==== 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 ISOMERASE 21-SEP-01 1K0W . COMPND 2 MOLECULE: L-RIBULOSE 5 PHOSPHATE 4-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.LUO,J.SAMUEL,S.C.MOSIMANN,J.E.LEE,N.C.J.STRYNADKA . 1338 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 918 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 198 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 53 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 490 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.2 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 7 5 0 0 0 7 11 0 0 0 1 3 8 0 0 0 0 0 0 0 6 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 PARALLEL BRIDGES PER LADDER . 12 6 0 30 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 0 0 0 6 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 59 0, 0.0 3,-0.1 0, 0.0 67,-0.0 0.000 360.0 360.0 360.0 -24.9 22.0 16.7 95.8 2 2 A L >> + 0 0 36 1,-0.1 3,-2.5 2,-0.0 4,-2.1 -0.402 360.0 167.0-132.7 53.8 22.5 13.3 94.2 3 3 A E H 3> S+ 0 0 119 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.794 74.9 54.3 -38.3 -46.8 25.6 12.2 96.1 4 4 A D H 3> S+ 0 0 121 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.811 112.0 46.0 -63.8 -27.0 25.3 8.6 94.9 5 5 A L H <> S+ 0 0 16 -3,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.880 109.6 52.2 -80.4 -41.1 25.3 9.9 91.3 6 6 A K H X S+ 0 0 13 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.756 109.4 54.1 -63.8 -23.9 28.2 12.3 91.9 7 7 A R H X S+ 0 0 134 -4,-1.5 4,-2.7 -5,-0.3 -1,-0.2 0.908 107.8 46.9 -74.8 -46.0 30.0 9.2 93.2 8 8 A Q H X S+ 0 0 82 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.864 116.7 44.3 -63.4 -39.1 29.4 7.1 90.1 9 9 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.914 112.9 51.3 -73.0 -44.9 30.5 10.0 87.9 10 10 A L H X S+ 0 0 9 -4,-2.0 4,-2.1 -5,-0.2 5,-0.2 0.972 112.8 45.2 -55.0 -57.3 33.5 10.8 90.0 11 11 A E H X S+ 0 0 110 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.838 112.1 52.2 -57.2 -35.8 34.7 7.2 90.0 12 12 A A H X S+ 0 0 7 -4,-1.5 4,-0.7 -5,-0.2 -1,-0.2 0.893 109.3 49.8 -69.2 -37.7 34.1 6.9 86.3 13 13 A N H >< S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.863 109.4 50.9 -67.1 -36.1 36.2 10.0 85.7 14 14 A L H 3X S+ 0 0 42 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.695 102.2 63.4 -73.7 -19.1 39.0 8.6 87.8 15 15 A A H 3X S+ 0 0 15 -4,-0.9 4,-2.0 -5,-0.2 -1,-0.2 0.758 86.4 75.3 -75.5 -25.5 38.8 5.4 85.8 16 16 A L H <<>S+ 0 0 0 -4,-0.7 5,-2.4 -3,-0.6 6,-0.6 0.938 101.5 35.8 -54.0 -55.5 39.8 7.3 82.6 17 17 A P H >45S+ 0 0 46 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.878 112.8 60.8 -69.1 -33.2 43.5 7.7 83.5 18 18 A K H 3<5S+ 0 0 159 -4,-0.9 -2,-0.2 1,-0.3 -3,-0.1 0.848 107.6 44.6 -60.7 -34.4 43.6 4.3 85.2 19 19 A H T 3<5S- 0 0 92 -4,-2.0 -1,-0.3 -3,-0.3 -3,-0.1 0.176 115.4-117.3 -96.1 18.2 42.6 2.6 81.9 20 20 A N T < 5S+ 0 0 137 -3,-1.9 -2,-0.1 1,-0.1 -4,-0.1 0.822 79.1 125.3 51.3 39.9 45.1 4.8 79.9 21 21 A L < + 0 0 7 -5,-2.4 76,-0.6 -6,-0.2 2,-0.3 0.552 69.7 36.6 -99.3 -11.2 42.3 6.4 77.9 22 22 A V - 0 0 15 -6,-0.6 2,-0.3 74,-0.1 -2,-0.1 -0.902 60.4-154.8-139.9 164.4 43.5 9.9 78.9 23 23 A T > - 0 0 78 -2,-0.3 3,-2.4 -3,-0.1 2,-0.1 -0.957 69.3 -16.7-136.3 153.8 46.5 12.1 79.6 24 24 A L T 3 S- 0 0 130 -2,-0.3 24,-0.4 1,-0.3 -2,-0.1 -0.300 127.4 -33.7 51.7-115.9 46.9 15.2 81.7 25 25 A T T 3 S+ 0 0 61 -2,-0.1 -1,-0.3 22,-0.1 21,-0.1 0.181 99.1 128.7-122.2 17.7 43.3 16.4 82.2 26 26 A W < + 0 0 124 -3,-2.4 70,-0.0 71,-0.0 69,-0.0 -0.194 48.2 43.2 -67.4 165.3 41.7 15.4 78.9 27 27 A G - 0 0 5 1,-0.1 2,-0.3 -5,-0.1 69,-0.2 0.166 58.2-153.1 82.5 157.6 38.5 13.4 78.8 28 28 A N E -A 95 0A 6 67,-2.2 67,-2.1 46,-0.0 2,-0.4 -0.923 3.6-155.5-169.0 142.6 35.3 13.6 80.8 29 29 A V E +A 94 0A 0 -2,-0.3 13,-1.3 65,-0.2 2,-0.3 -0.939 13.8 177.7-123.8 146.1 32.4 11.3 82.0 30 30 A S E -AB 93 41A 0 63,-1.9 63,-2.4 -2,-0.4 2,-0.3 -0.960 11.7-157.6-143.4 160.2 28.9 12.2 82.9 31 31 A A E -AB 92 40A 5 9,-2.1 9,-3.3 -2,-0.3 2,-0.3 -0.980 14.9-137.4-138.1 148.0 25.7 10.3 84.0 32 32 A V E - B 0 39A 20 59,-2.2 2,-0.4 -2,-0.3 7,-0.3 -0.762 11.1-158.8-112.5 156.0 22.1 11.4 83.8 33 33 A D E >> - B 0 38A 47 5,-2.9 5,-1.6 -2,-0.3 4,-1.3 -0.835 13.7-172.8-128.8 88.0 19.0 11.2 86.1 34 34 A R T >45S+ 0 0 91 -2,-0.4 3,-1.5 1,-0.2 -1,-0.2 0.924 83.2 51.9 -48.2 -58.3 16.1 11.4 83.7 35 35 A E T 345S+ 0 0 201 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.858 114.2 46.0 -50.4 -36.3 13.4 11.7 86.4 36 36 A R T 345S- 0 0 124 -3,-0.5 -1,-0.3 2,-0.2 -2,-0.2 0.684 105.1-135.2 -79.6 -18.6 15.4 14.5 87.9 37 37 A G T <<5 + 0 0 29 -3,-1.5 24,-1.6 -4,-1.3 25,-0.5 0.882 69.8 100.1 65.2 37.8 15.9 16.1 84.5 38 38 A V E < -BC 33 60A 5 -5,-1.6 -5,-2.9 22,-0.2 2,-0.3 -0.983 55.7-151.8-150.4 156.2 19.5 16.7 85.2 39 39 A F E -BC 32 59A 0 20,-2.3 20,-2.8 -2,-0.3 2,-0.5 -0.963 13.8-135.0-131.9 151.6 22.9 15.1 84.5 40 40 A V E +BC 31 58A 0 -9,-3.3 -9,-2.1 -2,-0.3 2,-0.3 -0.915 28.6 177.3-109.4 129.1 26.2 15.1 86.5 41 41 A I E -BC 30 57A 0 16,-2.3 16,-2.2 -2,-0.5 -11,-0.2 -0.909 35.4 -86.5-133.6 158.5 29.5 15.8 84.7 42 42 A K - 0 0 11 -13,-1.3 32,-1.9 -2,-0.3 2,-0.1 -0.239 50.3-112.9 -57.1 143.2 33.2 16.2 85.4 43 43 A P B -H 73 0B 0 0, 0.0 3,-0.5 0, 0.0 2,-0.4 -0.421 24.7-116.2 -79.5 156.2 34.3 19.7 86.4 44 44 A S S S+ 0 0 51 28,-4.2 28,-0.4 1,-0.2 3,-0.1 -0.745 93.4 23.4 -92.7 138.5 36.6 21.8 84.2 45 45 A G S S+ 0 0 79 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.832 90.4 120.5 80.1 33.9 40.0 22.8 85.5 46 46 A V - 0 0 11 -3,-0.5 -1,-0.2 -21,-0.1 2,-0.0 -0.970 58.1-130.4-136.1 121.9 40.5 20.0 88.0 47 47 A D >> - 0 0 94 -2,-0.4 4,-2.3 1,-0.1 3,-1.5 -0.344 20.6-126.6 -64.7 146.8 43.3 17.4 88.1 48 48 A Y T 34 S+ 0 0 24 -24,-0.4 -1,-0.1 1,-0.3 -23,-0.1 0.871 110.0 61.1 -61.7 -35.1 42.1 13.8 88.5 49 49 A S T 34 S+ 0 0 106 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.560 114.8 32.5 -70.1 -8.1 44.5 13.5 91.4 50 50 A I T <4 S+ 0 0 109 -3,-1.5 -2,-0.2 2,-0.0 -1,-0.2 0.648 88.8 123.1-115.3 -30.8 42.6 16.2 93.3 51 51 A M < - 0 0 12 -4,-2.3 2,-0.3 1,-0.1 -3,-0.0 0.004 38.0-173.7 -39.2 125.5 39.1 15.6 92.1 52 52 A T > - 0 0 64 1,-0.1 3,-2.3 0, 0.0 4,-0.5 -0.858 40.1-106.4-123.2 159.4 36.4 14.9 94.7 53 53 A A G > S+ 0 0 21 -2,-0.3 3,-1.3 1,-0.3 -43,-0.1 0.831 119.4 61.7 -52.2 -35.1 32.7 13.9 94.4 54 54 A D G 3 S+ 0 0 130 1,-0.3 16,-0.4 15,-0.0 -1,-0.3 0.699 93.0 64.9 -65.6 -20.1 31.8 17.5 95.5 55 55 A D G < S+ 0 0 18 -3,-2.3 -1,-0.3 14,-0.1 2,-0.2 0.666 76.5 107.8 -77.1 -17.0 33.6 18.8 92.4 56 56 A M < - 0 0 0 -3,-1.3 2,-0.3 -4,-0.5 -14,-0.2 -0.459 67.6-135.5 -66.5 127.2 31.0 17.1 90.1 57 57 A V E -C 41 0A 0 -16,-2.2 -16,-2.3 -2,-0.2 2,-0.5 -0.616 4.1-141.4 -90.1 144.8 28.7 19.6 88.5 58 58 A V E -CD 40 68A 0 10,-3.1 9,-1.5 -2,-0.3 10,-1.4 -0.903 25.0-174.2-104.1 123.0 24.9 19.2 88.2 59 59 A V E -CD 39 66A 2 -20,-2.8 -20,-2.3 -2,-0.5 2,-0.4 -0.938 27.5-112.4-125.8 145.3 23.4 20.5 84.9 60 60 A S E > -C 38 0A 20 5,-2.9 4,-2.3 -2,-0.4 -22,-0.2 -0.578 15.7-151.6 -75.3 123.6 19.9 21.0 83.5 61 61 A I T 4 S+ 0 0 20 -24,-1.6 -1,-0.2 -2,-0.4 -23,-0.1 0.885 96.3 41.4 -59.5 -39.8 19.1 18.6 80.7 62 62 A E T 4 S+ 0 0 153 -25,-0.5 -1,-0.2 1,-0.1 -24,-0.1 0.894 131.6 17.7 -78.4 -44.0 16.6 21.1 79.3 63 63 A T T 4 S- 0 0 71 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.599 89.0-127.4-107.4 -13.6 18.4 24.5 79.7 64 64 A G < + 0 0 24 -4,-2.3 2,-0.3 1,-0.3 -3,-0.1 0.663 59.6 146.3 75.4 13.1 22.0 23.5 80.2 65 65 A E - 0 0 128 1,-0.1 -5,-2.9 -5,-0.1 2,-0.8 -0.648 57.8-108.9 -86.8 141.9 22.1 25.6 83.4 66 66 A V E -D 59 0A 76 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.2 -0.587 31.1-175.5 -74.7 108.1 24.2 24.5 86.3 67 67 A V E S- 0 0 63 -9,-1.5 2,-0.2 -2,-0.8 -8,-0.2 0.680 71.4 -1.4 -76.1 -21.7 21.8 23.3 89.1 68 68 A E E S+D 58 0A 69 -10,-1.4 -10,-3.1 1,-0.0 -1,-0.3 -0.836 85.5 93.2-171.8 132.0 24.6 22.7 91.6 69 69 A G - 0 0 36 -2,-0.2 -12,-0.1 -12,-0.2 -14,-0.1 -0.355 46.5-142.5 146.2 133.0 28.3 23.0 91.7 70 70 A A S S+ 0 0 105 -16,-0.4 2,-0.2 -2,-0.1 -15,-0.1 0.782 86.2 72.5 -83.5 -28.6 31.1 25.5 92.6 71 71 A K S S- 0 0 86 -16,-0.1 -26,-0.1 1,-0.1 -25,-0.0 -0.492 91.9-104.8 -88.2 156.2 33.3 24.4 89.7 72 72 A K - 0 0 156 -28,-0.4 -28,-4.2 -2,-0.2 3,-0.1 -0.588 42.4-116.6 -76.6 138.4 32.7 25.2 86.1 73 73 A P B -H 43 0B 33 0, 0.0 -31,-0.1 0, 0.0 -1,-0.1 -0.321 44.4 -72.6 -74.2 161.4 31.5 22.1 84.2 74 74 A S > - 0 0 8 -32,-1.9 3,-2.1 1,-0.2 -30,-0.1 -0.172 40.3-121.8 -51.0 143.3 33.5 20.5 81.4 75 75 A S T 3 S+ 0 0 75 1,-0.3 4,-0.2 2,-0.1 -1,-0.2 0.629 112.1 64.2 -64.7 -11.9 33.6 22.5 78.2 76 76 A D T >> + 0 0 23 1,-0.2 4,-1.7 2,-0.1 3,-0.9 0.404 69.3 108.2 -91.2 1.3 32.1 19.5 76.5 77 77 A T H <> S+ 0 0 11 -3,-2.1 4,-3.1 1,-0.3 5,-0.2 0.848 71.7 56.5 -47.6 -44.6 28.9 19.7 78.5 78 78 A P H 3> S+ 0 0 41 0, 0.0 4,-3.0 0, 0.0 -1,-0.3 0.895 106.6 50.8 -58.4 -38.1 26.7 21.0 75.6 79 79 A T H <> S+ 0 0 1 -3,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.927 112.2 46.4 -63.3 -46.1 27.7 17.9 73.6 80 80 A H H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.956 113.5 49.6 -59.0 -52.3 26.7 15.6 76.5 81 81 A R H X S+ 0 0 49 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.933 110.8 48.9 -52.8 -53.0 23.5 17.5 77.0 82 82 A L H X S+ 0 0 12 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.931 111.1 50.5 -54.9 -49.0 22.6 17.3 73.3 83 83 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 -1,-0.2 0.858 107.2 53.5 -60.5 -37.7 23.2 13.6 73.2 84 84 A Y H < S+ 0 0 0 -4,-2.4 -1,-0.2 2,-0.2 6,-0.2 0.931 112.6 44.4 -64.0 -42.1 21.1 12.9 76.3 85 85 A Q H < S+ 0 0 82 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.927 118.7 43.7 -65.7 -44.5 18.2 14.7 74.7 86 86 A A H < S+ 0 0 38 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.897 116.5 44.9 -68.2 -44.8 18.7 13.0 71.3 87 87 A F >< - 0 0 19 -4,-3.2 3,-1.5 -5,-0.2 -1,-0.2 -0.801 63.2-178.9-108.8 92.7 19.4 9.5 72.7 88 88 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -54,-0.1 0.816 77.6 61.7 -56.2 -36.2 16.7 8.6 75.3 89 89 A S T 3 S+ 0 0 75 2,-0.0 2,-0.3 0, 0.0 -5,-0.1 0.399 84.1 95.8 -77.1 2.8 18.2 5.1 76.0 90 90 A I < + 0 0 6 -3,-1.5 88,-0.2 -6,-0.2 3,-0.1 -0.754 41.0 176.3 -98.9 143.6 21.6 6.3 77.2 91 91 A G + 0 0 12 86,-3.4 -59,-2.2 -2,-0.3 89,-0.4 0.493 67.3 27.7-118.5 -8.7 22.5 6.8 80.9 92 92 A G E -AE 31 177A 0 85,-1.6 85,-1.9 87,-0.4 2,-0.4 -0.994 60.2-154.8-153.5 150.3 26.1 7.8 80.7 93 93 A I E -AE 30 176A 0 -63,-2.4 -63,-1.9 -2,-0.3 2,-0.4 -0.991 4.6-167.4-134.9 133.4 28.6 9.5 78.3 94 94 A V E -AE 29 175A 1 81,-3.6 81,-3.1 -2,-0.4 2,-0.4 -0.945 4.0-177.6-119.7 136.8 32.3 9.2 77.9 95 95 A H E +AE 28 174A 4 -67,-2.1 -67,-2.2 -2,-0.4 2,-0.3 -0.996 18.5 145.3-133.0 126.8 34.6 11.5 75.9 96 96 A T - 0 0 3 77,-1.4 -74,-0.1 -2,-0.4 -2,-0.0 -0.887 51.7-127.7-147.1 177.2 38.3 11.0 75.6 97 97 A H + 0 0 66 -76,-0.6 5,-0.1 -2,-0.3 -75,-0.1 -0.274 41.0 178.2-120.9 38.7 41.1 11.3 73.1 98 98 A S > - 0 0 2 75,-0.1 4,-2.4 1,-0.1 3,-0.4 -0.230 36.4-117.4 -48.1 125.8 42.2 7.7 73.6 99 99 A R H > S+ 0 0 190 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.804 102.1 38.1 -35.6 -60.8 45.1 7.3 71.2 100 100 A H H > S+ 0 0 37 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.859 116.5 47.9 -72.4 -33.9 44.0 4.7 68.8 101 101 A A H > S+ 0 0 0 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.866 113.3 52.5 -70.7 -33.4 40.3 5.7 68.4 102 102 A T H X S+ 0 0 10 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.808 101.6 58.9 -70.4 -30.4 41.6 9.2 67.9 103 103 A I H X S+ 0 0 80 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 0.932 109.3 44.4 -63.7 -44.0 44.0 8.0 65.2 104 104 A W H X>S+ 0 0 8 -4,-1.5 5,-2.1 2,-0.2 4,-0.9 0.928 112.6 52.0 -64.9 -44.3 40.9 6.7 63.3 105 105 A A H ><5S+ 0 0 0 -4,-2.2 65,-2.3 1,-0.2 3,-0.9 0.931 111.0 47.0 -57.3 -47.1 39.0 10.0 64.1 106 106 A Q H 3<5S+ 0 0 130 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.808 110.2 53.0 -65.4 -30.0 42.0 12.0 62.7 107 107 A A H 3<5S- 0 0 55 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.646 109.1-130.7 -78.2 -14.2 42.1 9.8 59.7 108 108 A G T <<5 + 0 0 25 -4,-0.9 2,-0.3 -3,-0.9 -3,-0.2 0.792 61.7 135.0 69.4 27.9 38.4 10.5 59.2 109 109 A Q < - 0 0 73 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.2 -0.852 55.0-124.1-115.1 148.3 37.7 6.8 58.9 110 110 A S - 0 0 44 -2,-0.3 15,-0.0 18,-0.1 56,-0.0 -0.618 27.9-117.9 -85.9 144.3 35.1 4.5 60.4 111 111 A I B -I 126 0C 1 15,-2.0 15,-3.1 -2,-0.3 2,-0.1 -0.733 30.1-145.5 -86.0 110.0 36.1 1.4 62.3 112 112 A P - 0 0 31 0, 0.0 2,-0.8 0, 0.0 13,-0.1 -0.456 21.0-109.3 -75.3 145.8 34.8 -1.7 60.5 113 113 A A + 0 0 3 1,-0.2 97,-2.7 -2,-0.1 12,-0.1 -0.655 53.5 151.4 -77.6 110.0 33.7 -4.7 62.5 114 114 A T + 0 0 51 -2,-0.8 2,-0.3 95,-0.2 -1,-0.2 0.336 56.8 41.8-120.8 3.7 36.4 -7.4 61.9 115 115 A G S > S- 0 0 25 95,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.971 74.9-116.9-149.8 164.7 36.2 -9.3 65.1 116 116 A T H > S+ 0 0 51 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.797 112.1 65.1 -69.5 -28.1 34.0 -10.8 67.8 117 117 A T H 4 S+ 0 0 60 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.952 108.8 39.2 -56.8 -49.9 35.6 -8.5 70.3 118 118 A H H >> S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 3,-1.8 0.926 111.8 57.7 -65.4 -46.9 34.0 -5.6 68.4 119 119 A A H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.799 97.0 63.8 -56.4 -31.3 30.8 -7.5 67.8 120 120 A N T 3< S+ 0 0 33 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.727 121.1 17.1 -67.3 -21.3 30.3 -8.0 71.5 121 121 A Y T <4 S+ 0 0 67 -3,-1.8 2,-0.5 -4,-0.4 -2,-0.2 0.647 123.1 46.2-124.9 -23.9 29.9 -4.2 72.1 122 122 A F < - 0 0 0 -4,-2.8 2,-2.3 41,-0.1 -1,-0.3 -0.979 69.1-140.1-129.3 119.9 29.2 -2.4 68.8 123 123 A Y S S- 0 0 63 39,-2.7 2,-0.2 -2,-0.5 36,-0.1 -0.429 72.9 -36.7 -79.0 70.6 26.6 -3.7 66.4 124 124 A G S S+ 0 0 11 -2,-2.3 -13,-0.1 -6,-0.1 2,-0.0 -0.735 109.6 5.1 117.0-165.9 28.5 -3.0 63.2 125 125 A T - 0 0 60 -2,-0.2 -2,-0.1 -12,-0.1 -15,-0.0 -0.288 64.5-129.9 -57.8 130.1 30.8 -0.3 61.8 126 126 A I B -I 111 0C 0 -15,-3.1 -15,-2.0 -4,-0.1 40,-0.1 -0.783 36.2-131.1 -84.7 112.2 31.7 2.3 64.4 127 127 A P - 0 0 2 0, 0.0 40,-2.7 0, 0.0 2,-0.4 -0.317 15.0-152.5 -70.2 144.6 31.0 5.5 62.4 128 128 A C B -f 167 0A 12 38,-0.2 40,-0.2 -20,-0.1 -18,-0.1 -0.946 28.3-120.6-111.8 134.9 33.2 8.5 62.0 129 129 A T - 0 0 3 38,-3.2 3,-0.1 -2,-0.4 20,-0.1 -0.230 25.0-103.3 -73.0 166.5 31.4 11.8 61.4 130 130 A R - 0 0 82 18,-0.2 39,-0.3 1,-0.2 -1,-0.1 -0.329 55.9 -78.7 -77.3 169.1 31.7 14.0 58.4 131 131 A K - 0 0 136 1,-0.1 2,-0.2 37,-0.1 -1,-0.2 -0.425 50.1-113.6 -69.7 148.5 33.8 17.1 58.8 132 132 A M - 0 0 26 37,-0.2 2,-0.1 -3,-0.1 -1,-0.1 -0.529 33.6-112.0 -79.5 151.6 32.0 19.9 60.6 133 133 A T > - 0 0 68 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.417 24.8-108.8 -81.7 162.1 31.4 23.0 58.5 134 134 A D H > S+ 0 0 132 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.853 121.5 52.2 -56.7 -35.3 33.1 26.4 59.1 135 135 A A H > S+ 0 0 76 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.918 108.2 48.6 -67.0 -47.2 29.8 27.7 60.4 136 136 A E H >4 S+ 0 0 28 1,-0.2 3,-0.8 2,-0.2 8,-0.2 0.927 113.3 48.2 -59.4 -45.6 29.2 24.8 62.8 137 137 A I H 3< S+ 0 0 70 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.879 115.3 43.1 -63.9 -41.3 32.7 25.2 64.2 138 138 A N H 3< S+ 0 0 141 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.407 113.2 60.8 -87.4 3.5 32.4 28.9 64.7 139 139 A G S << S- 0 0 40 -3,-0.8 2,-1.9 -4,-0.6 3,-0.2 0.305 126.2 -29.2 -98.0-132.3 28.9 28.7 66.1 140 140 A E S > S- 0 0 143 1,-0.2 4,-3.0 2,-0.1 5,-0.3 -0.620 76.2-173.6 -86.8 77.1 27.8 26.9 69.2 141 141 A Y H > S+ 0 0 84 -2,-1.9 4,-2.3 -4,-0.3 -1,-0.2 0.835 71.7 42.8 -40.4 -62.1 30.7 24.4 68.7 142 142 A E H > S+ 0 0 56 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.900 117.7 47.3 -59.3 -41.6 30.2 21.8 71.4 143 143 A W H > S+ 0 0 67 1,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.927 112.2 50.2 -65.1 -43.4 26.4 21.7 70.7 144 144 A E H X S+ 0 0 48 -4,-3.0 4,-2.6 1,-0.3 -2,-0.2 0.840 103.6 59.3 -63.6 -33.9 27.1 21.5 67.0 145 145 A T H X S+ 0 0 2 -4,-2.3 4,-1.6 -5,-0.3 -1,-0.3 0.914 107.1 48.3 -60.5 -40.7 29.5 18.6 67.7 146 146 A G H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.939 109.1 51.7 -65.0 -45.6 26.5 16.9 69.2 147 147 A N H X S+ 0 0 52 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.877 107.7 52.8 -58.7 -38.6 24.3 17.7 66.2 148 148 A V H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.871 108.9 49.8 -65.7 -36.5 26.9 16.2 63.9 149 149 A I H X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.959 113.5 45.5 -65.0 -50.3 27.0 13.0 65.9 150 150 A V H X S+ 0 0 14 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.890 111.9 51.0 -61.0 -42.9 23.2 12.7 65.8 151 151 A E H X S+ 0 0 63 -4,-2.8 4,-3.1 1,-0.2 5,-0.4 0.913 106.5 56.5 -61.7 -41.7 22.9 13.5 62.1 152 152 A T H X S+ 0 0 8 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.937 110.6 43.9 -54.7 -48.3 25.5 10.8 61.4 153 153 A F H <>S+ 0 0 3 -4,-1.9 5,-2.9 2,-0.2 -1,-0.2 0.890 116.6 45.0 -66.6 -40.9 23.3 8.3 63.2 154 154 A E H ><5S+ 0 0 149 -4,-2.5 3,-1.2 3,-0.2 -2,-0.2 0.951 113.4 48.2 -70.0 -47.6 20.1 9.4 61.6 155 155 A K H 3<5S+ 0 0 161 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.904 118.9 40.7 -58.7 -42.6 21.4 9.7 58.0 156 156 A Q T 3<5S- 0 0 117 -4,-1.9 -1,-0.3 -5,-0.4 -2,-0.2 0.375 110.0-124.1 -88.8 5.5 23.0 6.3 58.3 157 157 A G T < 5 + 0 0 66 -3,-1.2 2,-0.5 1,-0.2 -3,-0.2 0.887 52.8 158.8 54.9 44.9 20.1 4.7 60.1 158 158 A I < - 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0 0 29 37,-0.2 2,-0.1 -3,-0.1 -1,-0.1 -0.614 29.6-114.4 -88.6 154.0 81.8 3.3 135.3 357 133 B T > - 0 0 65 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.427 24.2-110.3 -83.0 163.8 84.3 5.3 137.4 358 134 B D H > S+ 0 0 126 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.893 121.0 53.6 -60.0 -41.0 85.2 8.9 136.6 359 135 B A H > S+ 0 0 79 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.896 111.3 46.1 -60.8 -40.5 88.6 7.8 135.5 360 136 B E H 4 S+ 0 0 30 2,-0.2 3,-0.5 1,-0.2 8,-0.2 0.950 116.6 43.6 -67.3 -48.0 87.1 5.3 133.1 361 137 B I H < S+ 0 0 74 -4,-2.9 4,-0.3 1,-0.2 -2,-0.2 0.865 118.1 44.6 -65.7 -38.3 84.5 7.8 131.7 362 138 B N H < S+ 0 0 136 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.561 113.4 57.6 -84.0 -8.6 87.1 10.6 131.4 363 139 B G S < S- 0 0 43 -4,-0.9 2,-1.8 -3,-0.5 3,-0.2 0.413 126.5 -27.5 -90.4-131.3 89.7 8.2 129.9 364 140 B E S > S- 0 0 148 1,-0.2 4,-3.2 -5,-0.1 5,-0.2 -0.636 74.9-172.9 -86.6 78.7 89.3 6.2 126.7 365 141 B Y H > S+ 0 0 81 -2,-1.8 4,-2.4 -4,-0.3 5,-0.2 0.871 73.1 40.6 -40.4 -69.2 85.5 6.0 127.2 366 142 B E H > S+ 0 0 56 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.884 118.8 48.3 -54.4 -40.9 84.3 3.6 124.5 367 143 B W H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.939 111.8 50.1 -64.1 -45.4 87.3 1.3 125.1 368 144 B E H X S+ 0 0 46 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.816 102.3 60.2 -62.5 -34.3 86.7 1.4 128.8 369 145 B T H X S+ 0 0 2 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.917 105.9 49.9 -60.7 -40.0 83.0 0.6 128.3 370 146 B G H X S+ 0 0 0 -4,-1.4 4,-2.5 -3,-0.2 -2,-0.2 0.916 108.3 52.3 -63.5 -43.0 84.3 -2.6 126.7 371 147 B N H X S+ 0 0 56 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.904 108.5 50.2 -59.6 -43.3 86.6 -3.3 129.7 372 148 B V H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.872 109.5 51.3 -64.8 -36.0 83.7 -2.9 132.1 373 149 B I H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.948 112.8 45.6 -65.3 -46.7 81.6 -5.4 130.1 374 150 B V H X S+ 0 0 16 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.933 111.3 52.0 -61.6 -46.2 84.5 -7.9 130.1 375 151 B E H X S+ 0 0 53 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.882 106.0 56.3 -58.1 -38.8 85.1 -7.4 133.8 376 152 B T H X S+ 0 0 5 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.906 110.1 43.9 -60.5 -43.6 81.4 -8.0 134.5 377 153 B F H X>S+ 0 0 2 -4,-1.7 5,-2.7 2,-0.2 4,-0.5 0.948 116.3 45.2 -67.9 -48.8 81.5 -11.4 132.7 378 154 B E H ><5S+ 0 0 146 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.945 112.7 50.3 -60.0 -50.4 84.7 -12.5 134.4 379 155 B K H 3<5S+ 0 0 151 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.807 117.4 40.4 -58.7 -33.5 83.8 -11.4 137.9 380 156 B Q H 3<5S- 0 0 119 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.373 110.7-119.8 -98.9 5.1 80.4 -13.2 137.6 381 157 B G T <<5 + 0 0 69 -3,-1.3 2,-0.4 -4,-0.5 -3,-0.2 0.919 57.7 154.5 59.2 47.3 81.8 -16.3 135.9 382 158 B I < - 0 0 38 -5,-2.7 2,-0.5 -6,-0.1 -1,-0.2 -0.901 41.1-131.2-113.3 136.9 79.7 -15.9 132.8 383 159 B D >> - 0 0 82 -2,-0.4 3,-2.0 1,-0.1 4,-1.2 -0.738 4.2-148.2 -88.6 121.5 80.6 -17.3 129.4 384 160 B A T 34 S+ 0 0 7 -2,-0.5 -1,-0.1 1,-0.3 16,-0.1 0.742 99.5 59.9 -57.8 -24.7 80.2 -14.8 126.5 385 161 B A T 34 S+ 0 0 51 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.660 111.7 38.3 -78.7 -17.4 79.4 -17.8 124.3 386 162 B Q T <4 S+ 0 0 71 -3,-2.0 -39,-2.7 1,-0.2 -2,-0.2 0.517 118.1 50.1-107.1 -10.8 76.3 -18.6 126.4 387 163 B M < + 0 0 2 -4,-1.2 2,-1.0 -41,-0.2 -1,-0.2 -0.731 61.1 179.1-132.4 82.7 75.3 -15.0 127.1 388 164 B P + 0 0 10 0, 0.0 12,-1.7 0, 0.0 2,-0.3 -0.081 62.5 57.0 -76.2 36.7 75.1 -13.0 123.9 389 165 B G E + P 0 399D 0 -2,-1.0 2,-0.3 10,-0.3 10,-0.2 -0.992 50.8 177.4-164.0 157.7 74.0 -9.8 125.6 390 166 B V E - P 0 398D 0 8,-2.1 8,-2.4 -2,-0.3 2,-0.5 -0.968 23.3-133.6-161.5 146.8 74.8 -7.3 128.3 391 167 B L E -oP 352 397D 0 -40,-3.2 -38,-3.2 -2,-0.3 2,-0.7 -0.929 18.0-144.9-107.6 124.1 73.3 -4.1 129.6 392 168 B V E >> - 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0 0 2 75,-0.1 4,-2.5 1,-0.1 3,-0.3 -0.316 37.2-116.0 -53.3 126.9 65.0 5.4 212.9 771 99 D R H > S+ 0 0 183 -79,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.779 102.6 36.6 -35.3 -62.2 62.1 5.6 215.3 772 100 D H H > S+ 0 0 39 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.874 116.6 49.9 -71.3 -36.4 62.7 2.8 217.8 773 101 D A H > S+ 0 0 0 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.904 113.5 50.0 -65.3 -37.5 66.5 3.1 218.1 774 102 D T H X S+ 0 0 10 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.810 102.5 59.8 -70.2 -29.9 65.9 6.8 218.6 775 103 D I H X S+ 0 0 85 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.947 109.1 44.4 -62.3 -43.9 63.3 6.1 221.3 776 104 D W H X>S+ 0 0 9 -4,-1.8 5,-2.1 1,-0.2 4,-0.6 0.900 112.2 51.9 -65.6 -41.4 66.1 4.3 223.2 777 105 D A H ><5S+ 0 0 0 -4,-2.1 65,-2.9 1,-0.2 3,-0.5 0.871 109.9 48.5 -63.7 -38.2 68.6 7.1 222.5 778 106 D Q H 3<5S+ 0 0 128 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.829 109.6 53.3 -71.4 -29.8 66.1 9.7 223.8 779 107 D A H 3<5S- 0 0 57 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.590 109.0-129.1 -77.9 -12.5 65.5 7.5 226.9 780 108 D G T <<5 + 0 0 26 -4,-0.6 2,-0.4 -3,-0.5 -3,-0.2 0.833 62.9 132.7 67.0 32.8 69.3 7.5 227.4 781 109 D Q < - 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0 0 0 -4,-3.0 2,-2.5 41,-0.1 -1,-0.2 -0.950 68.1-142.0-129.0 114.6 75.9 -7.0 217.9 795 123 D Y S S- 0 0 62 39,-2.6 2,-0.3 -2,-0.5 -4,-0.1 -0.383 73.3 -32.3 -74.2 69.9 78.2 -8.8 220.3 796 124 D G S S- 0 0 13 -2,-2.5 2,-0.1 -6,-0.1 -13,-0.1 -0.766 109.8 -1.7 120.2-166.8 76.5 -7.6 223.5 797 125 D T - 0 0 58 -2,-0.3 -2,-0.1 -12,-0.1 -15,-0.0 -0.369 65.6-126.4 -62.1 134.2 74.6 -4.6 224.8 798 126 D I B -J 783 0L 0 -15,-2.7 -15,-2.2 -2,-0.1 40,-0.1 -0.778 37.3-127.5 -85.4 111.9 74.3 -1.8 222.2 799 127 D P - 0 0 2 0, 0.0 40,-3.0 0, 0.0 2,-0.4 -0.300 16.3-153.8 -67.5 140.9 75.7 1.2 224.2 800 128 D C B -g 839 0J 12 38,-0.2 40,-0.2 -20,-0.1 -18,-0.2 -0.926 28.4-122.1-108.4 135.1 74.0 4.5 224.7 801 129 D T - 0 0 3 38,-2.9 20,-0.1 -2,-0.4 40,-0.1 -0.267 25.1-100.4 -74.9 164.9 76.5 7.4 225.2 802 130 D R - 0 0 82 18,-0.2 39,-0.3 1,-0.1 -1,-0.1 -0.229 53.4 -82.7 -72.5 171.1 76.6 9.6 228.3 803 131 D K - 0 0 130 1,-0.1 2,-0.2 37,-0.1 -1,-0.1 -0.486 51.8-111.8 -74.2 151.5 75.1 13.1 227.9 804 132 D M - 0 0 29 37,-0.2 2,-0.1 -2,-0.1 -1,-0.1 -0.532 28.5-113.1 -84.5 154.1 77.4 15.6 226.3 805 133 D T > - 0 0 67 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.376 26.7-110.3 -79.7 163.7 78.9 18.5 228.3 806 134 D D H > S+ 0 0 127 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.899 120.8 52.6 -61.3 -40.6 77.9 22.1 227.5 807 135 D A H > S+ 0 0 80 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.883 109.9 48.8 -61.9 -39.6 81.5 22.8 226.2 808 136 D E H >4 S+ 0 0 26 2,-0.2 3,-0.6 1,-0.2 8,-0.2 0.914 114.7 44.3 -66.8 -43.7 81.2 19.7 223.9 809 137 D I H 3< S+ 0 0 76 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.877 116.9 45.9 -69.3 -37.6 77.8 20.8 222.6 810 138 D N H 3< S+ 0 0 132 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.430 112.2 55.4 -87.3 1.4 78.9 24.4 222.2 811 139 D G S << S- 0 0 48 -3,-0.6 2,-1.6 -4,-0.5 3,-0.1 0.325 127.6 -26.4 -99.5-128.1 82.2 23.6 220.5 812 140 D E S > S- 0 0 140 1,-0.2 4,-3.3 -5,-0.1 5,-0.3 -0.663 72.2-172.3 -90.3 81.6 82.5 21.4 217.4 813 141 D Y H > S+ 0 0 77 -2,-1.6 4,-2.6 -4,-0.4 -1,-0.2 0.870 75.7 40.8 -40.6 -64.1 79.2 19.6 218.1 814 142 D E H > S+ 0 0 56 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.907 118.0 48.1 -57.8 -44.8 79.3 16.9 215.4 815 143 D W H > S+ 0 0 52 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.916 112.7 49.5 -62.8 -41.3 83.0 16.2 215.9 816 144 D E H X S+ 0 0 44 -4,-3.3 4,-2.9 -8,-0.2 5,-0.2 0.861 102.5 60.1 -66.4 -36.2 82.5 16.0 219.6 817 145 D T H X S+ 0 0 2 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.926 105.7 50.9 -57.1 -39.5 79.6 13.6 219.1 818 146 D G H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.929 108.3 50.3 -62.9 -45.3 82.2 11.4 217.5 819 147 D N H X S+ 0 0 54 -4,-1.7 4,-3.2 1,-0.2 -2,-0.2 0.918 109.5 51.0 -59.0 -45.7 84.6 11.8 220.5 820 148 D V H X S+ 0 0 2 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.872 109.5 49.9 -61.6 -39.1 81.9 10.9 222.9 821 149 D I H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.969 113.4 46.3 -62.8 -51.5 81.0 7.7 221.0 822 150 D V H X S+ 0 0 15 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.920 111.6 51.5 -55.8 -46.2 84.7 6.8 220.9 823 151 D E H X S+ 0 0 48 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.858 106.5 55.8 -60.0 -35.3 85.1 7.5 224.6 824 152 D T H X S+ 0 0 6 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.2 0.930 111.3 41.9 -63.5 -46.5 82.0 5.3 225.3 825 153 D F H X>S+ 0 0 3 -4,-2.0 5,-2.4 2,-0.2 4,-0.5 0.918 115.2 51.5 -67.4 -43.7 83.6 2.3 223.5 826 154 D E H ><5S+ 0 0 147 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.952 112.0 43.4 -59.8 -52.9 87.0 3.0 225.1 827 155 D K H 3<5S+ 0 0 154 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.690 116.9 46.9 -69.8 -17.6 85.9 3.2 228.7 828 156 D Q H 3<5S- 0 0 120 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.360 109.0-119.6-103.9 4.4 83.6 0.2 228.5 829 157 D G T <<5 + 0 0 73 -3,-1.1 2,-0.5 -4,-0.5 -3,-0.2 0.886 58.1 153.5 61.5 42.3 86.1 -2.0 226.7 830 158 D I < - 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