0.2 3,-0.6 0.930 110.2 45.5 -65.5 -46.9 -38.9 -23.5 24.4 484 194 B N H ><5S+ 0 0 12 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.870 108.8 56.2 -68.2 -32.8 -40.8 -26.8 25.0 485 195 B A H 3<5S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.778 106.5 53.8 -64.6 -23.5 -39.8 -28.2 21.6 486 196 B S T <<5S- 0 0 6 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.274 141.3 -72.9 -95.8 7.1 -36.2 -27.5 22.7 487 197 B G T < 5S+ 0 0 24 -3,-1.6 -15,-0.3 1,-0.3 -3,-0.2 0.338 87.8 139.4 118.1 -3.1 -36.5 -29.5 26.0 488 198 B G < - 0 0 8 -5,-2.4 -1,-0.3 -6,-0.2 -15,-0.2 -0.281 37.2-160.5 -67.6 157.6 -38.7 -27.2 28.1 489 199 B Q - 0 0 31 -17,-3.3 -195,-2.6 1,-0.2 2,-0.3 0.205 61.9 -27.1-129.5 21.4 -41.4 -28.7 30.2 490 200 B G E -j 294 0C 0 -18,-0.4 -16,-2.8 -197,-0.3 2,-0.3 -0.972 57.9-105.7 161.3-172.1 -43.7 -25.8 30.9 491 201 B C E -jq 295 474C 0 -197,-2.5 -195,-2.6 -2,-0.3 2,-0.9 -0.985 12.7-138.5-148.7 134.0 -44.0 -22.0 31.3 492 202 B I E -j 296 0C 4 -18,-2.6 2,-0.3 -2,-0.3 -195,-0.2 -0.884 50.9-163.4 -90.3 104.3 -44.5 -19.6 34.2 493 203 B S E -j 297 0C 0 -197,-2.6 -195,-2.8 -2,-0.9 -164,-0.1 -0.751 42.9-169.0-112.0 139.3 -47.0 -17.6 32.3 494 204 B V S > S+ 0 0 14 -2,-0.3 3,-1.9 -197,-0.2 4,-0.3 0.883 95.2 53.1 -82.0 -46.3 -48.6 -14.1 32.5 495 205 B S G >> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 3,-1.8 0.773 93.2 72.8 -64.4 -25.9 -51.3 -14.8 29.8 496 206 B A G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.703 83.4 70.6 -63.3 -18.0 -52.4 -17.9 31.7 497 207 B N G <4 S+ 0 0 1 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.847 112.9 27.6 -56.0 -35.7 -53.9 -15.5 34.3 498 208 B I T <4 S+ 0 0 8 -3,-1.8 -2,-0.2 -4,-0.3 -1,-0.1 0.775 134.4 28.3-104.5 -37.2 -56.5 -14.6 31.7 499 209 B A X + 0 0 14 -4,-2.2 4,-2.6 1,-0.1 5,-0.3 -0.467 67.9 152.9-124.5 58.0 -56.9 -17.7 29.4 500 210 B P H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.846 71.2 53.3 -60.7 -32.9 -55.9 -20.5 31.7 501 211 B A H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.970 114.8 38.3 -69.2 -50.1 -58.0 -23.1 29.9 502 212 B L H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.902 116.9 51.4 -64.2 -42.7 -56.5 -22.5 26.4 503 213 B Y H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.922 110.3 49.4 -64.9 -40.8 -53.0 -22.0 27.9 504 214 B G H X S+ 0 0 4 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.905 110.9 49.9 -60.7 -44.1 -53.3 -25.3 29.8 505 215 B Q H X S+ 0 0 101 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.896 110.9 50.1 -60.7 -40.9 -54.4 -27.1 26.6 506 216 B M H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.936 112.2 46.3 -64.2 -47.9 -51.5 -25.6 24.7 507 217 B Q H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.942 112.1 50.4 -60.8 -48.1 -49.0 -26.7 27.3 508 218 B T H X S+ 0 0 48 -4,-2.8 4,-1.8 1,-0.2 6,-0.2 0.907 107.4 55.4 -58.1 -39.5 -50.4 -30.2 27.6 509 219 B A H <>S+ 0 0 6 -4,-2.3 5,-2.4 1,-0.2 3,-0.3 0.930 108.3 47.3 -60.0 -45.5 -50.2 -30.5 23.8 510 220 B T H ><5S+ 0 0 9 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.905 111.7 51.1 -61.1 -39.3 -46.5 -29.7 23.8 511 221 B L H 3<5S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.773 109.6 50.0 -70.9 -25.1 -45.9 -32.2 26.6 512 222 B Q T 3<5S- 0 0 154 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.342 120.2-110.7 -93.3 3.0 -47.8 -34.9 24.6 513 223 B G T < 5S+ 0 0 28 -3,-1.2 2,-1.3 -4,-0.3 -288,-0.4 0.519 77.0 132.9 83.6 9.6 -45.7 -34.1 21.5 514 224 B D >< + 0 0 65 -5,-2.4 4,-2.0 -6,-0.2 -1,-0.2 -0.630 17.6 160.8 -95.1 78.3 -48.6 -32.6 19.6 515 225 B F H > + 0 0 17 -2,-1.3 4,-2.3 -292,-0.4 -1,-0.2 0.723 69.2 62.3 -75.5 -20.6 -46.9 -29.4 18.3 516 226 B R H > S+ 0 0 173 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.961 109.4 41.4 -64.0 -50.2 -49.5 -28.9 15.5 517 227 B E H > S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.916 113.9 53.4 -63.6 -41.8 -52.2 -28.6 18.1 518 228 B A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.926 109.5 47.1 -60.1 -45.5 -50.0 -26.4 20.4 519 229 B L H X S+ 0 0 23 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.874 106.6 58.7 -67.4 -34.4 -49.2 -24.0 17.6 520 230 B R H X S+ 0 0 107 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.940 111.5 41.2 -55.9 -47.9 -52.9 -23.8 16.6 521 231 B I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.917 111.4 55.9 -69.6 -41.5 -53.7 -22.6 20.2 522 232 B H H X S+ 0 0 4 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.915 106.4 51.7 -53.1 -45.0 -50.6 -20.3 20.3 523 233 B D H < S+ 0 0 57 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.867 107.6 52.0 -63.4 -36.4 -51.9 -18.6 17.1 524 234 B L H < S+ 0 0 67 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.852 114.4 44.0 -63.7 -35.5 -55.3 -18.0 18.8 525 235 B L H X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.533 87.3 91.8 -88.5 -8.5 -53.5 -16.4 21.8 526 236 B A H X S+ 0 0 4 -4,-1.0 4,-2.6 -3,-0.4 5,-0.2 0.895 85.8 48.8 -61.8 -45.5 -51.0 -14.2 19.9 527 237 B P H > S+ 0 0 48 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.909 112.7 50.0 -58.1 -40.6 -53.2 -11.1 19.7 528 238 B L H > S+ 0 0 0 -4,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.943 109.2 51.5 -60.3 -49.4 -53.9 -11.5 23.5 529 239 B H H X S+ 0 0 1 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.959 110.9 48.1 -51.2 -53.9 -50.2 -11.8 24.2 530 240 B E H X S+ 0 0 96 -4,-2.6 4,-0.8 1,-0.2 3,-0.5 0.908 114.1 45.8 -55.7 -45.4 -49.4 -8.7 22.2 531 241 B A H < S+ 0 0 1 -4,-2.2 4,-0.5 1,-0.2 3,-0.4 0.865 109.7 53.8 -69.4 -35.7 -52.1 -6.6 24.0 532 242 B L H < S+ 0 0 1 -4,-2.7 8,-0.5 1,-0.2 9,-0.4 0.690 118.7 35.6 -70.9 -19.6 -51.2 -7.9 27.5 533 243 B F H < S+ 0 0 83 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.399 86.5 97.2-115.3 2.0 -47.6 -6.8 27.0 534 244 B R S < S+ 0 0 93 -4,-0.8 -2,-0.1 -3,-0.4 -3,-0.1 0.913 94.4 31.0 -58.7 -49.2 -48.0 -3.6 25.0 535 245 B E S S- 0 0 37 -4,-0.5 5,-0.3 1,-0.1 2,-0.1 -0.709 121.7 -64.5-101.8 159.5 -47.7 -1.4 28.1 536 246 B P S > S- 0 0 41 0, 0.0 3,-1.6 0, 0.0 24,-0.2 -0.232 75.3 -91.6 -54.8 119.8 -45.6 -2.5 31.1 537 247 B S T 3 S+ 0 0 8 1,-0.3 -4,-0.1 -4,-0.2 -5,-0.0 -0.367 103.7 37.2 -63.5 148.4 -47.0 -5.7 32.7 538 248 B P T 3> S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 -0.884 100.4 79.7 -92.3 24.7 -49.0 -6.3 34.9 539 249 B A H <> S+ 0 0 7 -3,-1.6 4,-2.1 1,-0.2 23,-0.2 0.924 99.5 45.5 -53.7 -45.1 -51.1 -3.3 33.8 540 250 B G H > S+ 0 0 0 -8,-0.5 4,-2.9 -5,-0.3 -1,-0.2 0.939 113.5 45.8 -64.0 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D A X + 0 0 6 -4,-2.1 4,-2.7 1,-0.1 5,-0.3 -0.488 67.0 152.7-125.7 59.8 -21.3 24.0 8.1 1088 210 D P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.871 71.9 53.5 -61.0 -35.7 -17.5 23.9 7.5 1089 211 D A H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.966 115.4 37.5 -64.6 -52.0 -16.9 27.4 8.9 1090 212 D L H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.917 117.2 51.8 -65.3 -43.5 -18.6 26.8 12.2 1091 213 D Y H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.910 110.3 48.8 -61.5 -42.1 -17.3 23.2 12.5 1092 214 D G H X S+ 0 0 4 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 0.901 110.6 51.0 -61.3 -44.0 -13.7 24.3 11.8 1093 215 D Q H X S+ 0 0 90 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.898 110.7 49.4 -59.1 -42.3 -14.1 27.1 14.5 1094 216 D M H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.937 112.6 46.5 -63.9 -48.1 -15.4 24.5 17.0 1095 217 D Q H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.945 112.2 50.1 -59.5 -50.4 -12.5 22.1 16.3 1096 218 D T H X S+ 0 0 45 -4,-2.9 4,-1.7 1,-0.2 6,-0.2 0.902 107.1 56.0 -55.0 -42.4 -9.9 24.9 16.5 1097 219 D A H <>S+ 0 0 5 -4,-2.4 5,-2.6 1,-0.2 4,-0.4 0.922 108.3 46.9 -57.8 -45.0 -11.4 26.0 19.8 1098 220 D T H ><5S+ 0 0 8 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.908 110.9 52.4 -62.5 -39.6 -10.9 22.5 21.3 1099 221 D L H 3<5S+ 0 0 58 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.766 110.4 48.0 -68.9 -25.1 -7.4 22.3 20.0 1100 222 D Q T 3<5S- 0 0 152 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.393 119.2-111.0 -93.6 0.3 -6.6 25.7 21.6 1101 223 D G T < 5S+ 0 0 37 -3,-1.2 2,-1.5 -4,-0.4 -288,-0.4 0.564 76.5 134.3 82.3 9.4 -8.1 24.6 24.9 1102 224 D D >< + 0 0 79 -5,-2.6 4,-2.1 -6,-0.2 -1,-0.2 -0.594 17.4 159.3 -91.9 74.8 -11.1 26.9 24.6 1103 225 D F H > + 0 0 16 -2,-1.5 4,-2.4 -292,-0.4 -1,-0.2 0.760 68.2 60.6 -73.1 -24.6 -13.8 24.5 25.5 1104 226 D R H > S+ 0 0 216 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.946 109.6 43.4 -62.8 -47.3 -16.3 27.2 26.5 1105 227 D E H > S+ 0 0 61 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.909 112.0 53.6 -63.0 -43.8 -16.1 28.5 22.9 1106 228 D A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.921 110.1 47.2 -57.3 -45.2 -16.3 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80.2 -91.6 26.4 -26.2 10.6 3.8 1127 249 D A H <> S+ 0 0 7 -3,-1.5 4,-2.0 1,-0.2 23,-0.2 0.923 98.4 45.8 -54.9 -45.9 -29.8 11.5 2.8 1128 250 D G H > S+ 0 0 0 -8,-0.5 4,-2.7 -5,-0.3 -1,-0.2 0.944 113.8 46.2 -61.8 -54.0 -29.8 14.5 5.2 1129 251 D A H > S+ 0 0 0 -9,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.879 112.1 51.5 -58.8 -40.8 -26.4 15.8 4.2 1130 252 D K H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.916 112.5 45.6 -65.5 -42.0 -27.1 15.5 0.5 1131 253 D Y H X S+ 0 0 35 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.923 112.3 50.7 -66.0 -44.6 -30.4 17.4 0.8 1132 254 D A H X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.922 109.4 51.3 -58.8 -44.4 -28.8 20.1 3.0 1133 255 D A H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 6,-0.4 0.855 106.0 55.9 -60.7 -35.3 -26.0 20.6 0.4 1134 256 D S H ><5S+ 0 0 24 -4,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.872 102.4 55.3 -66.3 -35.7 -28.6 20.9 -2.3 1135 257 D L H 3<5S+ 0 0 65 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.777 105.3 53.4 -64.7 -27.5 -30.2 23.8 -0.4 1136 258 D L T 3<5S- 0 0 44 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.424 119.1-115.2 -85.9 -0.9 -26.8 25.5 -0.4 1137 259 D G T < 5S+ 0 0 68 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.663 82.8 120.5 77.0 20.7 -26.8 25.1 -4.2 1138 260 D L S - 0 0 48 -2,-0.3 3,-2.1 1,-0.1 -217,-0.1 -0.700 56.1 -64.0 -92.2 139.6 -28.4 5.9 -4.5 1145 267 D L T 3 S+ 0 0 49 1,-0.3 -1063,-0.2 -2,-0.3 3,-0.1 -0.259 119.8 42.4 -48.0 141.1 -30.6 3.1 -3.2 1146 268 D P T 3 S+ 0 0 0 0, 0.0 -1036,-0.4 0, 0.0 -1,-0.3 -0.967 107.5 76.5 -87.0 9.8 -30.8 1.9 -0.4 1147 269 D I S < S- 0 0 10 -3,-2.1 -4,-0.1 -1038,-0.1 -22,-0.1 -0.632 75.6-162.5 -74.3 136.1 -30.6 5.5 0.7 1148 270 D V - 0 0 22 -2,-0.3 -4,-0.1 -24,-0.2 -1035,-0.1 -0.811 23.7 -80.0-123.3 160.8 -34.0 7.0 -0.0 1149 271 D P - 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 -0.276 53.0-107.5 -56.2 145.9 -35.5 10.5 -0.4 1150 272 D L - 0 0 14 -23,-0.2 2,-0.1 1,-0.1 0, 0.0 -0.311 32.5-104.0 -68.3 155.0 -36.2 12.4 2.9 1151 273 D S > - 0 0 52 1,-0.1 4,-2.3 -2,-0.0 5,-0.2 -0.375 32.6-110.3 -69.0 159.7 -39.7 13.0 4.2 1152 274 D E H > S+ 0 0 139 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.870 118.9 56.7 -60.8 -36.5 -41.2 16.4 3.7 1153 275 D Q H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.929 108.3 45.0 -61.0 -48.0 -41.0 16.9 7.5 1154 276 D T H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.912 112.6 52.1 -63.8 -42.5 -37.2 16.2 7.6 1155 277 D K H X S+ 0 0 33 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.922 110.2 49.0 -56.7 -46.8 -36.7 18.5 4.5 1156 278 D S H X S+ 0 0 47 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.911 110.6 49.7 -61.4 -45.2 -38.5 21.3 6.3 1157 279 D D H X S+ 0 0 40 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.894 112.6 47.2 -61.7 -42.4 -36.5 20.9 9.5 1158 280 D I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.929 110.4 52.9 -63.9 -45.0 -33.2 21.0 7.6 1159 281 D K H X S+ 0 0 88 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.904 110.1 48.1 -56.7 -43.5 -34.4 24.0 5.6 1160 282 D N H X S+ 0 0 81 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.878 112.0 48.9 -66.9 -38.4 -35.2 25.9 8.8 1161 283 D I H X S+ 0 0 25 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.923 111.5 49.2 -65.4 -46.2 -31.8 25.0 10.3 1162 284 D I H X S+ 0 0 10 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.926 110.8 50.5 -57.4 -48.7 -29.9 26.1 7.2 1163 285 D N H < S+ 0 0 95 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.855 111.8 48.5 -57.9 -38.9 -31.9 29.4 7.2 1164 286 D E H >< S+ 0 0 146 -4,-1.7 3,-0.7 -5,-0.2 -2,-0.2 0.918 116.5 41.0 -69.0 -46.0 -31.0 29.9 10.8 1165 287 D L H 3< S+ 0 0 45 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.930 113.4 51.0 -67.5 -47.9 -27.2 29.2 10.4 1166 288 D Y T 3< 0 0 104 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.1 0.200 360.0 360.0 -86.0 18.6 -26.7 31.0 7.1 1167 289 D R < 0 0 115 -3,-0.7 -3,-0.1 -5,-0.1 -4,-0.1 -0.666 360.0 360.0 150.0 360.0 -28.3 34.2 8.5