==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-MAY-07 2PT5 . COMPND 2 MOLECULE: SHIKIMATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR J.JEYAKANTHAN,N.NITHYA,A.SHIMADA,D.VELMURUGAN,A.EBIHARA,A.SH . 648 6 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32148.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 503 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 37 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 296 45.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 3 0 0 6 3 4 3 1 5 2 0 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 12 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 PARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X 0 0 25 0, 0.0 71,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 135.4 34.6 28.1 53.1 2 2 A R E -a 72 0A 26 91,-0.4 93,-2.3 69,-0.2 2,-0.5 -0.955 360.0-170.7-114.7 127.5 37.6 29.1 50.9 3 3 A I E -ab 73 95A 5 69,-2.5 71,-2.8 -2,-0.5 2,-0.5 -0.967 4.2-161.6-122.5 120.9 41.1 29.0 52.4 4 4 A Y E -ab 74 96A 0 91,-3.3 93,-3.6 -2,-0.5 2,-0.5 -0.864 3.4-156.1-106.0 132.1 44.1 30.5 50.6 5 5 A L E +ab 75 97A 0 69,-2.7 71,-1.9 -2,-0.5 2,-0.3 -0.901 19.2 175.6-105.8 128.0 47.7 29.5 51.3 6 6 A I E + b 0 98A 0 91,-2.9 93,-2.1 -2,-0.5 2,-0.3 -0.909 21.9 87.5-130.5 158.0 50.3 32.1 50.4 7 7 A G S S- 0 0 0 -2,-0.3 74,-0.2 70,-0.3 93,-0.1 -0.874 73.8 -29.3 145.8-175.8 54.1 32.3 50.9 8 8 A F > - 0 0 8 91,-0.3 3,-2.0 -2,-0.3 5,-0.4 -0.279 61.8-106.0 -71.0 156.4 57.3 31.4 49.2 9 9 A X T 3 S+ 0 0 97 1,-0.3 3,-0.5 2,-0.1 5,-0.2 0.792 118.7 49.6 -48.8 -37.4 57.6 28.3 47.0 10 10 A a T 3 S+ 0 0 14 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.025 82.4 95.3 -96.3 28.4 59.5 26.3 49.6 11 11 A S S < S- 0 0 3 -3,-2.0 -1,-0.2 -4,-0.1 -2,-0.1 0.377 99.2-109.2 -99.0 6.2 57.2 27.0 52.5 12 12 A G > + 0 0 25 -3,-0.5 4,-2.8 -4,-0.1 5,-0.4 0.742 66.9 146.9 76.4 24.3 55.2 23.8 52.1 13 13 A K H > S+ 0 0 13 -5,-0.4 4,-2.4 1,-0.2 5,-0.1 0.929 73.0 46.8 -56.4 -49.5 52.0 25.4 50.8 14 14 A S H > S+ 0 0 62 -5,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.929 116.7 42.4 -60.4 -48.8 51.2 22.4 48.6 15 15 A T H > S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.944 117.2 45.1 -65.9 -49.7 51.8 19.8 51.2 16 16 A V H X S+ 0 0 1 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.886 110.7 57.6 -61.1 -37.7 50.1 21.6 54.1 17 17 A G H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.4 -1,-0.2 0.911 107.0 46.0 -59.9 -45.1 47.2 22.4 51.7 18 18 A S H X S+ 0 0 33 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.943 114.8 46.6 -63.0 -49.6 46.6 18.7 51.0 19 19 A L H X S+ 0 0 47 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.915 114.5 49.3 -58.5 -44.4 46.7 17.7 54.7 20 20 A L H X S+ 0 0 0 -4,-3.0 4,-1.3 1,-0.2 3,-0.4 0.950 109.6 49.3 -61.1 -50.3 44.5 20.7 55.5 21 21 A S H X>S+ 0 0 11 -4,-2.9 5,-2.5 1,-0.2 4,-0.6 0.826 110.3 53.6 -60.9 -30.3 41.9 19.8 52.8 22 22 A R H <5S+ 0 0 112 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.850 108.2 47.5 -73.3 -34.6 41.9 16.3 54.1 23 23 A S H <5S+ 0 0 7 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.653 118.7 41.5 -79.7 -17.0 41.2 17.2 57.7 24 24 A L H <5S- 0 0 4 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.402 107.6-123.8-107.3 -2.3 38.4 19.6 56.6 25 25 A N T <5S+ 0 0 100 -4,-0.6 -3,-0.2 1,-0.2 -4,-0.1 0.902 70.3 119.5 60.0 44.1 36.9 17.3 54.0 26 26 A I < - 0 0 17 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.2 -0.961 67.6 -93.3-135.3 153.3 37.2 19.8 51.1 27 27 A P - 0 0 60 0, 0.0 46,-2.5 0, 0.0 2,-0.4 -0.263 32.0-140.9 -68.0 151.5 39.2 19.6 47.9 28 28 A F E +c 73 0A 37 44,-0.2 2,-0.3 46,-0.0 46,-0.2 -0.903 19.8 178.3-113.8 142.5 42.7 21.0 47.4 29 29 A Y E -c 74 0A 67 44,-2.5 46,-2.6 -2,-0.4 2,-0.5 -0.998 17.8-152.8-144.2 142.1 44.0 22.9 44.4 30 30 A D E > -c 75 0A 26 -2,-0.3 4,-2.1 44,-0.2 5,-0.2 -0.975 13.4-145.9-116.0 122.0 47.3 24.5 43.6 31 31 A V H > S+ 0 0 0 44,-2.4 4,-3.2 -2,-0.5 3,-0.3 0.933 96.8 49.2 -52.7 -56.6 47.2 27.3 41.1 32 32 A D H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.888 111.8 49.7 -53.0 -42.6 50.5 26.7 39.4 33 33 A E H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.877 114.1 45.6 -65.5 -35.7 49.7 23.0 38.9 34 34 A E H X S+ 0 0 35 -4,-2.1 4,-2.4 -3,-0.3 -2,-0.2 0.886 110.1 54.1 -73.7 -37.9 46.3 24.0 37.4 35 35 A V H X S+ 0 0 0 -4,-3.2 4,-2.3 -5,-0.2 6,-0.3 0.935 112.1 44.5 -60.5 -46.2 47.8 26.6 35.2 36 36 A Q H X>S+ 0 0 64 -4,-2.4 4,-2.5 -5,-0.2 5,-0.8 0.948 112.6 50.0 -63.7 -50.6 50.2 24.1 33.7 37 37 A K H <5S+ 0 0 138 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.867 112.5 49.2 -57.8 -37.0 47.6 21.4 33.3 38 38 A R H <5S+ 0 0 113 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.933 118.5 36.9 -68.4 -46.7 45.4 23.9 31.5 39 39 A E H <5S- 0 0 44 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.681 99.0-136.0 -78.4 -19.1 48.0 25.2 29.1 40 40 A G T <5S+ 0 0 62 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.622 73.4 104.5 71.5 10.6 49.6 21.7 28.8 41 41 A L S - 0 0 31 -2,-0.3 4,-1.9 -3,-0.1 -9,-0.0 -0.319 38.0-106.8 -71.1 160.9 55.3 23.8 32.1 43 43 A I H >> S+ 0 0 31 2,-0.2 4,-1.4 1,-0.2 3,-0.9 0.966 122.7 48.2 -55.6 -54.8 55.6 27.2 33.7 44 44 A P H 3> S+ 0 0 75 0, 0.0 4,-0.6 0, 0.0 3,-0.3 0.949 110.9 51.8 -49.9 -51.3 59.0 27.8 32.1 45 45 A Q H 3> S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.812 104.7 61.8 -54.3 -31.1 57.6 26.7 28.8 46 46 A I H - 0 0 46 -2,-0.3 4,-0.8 1,-0.1 3,-0.4 -0.150 32.0-112.8 -63.7 163.5 54.9 36.3 27.5 52 52 A E H >> S+ 0 0 89 -5,-0.3 4,-3.5 1,-0.2 3,-0.8 0.858 117.6 64.1 -65.6 -35.6 55.0 36.4 31.3 53 53 A A H 3> S+ 0 0 66 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.903 100.9 53.2 -52.9 -39.4 52.3 39.0 31.3 54 54 A Y H 3> S+ 0 0 93 -3,-0.4 4,-1.1 1,-0.2 -1,-0.3 0.802 112.4 44.0 -65.5 -30.1 50.2 36.2 29.8 55 55 A F H < S+ 0 0 75 -4,-2.5 3,-1.5 1,-0.2 4,-0.3 0.910 111.3 48.4 -56.8 -44.8 37.8 30.2 38.4 66 66 A L H >< S+ 0 0 14 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.838 103.9 63.5 -63.3 -33.2 38.9 27.9 41.3 67 67 A S T 3< S+ 0 0 0 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.392 78.6 82.5 -74.3 1.9 37.3 30.4 43.7 68 68 A E T < S+ 0 0 140 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.833 76.1 86.3 -73.3 -29.3 33.9 29.7 42.3 69 69 A K S < S- 0 0 83 -3,-1.3 3,-0.1 -4,-0.3 -3,-0.0 -0.454 73.0-151.6 -68.1 138.6 33.9 26.6 44.6 70 70 A E S S+ 0 0 84 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.792 84.5 43.7 -83.5 -28.9 32.6 27.6 48.0 71 71 A N S S+ 0 0 57 -69,-0.1 2,-0.3 2,-0.0 -69,-0.2 -0.948 82.9 111.1-121.6 112.7 34.6 24.9 49.9 72 72 A V E -a 2 0A 0 -71,-2.1 -69,-2.5 -2,-0.5 2,-0.5 -0.956 54.7-130.4-174.3 152.4 38.2 24.5 48.8 73 73 A V E -ac 3 28A 0 -46,-2.5 -44,-2.5 -2,-0.3 2,-0.5 -0.978 28.7-169.1-113.4 123.5 41.8 25.0 49.9 74 74 A I E -ac 4 29A 0 -71,-2.8 -69,-2.7 -2,-0.5 2,-0.3 -0.971 9.2-157.2-120.2 121.9 43.9 26.8 47.2 75 75 A S E -ac 5 30A 0 -46,-2.6 -44,-2.4 -2,-0.5 2,-0.3 -0.750 18.6-149.9 -92.6 142.7 47.7 27.1 47.4 76 76 A T - 0 0 0 -71,-1.9 -63,-0.1 -2,-0.3 -62,-0.1 -0.734 14.1-104.9-113.4 162.7 49.1 30.0 45.4 77 77 A G > - 0 0 3 -2,-0.3 4,-2.1 1,-0.1 -70,-0.3 -0.298 39.8 -99.4 -78.9 169.5 52.4 30.6 43.6 78 78 A G H > S+ 0 0 13 1,-0.2 4,-0.6 2,-0.2 -71,-0.1 0.924 121.7 37.0 -53.8 -50.1 55.2 32.8 44.9 79 79 A G H >4 S+ 0 0 25 2,-0.2 3,-0.8 1,-0.2 4,-0.3 0.897 112.2 56.8 -71.7 -42.9 54.3 35.8 42.8 80 80 A L H >4 S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.914 106.5 50.3 -56.8 -44.9 50.5 35.4 42.9 81 81 A G H 3< S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.727 109.7 51.8 -66.8 -19.8 50.5 35.5 46.7 82 82 A A T << S+ 0 0 21 -3,-0.8 2,-0.9 -4,-0.6 -1,-0.3 0.379 86.3 101.6 -95.1 2.7 52.6 38.7 46.5 83 83 A N <> - 0 0 56 -3,-1.6 4,-2.8 -4,-0.3 5,-0.2 -0.786 60.7-159.9 -90.4 103.5 50.1 40.2 44.1 84 84 A E H > S+ 0 0 94 -2,-0.9 4,-2.8 2,-0.2 5,-0.2 0.825 89.8 53.5 -55.1 -35.2 48.0 42.6 46.2 85 85 A E H > S+ 0 0 136 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.984 113.3 42.7 -63.4 -53.8 45.1 42.7 43.8 86 86 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.853 114.2 53.4 -58.5 -35.1 44.9 38.9 43.8 87 87 A L H X S+ 0 0 3 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.911 108.8 47.3 -68.5 -41.5 45.4 39.0 47.6 88 88 A N H X S+ 0 0 101 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.865 110.5 53.3 -67.8 -34.0 42.5 41.5 48.0 89 89 A F H >< S+ 0 0 30 -4,-2.4 3,-0.7 -5,-0.2 4,-0.4 0.954 107.3 52.6 -62.6 -47.4 40.4 39.3 45.8 90 90 A X H >X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.3 3,-1.5 0.887 105.4 53.1 -55.4 -43.8 41.2 36.3 48.1 91 91 A K H 3< S+ 0 0 77 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.795 103.5 57.7 -63.7 -29.0 40.1 38.1 51.2 92 92 A S T << S+ 0 0 65 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.508 115.4 37.1 -80.0 -3.1 36.8 38.9 49.6 93 93 A R T <4 S- 0 0 84 -3,-1.5 -91,-0.4 -4,-0.4 2,-0.2 0.631 126.4 -49.6-117.5 -27.6 36.2 35.2 49.1 94 94 A G S < S- 0 0 21 -4,-2.3 2,-0.5 -5,-0.2 -91,-0.2 -0.850 77.8 -28.4-173.3-150.0 37.8 33.7 52.3 95 95 A T E -b 3 0A 34 -93,-2.3 -91,-3.3 -2,-0.2 2,-0.4 -0.830 44.8-151.3 -99.8 128.9 40.6 33.3 54.7 96 96 A T E -b 4 0A 0 -2,-0.5 46,-2.4 -93,-0.2 2,-0.5 -0.833 10.9-162.6-100.2 134.2 44.2 33.9 53.6 97 97 A V E -bd 5 142A 0 -93,-3.6 -91,-2.9 -2,-0.4 2,-0.7 -0.970 6.6-155.2-124.7 120.8 46.9 32.1 55.4 98 98 A F E -bd 6 143A 0 44,-3.7 46,-2.6 -2,-0.5 2,-1.1 -0.828 3.6-157.7 -97.8 115.1 50.6 33.0 55.3 99 99 A I E - d 0 144A 0 -93,-2.1 2,-0.4 -2,-0.7 -91,-0.3 -0.817 24.2-155.3 -93.1 99.7 52.9 30.1 56.0 100 100 A D E + d 0 145A 12 44,-2.5 46,-3.0 -2,-1.1 47,-0.4 -0.659 20.6 176.2 -87.6 126.6 56.0 32.1 57.1 101 101 A I - 0 0 0 -2,-0.4 -93,-0.1 45,-0.2 -90,-0.0 -0.975 31.8-113.7-125.4 140.9 59.6 30.9 56.9 102 102 A P >> - 0 0 34 0, 0.0 4,-2.3 0, 0.0 3,-0.8 -0.238 33.3-101.6 -69.2 160.7 62.7 33.0 57.8 103 103 A F H 3> S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.862 120.4 55.6 -52.4 -42.0 65.2 34.1 55.2 104 104 A E H 3> S+ 0 0 110 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.862 110.5 45.0 -62.5 -34.9 67.8 31.4 56.2 105 105 A V H <> S+ 0 0 0 -3,-0.8 4,-2.0 2,-0.2 5,-0.3 0.915 111.8 52.6 -72.2 -43.9 65.2 28.6 55.6 106 106 A F H X S+ 0 0 17 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.926 109.0 51.2 -53.9 -48.7 64.1 30.2 52.3 107 107 A L H < S+ 0 0 28 -4,-2.6 12,-0.7 1,-0.2 -1,-0.2 0.868 113.5 43.1 -60.2 -41.0 67.7 30.2 51.2 108 108 A E H < S+ 0 0 118 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.726 125.2 31.6 -81.8 -20.8 68.3 26.6 52.0 109 109 A R H < S+ 0 0 107 -4,-2.0 -2,-0.2 -3,-0.2 -3,-0.2 0.795 102.6 77.7-105.4 -36.1 65.0 25.2 50.6 110 110 A a < - 0 0 5 -4,-2.9 8,-1.7 -5,-0.3 9,-0.4 -0.224 54.2-163.1 -77.8 165.9 64.0 27.4 47.7 111 111 A K B -E 117 0B 105 6,-0.2 -102,-0.1 7,-0.1 -101,-0.1 -0.947 20.4-111.4-142.3 158.4 65.4 27.5 44.1 112 112 A D > - 0 0 35 4,-2.0 3,-2.1 -2,-0.3 6,-0.0 -0.150 49.4 -81.7 -82.2-174.8 65.2 30.0 41.2 113 113 A S T 3 S+ 0 0 88 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.679 131.3 55.7 -63.4 -17.7 63.3 29.6 38.0 114 114 A K T 3 S- 0 0 141 2,-0.1 -1,-0.3 -70,-0.0 -2,-0.0 0.253 119.0-110.6 -97.7 11.2 66.2 27.5 36.6 115 115 A E < + 0 0 161 -3,-2.1 -2,-0.1 1,-0.2 3,-0.0 0.735 69.5 146.7 67.3 24.0 65.9 25.1 39.5 116 116 A R - 0 0 104 1,-0.1 -4,-2.0 2,-0.0 2,-0.2 -0.726 58.6-103.3 -91.6 139.4 69.2 26.3 40.9 117 117 A P B > -E 111 0B 67 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.465 22.7-140.2 -63.7 125.6 69.6 26.3 44.7 118 118 A L G > S+ 0 0 7 -8,-1.7 3,-1.2 1,-0.3 -10,-0.1 0.756 97.8 73.6 -57.2 -25.6 69.3 29.9 46.0 119 119 A L G 3 S+ 0 0 96 -12,-0.7 -1,-0.3 -9,-0.4 -11,-0.1 0.676 102.2 42.6 -64.3 -13.5 72.1 29.2 48.4 120 120 A K G < S+ 0 0 155 -3,-2.3 -1,-0.3 -13,-0.1 -2,-0.2 0.432 96.9 90.5-110.9 -2.6 74.5 29.3 45.5 121 121 A R S < S- 0 0 78 -3,-1.2 5,-0.1 -4,-0.3 -3,-0.0 -0.572 95.5 -83.1 -89.1 156.8 73.0 32.3 43.6 122 122 A P > - 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0 0 66 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.291 43.9-101.6 -70.8 160.2 39.3 22.5 76.0 477 150 C P H 3> S+ 0 0 44 0, 0.0 4,-2.8 0, 0.0 3,-0.5 0.910 119.1 52.4 -44.4 -59.9 36.8 22.7 73.1 478 151 C E H 3> S+ 0 0 63 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.819 111.9 47.2 -48.5 -39.9 39.3 23.8 70.4 479 152 C E H <> S+ 0 0 57 -3,-0.7 4,-1.9 2,-0.2 -1,-0.3 0.841 110.3 51.1 -73.9 -35.4 41.6 20.9 71.2 480 153 C V H X S+ 0 0 2 -4,-2.0 4,-2.1 -3,-0.5 -2,-0.2 0.945 112.8 46.7 -66.4 -46.1 38.8 18.3 71.3 481 154 C V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.887 110.4 51.5 -62.4 -42.0 37.6 19.6 67.8 482 155 C K H X S+ 0 0 29 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.906 110.7 50.4 -62.3 -38.9 41.2 19.6 66.4 483 156 C E H X S+ 0 0 55 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.874 110.5 48.3 -67.4 -38.2 41.6 16.0 67.6 484 157 C I H >X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 3,-1.5 0.970 109.3 53.0 -66.1 -50.6 38.3 14.9 66.1 485 158 C L H 3X S+ 0 0 1 -4,-2.6 4,-0.6 1,-0.3 -2,-0.2 0.864 110.5 47.1 -50.7 -42.5 39.1 16.5 62.7 486 159 C L H 3< S+ 0 0 70 -4,-1.8 4,-0.5 1,-0.2 -1,-0.3 0.619 110.1 54.4 -78.2 -12.3 42.5 14.7 62.5 487 160 C S H X S+ 0 0 89 -4,-0.6 4,-1.5 1,-0.2 3,-0.8 0.964 112.4 46.1 -55.5 -59.0 40.6 10.5 57.8 490 163 C G H 34 S+ 0 0 59 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.801 113.5 51.7 -55.5 -29.8 42.3 7.6 59.4 491 164 C N H 3< S+ 0 0 60 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.823 104.8 56.7 -77.6 -29.3 38.9 6.3 60.6 492 165 C A H << 0 0 73 -4,-1.8 -2,-0.2 -3,-0.8 -1,-0.2 0.850 360.0 360.0 -71.3 -36.8 37.4 6.5 57.1 493 166 C L < 0 0 195 -4,-1.5 0, 0.0 0, 0.0 0, 0.0 -0.698 360.0 360.0-127.2 360.0 40.0 4.3 55.3 494 !* 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 0.0 495 1 D X 0 0 91 0, 0.0 71,-3.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-170.4 18.8 46.1 88.4 496 2 D R E +o 566 0F 48 69,-0.2 93,-2.2 91,-0.2 2,-0.4 -0.939 360.0 176.1-109.7 124.1 21.0 44.0 86.0 497 3 D I E -op 567 589F 0 69,-2.3 71,-3.5 -2,-0.5 2,-0.5 -0.988 12.5-159.7-130.8 126.6 19.8 43.7 82.4 498 4 D Y E -op 568 590F 0 91,-2.9 93,-3.6 -2,-0.4 2,-0.6 -0.909 3.8-156.5-109.2 128.9 21.8 41.9 79.6 499 5 D L E +op 569 591F 0 69,-2.9 71,-2.4 -2,-0.5 2,-0.3 -0.900 19.9 178.8-103.3 123.1 21.1 42.6 76.0 500 6 D I E + p 0 592F 0 91,-3.1 93,-2.2 -2,-0.6 2,-0.2 -0.861 21.4 91.5-122.4 159.5 22.1 39.7 73.7 501 7 D G - 0 0 0 70,-0.5 74,-0.2 -2,-0.3 4,-0.1 -0.838 69.8 -30.5 145.3 177.5 22.0 39.1 69.9 502 8 D F > - 0 0 4 91,-0.3 3,-1.5 -2,-0.2 5,-0.4 -0.085 61.2-104.8 -61.4 161.3 23.9 39.6 66.7 503 9 D X G > S+ 0 0 146 1,-0.3 3,-0.6 2,-0.1 4,-0.2 0.860 119.1 49.3 -53.7 -47.1 26.4 42.4 66.1 504 10 D d G 3 S+ 0 0 19 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.020 80.3 107.0 -85.4 29.2 24.1 44.5 63.8 505 11 D S G < S- 0 0 2 -3,-1.5 -1,-0.2 -4,-0.1 -2,-0.1 0.428 87.2-124.9 -87.0 -0.3 21.4 44.2 66.4 506 12 D G <> + 0 0 34 -3,-0.6 4,-2.8 1,-0.1 3,-0.4 0.651 59.4 148.8 65.7 16.7 21.8 47.8 67.5 507 13 D K H > + 0 0 9 -5,-0.4 4,-3.9 1,-0.2 5,-0.2 0.835 64.5 57.9 -50.2 -40.7 22.3 46.7 71.1 508 14 D S H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.936 113.0 38.1 -56.6 -51.6 24.6 49.6 71.9 509 15 D T H > S+ 0 0 75 -3,-0.4 4,-2.5 2,-0.2 5,-0.3 0.928 119.9 46.4 -67.2 -47.7 22.1 52.2 70.9 510 16 D V H X S+ 0 0 3 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.959 114.2 50.2 -59.2 -48.4 19.1 50.3 72.4 511 17 D G H X S+ 0 0 0 -4,-3.9 4,-2.6 -5,-0.3 -2,-0.2 0.904 111.1 47.3 -55.2 -47.1 21.2 49.7 75.5 512 18 D S H X S+ 0 0 41 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.921 115.3 44.8 -62.9 -45.9 22.2 53.3 75.9 513 19 D L H X S+ 0 0 64 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.869 113.1 51.1 -68.5 -36.6 18.6 54.6 75.4 514 20 D L H X S+ 0 0 0 -4,-3.0 4,-1.8 -5,-0.3 -2,-0.2 0.943 111.4 47.5 -64.5 -45.1 17.2 51.9 77.7 515 21 D S H X>S+ 0 0 4 -4,-2.6 5,-2.0 -5,-0.2 4,-0.7 0.849 109.9 53.0 -64.8 -33.0 19.7 52.8 80.4 516 22 D R H <5S+ 0 0 164 -4,-1.9 -1,-0.2 1,-0.2 3,-0.2 0.866 109.3 50.5 -68.1 -35.6 18.9 56.5 79.9 517 23 D S H <5S+ 0 0 68 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.822 118.5 36.4 -71.8 -31.8 15.2 55.6 80.4 518 24 D L H <5S- 0 0 62 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.389 106.0-125.8-100.9 1.9 15.9 53.7 83.6 519 25 D N T <5 + 0 0 145 -4,-0.7 -3,-0.2 -3,-0.2 -4,-0.1 0.944 67.7 124.0 50.0 56.0 18.6 56.1 84.9 520 26 D I < - 0 0 24 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.2 -0.981 67.1 -91.1-139.9 147.6 21.2 53.3 85.3 521 27 D P - 0 0 66 0, 0.0 46,-1.9 0, 0.0 2,-0.4 -0.202 36.2-142.4 -61.3 151.3 24.7 53.1 83.8 522 28 D F E +q 567 0F 41 44,-0.2 2,-0.3 46,-0.0 46,-0.2 -0.917 18.0 179.1-117.5 143.7 25.3 51.3 80.5 523 29 D Y E -q 568 0F 66 44,-2.2 46,-2.6 -2,-0.4 2,-0.5 -0.999 17.6-153.8-143.8 138.1 28.2 49.2 79.4 524 30 D D E > -q 569 0F 13 -2,-0.3 4,-2.4 44,-0.2 3,-0.2 -0.971 17.8-142.0-111.6 122.8 29.0 47.3 76.2 525 31 D V H > S+ 0 0 0 44,-2.6 4,-2.4 -2,-0.5 -1,-0.2 0.921 100.5 46.7 -49.2 -54.8 31.3 44.3 76.9 526 32 D D H > S+ 0 0 19 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.843 110.5 53.9 -59.5 -35.3 33.4 44.8 73.7 527 33 D E H > S+ 0 0 106 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.936 110.6 46.5 -63.6 -46.0 33.7 48.5 74.3 528 34 D E H X S+ 0 0 31 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.865 107.9 56.0 -64.3 -39.7 35.1 47.8 77.8 529 35 D V H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 6,-0.3 0.984 111.2 42.8 -57.1 -58.9 37.5 45.1 76.6 530 36 D Q H X>S+ 0 0 51 -4,-1.9 4,-0.8 1,-0.2 5,-0.7 0.928 112.7 55.2 -51.5 -49.7 39.2 47.5 74.1 531 37 D K H <5S+ 0 0 152 -4,-2.3 3,-0.4 -5,-0.2 -1,-0.2 0.901 113.9 39.3 -51.6 -48.4 39.2 50.2 76.7 532 38 D R H <5S+ 0 0 121 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.964 121.3 42.0 -68.1 -52.5 41.0 48.1 79.2 533 39 D E H <5S- 0 0 51 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.369 98.9-137.3 -77.4 5.1 43.4 46.4 76.8 534 40 D G T <5S+ 0 0 63 -4,-0.8 -3,-0.2 -3,-0.4 -4,-0.1 0.632 70.0 105.3 47.7 15.0 43.9 49.7 75.0 535 41 D L < - 0 0 40 -5,-0.7 2,-0.3 -6,-0.3 -1,-0.2 -0.358 69.4-112.7-109.7-169.0 43.6 47.8 71.7 536 42 D S > - 0 0 40 -2,-0.1 4,-1.8 -3,-0.1 5,-0.3 -0.852 30.7-107.5-123.9 159.6 41.0 47.3 69.0 537 43 D I H >> S+ 0 0 40 -2,-0.3 4,-1.0 1,-0.2 3,-0.5 0.942 125.3 41.2 -53.2 -48.6 39.0 44.2 68.1 538 44 D P H >> S+ 0 0 65 0, 0.0 4,-1.1 0, 0.0 3,-0.6 0.918 111.1 57.2 -65.6 -40.2 41.1 43.8 64.9 539 45 D Q H 3> S+ 0 0 96 1,-0.3 4,-0.5 2,-0.2 -2,-0.2 0.736 108.0 47.5 -60.9 -24.2 44.3 44.7 66.9 540 46 D I H S+ 0 0 0 -4,-1.8 4,-1.2 -3,-0.5 5,-1.0 0.683 102.0 71.2 -88.7 -21.2 43.6 41.8 69.2 541 47 D F H S+ 0 0 18 2,-0.2 4,-1.6 -386,-0.1 5,-0.2 0.788 119.6 54.5 -94.6 -35.1 40.2 35.4 68.6 547 53 D A H > S+ 0 0 44 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.783 109.2 54.4 -67.4 -25.4 39.3 32.6 71.1 548 54 D Y H >> S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 3,-1.1 0.930 100.9 56.6 -70.3 -49.4 41.4 34.8 73.5 549 55 D F H 3X S+ 0 0 13 -4,-0.9 4,-2.1 1,-0.3 -2,-0.2 0.886 108.4 47.4 -49.6 -44.6 39.3 37.8 72.8 550 56 D R H 3X S+ 0 0 46 -4,-1.6 4,-2.3 2,-0.2 -1,-0.3 0.710 103.8 61.9 -71.6 -21.6 36.2 35.9 73.9 551 57 D K H < S+ 0 0 58 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.924 113.1 46.0 -57.9 -48.0 33.5 41.9 86.3 560 66 D L H >< S+ 0 0 4 -4,-3.1 3,-2.3 1,-0.3 -1,-0.2 0.863 101.6 66.9 -63.3 -36.7 30.7 44.3 85.1 561 67 D S T 3< S+ 0 0 0 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.467 81.1 79.6 -64.6 -1.0 28.1 41.9 86.6 562 68 D E T < S+ 0 0 128 -3,-1.4 -1,-0.3 -5,-0.1 2,-0.2 0.725 75.9 90.6 -77.5 -22.7 29.5 42.9 90.0 563 69 D K S < S- 0 0 76 -3,-2.3 3,-0.1 -4,-0.2 -3,-0.0 -0.513 70.5-149.6 -74.5 140.9 27.5 46.1 89.6 564 70 D E S S+ 0 0 147 1,-0.2 2,-0.5 -2,-0.2 -1,-0.1 0.835 85.8 39.0 -79.4 -37.4 23.9 45.9 91.1 565 71 D N S S+ 0 0 83 -69,-0.1 2,-0.3 2,-0.0 -69,-0.2 -0.952 83.7 109.5-121.3 114.0 22.4 48.4 88.7 566 72 D V E -o 496 0F 0 -71,-3.3 -69,-2.3 -2,-0.5 2,-0.5 -0.955 54.0-130.5-175.9 155.5 23.4 48.3 85.1 567 73 D V E -oq 497 522F 0 -46,-1.9 -44,-2.2 -2,-0.3 2,-0.6 -0.983 29.1-163.1-116.4 118.4 22.4 47.5 81.5 568 74 D I E -oq 498 523F 0 -71,-3.5 -69,-2.9 -2,-0.5 2,-0.4 -0.918 6.6-159.2-114.6 120.8 25.0 45.3 79.8 569 75 D S E -oq 499 524F 0 -46,-2.6 -44,-2.6 -2,-0.6 2,-0.3 -0.750 17.3-151.9 -91.2 136.5 25.2 44.9 76.0 570 76 D T - 0 0 0 -71,-2.4 -63,-0.1 -2,-0.4 -69,-0.1 -0.830 14.1-109.2-115.3 153.6 27.0 41.8 74.8 571 77 D G > - 0 0 4 -2,-0.3 4,-1.3 -71,-0.1 -70,-0.5 0.009 42.0 -96.7 -64.0 179.0 28.9 41.0 71.6 572 78 D G H > S+ 0 0 14 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.999 118.1 35.9 -63.4 -68.9 27.6 38.5 69.1 573 79 D G H 4 S+ 0 0 8 -407,-0.3 4,-0.4 1,-0.2 3,-0.2 0.733 110.5 62.9 -59.2 -26.8 29.3 35.3 70.1 574 80 D L H >4 S+ 0 0 3 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.942 102.6 49.0 -65.8 -46.0 29.3 36.0 73.8 575 81 D G H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.706 108.2 56.6 -66.2 -18.0 25.5 35.9 73.9 576 82 D A T 3< S+ 0 0 6 -4,-0.8 2,-0.7 -3,-0.2 -1,-0.3 0.472 82.8 97.0 -92.6 -4.2 25.5 32.7 72.0 577 83 D N <> - 0 0 51 -3,-1.5 4,-2.8 -4,-0.4 3,-0.3 -0.787 66.6-149.2 -88.8 118.0 27.6 30.8 74.5 578 84 D E H > S+ 0 0 64 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.838 96.6 52.6 -55.0 -38.2 25.4 28.8 76.8 579 85 D E H > S+ 0 0 126 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 112.4 46.0 -65.9 -39.2 27.9 29.0 79.7 580 86 D A H > S+ 0 0 0 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.934 113.0 49.4 -67.2 -45.6 27.9 32.8 79.3 581 87 D L H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.911 109.5 52.1 -60.4 -43.8 24.1 33.0 79.0 582 88 D N H X S+ 0 0 95 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.905 106.9 52.2 -61.0 -41.9 23.7 30.9 82.1 583 89 D F H X S+ 0 0 45 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.909 112.6 47.2 -59.7 -40.3 25.9 33.1 84.1 584 90 D X H >X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 3,-0.8 0.913 108.0 53.2 -67.1 -45.2 23.8 36.1 83.0 585 91 D K H 3< S+ 0 0 76 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.801 107.4 53.9 -61.7 -28.8 20.5 34.4 83.7 586 92 D S H 3< S+ 0 0 93 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.743 117.1 35.2 -78.3 -23.5 21.6 33.8 87.3 587 93 D R H << S- 0 0 62 -4,-0.8 2,-0.3 -3,-0.8 -2,-0.2 0.538 126.7 -27.1-107.9 -9.1 22.5 37.4 87.9 588 94 D G S < S- 0 0 21 -4,-1.7 2,-0.5 -5,-0.1 -91,-0.2 -0.909 81.2 -45.0-172.5-159.3 19.9 39.3 86.0 589 95 D T E -p 497 0F 22 -93,-2.2 -91,-2.9 -2,-0.3 2,-0.4 -0.867 44.5-147.3-101.9 123.0 17.3 39.5 83.2 590 96 D T E -p 498 0F 0 -2,-0.5 37,-2.2 -93,-0.2 2,-0.5 -0.751 11.8-166.2 -91.7 129.4 18.4 38.4 79.7 591 97 D V E -pr 499 627F 0 -93,-3.6 -91,-3.1 -2,-0.4 2,-0.7 -0.956 8.1-156.3-121.3 119.5 17.0 40.2 76.7 592 98 D F E -pr 500 628F 0 35,-3.3 37,-2.8 -2,-0.5 2,-1.3 -0.845 5.3-156.5 -94.8 113.0 17.2 38.9 73.2 593 99 D I E - r 0 629F 0 -93,-2.2 2,-0.5 -2,-0.7 -91,-0.3 -0.793 24.8-157.4 -89.3 96.8 16.9 41.7 70.6 594 100 D D E - r 0 630F 21 35,-2.6 37,-3.3 -2,-1.3 38,-0.5 -0.686 16.4-177.0 -87.9 122.6 15.8 39.5 67.8 595 101 D I - 0 0 0 -2,-0.5 -93,-0.1 36,-0.2 5,-0.1 -0.962 29.8-110.8-120.0 135.9 16.2 40.5 64.1 596 102 D P > - 0 0 31 0, 0.0 4,-2.2 0, 0.0 3,-0.5 -0.190 31.5-109.4 -60.3 152.8 15.0 38.5 61.1 597 103 D F H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.881 117.2 54.3 -51.1 -46.5 17.6 36.9 58.8 598 104 D E H > S+ 0 0 109 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.889 111.1 46.5 -58.7 -39.0 16.9 39.3 55.9 599 105 D V H > S+ 0 0 14 -3,-0.5 4,-2.8 2,-0.2 5,-0.3 0.876 109.5 53.6 -69.8 -38.5 17.6 42.3 58.2 600 106 D F H X S+ 0 0 13 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.931 109.8 48.7 -61.1 -44.4 20.7 40.7 59.6 601 107 D L H < S+ 0 0 68 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.848 113.9 47.8 -64.7 -33.5 22.0 40.3 56.1 602 108 D E H < S+ 0 0 147 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.913 120.5 33.0 -75.1 -43.9 21.1 43.9 55.4 603 109 D R H < 0 0 121 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.743 360.0 360.0 -85.7 -27.2 22.7 45.6 58.4 604 110 D d < 0 0 82 -4,-2.5 -102,-0.0 -5,-0.3 -3,-0.0 -0.155 360.0 360.0 -92.2 360.0 25.6 43.2 58.9 605 ! 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 0.0 606 121 D R 0 0 161 0, 0.0 -512,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 100.7 31.2 34.8 52.4 607 122 D P >> - 0 0 16 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.124 360.0-132.3 -49.4 128.6 28.8 32.1 51.0 608 123 D L H 3> S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.855 104.1 59.8 -50.6 -41.4 25.1 32.6 51.8 609 124 D D H 3> S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 107.0 44.8 -57.3 -44.3 24.8 29.0 52.9 610 125 D E H <> S+ 0 0 23 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.915 110.0 53.3 -68.1 -43.6 27.4 29.3 55.7 611 126 D I H X S+ 0 0 25 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.903 108.5 53.4 -56.6 -42.0 26.0 32.7 56.9 612 127 D K H X S+ 0 0 69 -4,-2.2 4,-3.0 -5,-0.2 5,-0.2 0.940 106.6 48.8 -59.2 -52.9 22.6 31.0 57.2 613 128 D N H X S+ 0 0 16 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.901 111.7 50.7 -55.8 -43.6 23.8 28.1 59.3 614 129 D L H X S+ 0 0 19 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.927 112.3 46.5 -59.4 -48.1 25.6 30.5 61.7 615 130 D F H X S+ 0 0 15 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.927 114.9 46.7 -60.6 -46.9 22.5 32.6 62.1 616 131 D E H X S+ 0 0 78 -4,-3.0 4,-1.0 2,-0.2 -2,-0.2 0.874 112.8 49.2 -64.9 -40.4 20.3 29.6 62.7 617 132 D E H >X S+ 0 0 17 -4,-2.8 4,-0.7 -5,-0.2 3,-0.6 0.968 116.5 39.7 -64.9 -54.7 22.6 27.9 65.2 618 133 D R H >X S+ 0 0 9 -4,-2.3 4,-2.9 1,-0.2 3,-1.0 0.874 107.3 62.2 -64.7 -39.2 23.1 31.0 67.3 619 134 D R H 3X S+ 0 0 81 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.824 99.3 57.4 -58.2 -29.3 19.5 32.2 67.2 620 135 D K H << S+ 0 0 79 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.829 111.0 43.5 -69.0 -31.0 18.5 29.0 68.9 621 136 D I H X< S+ 0 0 22 -3,-1.0 3,-2.1 -4,-0.7 -2,-0.2 0.938 112.5 49.5 -77.9 -50.0 20.9 29.9 71.7 622 137 D Y H >< S+ 0 0 0 -4,-2.9 3,-2.1 1,-0.3 -2,-0.2 0.882 100.9 68.0 -55.5 -39.3 19.8 33.6 71.9 623 138 D S T 3< S+ 0 0 41 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.562 82.5 73.3 -60.0 -8.9 16.2 32.4 72.0 624 139 D K T < S+ 0 0 53 -3,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.433 73.3 121.4 -84.8 1.6 16.8 30.9 75.4 625 140 D A S < S- 0 0 14 -3,-2.1 -34,-0.1 1,-0.1 3,-0.1 -0.206 77.0-119.1 -61.6 156.3 16.8 34.5 76.8 626 141 D D S S+ 0 0 73 -36,-0.2 2,-0.3 1,-0.1 -35,-0.2 0.871 99.4 27.7 -64.2 -36.4 14.2 35.3 79.5 627 142 D I E -r 591 0F 11 -37,-2.2 -35,-3.3 2,-0.0 2,-0.4 -0.958 65.8-165.7-130.6 147.6 12.8 38.0 77.2 628 143 D K E +r 592 0F 101 -2,-0.3 2,-0.3 -37,-0.2 -35,-0.2 -0.999 10.9 177.6-132.7 131.8 12.7 38.4 73.4 629 144 D V E -r 593 0F 7 -37,-2.8 -35,-2.6 -2,-0.4 2,-0.5 -0.966 37.7-102.2-133.6 150.9 11.8 41.6 71.5 630 145 D K E -r 594 0F 119 -2,-0.3 3,-0.3 -37,-0.2 -35,-0.2 -0.589 31.5-175.2 -72.2 121.1 11.7 42.5 67.8 631 146 D G + 0 0 3 -37,-3.3 -36,-0.2 -2,-0.5 -1,-0.1 0.433 59.5 96.3 -98.3 1.7 14.8 44.5 67.0 632 147 D E S S+ 0 0 80 -38,-0.5 -1,-0.2 6,-0.0 -37,-0.1 0.359 75.5 73.5 -71.1 1.7 13.9 45.3 63.4 633 148 D K S S- 0 0 61 -3,-0.3 5,-0.1 1,-0.2 0, 0.0 -0.598 98.2 -66.6-114.2 174.9 12.6 48.7 64.4 634 149 D P >> - 0 0 71 0, 0.0 4,-1.5 0, 0.0 3,-0.5 -0.197 53.6-107.9 -55.9 153.6 14.0 52.1 65.4 635 150 D P H 3> S+ 0 0 48 0, 0.0 4,-2.6 0, 0.0 3,-0.4 0.894 116.0 57.0 -50.2 -50.2 15.8 52.0 68.8 636 151 D E H 3> S+ 0 0 142 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.880 107.5 49.0 -52.8 -41.1 13.1 54.0 70.7 637 152 D E H <> S+ 0 0 96 -3,-0.5 4,-1.8 2,-0.2 -1,-0.3 0.839 109.5 51.4 -70.4 -31.1 10.5 51.4 69.7 638 153 D V H X S+ 0 0 0 -4,-1.5 4,-2.2 -3,-0.4 -2,-0.2 0.886 107.8 53.2 -72.0 -36.9 12.8 48.5 70.9 639 154 D V H X S+ 0 0 7 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.934 107.9 50.4 -61.9 -44.8 13.3 50.2 74.2 640 155 D K H X S+ 0 0 131 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.914 109.0 52.4 -59.7 -40.0 9.5 50.5 74.7 641 156 D E H X S+ 0 0 40 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.898 109.9 48.1 -62.5 -41.1 9.2 46.8 73.8 642 157 D I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.937 111.2 51.2 -65.4 -44.2 11.8 45.9 76.5 643 158 D L H X S+ 0 0 62 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.949 113.3 43.2 -58.6 -51.1 10.0 48.1 79.0 644 159 D L H X S+ 0 0 120 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.862 111.9 54.9 -64.0 -35.3 6.6 46.5 78.4 645 160 D S H X S+ 0 0 40 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.853 103.0 56.0 -66.6 -34.0 8.2 43.1 78.4 646 161 D L H X S+ 0 0 33 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.897 108.0 48.6 -64.4 -36.9 9.7 43.7 81.8 647 162 D E H X S+ 0 0 122 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.957 110.0 50.7 -66.0 -47.8 6.2 44.4 83.1 648 163 D G H < S+ 0 0 43 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.898 110.4 51.8 -54.2 -38.8 4.9 41.2 81.5 649 164 D N H < S+ 0 0 68 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.914 107.6 49.5 -65.1 -44.2 7.8 39.5 83.3 650 165 D A H >< S+ 0 0 70 -4,-2.4 3,-1.1 -5,-0.1 2,-0.5 0.876 91.0 90.7 -63.1 -38.0 6.9 40.9 86.7 651 166 D L T 3< S- 0 0 124 -4,-2.5 -4,-0.0 1,-0.3 0, 0.0 -0.467 112.6 -7.4 -61.7 112.4 3.4 39.8 86.2 652 167 D G T 3 0 0 91 -2,-0.5 -1,-0.3 0, 0.0 -2,-0.1 0.971 360.0 360.0 63.5 57.6 3.4 36.3 87.7 653 168 D G < 0 0 91 -3,-1.1 -2,-0.2 0, 0.0 0, 0.0 0.565 360.0 360.0 138.3 360.0 7.2 36.0 88.3