==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 26-MAR-02 1L9W . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE AROD; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHI; . AUTHOR W.H.LEE,L.A.PERLES,R.A.P.NAGEM,A.K.SHRIVE,A.HAWKINS,L.SAWYER . 1008 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37740.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 736 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 155 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.6 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 . 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 . 4 0.4 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 . 60 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 348 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 1 0 0 0 3 0 3 3 11 7 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 4 3 13 4 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 123 0, 0.0 2,-0.3 0, 0.0 197,-0.2 0.000 360.0 360.0 360.0-150.9 27.2 90.0 -17.8 2 2 A K - 0 0 105 10,-0.0 2,-0.3 2,-0.0 194,-0.0 -0.940 360.0-130.0-152.7 161.0 24.9 87.0 -17.4 3 3 A T - 0 0 54 -2,-0.3 2,-0.6 195,-0.1 9,-0.2 -0.819 4.8-128.4-127.4 169.7 23.3 85.6 -14.2 4 4 A V E -A 11 0A 7 7,-2.2 7,-3.0 -2,-0.3 2,-0.6 -0.929 18.2-164.8-117.1 119.7 22.8 82.3 -12.4 5 5 A T E +A 10 0A 71 -2,-0.6 2,-0.4 5,-0.2 5,-0.2 -0.903 15.2 166.3-104.5 123.6 19.4 81.2 -11.3 6 6 A V E > -A 9 0A 7 3,-1.5 3,-1.9 -2,-0.6 2,-0.1 -0.989 68.0 -26.9-133.0 126.5 19.1 78.4 -8.8 7 7 A K T 3 S- 0 0 89 -2,-0.4 68,-0.1 1,-0.2 67,-0.0 -0.558 128.4 -36.1 58.2-138.3 15.9 77.7 -7.0 8 8 A N T 3 S+ 0 0 166 66,-0.4 2,-0.5 -2,-0.1 -1,-0.2 0.177 115.0 112.5-101.5 23.9 14.2 81.1 -7.0 9 9 A L E < -A 6 0A 28 -3,-1.9 -3,-1.5 34,-0.1 2,-0.8 -0.810 53.3-154.2-100.9 125.5 17.4 83.0 -6.6 10 10 A I E > -A 5 0A 64 -2,-0.5 3,-0.6 -5,-0.2 2,-0.5 -0.767 13.7-162.1 -98.3 114.2 19.1 85.3 -9.1 11 11 A I E 3 S+A 4 0A 1 -7,-3.0 -7,-2.2 -2,-0.8 3,-0.1 -0.795 74.2 32.1 -93.2 128.3 22.8 85.5 -8.5 12 12 A G T 3 S+ 0 0 37 -2,-0.5 2,-0.3 210,-0.4 -1,-0.2 0.527 102.2 89.9 105.8 10.3 24.6 88.4 -10.1 13 13 A E S < S- 0 0 116 -3,-0.6 -1,-0.4 2,-0.2 -3,-0.1 -0.991 85.8 -15.9-135.0 146.8 21.7 90.9 -9.9 14 14 A G S S+ 0 0 53 -2,-0.3 3,-0.1 -3,-0.1 -2,-0.0 -0.212 112.7 4.7 64.3-143.9 20.7 93.3 -7.2 15 15 A M S S- 0 0 55 1,-0.1 -2,-0.2 -2,-0.0 -3,-0.1 -0.538 91.8 -90.2 -78.7 149.1 22.1 93.1 -3.7 16 16 A P - 0 0 6 0, 0.0 207,-0.3 0, 0.0 2,-0.2 -0.184 43.7-117.6 -60.1 148.7 24.8 90.6 -3.0 17 17 A K E -b 223 0B 25 205,-2.5 207,-2.0 -3,-0.1 2,-0.4 -0.534 23.7-126.3 -88.1 157.2 23.5 87.2 -1.9 18 18 A I E -b 224 0B 6 205,-0.2 26,-1.8 -2,-0.2 25,-1.8 -0.806 21.9-167.5-107.3 127.4 24.4 85.9 1.6 19 19 A I E -bc 225 44B 4 205,-2.8 207,-2.3 -2,-0.4 2,-0.4 -0.945 1.7-169.4-115.1 136.0 26.0 82.5 2.1 20 20 A V E -bc 226 45B 0 24,-1.5 26,-3.4 -2,-0.4 2,-0.5 -0.960 17.0-135.0-117.3 143.0 26.4 80.7 5.4 21 21 A S E - c 0 46B 3 205,-0.5 2,-0.4 -2,-0.4 207,-0.3 -0.884 9.2-151.8-102.6 129.8 28.5 77.6 6.0 22 22 A L E - c 0 47B 0 24,-2.7 26,-2.8 -2,-0.5 2,-0.4 -0.884 16.5-174.2-100.7 129.2 27.1 74.7 8.0 23 23 A M + 0 0 23 -2,-0.4 2,-0.3 24,-0.2 26,-0.1 -0.991 13.0 154.5-129.4 122.9 29.8 72.6 9.7 24 24 A G - 0 0 5 -2,-0.4 29,-0.1 24,-0.4 27,-0.1 -0.998 37.0-140.2-154.0 145.6 29.2 69.4 11.6 25 25 A R S S- 0 0 156 -2,-0.3 28,-3.0 27,-0.2 29,-0.5 0.839 79.8 -1.6 -80.7 -29.4 31.3 66.3 12.5 26 26 A D S > S- 0 0 68 26,-0.2 4,-2.4 27,-0.1 5,-0.1 -0.727 90.8 -74.7-149.5-176.4 28.9 63.5 12.1 27 27 A I H > S+ 0 0 55 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.833 122.1 50.1 -64.7 -35.5 25.2 62.9 11.2 28 28 A N H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.866 114.1 43.7 -77.7 -29.8 23.6 64.1 14.5 29 29 A S H > S+ 0 0 38 2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.924 111.8 55.0 -78.2 -31.8 25.5 67.3 14.7 30 30 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.927 111.9 44.9 -55.6 -45.2 24.8 67.9 11.0 31 31 A K H X S+ 0 0 105 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.931 113.6 48.1 -62.1 -48.6 21.1 67.4 11.8 32 32 A A H >X S+ 0 0 52 -4,-2.1 4,-2.6 2,-0.2 3,-0.7 0.979 113.7 47.1 -58.4 -55.2 21.2 69.7 14.9 33 33 A E H 3X S+ 0 0 47 -4,-3.0 4,-2.4 1,-0.3 -1,-0.2 0.888 109.7 54.1 -55.7 -43.3 23.0 72.4 13.0 34 34 A A H 3X S+ 0 0 1 -4,-2.5 4,-0.6 -5,-0.4 -1,-0.3 0.842 109.6 47.9 -60.9 -34.9 20.6 72.1 10.1 35 35 A L H X< S+ 0 0 60 -4,-1.8 3,-0.5 -3,-0.7 4,-0.3 0.922 111.9 49.5 -71.4 -38.8 17.6 72.6 12.5 36 36 A A H >< S+ 0 0 46 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.911 109.2 51.4 -63.3 -42.9 19.2 75.6 14.1 37 37 A Y H >< S+ 0 0 2 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.644 89.3 78.9 -71.5 -20.7 20.0 77.3 10.8 38 38 A R T << S+ 0 0 130 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.720 90.3 57.6 -60.1 -18.0 16.5 76.9 9.6 39 39 A E T < S+ 0 0 150 -3,-1.4 -1,-0.3 -4,-0.3 2,-0.2 0.218 93.0 83.1 -98.0 12.7 15.7 79.9 11.9 40 40 A A S < S- 0 0 32 -3,-2.0 2,-0.5 2,-0.0 188,-0.0 -0.662 76.9-120.0-115.5 175.2 18.2 82.4 10.2 41 41 A T + 0 0 76 -2,-0.2 2,-0.3 2,-0.0 202,-0.1 -0.946 53.3 125.5-117.1 121.7 17.8 84.5 7.1 42 42 A F - 0 0 27 -2,-0.5 -23,-0.1 1,-0.1 3,-0.1 -0.925 52.6-129.3-164.2 166.1 20.3 83.9 4.3 43 43 A D S S+ 0 0 54 -25,-1.8 2,-0.4 1,-0.3 -24,-0.2 0.745 84.2 25.8 -98.7 -38.3 20.2 83.1 0.6 44 44 A I E -c 19 0B 3 -26,-1.8 -24,-1.5 31,-0.1 2,-0.6 -0.999 64.8-143.1-136.3 129.9 22.4 80.0 -0.0 45 45 A L E -cd 20 77B 2 31,-2.5 33,-2.9 -2,-0.4 2,-0.5 -0.904 12.3-162.2 -98.7 131.0 23.5 77.3 2.3 46 46 A E E -cd 21 78B 3 -26,-3.4 -24,-2.7 -2,-0.6 2,-0.6 -0.933 5.7-154.4-103.4 124.6 27.0 76.0 2.0 47 47 A W E -cd 22 79B 1 31,-2.8 33,-2.1 -2,-0.5 2,-1.1 -0.910 10.9-146.4 -99.2 121.5 27.7 72.6 3.6 48 48 A R E > - d 0 80B 16 -26,-2.8 3,-1.3 -2,-0.6 -24,-0.4 -0.799 16.5-174.8 -90.3 100.1 31.4 72.4 4.4 49 49 A V G > S+ 0 0 0 31,-2.7 3,-2.1 -2,-1.1 32,-0.2 0.776 72.1 75.5 -65.5 -24.5 32.0 68.7 3.8 50 50 A D G 3 S+ 0 0 0 30,-0.7 -1,-0.3 1,-0.3 31,-0.1 0.655 91.1 56.1 -67.7 -11.2 35.6 68.9 5.0 51 51 A H G < S+ 0 0 37 -3,-1.3 2,-0.5 38,-0.1 -1,-0.3 0.532 83.2 99.0 -91.1 -14.3 34.4 69.1 8.7 52 52 A F X - 0 0 1 -3,-2.1 3,-0.5 -4,-0.2 -27,-0.2 -0.680 63.8-156.7 -76.5 119.5 32.4 65.8 8.3 53 53 A M T 3 S+ 0 0 92 -28,-3.0 2,-0.4 -2,-0.5 3,-0.3 0.754 80.0 64.9 -73.3 -18.8 34.6 63.1 9.9 54 54 A D T > + 0 0 75 -29,-0.5 3,-1.2 1,-0.2 7,-0.3 -0.240 54.2 129.4-103.3 52.1 33.2 60.2 8.0 55 55 A I T < + 0 0 16 -3,-0.5 -1,-0.2 -2,-0.4 -2,-0.1 0.582 56.8 79.7 -77.8 -8.0 34.1 61.0 4.4 56 56 A A T 3 S+ 0 0 86 -3,-0.3 2,-0.7 1,-0.2 -1,-0.3 0.812 90.7 63.0 -65.2 -31.4 35.6 57.5 3.8 57 57 A S <> - 0 0 40 -3,-1.2 4,-2.3 1,-0.1 3,-0.2 -0.838 65.6-166.5-100.2 117.8 31.9 56.4 3.4 58 58 A T H > S+ 0 0 51 -2,-0.7 4,-2.9 1,-0.3 5,-0.2 0.882 92.6 56.0 -60.7 -36.9 30.0 58.0 0.4 59 59 A Q H > S+ 0 0 157 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.908 105.8 49.3 -67.3 -38.6 26.8 56.7 1.8 60 60 A S H > S+ 0 0 22 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.959 111.9 50.7 -68.0 -41.3 27.4 58.5 5.1 61 61 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 -7,-0.3 -2,-0.2 0.909 112.6 45.3 -54.5 -51.7 28.2 61.7 3.1 62 62 A L H X S+ 0 0 49 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.843 109.3 55.8 -66.7 -28.0 24.9 61.4 1.1 63 63 A T H X S+ 0 0 53 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.941 107.5 49.4 -67.5 -41.3 22.9 60.6 4.2 64 64 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 3,-0.3 0.967 109.6 51.9 -61.4 -38.6 24.1 63.9 5.8 65 65 A A H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.869 108.1 51.8 -65.8 -38.5 23.2 65.8 2.6 66 66 A R H X S+ 0 0 111 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.881 106.4 53.1 -66.1 -38.3 19.7 64.4 2.7 67 67 A V H X S+ 0 0 20 -4,-1.7 4,-1.7 -3,-0.3 -2,-0.2 0.946 114.8 42.3 -58.7 -45.0 19.2 65.5 6.3 68 68 A I H X S+ 0 0 2 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.899 114.1 50.9 -66.2 -48.6 20.2 69.0 5.4 69 69 A R H < S+ 0 0 29 -4,-2.6 3,-0.5 -5,-0.3 -2,-0.2 0.930 109.7 52.7 -59.4 -41.8 18.1 68.8 2.2 70 70 A D H < S+ 0 0 90 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.829 108.9 46.3 -62.4 -44.6 15.2 67.7 4.2 71 71 A A H < S+ 0 0 21 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.561 128.3 25.5 -71.4 -18.2 15.2 70.5 6.8 72 72 A M >< + 0 0 7 -4,-1.1 3,-0.9 -3,-0.5 -1,-0.2 -0.485 69.4 160.8-145.3 65.3 15.6 73.3 4.2 73 73 A P T 3 S+ 0 0 84 0, 0.0 4,-0.1 0, 0.0 -4,-0.1 0.483 71.7 52.9 -66.5 -14.2 14.2 72.0 0.9 74 74 A D T 3 S+ 0 0 119 2,-0.1 -66,-0.4 -67,-0.0 -5,-0.1 0.424 87.9 88.4-110.7 5.4 13.8 75.4 -0.7 75 75 A I S < S- 0 0 30 -3,-0.9 -31,-0.1 -6,-0.1 -68,-0.1 -0.770 85.6-103.8-100.5 140.9 17.2 76.9 -0.4 76 76 A P - 0 0 7 0, 0.0 -31,-2.5 0, 0.0 2,-0.5 -0.342 37.8-147.2 -57.2 133.7 20.0 76.5 -2.9 77 77 A L E -d 45 0B 2 -33,-0.2 34,-2.8 -4,-0.1 35,-1.7 -0.961 10.1-163.4-117.9 115.0 22.5 74.0 -1.5 78 78 A L E -de 46 112B 4 -33,-2.9 -31,-2.8 -2,-0.5 2,-0.7 -0.840 9.5-149.3-100.6 125.0 26.2 74.4 -2.3 79 79 A F E +de 47 113B 0 33,-2.4 35,-2.4 -2,-0.5 2,-0.5 -0.874 22.6 175.4-101.6 118.5 28.4 71.3 -1.6 80 80 A T E -d 48 0B 0 -33,-2.1 -31,-2.7 -2,-0.7 2,-0.8 -0.941 23.9-176.8-134.4 114.7 31.9 72.2 -0.7 81 81 A F - 0 0 0 -2,-0.5 2,-0.7 33,-0.4 -33,-0.1 -0.919 23.4-157.2-102.1 106.5 34.7 70.0 0.4 82 82 A R - 0 0 7 -2,-0.8 8,-0.5 5,-0.1 7,-0.2 -0.815 15.6-132.4 -86.0 121.7 37.5 72.6 1.1 83 83 A S > > - 0 0 11 -2,-0.7 5,-2.5 5,-0.1 3,-1.1 -0.273 16.6-113.5 -76.6 158.4 40.9 70.9 0.9 84 84 A A G > 5S+ 0 0 40 6,-0.7 3,-1.5 1,-0.3 7,-0.1 0.823 114.5 57.0 -65.7 -28.5 43.5 71.3 3.6 85 85 A K G 3 5S+ 0 0 156 1,-0.3 -1,-0.3 2,-0.1 60,-0.3 0.730 108.0 50.3 -76.4 -14.6 45.9 73.2 1.4 86 86 A E G < 5S- 0 0 10 -3,-1.1 -1,-0.3 58,-0.1 -2,-0.2 0.072 137.2 -79.0-107.2 26.4 43.2 75.7 0.6 87 87 A G T < 5S+ 0 0 32 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.339 88.1 133.7 104.5 -2.9 42.3 76.3 4.3 88 88 A G < - 0 0 12 -5,-2.5 -1,-0.2 2,-0.1 -5,-0.1 -0.185 61.8-113.2 -84.4 174.3 40.1 73.3 5.0 89 89 A E S S+ 0 0 119 -7,-0.2 2,-0.3 1,-0.1 -6,-0.1 0.627 87.4 26.7 -80.3 -21.4 40.0 70.7 7.9 90 90 A Q - 0 0 38 -8,-0.5 -6,-0.7 2,-0.0 2,-0.4 -0.975 66.6-127.1-146.0 150.7 41.1 67.4 6.3 91 91 A T + 0 0 115 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.1 -0.835 29.3 171.9 -95.5 138.6 43.2 66.1 3.4 92 92 A I - 0 0 30 -2,-0.4 2,-0.2 -37,-0.0 -8,-0.1 -0.880 38.1 -93.5-136.6 162.2 41.8 63.7 0.9 93 93 A T > - 0 0 79 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.434 31.0-116.3 -70.3 152.5 43.3 62.4 -2.3 94 94 A T H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.911 116.1 53.1 -49.5 -49.3 42.5 64.1 -5.6 95 95 A Q H > S+ 0 0 135 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.902 109.5 46.6 -58.4 -42.7 40.8 60.9 -6.8 96 96 A H H > S+ 0 0 43 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.952 110.6 53.8 -70.0 -37.4 38.5 60.7 -3.8 97 97 A Y H X S+ 0 0 9 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.898 110.8 44.8 -66.7 -36.6 37.6 64.4 -4.0 98 98 A L H X S+ 0 0 22 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.908 113.9 51.3 -75.6 -30.0 36.5 64.1 -7.7 99 99 A T H X S+ 0 0 76 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.945 110.2 48.6 -68.7 -50.0 34.6 60.9 -6.9 100 100 A L H X S+ 0 0 1 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.876 111.0 49.3 -57.8 -40.9 32.8 62.6 -4.0 101 101 A N H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.902 111.9 50.1 -70.3 -38.5 31.8 65.6 -6.1 102 102 A R H X S+ 0 0 97 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.896 110.0 49.8 -63.1 -37.8 30.6 63.3 -8.8 103 103 A A H X S+ 0 0 17 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.878 109.6 52.5 -68.1 -39.0 28.5 61.3 -6.2 104 104 A A H < S+ 0 0 1 -4,-2.2 6,-0.6 1,-0.2 5,-0.5 0.882 111.3 45.5 -59.7 -49.8 27.1 64.6 -5.0 105 105 A I H >< S+ 0 0 6 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.941 114.3 49.1 -59.2 -42.9 26.0 65.6 -8.5 106 106 A D H 3< S+ 0 0 85 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.743 99.6 68.1 -66.8 -26.5 24.6 62.1 -9.1 107 107 A S T 3< S- 0 0 35 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.609 93.0-138.4 -68.1 -24.5 22.6 62.1 -5.8 108 108 A G S < S+ 0 0 63 -3,-1.2 -3,-0.1 -4,-0.4 -2,-0.1 0.495 75.5 107.4 70.3 9.8 20.2 64.9 -6.9 109 109 A L + 0 0 32 -5,-0.5 2,-0.3 2,-0.0 -4,-0.1 0.628 66.4 56.5 -91.9 -10.7 20.6 66.5 -3.4 110 110 A V - 0 0 9 -6,-0.6 -32,-0.2 -5,-0.1 3,-0.1 -0.785 55.5-159.0-124.3 152.9 22.7 69.6 -4.1 111 111 A D S S+ 0 0 26 -34,-2.8 26,-2.1 1,-0.4 2,-0.3 0.549 79.9 15.8 -98.8 -27.3 22.2 72.5 -6.5 112 112 A M E -ef 78 137B 3 -35,-1.7 -33,-2.4 24,-0.2 -1,-0.4 -0.975 61.7-156.1-140.7 154.9 25.8 73.6 -6.8 113 113 A I E -ef 79 138B 0 24,-1.9 26,-2.6 -2,-0.3 2,-0.5 -0.916 17.4-129.3-127.6 164.8 29.2 72.2 -6.0 114 114 A D E - f 0 139B 0 -35,-2.4 2,-0.4 -2,-0.3 -33,-0.4 -0.881 22.3-171.2-107.5 130.4 32.5 74.0 -5.3 115 115 A L E - f 0 140B 0 24,-2.4 26,-2.5 -2,-0.5 2,-0.5 -0.992 22.0-129.1-124.5 128.8 35.6 72.9 -7.3 116 116 A E E > - f 0 141B 2 -2,-0.4 3,-2.1 24,-0.2 4,-0.3 -0.577 13.4-140.6 -81.4 123.4 39.1 74.1 -6.5 117 117 A L G > S+ 0 0 4 24,-3.1 3,-1.1 -2,-0.5 7,-0.2 0.857 98.2 57.3 -45.9 -50.7 40.8 75.5 -9.5 118 118 A F G 3 S+ 0 0 118 23,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.289 75.6 96.1 -77.9 10.1 44.2 74.1 -8.7 119 119 A T G < S- 0 0 23 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.1 0.893 108.9 -77.9 -59.9 -40.7 42.8 70.5 -8.5 120 120 A G <> - 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0 0 95 29,-0.0 27,-1.1 33,-0.0 -1,-0.2 -0.875 62.0-107.6-155.0 170.5 35.8 115.1 -11.0 401 148 B T - 0 0 12 -2,-0.3 3,-0.1 25,-0.2 28,-0.1 -0.965 32.1-142.4-107.8 115.1 38.3 113.1 -9.0 402 149 B P - 0 0 8 0, 0.0 -5,-0.0 0, 0.0 24,-0.0 -0.219 38.4 -84.2 -64.5 161.2 41.9 114.3 -9.2 403 150 B S > - 0 0 67 1,-0.1 4,-2.1 4,-0.0 5,-0.1 -0.181 40.4-106.8 -59.8 170.8 44.6 111.6 -9.3 404 151 B A H > S+ 0 0 22 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.898 121.6 55.8 -66.6 -44.0 45.8 110.1 -6.0 405 152 B E H > S+ 0 0 133 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.971 107.6 47.2 -53.8 -54.1 49.0 112.0 -6.4 406 153 B E H > S+ 0 0 74 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.885 112.0 51.3 -55.2 -48.4 47.2 115.4 -6.7 407 154 B M H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.902 108.1 49.8 -60.6 -49.4 45.0 114.6 -3.7 408 155 B V H X S+ 0 0 4 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.895 109.6 52.5 -57.5 -36.8 47.9 113.7 -1.4 409 156 B S H X S+ 0 0 56 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.914 109.5 49.3 -63.7 -39.2 49.8 117.0 -2.3 410 157 B R H X S+ 0 0 37 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.967 112.1 47.5 -62.9 -52.0 46.7 119.0 -1.5 411 158 B L H X S+ 0 0 1 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.846 113.4 48.1 -58.0 -42.9 46.3 117.3 1.8 412 159 B R H X S+ 0 0 117 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.852 106.6 57.5 -65.3 -36.3 50.1 117.8 2.5 413 160 B K H X S+ 0 0 74 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.928 105.8 50.8 -57.3 -36.9 49.7 121.5 1.5 414 161 B M H <>S+ 0 0 0 -4,-2.0 5,-2.8 2,-0.2 -1,-0.2 0.824 109.7 50.1 -73.5 -31.5 47.0 121.9 4.3 415 162 B Q H ><5S+ 0 0 25 -4,-1.2 3,-1.4 1,-0.2 -1,-0.2 0.906 108.8 51.2 -74.4 -44.0 49.3 120.3 6.8 416 163 B A H 3<5S+ 0 0 85 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.880 107.2 55.3 -59.2 -32.9 52.2 122.7 5.8 417 164 B L T 3<5S- 0 0 19 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.548 122.9-103.1 -83.3 3.3 49.8 125.7 6.2 418 165 B G T < 5 + 0 0 17 -3,-1.4 -3,-0.2 1,-0.2 -27,-0.2 0.615 59.6 163.5 88.4 15.6 48.9 124.7 9.8 419 166 B A < - 0 0 0 -5,-2.8 -1,-0.2 1,-0.2 -27,-0.1 -0.381 32.1-150.5 -59.2 142.3 45.5 123.1 9.4 420 167 B D S S+ 0 0 30 -29,-1.2 -28,-0.2 1,-0.3 -1,-0.2 0.848 89.4 21.0 -81.1 -32.2 44.5 121.1 12.5 421 168 B I E S-p 392 0E 3 -30,-2.2 -28,-1.0 30,-0.1 -1,-0.3 -0.726 76.7-151.9-139.7 105.7 42.4 118.8 10.3 422 169 B P E -p 393 0E 0 0, 0.0 32,-2.6 0, 0.0 2,-0.4 -0.328 19.5-172.9 -68.8 147.1 42.9 118.5 6.5 423 170 B K E +pq 394 454E 9 -30,-2.0 -28,-0.6 30,-0.2 2,-0.3 -0.999 13.2 177.6-149.7 138.5 39.8 117.6 4.5 424 171 B I E -pq 395 455E 1 30,-1.8 32,-1.4 -2,-0.4 2,-0.4 -0.990 3.8-174.4-142.5 140.8 39.1 116.8 0.9 425 172 B A E -pq 396 456E 5 -30,-1.8 -28,-2.0 -2,-0.3 2,-0.3 -1.000 11.2-178.6-136.3 129.5 35.8 115.8 -0.9 426 173 B V E -pq 397 457E 0 30,-2.1 32,-3.4 -2,-0.4 -25,-0.2 -0.913 26.8-122.1-131.4 158.5 35.6 114.7 -4.5 427 174 B M - 0 0 32 -30,-1.6 2,-0.2 -27,-1.1 32,-0.1 -0.844 27.6-136.8 -94.8 121.6 33.0 113.6 -7.0 428 175 B P - 0 0 8 0, 0.0 33,-0.1 0, 0.0 34,-0.1 -0.564 17.4-172.8 -76.4 139.0 33.5 110.1 -8.6 429 176 B Q S S+ 0 0 116 -2,-0.2 2,-0.3 1,-0.2 3,-0.1 0.378 77.4 4.3 -97.6 -9.8 32.9 109.8 -12.3 430 177 B S S > S- 0 0 45 1,-0.1 4,-0.9 0, 0.0 3,-0.4 -0.967 84.4 -93.2-160.8 167.8 33.3 106.0 -12.1 431 178 B K H >> S+ 0 0 53 -2,-0.3 4,-1.4 1,-0.2 3,-0.6 0.871 121.6 58.9 -61.2 -33.9 33.8 103.2 -9.6 432 179 B H H 3> S+ 0 0 93 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.847 96.9 61.4 -63.5 -31.2 37.6 103.4 -10.0 433 180 B D H 3> S+ 0 0 23 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.885 100.2 55.2 -60.1 -37.8 37.5 107.0 -8.9 434 181 B V H S+ 0 0 54 -4,-3.1 4,-2.9 2,-0.2 5,-0.5 0.890 112.2 43.6 -56.5 -40.3 48.7 106.8 1.5 444 191 B M H X>S+ 0 0 0 -4,-2.8 5,-3.1 -5,-0.2 4,-1.7 0.946 116.1 47.3 -69.8 -47.3 48.4 110.0 3.4 445 192 B Q H <5S+ 0 0 53 -4,-1.9 -2,-0.2 -5,-0.4 -1,-0.2 0.917 118.5 41.5 -64.8 -36.9 47.5 108.3 6.6 446 193 B Q H <5S+ 0 0 98 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.2 0.927 131.4 15.9 -80.0 -48.4 50.4 105.8 6.3 447 194 B H H <5S+ 0 0 129 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.684 132.6 18.9 -98.7 -30.8 53.2 108.0 5.0 448 195 B Y T < + 0 0 3 -32,-3.4 4,-0.9 -2,-0.5 30,-0.2 -0.091 53.7 30.8 -83.7 179.8 30.5 112.1 -2.9 459 206 B A T 4 S- 0 0 24 28,-1.8 4,-0.4 2,-0.2 3,-0.2 0.128 104.4 -51.0 65.7-179.3 27.3 110.7 -4.5 460 207 B K T >4 S+ 0 0 136 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.933 133.2 52.0 -59.3 -41.3 25.9 107.2 -4.6 461 208 B E T 34 S+ 0 0 53 1,-0.3 3,-0.4 -33,-0.1 -1,-0.2 0.798 108.5 52.1 -66.6 -33.8 29.1 105.5 -5.8 462 209 B G T >X S+ 0 0 0 -4,-0.9 3,-1.2 -3,-0.2 4,-0.7 0.446 74.2 104.8 -83.0 0.9 31.2 107.0 -3.1 463 210 B V H X> S+ 0 0 2 -3,-1.3 3,-1.3 -4,-0.4 4,-0.6 0.885 72.9 63.5 -49.2 -39.3 29.0 106.0 -0.1 464 211 B I H >> S+ 0 0 3 -3,-0.4 4,-2.3 -4,-0.3 3,-1.5 0.917 94.3 62.5 -52.5 -35.6 31.5 103.3 0.9 465 212 B S H <4 S+ 0 0 6 -3,-1.2 -1,-0.3 1,-0.3 4,-0.2 0.862 99.8 53.5 -61.9 -22.9 34.0 106.0 1.6 466 213 B R H << S+ 0 0 4 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.623 114.7 41.8 -83.2 -14.6 31.7 107.4 4.3 467 214 B L H << S+ 0 0 3 -3,-1.5 3,-0.4 -4,-0.6 -2,-0.2 0.665 108.2 55.4-107.3 -20.5 31.6 104.1 6.0 468 215 B A >X + 0 0 2 -4,-2.3 4,-2.0 1,-0.2 3,-1.7 0.260 63.8 114.9-104.5 25.6 35.2 102.8 5.8 469 216 B G H 3> S+ 0 0 8 1,-0.3 4,-1.6 -4,-0.2 5,-0.5 0.761 73.1 61.4 -66.3 -21.6 37.1 105.7 7.4 470 217 B E H 34 S+ 0 0 67 -3,-0.4 -1,-0.3 3,-0.2 -2,-0.1 0.819 112.2 37.7 -71.9 -19.7 38.2 103.5 10.3 471 218 B V H <4 S+ 0 0 20 -3,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.887 125.7 33.0 -91.7 -49.3 40.0 101.1 7.9 472 219 B F H < S- 0 0 2 -4,-2.0 -27,-0.2 -7,-0.1 -3,-0.2 0.565 116.3 -98.1 -92.9 -4.9 41.5 103.5 5.4 473 220 B G < + 0 0 12 -4,-1.6 2,-0.5 -5,-0.3 -20,-0.4 0.655 68.0 141.0 102.2 22.8 42.2 106.5 7.7 474 221 B S - 0 0 7 -5,-0.5 -1,-0.3 -6,-0.1 -20,-0.3 -0.790 36.1-155.7 -90.3 124.4 39.4 109.1 7.5 475 222 B A + 0 0 14 -22,-3.9 -205,-2.4 -2,-0.5 -210,-0.4 0.580 67.9 16.7 -78.6 -12.1 38.7 110.5 10.9 476 223 B A E -k 270 0E 1 -23,-0.3 2,-0.3 -207,-0.3 -21,-0.3 -0.994 60.8-160.4-155.5 161.0 35.2 111.8 10.5 477 224 B T E -k 271 0E 6 -207,-2.7 -205,-3.1 -2,-0.3 2,-0.4 -0.929 20.6-117.6-147.7 157.7 32.2 111.4 8.2 478 225 B F E +k 272 0E 6 -2,-0.3 12,-0.4 -207,-0.2 2,-0.2 -0.905 29.0 176.7-103.1 136.9 29.0 113.3 7.4 479 226 B G - 0 0 1 -207,-2.0 -205,-0.5 -2,-0.4 2,-0.4 -0.648 26.9-116.8-122.9 176.1 25.5 111.9 7.9 480 227 B A B -s 491 0G 10 10,-1.7 12,-2.5 -2,-0.2 13,-0.2 -0.902 13.3-166.2-121.3 141.6 22.1 113.5 7.4 481 228 B V S S- 0 0 38 2,-0.6 -1,-0.2 -2,-0.4 12,-0.1 0.897 87.8 -33.1 -88.3 -60.1 19.5 114.3 10.1 482 229 B K S S+ 0 0 118 1,-0.4 2,-0.3 9,-0.1 -2,-0.1 0.630 133.8 34.1-126.5 -45.5 16.7 115.0 7.7 483 230 B Q S S- 0 0 68 -209,-0.2 -2,-0.6 -207,-0.0 -1,-0.4 -0.840 77.8-120.4-114.8 152.5 18.3 116.6 4.6 484 231 B A - 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0 0 48 -2,-0.3 -4,-0.1 -4,-0.2 -211,-0.0 -0.569 11.8-152.4 -83.7 148.1 10.3 113.3 53.1 738 232 C S S S+ 0 0 23 1,-0.3 -1,-0.1 -2,-0.2 -210,-0.0 0.458 81.8 14.0 -99.8 -9.4 9.0 115.9 50.5 739 233 C A S > S- 0 0 23 3,-0.0 3,-1.3 -8,-0.0 -1,-0.3 -0.965 101.2 -76.0-156.2 151.4 5.8 114.0 50.0 740 234 C P T 3 S+ 0 0 57 0, 0.0 -28,-1.6 0, 0.0 -2,-0.0 -0.244 108.9 27.4 -57.9 137.9 4.0 111.2 51.8 741 235 C G T 3 S+ 0 0 15 1,-0.3 2,-0.3 -30,-0.2 -22,-0.1 0.356 76.7 133.8 98.3 -14.4 5.3 107.7 51.4 742 236 C Q < - 0 0 20 -3,-1.3 -1,-0.3 -10,-0.1 2,-0.2 -0.632 38.2-158.8 -68.2 135.6 9.0 108.3 50.7 743 237 C I - 0 0 20 -12,-0.4 -10,-1.7 -2,-0.3 5,-0.1 -0.708 36.4 -64.4-106.9 168.0 11.4 106.1 52.7 744 238 C A B > -c 733 0K 42 -2,-0.2 4,-3.1 -12,-0.2 5,-0.3 -0.055 43.3-121.0 -60.4 139.7 15.0 106.7 53.5 745 239 C V H > S+ 0 0 6 -12,-2.4 4,-2.3 1,-0.2 -1,-0.1 0.789 110.5 51.8 -47.9 -44.4 17.4 106.7 50.7 746 240 C N H > S+ 0 0 90 -13,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.961 110.8 46.3 -61.4 -48.7 19.5 103.8 52.1 747 241 C D H > S+ 0 0 75 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.968 113.6 51.6 -56.3 -47.2 16.5 101.5 52.6 748 242 C L H X S+ 0 0 1 -4,-3.1 4,-3.0 1,-0.3 -1,-0.2 0.941 110.0 47.0 -56.6 -45.9 15.4 102.5 49.1 749 243 C R H X S+ 0 0 89 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.3 0.906 109.5 54.2 -63.1 -40.7 18.7 101.7 47.4 750 244 C S H X S+ 0 0 64 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.944 110.9 46.2 -60.4 -40.5 19.0 98.4 49.2 751 245 C V H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.936 109.3 54.1 -67.3 -45.1 15.6 97.4 47.9 752 246 C L H X S+ 0 0 3 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.878 110.4 47.1 -56.7 -41.6 16.4 98.6 44.4 753 247 C M H X S+ 0 0 82 -4,-2.2 4,-3.3 -5,-0.2 5,-0.4 0.969 107.6 56.1 -68.6 -36.4 19.6 96.4 44.3 754 248 C I H X S+ 0 0 29 -4,-2.6 4,-2.1 1,-0.3 -2,-0.2 0.960 114.5 39.0 -55.1 -50.9 17.8 93.3 45.6 755 249 C L H < S+ 0 0 14 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.790 115.7 54.1 -65.1 -33.6 15.3 93.5 42.8 756 250 C H H < S+ 0 0 69 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.910 120.1 29.6 -71.3 -39.7 18.0 94.5 40.3 757 251 C N H < 0 0 109 -4,-3.3 -2,-0.2 -5,-0.1 -3,-0.2 0.599 360.0 360.0 -97.7 -13.2 20.2 91.5 41.1 758 252 C A < 0 0 55 -4,-2.1 238,-0.1 -5,-0.4 208,-0.1 -0.045 360.0 360.0 -52.2 360.0 17.7 88.8 42.1 759 !* 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 0.0 760 1 D M 0 0 112 0, 0.0 2,-0.3 0, 0.0 196,-0.1 0.000 360.0 360.0 360.0-164.5 -11.9 86.9 55.2 761 2 D K - 0 0 107 10,-0.0 2,-0.2 2,-0.0 194,-0.0 -0.956 360.0-130.4-159.8 160.1 -10.6 84.7 58.0 762 3 D T - 0 0 51 -2,-0.3 2,-0.4 195,-0.1 9,-0.2 -0.648 13.9-127.5-111.9 175.0 -7.1 83.7 59.3 763 4 D V E -D 770 0L 11 7,-2.3 7,-3.3 -2,-0.2 2,-0.6 -0.996 15.2-154.2-127.5 128.7 -5.6 80.4 60.1 764 5 D T E +D 769 0L 67 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.950 14.3 179.0-110.0 118.1 -3.9 79.8 63.5 765 6 D V E > -D 768 0L 3 3,-2.3 3,-2.8 -2,-0.6 2,-0.2 -1.000 67.8 -42.2-123.0 121.2 -1.2 77.2 63.6 766 7 D K T 3 S- 0 0 96 -2,-0.5 68,-0.1 1,-0.3 67,-0.0 -0.427 126.6 -29.0 55.6-118.5 0.5 76.7 66.9 767 8 D N T 3 S+ 0 0 131 66,-0.2 2,-0.6 -2,-0.2 -1,-0.3 -0.071 115.9 108.9-111.5 24.8 0.9 80.3 68.0 768 9 D L E < -D 765 0L 23 -3,-2.8 -3,-2.3 2,-0.0 2,-0.8 -0.901 55.7-153.2-111.3 120.3 1.1 81.7 64.4 769 10 D I E > -D 764 0L 69 -2,-0.6 3,-0.5 -5,-0.2 2,-0.4 -0.827 14.7-162.5 -92.1 111.9 -1.7 83.7 62.9 770 11 D I E 3 +D 763 0L 1 -7,-3.3 -7,-2.3 -2,-0.8 212,-0.1 -0.791 67.8 34.8 -95.8 128.0 -1.6 83.4 59.2 771 12 D G T 3 S+ 0 0 27 210,-0.5 2,-0.3 -2,-0.4 -1,-0.2 0.507 102.3 74.8 106.6 15.6 -3.5 85.9 57.0 772 13 D E S < S+ 0 0 120 -3,-0.5 -1,-0.4 2,-0.2 -3,-0.0 -0.977 86.3 6.7-152.2 156.3 -3.0 89.1 59.1 773 14 D G S S- 0 0 48 -2,-0.3 3,-0.1 -3,-0.1 -2,-0.1 -0.253 115.0 -4.6 70.0-158.4 -0.1 91.5 59.7 774 15 D M S S- 0 0 37 1,-0.1 -2,-0.2 -3,-0.0 -3,-0.2 -0.444 90.2 -90.4 -64.3 142.0 3.1 91.0 57.6 775 16 D P - 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0 0 79 29,-0.0 27,-0.8 33,-0.0 -1,-0.3 -0.921 62.9-104.7-150.7 174.7 3.3 80.0 31.6 907 148 D T - 0 0 15 -2,-0.3 3,-0.1 25,-0.2 28,-0.1 -0.928 34.2-140.3-111.5 116.4 0.9 82.3 33.5 908 149 D P - 0 0 8 0, 0.0 24,-0.0 0, 0.0 -5,-0.0 -0.003 37.6 -80.2 -63.2 173.1 -2.8 81.5 33.1 909 150 D S > - 0 0 65 1,-0.1 4,-1.7 4,-0.0 5,-0.1 -0.239 40.6-107.4 -70.0 174.9 -5.2 84.3 32.7 910 151 D A H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.894 120.5 49.3 -69.6 -44.3 -6.5 86.2 35.7 911 152 D E H > S+ 0 0 155 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.895 111.0 48.7 -62.7 -44.2 -9.9 84.6 35.5 912 153 D E H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.850 110.8 51.2 -66.2 -33.9 -8.4 81.1 35.3 913 154 D M H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.902 111.6 48.3 -74.0 -38.4 -6.1 81.8 38.3 914 155 D V H X S+ 0 0 5 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.880 108.7 53.3 -69.9 -31.0 -9.1 82.9 40.3 915 156 D S H X S+ 0 0 65 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.965 109.1 48.4 -70.5 -43.0 -11.1 79.9 39.3 916 157 D R H X S+ 0 0 40 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.806 111.9 50.1 -60.6 -35.4 -8.4 77.4 40.5 917 158 D L H X S+ 0 0 2 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.878 111.8 46.3 -74.4 -37.1 -8.1 79.3 43.8 918 159 D R H X S+ 0 0 104 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.865 108.8 57.2 -69.9 -34.0 -11.9 79.3 44.4 919 160 D K H X S+ 0 0 76 -4,-2.6 4,-2.2 -5,-0.2 3,-0.2 0.987 105.5 50.1 -63.2 -41.1 -12.0 75.6 43.5 920 161 D M H <>S+ 0 0 1 -4,-1.9 5,-2.0 1,-0.3 -2,-0.2 0.879 109.6 52.4 -64.1 -36.7 -9.4 74.8 46.2 921 162 D Q H ><5S+ 0 0 27 -4,-1.8 3,-1.6 1,-0.2 -1,-0.3 0.909 107.3 50.4 -65.6 -39.0 -11.5 76.8 48.6 922 163 D A H 3<5S+ 0 0 85 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.866 105.4 57.3 -69.7 -29.4 -14.6 74.7 47.7 923 164 D L T 3<5S- 0 0 19 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.410 123.9-103.7 -74.8 -1.5 -12.7 71.4 48.3 924 165 D G T < 5 + 0 0 17 -3,-1.6 -3,-0.2 1,-0.2 -27,-0.2 0.439 61.1 161.2 87.7 8.4 -11.9 72.6 51.9 925 166 D A < - 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0 0 7 -5,-0.4 -1,-0.3 1,-0.1 -20,-0.2 -0.824 34.6-159.5 -97.4 124.7 -0.6 86.9 49.7 981 222 D A + 0 0 11 -22,-2.9 -205,-2.3 -2,-0.5 -210,-0.5 0.642 68.8 18.6 -82.5 -12.6 -0.3 85.7 53.3 982 223 D A E -e 776 0M 1 -207,-0.3 -21,-0.3 -23,-0.3 2,-0.3 -0.947 63.6-161.3-146.8 171.7 3.1 84.0 53.3 983 224 D T E -e 777 0M 7 -207,-3.0 -205,-2.9 -2,-0.3 2,-0.4 -0.938 20.7-114.8-158.5 151.0 6.1 84.0 51.0 984 225 D F E -e 778 0M 5 -2,-0.3 12,-0.4 -207,-0.2 2,-0.3 -0.857 29.0-179.9 -97.7 139.2 9.1 81.7 50.4 985 226 D G - 0 0 0 -207,-2.1 -205,-0.5 -2,-0.4 2,-0.4 -0.857 25.6-118.4-128.6 162.2 12.7 82.6 51.2 986 227 D A B -m 997 0O 10 10,-2.2 12,-2.6 -2,-0.3 13,-0.2 -0.838 16.6-172.3-109.4 128.2 16.0 80.7 50.8 987 228 D V S S- 0 0 47 2,-0.6 -1,-0.2 -2,-0.4 12,-0.1 0.897 87.2 -27.6 -80.0 -58.6 18.2 79.8 53.7 988 229 D K S S+ 0 0 107 1,-0.4 2,-0.4 9,-0.1 -2,-0.1 0.682 137.7 25.1-122.7 -56.0 21.2 78.4 51.8 989 230 D Q S S- 0 0 80 -209,-0.2 -2,-0.6 -207,-0.1 -1,-0.4 -0.871 80.5-116.8-115.6 147.7 19.6 77.1 48.6 990 231 D A - 0 0 47 -2,-0.4 -4,-0.1 -4,-0.2 -211,-0.0 -0.408 9.1-152.2 -73.3 150.7 16.3 78.2 46.8 991 232 D S S S+ 0 0 20 1,-0.2 -1,-0.1 -2,-0.1 -5,-0.0 0.503 82.4 9.1-102.8 -5.1 13.5 75.6 46.5 992 233 D A S > S- 0 0 24 3,-0.0 3,-1.4 -8,-0.0 -1,-0.2 -0.963 97.9 -72.4-165.7 157.9 12.3 77.3 43.4 993 234 D P T 3 S+ 0 0 57 0, 0.0 -28,-1.4 0, 0.0 3,-0.1 -0.382 109.9 24.1 -56.4 135.9 13.3 80.0 41.0 994 235 D G T 3 S+ 0 0 12 1,-0.4 2,-0.3 -30,-0.2 -22,-0.1 0.346 80.8 130.8 96.2 -11.3 13.1 83.6 42.2 995 236 D Q < - 0 0 20 -3,-1.4 -1,-0.4 -10,-0.1 2,-0.2 -0.667 40.9-157.4 -77.6 143.9 13.4 83.1 46.0 996 237 D I - 0 0 19 -12,-0.4 -10,-2.2 -2,-0.3 5,-0.1 -0.699 34.7 -60.6-111.7 165.0 15.9 85.3 47.6 997 238 D A B > -m 986 0O 48 -2,-0.2 4,-2.5 -12,-0.2 3,-0.5 -0.049 46.1-127.1 -44.3 131.0 17.9 85.1 50.8 998 239 D V H > S+ 0 0 5 -12,-2.6 4,-2.0 1,-0.3 -1,-0.1 0.827 107.5 53.5 -53.3 -41.6 15.7 85.0 53.9 999 240 D N H > S+ 0 0 112 -13,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.893 110.5 46.4 -68.9 -38.4 17.5 87.9 55.6 1000 241 D D H > S+ 0 0 71 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.892 111.7 53.7 -64.0 -40.8 17.0 90.2 52.6 1001 242 D L H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.941 107.4 49.2 -52.9 -51.8 13.3 89.1 52.4 1002 243 D R H X S+ 0 0 102 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.916 109.1 52.6 -63.2 -39.5 12.6 90.0 55.9 1003 244 D S H X S+ 0 0 59 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.925 110.2 46.9 -68.2 -41.7 14.1 93.4 55.6 1004 245 D V H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.929 112.8 50.4 -62.4 -43.6 12.1 94.3 52.5 1005 246 D L H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.887 110.6 50.7 -58.8 -38.6 8.9 93.0 54.3 1006 247 D M H X S+ 0 0 72 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.915 107.7 50.7 -64.3 -38.8 9.8 95.1 57.3 1007 248 D I H X S+ 0 0 26 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.949 115.0 45.1 -62.9 -40.0 10.3 98.3 55.2 1008 249 D L H < S+ 0 0 14 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.934 116.0 45.7 -69.3 -38.9 6.9 97.7 53.6 1009 250 D H H < S+ 0 0 63 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.847 118.1 41.9 -69.9 -41.7 5.2 96.9 56.8 1010 251 D N H < 0 0 106 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.338 360.0 360.0 -95.5 3.5 6.7 99.8 58.7 1011 252 D A < 0 0 62 -4,-0.9 -298,-0.1 -3,-0.4 -268,-0.1 -0.152 360.0 360.0 -62.1 360.0 6.4 102.6 56.1