==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-JUL-06 2HK9 . COMPND 2 MOLECULE: SHIKIMATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR J.H.GAN,P.PRABAKARAN,Y.J.GU,M.ANDRYKOVITCH,Y.LI,H.H.LIU, . 1068 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45517.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 768 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 159 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 3.7 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 . 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 . 3 0.3 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 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 313 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.0 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 1 0 4 2 5 4 6 3 5 3 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 7 12 4 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 PARALLEL BRIDGES PER LADDER . 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 8 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 0 134 0, 0.0 2,-0.3 0, 0.0 292,-0.1 0.000 360.0 360.0 360.0 158.8 43.8 67.5 36.1 2 2 A I + 0 0 34 290,-0.1 2,-0.2 291,-0.1 294,-0.1 -0.578 360.0 155.7 -76.9 128.4 44.0 70.6 38.4 3 3 A N > - 0 0 49 -2,-0.3 3,-1.8 289,-0.1 307,-0.4 -0.803 60.9 -75.3-141.0-175.6 42.1 73.6 37.0 4 4 A A T 3 S+ 0 0 5 285,-0.6 285,-0.1 1,-0.3 282,-0.1 0.521 129.0 54.1 -61.3 -5.4 40.5 76.8 38.1 5 5 A Q T 3 S+ 0 0 84 284,-0.1 -1,-0.3 283,-0.1 30,-0.1 0.599 76.1 120.1-104.2 -17.5 37.6 74.7 39.4 6 6 A T < - 0 0 7 -3,-1.8 304,-0.4 30,-0.1 30,-0.3 -0.279 54.6-144.5 -54.8 124.2 39.7 72.4 41.6 7 7 A Q E -a 36 0A 67 28,-2.2 30,-1.7 302,-0.1 2,-0.4 -0.354 9.6-125.1 -86.3 168.9 38.5 72.7 45.2 8 8 A L E +a 37 0A 7 51,-0.3 53,-2.2 28,-0.2 54,-0.8 -0.951 28.1 166.0-126.5 137.3 40.6 72.6 48.4 9 9 A Y E +ab 38 62A 8 28,-2.4 30,-2.6 -2,-0.4 2,-0.3 -0.894 17.0 154.1-134.7 163.4 40.5 70.5 51.5 10 10 A G E -ab 39 63A 0 52,-1.1 54,-2.8 -2,-0.3 2,-0.4 -0.995 38.3-103.8-175.2 179.4 43.2 70.0 54.2 11 11 A V E -ab 40 64A 5 28,-1.9 30,-2.9 -2,-0.3 2,-0.4 -0.980 28.0-159.4-124.0 134.2 44.5 69.2 57.7 12 12 A I E +ab 41 65A 2 52,-2.2 54,-3.0 -2,-0.4 2,-0.3 -0.892 31.8 110.3-115.3 148.4 45.7 71.8 60.1 13 13 A G E -a 42 0A 0 28,-1.3 30,-1.1 -2,-0.4 3,-0.2 -0.962 61.4 -80.9 170.3 177.7 47.9 71.4 63.1 14 14 A F S S+ 0 0 87 53,-2.1 2,-0.1 1,-0.4 28,-0.1 -0.837 115.9 16.3-149.0 103.4 51.3 72.0 64.6 15 15 A P S S+ 0 0 98 0, 0.0 -1,-0.4 0, 0.0 52,-0.1 0.600 76.7 141.7 -88.4-179.9 53.1 70.0 63.6 16 16 A V > + 0 0 8 -3,-0.2 3,-2.3 -2,-0.1 -2,-0.1 0.379 40.2 103.1-152.2 -9.3 51.6 68.4 60.4 17 17 A K T 3 S+ 0 0 91 1,-0.3 257,-0.2 258,-0.1 23,-0.0 0.679 87.2 48.9 -55.8 -21.9 54.5 67.9 58.0 18 18 A H T 3 S+ 0 0 169 256,-0.1 -1,-0.3 255,-0.1 2,-0.2 0.324 83.5 127.9-100.6 5.4 54.7 64.2 58.8 19 19 A S < - 0 0 15 -3,-2.3 255,-0.5 1,-0.1 4,-0.3 -0.420 47.6-159.2 -67.5 134.9 50.9 63.6 58.4 20 20 A L S > S+ 0 0 21 1,-0.2 4,-1.7 -2,-0.2 3,-0.3 0.469 71.2 96.3 -90.4 -3.7 49.8 60.8 56.1 21 21 A S H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.863 79.5 52.0 -56.2 -42.7 46.4 62.3 55.7 22 22 A P H > S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.889 106.7 56.3 -63.7 -35.9 47.2 64.1 52.4 23 23 A V H > S+ 0 0 26 -3,-0.3 4,-0.7 -4,-0.3 -2,-0.2 0.955 118.7 28.0 -61.2 -52.8 48.5 60.9 50.9 24 24 A F H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.758 115.4 61.5 -83.8 -23.3 45.4 58.8 51.4 25 25 A Q H X S+ 0 0 1 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.789 104.6 49.4 -70.7 -28.5 42.9 61.6 51.2 26 26 A N H X S+ 0 0 24 -4,-1.4 4,-2.9 -5,-0.2 -1,-0.2 0.808 108.4 53.1 -79.6 -26.4 43.9 62.4 47.7 27 27 A A H X S+ 0 0 21 -4,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.866 107.6 52.0 -72.5 -34.2 43.5 58.7 46.9 28 28 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.959 112.1 45.6 -63.6 -47.9 40.0 59.0 48.3 29 29 A I H X>S+ 0 0 11 -4,-2.0 5,-1.8 1,-0.2 4,-1.1 0.915 110.5 53.0 -59.7 -46.0 39.5 62.0 46.0 30 30 A R H <5S+ 0 0 225 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.881 110.8 49.4 -58.0 -37.1 41.0 60.1 43.0 31 31 A Y H <5S+ 0 0 124 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.914 112.1 43.8 -69.8 -47.0 38.6 57.3 43.7 32 32 A A H <5S- 0 0 36 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.611 109.8-126.3 -74.8 -8.5 35.4 59.3 44.0 33 33 A G T <5 + 0 0 62 -4,-1.1 -3,-0.2 -5,-0.2 2,-0.2 0.861 50.9 161.2 67.5 36.3 36.6 61.2 40.9 34 34 A L < - 0 0 62 -5,-1.8 2,-1.1 -6,-0.1 -1,-0.2 -0.531 47.3-124.8 -87.4 156.4 36.3 64.7 42.5 35 35 A N S S+ 0 0 58 -2,-0.2 -28,-2.2 -30,-0.1 2,-0.3 -0.750 74.7 98.0-100.7 82.1 38.1 67.7 41.1 36 36 A A E -a 7 0A 11 -2,-1.1 2,-0.3 -30,-0.3 -28,-0.2 -0.967 55.9-142.8-158.0 167.8 39.8 68.6 44.4 37 37 A V E -a 8 0A 6 -30,-1.7 -28,-2.4 -2,-0.3 2,-0.5 -0.976 10.3-142.7-138.5 153.7 43.1 68.4 46.4 38 38 A Y E +a 9 0A 1 -2,-0.3 -28,-0.3 -16,-0.2 2,-0.2 -0.969 25.3 177.2-121.8 119.5 43.9 67.8 50.0 39 39 A L E -a 10 0A 1 -30,-2.6 -28,-1.9 -2,-0.5 2,-0.4 -0.611 27.7-118.8-115.1 176.3 46.9 69.7 51.6 40 40 A A E -a 11 0A 10 236,-0.4 2,-0.5 233,-0.3 -28,-0.2 -0.958 23.0-163.2-115.9 132.6 48.5 70.0 55.0 41 41 A F E -a 12 0A 5 -30,-2.9 -28,-1.3 -2,-0.4 2,-0.9 -0.972 7.6-155.0-120.1 121.6 48.7 73.5 56.6 42 42 A E E -a 13 0A 49 -2,-0.5 2,-0.5 286,-0.3 -28,-0.2 -0.843 20.6-175.9 -94.6 107.5 51.1 74.1 59.5 43 43 A I - 0 0 0 -30,-1.1 285,-0.1 -2,-0.9 5,-0.1 -0.896 30.1-113.3-108.8 134.8 49.6 77.0 61.4 44 44 A N > - 0 0 56 -2,-0.5 3,-3.2 283,-0.3 -30,-0.0 -0.410 32.9-114.7 -61.0 136.1 51.4 78.6 64.4 45 45 A P G > S+ 0 0 53 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.708 115.7 53.5 -45.4 -28.3 49.4 77.9 67.6 46 46 A E G 3 S+ 0 0 187 1,-0.2 4,-0.2 2,-0.1 3,-0.1 0.368 100.3 64.5 -92.4 7.2 48.7 81.6 68.0 47 47 A E G <> + 0 0 52 -3,-3.2 4,-1.9 1,-0.1 -1,-0.2 0.064 59.9 114.9-118.7 28.3 47.2 81.9 64.5 48 48 A L H <> S+ 0 0 2 -3,-0.5 4,-3.4 1,-0.2 5,-0.2 0.951 80.3 45.0 -59.4 -54.9 44.2 79.7 64.5 49 49 A K H > S+ 0 0 142 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 112.5 50.7 -58.7 -43.6 41.6 82.5 64.0 50 50 A K H > S+ 0 0 58 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.881 115.8 43.7 -63.5 -37.2 43.6 84.2 61.3 51 51 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.920 111.9 52.3 -73.6 -44.1 43.8 80.8 59.5 52 52 A F H X S+ 0 0 3 -4,-3.4 4,-1.1 1,-0.3 -2,-0.2 0.883 109.6 48.8 -59.4 -42.0 40.2 79.9 60.1 53 53 A E H X S+ 0 0 35 -4,-2.5 4,-2.3 1,-0.2 -1,-0.3 0.795 107.2 59.5 -67.8 -27.6 39.0 83.2 58.6 54 54 A G H X S+ 0 0 0 -4,-0.9 4,-3.5 -5,-0.2 5,-0.2 0.943 100.7 52.0 -65.2 -48.5 41.3 82.4 55.7 55 55 A F H X>S+ 0 0 0 -4,-2.0 5,-2.4 1,-0.2 4,-0.5 0.797 112.1 47.0 -58.7 -32.7 39.6 79.1 54.9 56 56 A K H <5S+ 0 0 71 -4,-1.1 3,-0.4 3,-0.2 -1,-0.2 0.911 113.8 47.1 -75.6 -42.4 36.3 80.9 54.8 57 57 A A H <5S+ 0 0 0 -4,-2.3 257,-0.3 1,-0.2 -2,-0.2 0.907 117.2 44.1 -63.5 -40.7 37.7 83.8 52.7 58 58 A L H <5S- 0 0 7 -4,-3.5 254,-0.3 -5,-0.1 -1,-0.2 0.579 108.7-126.7 -81.2 -9.5 39.3 81.2 50.4 59 59 A K T <5 - 0 0 44 -4,-0.5 -51,-0.3 -3,-0.4 -3,-0.2 0.822 36.6-176.4 67.5 32.6 36.1 79.0 50.3 60 60 A V < - 0 0 3 -5,-2.4 -51,-0.2 -6,-0.2 -1,-0.2 -0.338 22.7-139.5 -57.6 141.8 38.0 75.8 51.3 61 61 A K - 0 0 76 -53,-2.2 34,-2.3 1,-0.3 2,-0.3 0.863 67.0 -25.5 -76.5 -37.9 35.4 73.0 51.3 62 62 A G E -bC 9 94A 0 -54,-0.8 -52,-1.1 32,-0.2 2,-0.3 -0.979 53.7-157.9-170.5 162.5 36.5 71.2 54.4 63 63 A I E -bC 10 93A 0 30,-2.0 30,-2.8 -2,-0.3 2,-0.3 -0.976 15.4-133.8-148.0 157.0 39.4 70.5 56.8 64 64 A N E -bC 11 92A 5 -54,-2.8 -52,-2.2 -2,-0.3 2,-0.5 -0.833 24.7-140.4-107.7 150.7 40.6 68.0 59.4 65 65 A V E +b 12 0A 4 26,-1.4 2,-0.2 -2,-0.3 -52,-0.2 -0.961 21.8 177.5-119.8 125.2 41.9 69.4 62.7 66 66 A T > - 0 0 48 -54,-3.0 3,-2.0 -2,-0.5 4,-0.3 -0.555 41.2 -20.4-113.2-178.9 44.9 67.8 64.5 67 67 A V T 3 S+ 0 0 92 1,-0.3 -53,-2.1 -2,-0.2 -1,-0.2 -0.327 118.5 21.4 -59.3 145.8 46.6 68.8 67.7 68 68 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 -0.695 121.1 51.4-108.6 44.0 46.7 71.4 69.1 69 69 A F S <> S+ 0 0 0 -3,-2.0 4,-2.0 -57,-0.2 5,-0.2 0.432 70.7 103.6-115.1 -1.3 43.4 72.9 67.7 70 70 A K T 4 S+ 0 0 24 -4,-0.3 20,-2.6 1,-0.2 -1,-0.1 0.709 99.0 24.6 -56.2 -23.1 40.9 70.1 68.3 71 71 A E T >4 S+ 0 0 99 18,-0.2 3,-1.1 -3,-0.1 -1,-0.2 0.753 116.6 60.9-108.5 -39.9 39.4 72.0 71.3 72 72 A E T 34 S+ 0 0 94 -4,-0.3 4,-0.4 1,-0.2 -2,-0.2 0.731 99.1 59.9 -61.2 -22.7 40.3 75.6 70.5 73 73 A I T >X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 3,-0.7 0.730 82.8 79.8 -82.3 -19.8 38.3 75.4 67.2 74 74 A I G X4 S+ 0 0 47 -3,-1.1 3,-1.2 1,-0.3 -1,-0.2 0.915 91.7 50.4 -54.4 -47.2 35.0 74.7 68.8 75 75 A P G 34 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.804 107.8 55.1 -63.5 -26.1 34.3 78.3 69.8 76 76 A L G <4 S+ 0 0 55 -3,-0.7 -2,-0.2 -4,-0.4 2,-0.1 0.629 93.8 93.0 -81.1 -13.1 35.2 79.5 66.3 77 77 A L << - 0 0 17 -3,-1.2 3,-0.1 -4,-0.9 24,-0.1 -0.402 66.7-144.8 -84.0 157.8 32.6 77.2 64.7 78 78 A D S S+ 0 0 64 22,-1.8 2,-0.4 1,-0.3 23,-0.2 0.932 86.4 11.4 -81.9 -54.1 29.0 77.9 63.8 79 79 A Y E -d 101 0A 37 21,-1.8 23,-3.5 771,-0.0 2,-0.5 -0.994 63.2-162.9-133.1 133.8 27.5 74.5 64.6 80 80 A V E -d 102 0A 27 -2,-0.4 23,-0.2 21,-0.2 5,-0.1 -0.963 27.5-117.2-116.4 129.1 29.0 71.5 66.4 81 81 A E > - 0 0 54 21,-2.8 4,-2.1 -2,-0.5 5,-0.2 -0.177 28.2-104.2 -64.5 156.5 27.5 68.0 66.1 82 82 A D H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.906 117.5 38.5 -41.8 -67.9 26.0 66.1 69.0 83 83 A T H > S+ 0 0 6 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.906 112.6 56.6 -55.8 -48.0 28.8 63.6 69.6 84 84 A A H >>S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-1.3 0.872 109.5 49.6 -53.6 -35.7 31.6 66.1 68.9 85 85 A K H <5S+ 0 0 152 -4,-2.1 -2,-0.2 -3,-0.4 -1,-0.2 0.943 110.7 46.6 -68.0 -49.5 29.9 68.2 71.7 86 86 A E H <5S+ 0 0 46 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.915 117.3 44.7 -58.9 -44.8 29.8 65.3 74.2 87 87 A I H <5S- 0 0 0 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.902 101.7-137.5 -66.5 -44.3 33.4 64.4 73.4 88 88 A G T <5 + 0 0 14 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.777 68.7 88.3 89.4 28.9 34.6 68.0 73.5 89 89 A A < - 0 0 0 -5,-1.3 2,-0.4 -16,-0.1 -18,-0.2 -0.929 56.7-154.1-161.5 135.7 36.8 67.9 70.4 90 90 A V + 0 0 0 -20,-2.6 14,-0.2 -2,-0.3 -17,-0.2 -0.932 16.6 169.3-113.5 129.8 36.3 68.5 66.7 91 91 A N + 0 0 2 12,-1.8 -26,-1.4 -2,-0.4 2,-0.3 0.286 67.4 48.7-121.5 7.8 38.6 66.8 64.2 92 92 A T E -CE 64 103A 0 11,-1.6 11,-2.5 -28,-0.3 2,-0.4 -0.995 58.7-169.5-150.0 140.6 36.6 67.6 61.0 93 93 A V E -CE 63 102A 0 -30,-2.8 -30,-2.0 -2,-0.3 2,-0.5 -0.994 5.4-162.5-138.6 131.2 35.0 70.7 59.6 94 94 A K E -CE 62 101A 48 7,-2.2 7,-2.8 -2,-0.4 2,-0.6 -0.958 10.6-153.0-113.2 124.3 32.6 71.1 56.7 95 95 A F E + E 0 100A 24 -34,-2.3 2,-0.3 -2,-0.5 5,-0.2 -0.878 29.1 155.2 -99.0 123.3 32.2 74.6 55.2 96 96 A E E > - E 0 99A 75 3,-3.1 3,-2.6 -2,-0.6 -2,-0.1 -0.988 58.2 -4.3-153.5 139.4 28.8 75.2 53.6 97 97 A N T 3 S- 0 0 54 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.828 129.1 -54.2 48.9 38.0 26.5 78.1 52.7 98 98 A G T 3 S+ 0 0 45 1,-0.3 2,-0.3 -42,-0.1 -1,-0.3 0.604 119.3 109.6 75.3 12.1 28.9 80.4 54.5 99 99 A K E < - E 0 96A 62 -3,-2.6 -3,-3.1 -21,-0.0 2,-0.5 -0.888 60.2-140.3-121.6 151.7 28.8 78.3 57.7 100 100 A A E - E 0 95A 0 -2,-0.3 -22,-1.8 -5,-0.2 -21,-1.8 -0.951 18.0-165.2-113.2 125.2 31.4 76.0 59.4 101 101 A Y E -dE 79 94A 11 -7,-2.8 -7,-2.2 -2,-0.5 2,-0.4 -0.919 8.8-142.0-113.1 134.5 30.1 72.8 60.9 102 102 A G E +dE 80 93A 1 -23,-3.5 -21,-2.8 -2,-0.4 2,-0.3 -0.761 22.6 167.0-102.2 138.3 32.1 70.6 63.4 103 103 A Y E - E 0 92A 54 -11,-2.5 -12,-1.8 -2,-0.4 -11,-1.6 -0.918 25.1-141.5-137.9 164.8 32.3 66.9 63.6 104 104 A N + 0 0 5 -2,-0.3 4,-0.2 -14,-0.2 -20,-0.1 -0.997 23.8 163.2-129.3 125.3 34.4 64.2 65.3 105 105 A T > + 0 0 5 -2,-0.4 4,-2.2 2,-0.1 5,-0.1 0.338 56.4 92.4-120.7 1.6 35.2 61.0 63.5 106 106 A D H > S+ 0 0 9 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.921 84.8 50.5 -61.4 -47.8 38.1 59.9 65.8 107 107 A W H > S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.921 113.7 44.1 -60.9 -44.8 35.9 57.8 68.1 108 108 A I H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.894 113.6 51.7 -67.7 -36.6 34.3 55.9 65.2 109 109 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.933 112.8 45.7 -62.0 -44.9 37.7 55.5 63.5 110 110 A F H X S+ 0 0 2 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.915 112.1 51.0 -62.4 -46.4 39.1 54.1 66.8 111 111 A L H X S+ 0 0 9 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.870 109.8 49.4 -62.9 -39.1 36.1 51.8 67.3 112 112 A K H X S+ 0 0 51 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.900 111.8 48.4 -68.6 -39.4 36.3 50.4 63.8 113 113 A S H X S+ 0 0 5 -4,-1.9 4,-0.8 -5,-0.2 3,-0.4 0.911 113.3 46.9 -66.5 -40.8 40.0 49.7 64.1 114 114 A L H >X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 3,-0.8 0.914 105.6 58.2 -67.6 -44.5 39.7 48.0 67.5 115 115 A K H 3< S+ 0 0 83 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.720 99.4 59.2 -60.1 -22.1 36.7 45.8 66.5 116 116 A S H 3< S+ 0 0 92 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.867 115.7 34.9 -72.3 -37.2 38.8 44.2 63.7 117 117 A L H << S+ 0 0 37 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.1 0.822 132.9 28.1 -84.4 -36.7 41.3 43.0 66.3 118 118 A I >< - 0 0 10 -4,-3.1 3,-0.7 1,-0.1 -1,-0.3 -0.853 62.2-175.7-131.9 97.0 38.7 42.3 69.0 119 119 A P T 3 S+ 0 0 108 0, 0.0 2,-0.6 0, 0.0 3,-0.2 0.869 85.5 44.8 -58.5 -40.3 35.2 41.4 67.8 120 120 A E T > + 0 0 136 1,-0.2 3,-1.0 2,-0.1 4,-0.5 -0.502 66.9 144.0-106.8 63.4 33.8 41.2 71.4 121 121 A V G X + 0 0 2 -3,-0.7 3,-0.8 -2,-0.6 -1,-0.2 0.773 60.6 72.7 -70.4 -29.4 35.2 44.4 72.9 122 122 A K G 3 S+ 0 0 69 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.656 98.8 52.3 -62.7 -10.2 32.1 45.2 74.9 123 123 A E G < S+ 0 0 115 -3,-1.0 -1,-0.3 24,-0.1 -2,-0.2 0.749 93.5 90.0 -94.8 -28.4 33.2 42.3 77.1 124 124 A K S < S- 0 0 55 -3,-0.8 24,-1.7 -4,-0.5 2,-0.4 -0.244 71.6-128.8 -73.0 156.6 36.8 43.4 77.7 125 125 A S E -f 148 0B 26 22,-0.2 57,-2.1 55,-0.1 58,-1.8 -0.892 33.7-163.4 -99.3 133.5 38.2 45.5 80.6 126 126 A I E -fg 149 183B 0 22,-3.5 24,-3.3 -2,-0.4 2,-0.5 -0.961 18.3-153.5-130.0 140.3 40.3 48.4 79.2 127 127 A L E -fg 150 184B 0 56,-2.5 58,-2.8 -2,-0.4 2,-0.4 -0.948 15.6-159.5-112.8 120.0 42.9 50.8 80.5 128 128 A V E -fg 151 185B 0 22,-3.3 24,-2.3 -2,-0.5 2,-0.6 -0.826 3.7-153.5-101.9 134.9 43.3 54.1 78.8 129 129 A L E +fg 152 186B 0 56,-2.7 58,-2.5 -2,-0.4 24,-0.2 -0.930 61.3 28.0-108.7 118.5 46.4 56.3 79.1 130 130 A G - 0 0 2 22,-3.1 22,-0.2 -2,-0.6 58,-0.1 -0.289 54.2-141.4 115.8 158.1 45.9 60.0 78.6 131 131 A A + 0 0 4 -2,-0.1 -1,-0.1 56,-0.1 2,-0.1 -0.052 60.9 110.3-145.9 33.5 43.1 62.5 79.0 132 132 A G S > S- 0 0 19 55,-0.2 4,-2.2 1,-0.0 5,-0.2 -0.236 86.8 -68.5-100.4-168.6 43.5 64.8 76.0 133 133 A G H > S+ 0 0 15 1,-0.2 4,-1.1 2,-0.2 -44,-0.0 0.858 133.8 42.5 -48.7 -45.5 41.5 65.5 72.9 134 134 A A H > S+ 0 0 22 53,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.865 110.1 59.2 -71.9 -35.1 42.2 62.1 71.3 135 135 A S H > S+ 0 0 0 52,-0.3 4,-3.1 1,-0.2 5,-0.2 0.910 101.9 52.8 -59.0 -45.6 41.7 60.3 74.7 136 136 A R H X S+ 0 0 34 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.864 107.2 50.8 -61.3 -37.5 38.1 61.6 75.0 137 137 A A H X S+ 0 0 0 -4,-1.1 4,-2.1 -5,-0.2 -1,-0.2 0.935 113.5 47.6 -65.1 -44.0 37.1 60.3 71.5 138 138 A V H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.941 112.5 46.8 -60.6 -51.4 38.6 57.0 72.5 139 139 A I H X S+ 0 0 0 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.910 109.7 55.2 -59.1 -44.5 36.8 56.8 75.9 140 140 A Y H X S+ 0 0 10 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.932 110.4 44.7 -54.3 -49.8 33.5 57.8 74.3 141 141 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.942 115.0 48.4 -60.7 -48.0 33.7 54.9 71.9 142 142 A L H X>S+ 0 0 1 -4,-2.5 5,-2.4 1,-0.2 4,-1.3 0.918 114.4 44.6 -59.2 -47.3 34.7 52.5 74.6 143 143 A V H <5S+ 0 0 26 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.902 115.2 46.9 -66.1 -43.5 32.0 53.5 77.0 144 144 A K H <5S+ 0 0 63 -4,-2.5 859,-0.4 -5,-0.3 -1,-0.2 0.745 108.9 55.1 -71.9 -23.2 29.3 53.6 74.3 145 145 A E H <5S- 0 0 46 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.827 121.1-113.4 -76.2 -28.5 30.4 50.2 73.1 146 146 A G T <5 + 0 0 46 -4,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.520 63.4 147.7 110.5 9.8 30.0 49.0 76.6 147 147 A A < - 0 0 10 -5,-2.4 2,-0.8 -6,-0.2 -1,-0.3 -0.364 54.4-111.3 -75.2 157.0 33.5 48.2 77.6 148 148 A K E -f 125 0B 97 -24,-1.7 -22,-3.5 -2,-0.1 2,-0.5 -0.821 40.4-156.6 -90.7 111.5 34.7 48.6 81.2 149 149 A V E -fh 126 168B 1 -2,-0.8 20,-2.4 18,-0.5 2,-0.4 -0.817 18.4-172.4-103.5 129.1 37.2 51.6 81.2 150 150 A F E -fh 127 169B 7 -24,-3.3 -22,-3.3 -2,-0.5 2,-0.4 -0.922 19.3-153.5-108.7 133.5 40.0 52.4 83.6 151 151 A L E +fh 128 170B 0 18,-2.2 20,-3.6 -2,-0.4 2,-0.4 -0.904 16.9 176.3-118.4 141.4 41.7 55.7 83.1 152 152 A W E +f 129 0B 42 -24,-2.3 -22,-3.1 -2,-0.4 2,-0.3 -0.993 5.0 167.8-141.0 134.1 45.1 57.0 83.9 153 153 A N - 0 0 21 18,-0.5 6,-0.1 -2,-0.4 -2,-0.0 -0.990 43.0-123.2-144.1 147.2 46.7 60.4 83.1 154 154 A R S S+ 0 0 218 -2,-0.3 2,-1.1 1,-0.2 -1,-0.1 0.938 113.4 52.5 -53.0 -49.0 49.9 62.1 84.3 155 155 A T S >> S- 0 0 77 1,-0.2 3,-0.8 -3,-0.1 4,-0.7 -0.781 78.1-169.4 -90.1 97.6 47.7 65.0 85.4 156 156 A K H >> S+ 0 0 79 -2,-1.1 4,-2.5 1,-0.2 3,-1.3 0.858 81.0 61.5 -57.7 -39.2 45.2 63.1 87.6 157 157 A E H 3> S+ 0 0 95 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.855 97.2 60.0 -57.3 -35.4 42.8 66.0 88.0 158 158 A K H <> S+ 0 0 96 -3,-0.8 4,-0.7 1,-0.2 -1,-0.3 0.780 110.3 42.0 -64.3 -26.1 42.4 66.0 84.2 159 159 A A H < S+ 0 0 121 -4,-1.5 3,-1.8 -5,-0.2 -1,-0.3 0.915 105.8 52.9 -70.8 -39.8 36.9 65.5 85.5 162 162 A L H >X S+ 0 0 7 -4,-0.7 4,-2.2 -3,-0.3 3,-1.6 0.802 98.7 67.5 -63.2 -26.8 36.4 63.1 82.7 163 163 A A T 3< S+ 0 0 37 -4,-1.9 5,-0.3 1,-0.3 -1,-0.3 0.631 93.6 58.1 -68.5 -13.6 35.0 60.7 85.3 164 164 A Q T <4 S+ 0 0 138 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.358 112.4 38.1 -97.6 3.5 32.1 63.0 85.7 165 165 A K T <4 S+ 0 0 101 -3,-1.6 -2,-0.2 1,-0.4 -3,-0.1 0.626 121.9 34.9-118.7 -35.5 31.0 62.8 82.1 166 166 A F S < S- 0 0 3 -4,-2.2 2,-1.1 2,-0.1 -1,-0.4 -0.937 86.7-107.2-125.7 146.9 31.8 59.1 81.3 167 167 A P + 0 0 99 0, 0.0 -18,-0.5 0, 0.0 2,-0.3 -0.589 67.2 126.1 -74.2 97.9 31.5 56.0 83.4 168 168 A L E -h 149 0B 27 -2,-1.1 2,-0.7 -5,-0.3 -18,-0.2 -0.986 59.4-116.3-151.5 161.7 35.1 55.0 84.2 169 169 A E E -h 150 0B 91 -20,-2.4 -18,-2.2 -2,-0.3 2,-0.1 -0.883 30.1-142.1-104.5 109.9 37.4 54.2 87.0 170 170 A V E -h 151 0B 33 -2,-0.7 2,-0.4 -20,-0.2 -18,-0.2 -0.425 18.3-153.6 -69.7 143.7 40.3 56.7 87.4 171 171 A V - 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0 0 2 22,-2.8 22,-0.2 -2,-0.5 58,-0.1 -0.089 55.3-142.3 107.6 151.6 41.3 101.2 28.7 401 131 B A + 0 0 1 -2,-0.1 -1,-0.1 56,-0.1 31,-0.1 0.115 59.5 113.1-137.4 21.7 42.9 102.7 31.7 402 132 B G S > S- 0 0 23 55,-0.3 4,-2.4 3,-0.0 5,-0.2 0.057 89.4 -67.8 -81.2-164.8 42.7 100.0 34.3 403 133 B G H > S+ 0 0 12 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.914 134.5 50.0 -52.3 -48.5 45.5 97.9 35.9 404 134 B A H > S+ 0 0 27 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.942 109.5 50.6 -56.4 -51.2 46.3 96.2 32.7 405 135 B S H > S+ 0 0 0 52,-0.4 4,-3.1 1,-0.2 5,-0.3 0.915 105.6 57.5 -54.0 -45.8 46.5 99.4 30.7 406 136 B R H X S+ 0 0 47 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.903 111.0 42.7 -51.0 -46.4 48.8 100.8 33.4 407 137 B A H X S+ 0 0 0 -4,-1.8 4,-2.1 -3,-0.3 -2,-0.2 0.948 114.3 49.4 -66.7 -50.8 51.2 97.9 32.8 408 138 B V H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.863 112.3 48.4 -57.9 -39.1 50.9 98.1 29.0 409 139 B I H X S+ 0 0 0 -4,-3.1 4,-3.2 -5,-0.2 5,-0.3 0.963 108.4 52.8 -67.5 -50.1 51.5 101.8 28.9 410 140 B Y H X S+ 0 0 28 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.888 111.9 48.2 -50.4 -43.3 54.6 101.6 31.1 411 141 B A H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -1,-0.3 0.901 112.0 47.3 -66.5 -42.7 55.9 99.0 28.7 412 142 B L H <>S+ 0 0 1 -4,-2.1 5,-2.2 2,-0.2 -2,-0.2 0.912 114.5 46.3 -68.3 -40.1 55.2 101.0 25.6 413 143 B V H ><5S+ 0 0 43 -4,-3.2 3,-2.5 1,-0.2 -2,-0.2 0.941 108.1 55.3 -65.3 -48.5 56.7 104.2 27.0 414 144 B K H 3<5S+ 0 0 114 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.817 111.4 47.1 -53.4 -31.7 59.8 102.4 28.3 415 145 B E T 3<5S- 0 0 68 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.331 117.5-114.8 -94.9 5.8 60.3 101.2 24.7 416 146 B G T < 5 + 0 0 39 -3,-2.5 -23,-3.5 1,-0.2 2,-0.3 0.801 60.9 146.1 69.1 35.1 59.7 104.6 23.2 417 147 B A < - 0 0 7 -5,-2.2 2,-0.6 -25,-0.3 -1,-0.2 -0.767 54.5-110.2 -99.4 148.9 56.5 104.2 21.2 418 148 B K E -p 395 0D 93 -24,-2.5 -22,-2.5 -2,-0.3 2,-0.4 -0.686 38.3-149.9 -80.2 123.5 54.1 107.2 20.9 419 149 B V E -pr 396 438D 1 18,-0.6 20,-2.1 -2,-0.6 2,-0.4 -0.777 19.2-172.5-103.6 135.4 51.0 106.4 22.8 420 150 B F E -pr 397 439D 0 -24,-2.5 -22,-2.8 -2,-0.4 2,-0.4 -0.970 19.5-157.3-114.3 133.1 47.4 107.5 22.2 421 151 B L E +pr 398 440D 0 18,-2.0 20,-2.5 -2,-0.4 2,-0.3 -0.957 15.7 176.4-125.1 133.4 45.1 106.6 25.1 422 152 B W E +p 399 0D 39 -24,-2.8 -22,-2.8 -2,-0.4 2,-0.3 -0.964 5.8 172.4-128.2 145.5 41.3 106.2 25.1 423 153 B N - 0 0 18 18,-0.4 3,-0.2 -2,-0.3 6,-0.0 -0.991 43.4-116.9-152.5 148.5 39.1 105.1 28.0 424 154 B R S S+ 0 0 132 -2,-0.3 2,-1.0 1,-0.3 -1,-0.2 0.962 115.3 43.1 -45.7 -60.9 35.3 104.8 28.6 425 155 B T S >> S- 0 0 64 1,-0.2 3,-1.4 -3,-0.1 4,-0.9 -0.775 77.8-158.6 -93.4 99.0 35.7 107.4 31.5 426 156 B K H 3> S+ 0 0 82 -2,-1.0 4,-1.5 1,-0.3 -1,-0.2 0.679 84.3 76.7 -47.6 -23.0 38.1 110.1 30.1 427 157 B E H 3> S+ 0 0 127 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.935 95.3 43.1 -55.5 -54.0 38.8 111.0 33.7 428 158 B K H <> S+ 0 0 78 -3,-1.4 4,-2.1 1,-0.2 5,-0.2 0.883 110.0 56.0 -62.1 -42.5 41.1 108.0 34.3 429 159 B A H X S+ 0 0 0 -4,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.827 106.9 51.7 -60.3 -32.6 42.9 108.4 31.0 430 160 B I H X S+ 0 0 67 -4,-1.5 4,-1.0 -3,-0.3 -1,-0.2 0.860 105.5 55.5 -72.7 -35.8 43.7 112.0 32.0 431 161 B K H >< S+ 0 0 117 -4,-1.4 3,-1.6 2,-0.2 -2,-0.2 0.992 113.3 39.6 -58.4 -61.9 45.1 110.8 35.3 432 162 B L H >X S+ 0 0 7 -4,-2.1 4,-2.6 1,-0.3 3,-1.7 0.922 106.7 65.9 -52.1 -49.9 47.6 108.4 33.6 433 163 B A H 3< S+ 0 0 26 -4,-2.3 5,-0.5 1,-0.3 -1,-0.3 0.728 98.0 55.1 -46.2 -27.8 48.3 111.0 30.9 434 164 B Q T << S+ 0 0 170 -3,-1.6 -1,-0.3 -4,-1.0 -2,-0.1 -0.149 116.9 34.7-102.7 38.9 49.9 113.3 33.5 435 165 B K T <4 S+ 0 0 108 -3,-1.7 -2,-0.2 1,-0.4 -1,-0.1 0.247 119.2 49.3-153.6 -33.6 52.3 110.6 34.7 436 166 B F S < S- 0 0 8 -4,-2.6 2,-1.6 2,-0.0 -1,-0.4 -0.947 90.0-109.8-121.1 139.4 53.0 108.8 31.4 437 167 B P S S+ 0 0 95 0, 0.0 -18,-0.6 0, 0.0 2,-0.3 -0.474 73.2 119.5 -68.0 91.0 54.0 110.4 28.0 438 168 B L E -r 419 0D 28 -2,-1.6 2,-0.5 -5,-0.5 -18,-0.2 -0.930 60.7-120.7-148.0 171.6 50.7 109.8 26.1 439 169 B E E -r 420 0D 67 -20,-2.1 -18,-2.0 -2,-0.3 2,-0.1 -0.909 23.6-145.4-125.0 105.3 47.9 111.6 24.4 440 170 B V E -r 421 0D 31 -2,-0.5 2,-0.3 -20,-0.2 -18,-0.2 -0.364 17.2-162.2 -68.0 143.0 44.3 111.1 25.6 441 171 B V - 0 0 4 -20,-2.5 -18,-0.4 1,-0.1 -12,-0.1 -0.939 26.1-138.4-128.9 150.1 41.6 111.1 23.0 442 172 B N S S+ 0 0 119 -2,-0.3 -1,-0.1 1,-0.2 -16,-0.1 0.780 93.5 20.5 -75.0 -25.4 37.8 111.5 23.2 443 173 B S >> - 0 0 41 1,-0.1 3,-1.6 -3,-0.0 4,-0.6 -0.987 64.1-137.8-149.2 135.7 37.3 108.7 20.7 444 174 B P H >> S+ 0 0 5 0, 0.0 3,-1.1 0, 0.0 4,-0.9 0.908 106.3 63.6 -53.6 -43.9 39.3 105.8 19.4 445 175 B E H 34 S+ 0 0 87 1,-0.3 4,-0.4 2,-0.2 3,-0.3 0.757 87.5 74.4 -53.0 -27.1 38.1 106.6 15.9 446 176 B E H <4 S+ 0 0 124 -3,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.923 111.3 21.5 -54.7 -49.1 40.0 109.9 16.1 447 177 B V H XX S+ 0 0 1 -3,-1.1 3,-2.6 -4,-0.6 4,-1.1 0.357 89.0 114.3-103.3 5.4 43.4 108.4 15.7 448 178 B I G >< S+ 0 0 3 -4,-0.9 3,-0.5 -3,-0.3 28,-0.2 0.850 86.2 36.5 -42.9 -49.5 42.5 105.1 14.0 449 179 B D G 34 S+ 0 0 96 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.323 114.5 59.1 -90.5 9.7 44.2 106.0 10.7 450 180 B K G <4 S+ 0 0 112 -3,-2.6 2,-0.3 0, 0.0 -2,-0.2 0.470 98.4 67.7-111.6 -9.3 47.0 107.7 12.5 451 181 B V << - 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0 0 18 -3,-2.3 24,-0.1 1,-0.1 3,-0.1 -0.514 65.4-129.9 -67.3 123.9 29.4 92.7 24.2 467 197 B P - 0 0 15 0, 0.0 2,-0.1 0, 0.0 216,-0.1 -0.055 37.6 -69.8 -67.1 176.0 29.0 95.2 21.4 468 198 B E - 0 0 43 1,-0.1 3,-0.1 215,-0.1 -7,-0.0 -0.415 29.5-138.2 -70.4 140.9 32.0 96.9 19.7 469 199 B I S S- 0 0 34 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.734 86.2 -19.1 -68.7 -21.7 34.0 99.4 21.6 470 200 B F S S- 0 0 14 -26,-0.1 2,-1.7 -27,-0.1 -1,-0.1 -0.940 102.6 -46.4-166.0-175.9 34.0 101.4 18.4 471 201 B N > - 0 0 65 -2,-0.3 3,-2.2 1,-0.2 4,-0.2 -0.480 49.1-176.2 -71.3 88.2 33.5 101.2 14.7 472 202 B Y G > S+ 0 0 6 -2,-1.7 3,-1.8 1,-0.3 -1,-0.2 0.699 73.4 79.1 -57.5 -21.6 35.6 98.1 14.0 473 203 B D G 3 S+ 0 0 105 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.706 83.9 67.3 -61.7 -16.2 34.9 98.6 10.3 474 204 B L G < + 0 0 50 -3,-2.2 2,-0.4 2,-0.0 -1,-0.3 0.619 67.6 112.7 -79.8 -17.2 37.6 101.2 10.4 475 205 B I < - 0 0 3 -3,-1.8 25,-0.1 -4,-0.2 -26,-0.1 -0.450 63.8-139.2 -62.9 117.3 40.5 98.9 11.1 476 206 B K - 0 0 91 -2,-0.4 22,-0.1 -28,-0.2 24,-0.1 -0.056 22.1-105.8 -67.4 177.2 42.7 99.0 8.0 477 207 B K S S+ 0 0 148 1,-0.2 24,-0.2 22,-0.1 -1,-0.1 0.651 117.4 50.2 -80.6 -15.3 44.4 95.9 6.5 478 208 B D S S+ 0 0 134 22,-0.2 23,-0.4 2,-0.1 -1,-0.2 0.851 81.3 107.0 -91.1 -41.1 47.7 97.0 7.9 479 209 B H - 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0 0 53 -3,-0.9 24,-2.6 -4,-0.3 2,-0.4 -0.205 67.3-130.2 -81.7 169.2 18.6 103.2 13.6 663 125 C S E -z 686 0F 26 22,-0.2 57,-2.3 55,-0.1 58,-1.4 -0.935 32.7-159.8-111.8 136.8 16.8 105.8 15.6 664 126 C I E -za 687 721F 0 22,-3.2 24,-2.7 -2,-0.4 2,-0.6 -0.972 18.3-145.6-133.3 138.5 14.6 104.2 18.3 665 127 C L E -za 688 722F 0 56,-3.2 58,-3.3 -2,-0.4 2,-0.5 -0.874 19.8-162.4-100.1 117.4 11.6 105.3 20.4 666 128 C V E -za 689 723F 0 22,-3.3 24,-2.9 -2,-0.6 2,-0.6 -0.859 2.8-156.1-101.1 133.3 11.6 103.8 23.8 667 129 C L E +za 690 724F 0 56,-2.8 58,-2.7 -2,-0.5 24,-0.2 -0.936 58.4 22.4-111.0 121.0 8.4 103.8 25.8 668 130 C G - 0 0 1 22,-3.4 22,-0.2 -2,-0.6 23,-0.1 0.022 52.3-143.2 105.9 146.9 8.7 103.5 29.6 669 131 C A + 0 0 4 20,-0.1 -1,-0.1 -2,-0.0 22,-0.1 -0.037 58.6 114.6-135.1 31.7 11.4 104.3 32.2 670 132 C G S >> S- 0 0 33 55,-0.2 4,-1.2 1,-0.0 3,-0.6 -0.074 87.7 -70.3 -87.4-164.8 11.0 101.6 34.7 671 133 C G H 3> S+ 0 0 14 1,-0.2 4,-0.7 2,-0.2 3,-0.1 0.831 133.7 49.5 -58.4 -36.1 13.4 98.8 35.6 672 134 C A H 3> S+ 0 0 26 53,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.748 103.5 61.6 -75.7 -23.2 12.9 96.9 32.3 673 135 C S H <> S+ 0 0 0 -3,-0.6 4,-2.6 1,-0.2 5,-0.2 0.851 96.5 61.3 -69.2 -33.5 13.5 100.2 30.4 674 136 C R H X S+ 0 0 40 -4,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.847 104.3 44.2 -63.2 -40.6 17.0 100.5 31.8 675 137 C A H X S+ 0 0 1 -4,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.856 114.9 50.7 -74.4 -33.0 18.4 97.2 30.4 676 138 C V H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.935 114.0 43.4 -66.7 -48.0 16.7 97.9 27.0 677 139 C I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.904 112.4 54.2 -64.3 -42.8 18.2 101.5 26.9 678 140 C Y H X S+ 0 0 14 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.949 111.0 44.9 -57.8 -48.8 21.5 100.2 28.1 679 141 C A H X S+ 0 0 1 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.817 113.9 49.5 -66.2 -31.0 21.7 97.6 25.3 680 142 C L H X>S+ 0 0 0 -4,-1.9 5,-1.8 2,-0.2 4,-0.6 0.877 112.1 47.1 -75.7 -37.8 20.6 100.1 22.6 681 143 C V H ><5S+ 0 0 30 -4,-2.6 3,-0.9 2,-0.2 -2,-0.2 0.925 112.6 47.9 -69.0 -47.1 23.1 102.7 23.6 682 144 C K H 3<5S+ 0 0 73 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.765 110.0 55.7 -65.2 -24.9 26.0 100.3 23.7 683 145 C E H 3<5S- 0 0 12 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.655 118.1-113.3 -81.0 -18.1 24.9 99.0 20.3 684 146 C G T <<5 + 0 0 49 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.378 65.6 143.3 102.8 -4.5 25.1 102.5 18.8 685 147 C A < - 0 0 10 -5,-1.8 2,-0.5 1,-0.1 -1,-0.3 -0.310 53.5-116.8 -67.2 153.2 21.4 103.1 18.2 686 148 C K E -z 663 0F 131 -24,-2.6 -22,-3.2 20,-0.0 2,-0.5 -0.806 35.5-147.7 -92.6 132.5 20.1 106.7 18.7 687 149 C V E -z 664 0F 4 -2,-0.5 20,-2.2 18,-0.5 2,-0.4 -0.889 24.5-178.1-121.1 135.7 17.4 106.9 21.4 688 150 C F E -zb 665 707F 7 -24,-2.7 -22,-3.3 -2,-0.5 2,-0.4 -0.957 22.9-156.7-114.1 130.0 14.4 108.9 22.1 689 151 C L E -zb 666 708F 0 18,-2.5 20,-3.4 -2,-0.4 2,-0.4 -0.935 13.3-178.0-121.4 137.2 12.7 108.1 25.4 690 152 C W E +zb 667 709F 40 -24,-2.9 -22,-3.4 -2,-0.4 2,-0.3 -0.958 6.1 167.8-127.6 148.1 9.1 108.6 26.5 691 153 C N - 0 0 20 18,-0.5 6,-0.1 -2,-0.4 5,-0.0 -0.965 43.6-120.9-158.3 140.6 7.4 107.9 29.8 692 154 C R S S+ 0 0 217 -2,-0.3 2,-1.0 1,-0.2 -1,-0.1 0.934 113.7 48.8 -44.7 -53.4 4.1 108.8 31.4 693 155 C T S >> S- 0 0 54 1,-0.2 3,-0.9 -3,-0.1 4,-0.8 -0.798 78.0-165.0 -92.7 102.5 6.0 110.4 34.3 694 156 C K H >> S+ 0 0 86 -2,-1.0 4,-2.4 1,-0.2 3,-0.9 0.834 82.3 65.1 -57.2 -36.5 8.6 112.6 32.4 695 157 C E H 3> S+ 0 0 116 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.875 98.8 54.4 -55.8 -39.0 10.7 113.1 35.5 696 158 C K H <> S+ 0 0 107 -3,-0.9 4,-1.0 1,-0.2 -1,-0.3 0.783 110.0 45.4 -67.5 -27.9 11.5 109.4 35.6 697 159 C A H < S+ 0 0 98 -4,-1.4 3,-0.6 1,-0.2 -1,-0.2 0.926 105.6 50.0 -67.9 -43.3 16.7 110.8 35.3 700 162 C L H >X S+ 0 0 5 -4,-1.0 4,-2.6 1,-0.2 3,-1.4 0.799 103.1 62.5 -64.5 -27.3 17.8 108.0 32.9 701 163 C A H 3< S+ 0 0 31 -4,-1.5 5,-0.3 1,-0.3 -1,-0.2 0.887 95.8 59.5 -64.1 -36.0 18.9 110.7 30.5 702 164 C Q T << S+ 0 0 138 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.504 116.3 33.1 -71.4 -2.6 21.4 111.8 33.1 703 165 C K T <4 S+ 0 0 133 -3,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.603 121.5 43.9-122.0 -27.9 23.0 108.3 33.0 704 166 C F S < S- 0 0 16 -4,-2.6 2,-1.1 -5,-0.1 -1,-0.3 -0.913 87.1-105.4-124.5 150.6 22.5 107.4 29.3 705 167 C P S S+ 0 0 93 0, 0.0 -18,-0.5 0, 0.0 2,-0.3 -0.594 72.4 115.8 -72.8 95.5 22.9 109.2 26.0 706 168 C L - 0 0 34 -2,-1.1 2,-0.5 -5,-0.3 -18,-0.2 -0.958 62.1-116.1-155.8 172.7 19.4 110.0 24.9 707 169 C E E -b 688 0F 93 -20,-2.2 -18,-2.5 -2,-0.3 2,-0.2 -0.976 29.0-137.0-119.8 119.0 16.7 112.6 24.2 708 170 C V E -b 689 0F 31 -2,-0.5 2,-0.3 -20,-0.2 -18,-0.2 -0.526 20.5-155.7 -74.8 141.2 13.6 112.7 26.5 709 171 C V E -b 690 0F 5 -20,-3.4 -18,-0.5 -2,-0.2 -12,-0.1 -0.900 18.9-149.2-120.0 146.1 10.3 113.2 24.6 710 172 C N S S+ 0 0 91 -2,-0.3 -1,-0.1 1,-0.3 -16,-0.1 0.712 87.7 10.0 -86.1 -19.9 7.0 114.6 25.9 711 173 C S > - 0 0 23 1,-0.1 3,-2.5 -21,-0.0 4,-0.3 -0.918 69.3-127.4-160.0 131.2 4.9 112.5 23.6 712 174 C P G >> S+ 0 0 5 0, 0.0 4,-1.5 0, 0.0 3,-1.0 0.712 106.6 65.1 -51.3 -25.0 5.7 109.5 21.3 713 175 C E G 34 S+ 0 0 95 1,-0.2 4,-0.3 2,-0.2 25,-0.0 0.666 86.8 71.3 -75.3 -15.0 4.0 111.2 18.3 714 176 C E G <4 S+ 0 0 115 -3,-2.5 -1,-0.2 1,-0.2 4,-0.0 0.663 118.8 15.2 -74.1 -16.7 6.7 114.0 18.4 715 177 C V T X4 S+ 0 0 3 -3,-1.0 3,-1.0 -4,-0.3 4,-0.5 0.428 95.3 100.9-132.0 -11.2 9.4 111.6 17.1 716 178 C I T 3< S+ 0 0 3 -4,-1.5 3,-0.3 1,-0.3 -3,-0.1 0.690 82.3 57.5 -52.7 -20.1 7.4 108.7 15.8 717 179 C D T 3 S+ 0 0 150 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.865 110.4 39.9 -80.5 -37.2 7.8 110.1 12.3 718 180 C K S < S+ 0 0 114 -3,-1.0 2,-0.3 -4,-0.0 -2,-0.2 0.220 99.6 93.0 -97.5 15.6 11.6 110.1 12.4 719 181 C V - 0 0 7 -4,-0.5 -55,-0.2 -3,-0.3 3,-0.1 -0.802 52.1-163.7-110.8 150.4 12.1 106.7 14.2 720 182 C Q S S+ 0 0 77 -57,-2.3 28,-1.6 -2,-0.3 2,-0.4 0.697 77.8 38.9 -99.5 -27.9 12.6 103.2 12.7 721 183 C V E -ac 664 748F 0 -58,-1.4 -56,-3.2 26,-0.2 2,-0.5 -0.983 59.5-161.7-130.2 136.8 11.9 101.2 15.8 722 184 C I E -ac 665 749F 0 26,-2.3 28,-2.5 -2,-0.4 2,-0.6 -0.974 13.3-172.0-117.5 121.3 9.3 101.6 18.6 723 185 C V E -ac 666 750F 0 -58,-3.3 -56,-2.8 -2,-0.5 2,-0.5 -0.921 7.7-160.5-117.5 108.7 10.0 99.6 21.8 724 186 C N E +ac 667 751F 0 26,-2.2 28,-1.7 -2,-0.6 29,-0.3 -0.762 18.3 167.0 -87.3 129.6 7.4 99.4 24.5 725 187 C T + 0 0 10 -58,-2.7 -53,-0.2 -2,-0.5 -55,-0.2 0.078 43.3 107.8-124.4 21.1 8.9 98.5 27.9 726 188 C T S S- 0 0 25 2,-0.2 27,-0.1 -59,-0.1 26,-0.1 -0.531 80.2-114.7 -96.0 165.1 5.9 99.4 30.0 727 189 C S S > S+ 0 0 81 -2,-0.2 3,-1.1 2,-0.1 2,-0.5 0.417 81.8 114.6 -78.4 2.2 3.4 97.0 31.8 728 190 C V T 3 + 0 0 46 1,-0.2 -2,-0.2 2,-0.1 25,-0.1 -0.644 65.3 44.7 -76.8 121.0 0.7 98.3 29.5 729 191 C G T 3 S+ 0 0 5 -2,-0.5 -1,-0.2 2,-0.2 29,-0.1 0.349 73.6 109.9 126.0 -1.2 -0.4 95.4 27.3 730 192 C L S < S+ 0 0 82 -3,-1.1 2,-0.5 1,-0.2 -2,-0.1 0.887 81.3 44.3 -69.2 -40.7 -0.7 92.6 29.9 731 193 C K S > S- 0 0 134 1,-0.1 3,-3.1 26,-0.0 -2,-0.2 -0.924 80.8-135.9-110.5 129.7 -4.5 92.6 29.7 732 194 C D T 3 S+ 0 0 94 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.617 106.6 62.7 -56.3 -13.4 -6.2 92.7 26.3 733 195 C E T 3 S+ 0 0 154 2,-0.1 -1,-0.3 25,-0.0 -3,-0.0 0.502 79.0 115.0 -91.4 -5.8 -8.5 95.2 27.8 734 196 C D < - 0 0 42 -3,-3.1 24,-0.1 1,-0.1 3,-0.1 -0.396 69.1-114.2 -68.8 138.8 -5.7 97.7 28.4 735 197 C P - 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.308 37.7 -87.6 -72.1 154.8 -5.8 101.0 26.6 736 198 C E - 0 0 69 1,-0.1 3,-0.1 22,-0.1 -7,-0.1 -0.235 25.0-134.2 -58.8 147.4 -3.2 102.1 23.9 737 199 C I S S- 0 0 27 1,-0.2 2,-0.3 -9,-0.1 -1,-0.1 0.634 88.6 -19.3 -78.3 -13.7 -0.1 103.8 25.3 738 200 C F S S- 0 0 20 -26,-0.1 2,-1.1 -27,-0.1 -1,-0.2 -0.928 103.4 -51.4-173.9 177.4 -0.7 106.3 22.4 739 201 C N > - 0 0 76 -2,-0.3 3,-2.1 1,-0.2 4,-0.1 -0.521 45.6-166.3 -71.2 100.5 -2.6 106.4 19.1 740 202 C Y G > S+ 0 0 4 -2,-1.1 3,-1.1 1,-0.3 -1,-0.2 0.540 79.3 78.1 -65.7 -5.3 -1.4 103.2 17.3 741 203 C D G 3 S+ 0 0 83 1,-0.2 -1,-0.3 25,-0.0 -2,-0.1 0.670 81.6 69.3 -76.3 -13.8 -2.9 104.5 14.1 742 204 C L G < S+ 0 0 77 -3,-2.1 2,-0.3 2,-0.1 -1,-0.2 0.489 78.5 102.0 -80.0 -5.2 0.3 106.7 13.9 743 205 C I < - 0 0 3 -3,-1.1 2,-0.2 -4,-0.1 -26,-0.1 -0.634 60.5-152.9 -82.8 136.3 2.4 103.6 13.3 744 206 C K > - 0 0 113 -2,-0.3 3,-0.7 1,-0.1 23,-0.1 -0.615 26.8-111.6-106.6 169.7 3.5 102.9 9.7 745 207 C K T 3 S+ 0 0 123 1,-0.2 24,-0.4 21,-0.2 -1,-0.1 0.799 114.7 62.3 -67.5 -30.1 4.4 99.7 7.8 746 208 C D T 3 S+ 0 0 110 22,-0.1 -1,-0.2 2,-0.1 23,-0.1 0.770 88.5 98.4 -67.2 -24.4 8.1 100.8 7.6 747 209 C H < - 0 0 13 -3,-0.7 22,-1.2 1,-0.1 2,-0.5 -0.124 67.8-142.9 -62.1 156.9 8.2 100.7 11.4 748 210 C V E -cd 721 769F 12 -28,-1.6 -26,-2.3 20,-0.2 2,-0.5 -0.984 22.1-163.4-122.0 113.0 9.6 97.8 13.4 749 211 C V E +cd 722 770F 0 20,-2.0 22,-1.5 -2,-0.5 2,-0.3 -0.884 12.1 173.3-106.7 128.9 7.5 97.4 16.5 750 212 C V E -cd 723 771F 4 -28,-2.5 -26,-2.2 -2,-0.5 2,-0.4 -0.960 11.6-169.8-133.6 149.3 8.6 95.4 19.5 751 213 C D E -c 724 0F 1 20,-1.9 -26,-0.2 -2,-0.3 4,-0.2 -1.000 21.2-147.0-138.9 135.4 7.3 94.8 23.0 752 214 C I S S+ 0 0 26 -28,-1.7 2,-0.5 -2,-0.4 -27,-0.1 0.626 74.8 102.2 -76.8 -12.7 9.0 93.1 25.9 753 215 C I S S- 0 0 15 -29,-0.3 2,-2.2 -27,-0.1 20,-2.0 -0.628 81.5-128.9 -71.9 119.4 5.6 91.7 27.1 754 216 C Y S S+ 0 0 68 -2,-0.5 2,-0.3 19,-0.4 -1,-0.1 -0.398 78.3 60.7 -75.6 68.4 5.8 88.1 26.0 755 217 C K S S- 0 0 61 -2,-2.2 2,-0.4 -4,-0.2 18,-0.3 -0.874 99.4 -79.3-179.7 150.7 2.5 87.8 24.1 756 218 C E - 0 0 78 -2,-0.3 2,-0.2 16,-0.1 -2,-0.1 -0.507 57.1-165.2 -66.0 118.5 0.9 89.5 21.2 757 219 C T > - 0 0 5 -2,-0.4 4,-2.4 -4,-0.1 5,-0.1 -0.552 37.2 -98.4-102.3 169.3 -0.4 92.8 22.6 758 220 C K H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.918 126.3 53.3 -49.4 -47.1 -2.9 95.4 21.2 759 221 C L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 110.4 44.7 -55.9 -48.0 0.2 97.3 20.0 760 222 C L H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.782 108.8 59.1 -69.2 -27.3 1.6 94.4 18.2 761 223 C K H X S+ 0 0 95 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.987 110.3 41.2 -62.1 -58.5 -1.8 93.6 16.7 762 224 C K H X S+ 0 0 28 -4,-2.5 4,-3.1 1,-0.2 6,-0.2 0.911 115.0 50.8 -54.6 -49.4 -2.0 97.0 15.1 763 225 C A H X>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-1.0 0.917 112.0 46.6 -57.6 -44.2 1.6 96.9 14.0 764 226 C K H <5S+ 0 0 124 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.891 112.8 53.4 -63.4 -37.9 1.1 93.5 12.4 765 227 C E H <5S+ 0 0 118 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.934 104.1 52.5 -61.0 -51.6 -2.0 95.0 10.9 766 228 C K H <5S- 0 0 73 -4,-3.1 -1,-0.2 1,-0.1 -21,-0.2 0.707 120.8-106.8 -60.2 -22.7 -0.3 98.0 9.3 767 229 C G T <5S+ 0 0 44 -4,-1.0 -3,-0.2 -3,-0.4 2,-0.1 0.498 74.2 141.5 104.2 8.3 2.2 95.6 7.7 768 230 C A < - 0 0 5 -5,-2.2 -1,-0.3 -6,-0.2 -20,-0.2 -0.469 56.5-106.7 -80.5 153.5 5.0 96.5 10.0 769 231 C K E -d 748 0F 112 -22,-1.2 -20,-2.0 -24,-0.4 2,-0.3 -0.298 43.0-167.4 -72.6 166.1 7.5 93.9 11.3 770 232 C L E -d 749 0F 53 -22,-0.2 2,-0.3 -6,-0.1 -20,-0.2 -0.998 24.9-169.5-158.9 156.0 7.2 92.8 14.9 771 233 C L E -d 750 0F 19 -22,-1.5 -20,-1.9 -2,-0.3 2,-0.0 -0.921 16.9-152.9-148.5 115.1 8.8 90.9 17.8 772 234 C D - 0 0 40 -2,-0.3 4,-0.4 -22,-0.2 -18,-0.2 -0.266 36.5 -96.8 -82.1 176.9 6.9 90.1 21.0 773 235 C G S > S+ 0 0 3 -20,-2.0 4,-1.5 -18,-0.3 -19,-0.4 0.550 98.0 92.9 -74.3 -5.5 8.7 89.7 24.3 774 236 C L H >> S+ 0 0 28 -21,-0.3 4,-2.0 2,-0.2 3,-1.0 0.945 82.2 48.3 -55.1 -61.0 9.0 85.9 24.2 775 237 C P H 3> S+ 0 0 28 0, 0.0 4,-2.4 0, 0.0 3,-0.2 0.917 112.1 52.6 -46.5 -47.9 12.4 85.3 22.6 776 238 C M H 3> S+ 0 0 14 -4,-0.4 4,-2.3 1,-0.2 5,-0.2 0.838 106.4 53.4 -56.5 -36.6 13.9 87.8 25.0 777 239 C L H X>S+ 0 0 1 -4,-2.4 4,-3.3 1,-0.2 3,-0.6 0.981 107.7 49.8 -59.0 -53.2 20.4 79.3 34.1 786 248 C K H 3X5S+ 0 0 84 -4,-2.3 4,-2.1 1,-0.3 -2,-0.2 0.841 108.1 53.4 -52.7 -39.5 24.0 79.4 33.1 787 249 C I H 3<5S+ 0 0 46 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.879 117.0 38.0 -65.4 -37.9 24.9 81.8 35.9 788 250 C W H <<5S+ 0 0 26 -4,-2.0 -2,-0.2 -3,-0.6 -1,-0.2 0.847 136.1 17.0 -81.2 -36.4 23.3 79.5 38.4 789 251 C N H <5S- 0 0 46 -4,-3.3 -3,-0.2 2,-0.2 -2,-0.2 0.669 84.2-132.7-112.9 -23.2 24.4 76.2 36.9 790 252 C G << + 0 0 53 -4,-2.1 -4,-0.2 -5,-0.5 2,-0.1 0.068 69.2 119.1 90.0 -26.8 27.2 76.8 34.5 791 253 C C - 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