==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-DEC-04 1YEY . COMPND 2 MOLECULE: L-FUCONATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,W.S.YEW,J.A.GERLT,S.C.ALMO,S.K.BURLE . 1725 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1204 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 7.2 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 . 7 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 . 1 0.1 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 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 194 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 614 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 1.5 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 8 2 9 8 1 12 7 9 1 2 0 12 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 12 5 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 PARALLEL BRIDGES PER LADDER . 16 4 0 0 0 0 0 4 4 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 4 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 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 0 191 0, 0.0 2,-0.3 0, 0.0 36,-0.1 0.000 360.0 360.0 360.0 115.8 118.4 -17.3 69.4 2 2 A R - 0 0 94 34,-0.1 72,-2.5 71,-0.1 73,-0.5 -0.526 360.0-176.9 -70.8 128.4 118.4 -13.6 70.4 3 3 A T B -A 73 0A 26 -2,-0.3 34,-1.4 70,-0.3 2,-0.9 -0.911 34.9-113.9-128.9 153.5 117.7 -13.2 74.1 4 4 A I E +B 36 0B 0 68,-2.4 67,-3.0 -2,-0.3 68,-0.3 -0.779 35.5 178.6 -85.8 108.4 117.3 -10.3 76.6 5 5 A I E + 0 0 95 30,-1.4 2,-0.3 -2,-0.9 31,-0.2 0.649 56.5 10.3 -88.6 -16.3 120.3 -10.8 78.8 6 6 A A E -B 35 0B 33 29,-1.7 29,-2.7 63,-0.1 2,-0.5 -0.994 46.4-148.5-163.6 154.2 119.9 -7.9 81.2 7 7 A L E -B 34 0B 19 -2,-0.3 2,-0.3 27,-0.2 27,-0.2 -0.893 29.6-170.3-124.4 95.6 117.6 -5.1 82.5 8 8 A E E -B 33 0B 55 25,-2.3 25,-2.7 -2,-0.5 2,-0.4 -0.716 2.2-169.3 -94.5 142.4 119.8 -2.2 83.5 9 9 A T E -B 32 0B 39 -2,-0.3 2,-0.4 23,-0.2 23,-0.2 -0.973 5.0-167.2-130.2 142.7 118.5 0.8 85.4 10 10 A H E -B 31 0B 58 21,-2.3 21,-2.3 -2,-0.4 2,-1.1 -0.994 22.0-137.3-132.5 138.1 120.0 4.2 86.3 11 11 A D E +B 30 0B 23 -2,-0.4 405,-3.2 405,-0.2 2,-0.5 -0.810 36.6 179.3 -90.0 98.9 118.8 6.8 88.7 12 12 A V E +BC 29 415B 0 17,-2.3 17,-3.5 -2,-1.1 2,-0.4 -0.924 5.6 171.2-110.8 122.2 119.4 9.9 86.6 13 13 A R E -B 28 0B 21 401,-2.6 15,-0.3 -2,-0.5 14,-0.1 -0.992 19.5-152.3-135.3 134.9 118.6 13.4 87.9 14 14 A F - 0 0 4 13,-3.0 2,-2.2 -2,-0.4 3,-0.4 -0.836 23.6-127.7-102.7 135.3 119.4 16.9 86.5 15 15 A P > + 0 0 4 0, 0.0 3,-1.7 0, 0.0 11,-0.1 -0.211 56.4 143.3 -76.4 51.9 119.7 19.9 88.9 16 16 A T G > + 0 0 26 -2,-2.2 3,-1.6 1,-0.3 10,-0.2 0.694 55.8 76.9 -64.9 -19.1 117.1 21.9 86.8 17 17 A S G 3 S+ 0 0 35 -3,-0.4 -1,-0.3 1,-0.3 7,-0.1 0.714 83.5 66.7 -64.3 -18.7 115.8 23.4 90.1 18 18 A R G < 0 0 70 -3,-1.7 921,-0.3 6,-0.1 -1,-0.3 0.193 360.0 360.0 -88.2 17.0 118.8 25.7 90.0 19 19 A E < 0 0 108 -3,-1.6 5,-0.1 923,-0.1 923,-0.0 -0.897 360.0 360.0-124.7 360.0 117.6 27.4 86.9 20 ! 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 21 26 A X 0 0 57 0, 0.0 504,-0.2 0, 0.0 221,-0.0 0.000 360.0 360.0 360.0 12.5 102.0 23.2 92.3 22 27 A N - 0 0 47 503,-0.1 2,-0.2 502,-0.1 502,-0.0 -0.835 360.0-179.6-102.2 97.9 105.5 21.9 91.8 23 28 A P + 0 0 82 0, 0.0 -6,-0.1 0, 0.0 503,-0.0 -0.599 66.9 9.2 -91.8 160.0 108.1 24.4 92.9 24 29 A D S S- 0 0 82 -2,-0.2 2,-0.2 1,-0.2 -7,-0.2 0.795 82.4-179.2 41.5 45.6 111.9 23.7 92.6 25 30 A P - 0 0 30 0, 0.0 2,-0.8 0, 0.0 27,-0.2 -0.532 21.8-149.2 -78.3 140.6 111.5 20.4 90.6 26 31 A D - 0 0 28 25,-2.1 24,-0.1 -2,-0.2 -12,-0.1 -0.839 22.6-130.9-107.9 93.1 114.6 18.5 89.6 27 32 A Y + 0 0 29 -2,-0.8 -13,-3.0 24,-0.1 2,-0.3 -0.172 40.7 169.4 -45.4 121.7 113.8 16.8 86.3 28 33 A S E -BD 13 50B 0 22,-2.1 22,-2.3 -15,-0.3 2,-0.3 -0.858 23.4-152.0-134.1 169.5 114.8 13.2 86.7 29 34 A A E -BD 12 49B 0 -17,-3.5 -17,-2.3 -2,-0.3 2,-1.3 -0.981 18.8-142.9-149.3 131.6 114.5 9.8 85.0 30 35 A A E -BD 11 48B 1 18,-2.5 18,-1.5 -2,-0.3 2,-0.4 -0.827 40.2-153.1 -89.9 96.6 114.5 6.2 86.0 31 36 A Y E -BD 10 47B 10 -21,-2.3 -21,-2.3 -2,-1.3 2,-0.4 -0.651 13.1-167.3 -82.3 126.5 116.4 5.2 82.9 32 37 A V E -BD 9 46B 0 14,-3.2 14,-2.3 -2,-0.4 2,-0.4 -0.925 8.2-171.8-118.8 138.5 115.9 1.6 81.7 33 38 A V E -BD 8 45B 1 -25,-2.7 -25,-2.3 -2,-0.4 2,-0.9 -0.985 13.8-152.6-133.1 124.8 117.8 -0.5 79.2 34 39 A L E -BD 7 44B 0 10,-3.5 10,-1.9 -2,-0.4 2,-0.3 -0.836 22.9-160.5 -95.2 102.5 116.9 -3.9 77.8 35 40 A R E -BD 6 43B 60 -29,-2.7 -29,-1.7 -2,-0.9 -30,-1.4 -0.678 10.0-175.5 -89.5 139.7 120.2 -5.5 76.8 36 41 A T E -B 4 0B 5 6,-0.7 -32,-0.2 -2,-0.3 -34,-0.1 -0.727 36.2-117.1-124.6 174.5 120.3 -8.5 74.4 37 42 A D S S+ 0 0 88 -34,-1.4 3,-0.1 -2,-0.2 2,-0.1 -0.036 88.7 83.3-102.8 28.5 123.0 -10.8 73.1 38 43 A G S S- 0 0 27 1,-0.4 -2,-0.1 4,-0.4 0, 0.0 -0.113 99.2 -22.1-106.8-152.5 122.6 -9.6 69.5 39 44 A A > - 0 0 68 1,-0.2 3,-2.6 -2,-0.1 -1,-0.4 -0.279 64.0-122.1 -54.4 141.2 124.1 -6.6 67.8 40 45 A E T 3 S+ 0 0 135 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.1 0.714 116.2 67.1 -59.9 -14.8 125.1 -4.1 70.5 41 46 A D T 3 S+ 0 0 122 1,-0.1 2,-1.1 80,-0.0 -1,-0.3 0.742 82.9 85.1 -74.0 -25.4 122.8 -1.9 68.4 42 47 A L < + 0 0 15 -3,-2.6 -6,-0.7 -6,-0.0 -4,-0.4 -0.693 61.0 113.0 -87.4 98.5 119.9 -4.2 69.5 43 48 A A E -D 35 0B 0 -2,-1.1 2,-0.5 -8,-0.2 -8,-0.2 -0.970 58.0-122.2-157.9 157.9 118.6 -2.9 72.8 44 49 A G E -D 34 0B 0 -10,-1.9 -10,-3.5 -2,-0.3 2,-0.4 -0.929 23.5-163.7-112.3 133.1 115.5 -1.3 74.2 45 50 A Y E +D 33 0B 16 -2,-0.5 2,-0.3 69,-0.3 -12,-0.2 -0.920 19.9 146.0-117.6 141.8 115.5 2.0 76.0 46 51 A G E -D 32 0B 2 -14,-2.3 -14,-3.2 -2,-0.4 2,-0.3 -0.952 18.1-166.5-158.7 173.5 112.9 3.6 78.1 47 52 A L E -D 31 0B 2 -2,-0.3 2,-0.5 -16,-0.2 -16,-0.2 -0.981 21.3-130.3-167.4 155.6 112.4 5.8 81.2 48 53 A V E -D 30 0B 0 -18,-1.5 -18,-2.5 -2,-0.3 2,-0.6 -0.951 31.5-130.3-110.2 128.1 110.0 7.1 83.8 49 54 A F E +D 29 0B 11 -2,-0.5 -20,-0.2 -20,-0.2 2,-0.2 -0.711 33.8 175.0 -83.9 122.4 110.0 10.8 84.2 50 55 A T E -D 28 0B 1 -22,-2.3 -22,-2.1 -2,-0.6 297,-0.1 -0.620 31.9-136.3-116.3 176.6 110.3 11.8 87.9 51 56 A I - 0 0 6 2,-0.4 -25,-2.1 475,-0.3 2,-0.4 0.180 61.4 -75.8-124.6 18.7 110.7 15.2 89.5 52 57 A G S > S+ 0 0 2 -27,-0.2 3,-1.6 1,-0.1 4,-0.2 -0.896 104.5 56.0 133.3-108.6 113.4 14.7 92.1 53 58 A R T 3 S+ 0 0 96 -2,-0.4 -2,-0.4 1,-0.2 -1,-0.1 -0.310 107.0 34.3 -60.9 148.1 112.9 12.8 95.4 54 59 A G T 3> S+ 0 0 4 443,-0.1 4,-2.5 -4,-0.1 -1,-0.2 0.305 80.3 112.2 88.6 -9.6 111.5 9.3 94.9 55 60 A N H <> S+ 0 0 0 -3,-1.6 4,-1.7 1,-0.2 -2,-0.1 0.834 76.7 55.5 -65.5 -28.4 113.4 8.8 91.7 56 61 A D H > S+ 0 0 75 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.879 108.8 45.0 -70.8 -37.2 115.4 6.2 93.6 57 62 A V H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.900 112.0 53.3 -72.0 -36.7 112.3 4.3 94.6 58 63 A Q H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.854 109.4 49.0 -63.3 -35.0 111.0 4.6 91.0 59 64 A T H X S+ 0 0 14 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.877 108.9 52.1 -72.2 -38.8 114.3 3.1 89.8 60 65 A A H X S+ 0 0 37 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.859 105.0 56.0 -65.4 -36.1 114.0 0.2 92.2 61 66 A A H < S+ 0 0 0 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.930 110.6 45.7 -60.9 -44.2 110.5 -0.6 91.1 62 67 A V H >< S+ 0 0 0 -4,-1.5 3,-2.0 1,-0.2 -2,-0.2 0.925 110.0 52.6 -64.1 -46.0 111.9 -0.9 87.6 63 68 A A H >< S+ 0 0 40 -4,-2.5 3,-1.8 1,-0.3 4,-0.2 0.825 98.9 66.3 -60.3 -30.5 114.9 -3.0 88.7 64 69 A A T 3< S+ 0 0 34 -4,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.644 90.6 64.8 -66.5 -13.0 112.4 -5.3 90.4 65 70 A L T X> S+ 0 0 0 -3,-2.0 4,-0.8 -4,-0.3 3,-0.7 0.463 72.8 98.4 -89.2 -0.9 111.0 -6.3 87.0 66 71 A A H X> S+ 0 0 29 -3,-1.8 4,-2.8 1,-0.2 3,-1.3 0.893 77.9 52.8 -52.1 -51.5 114.3 -7.9 85.9 67 72 A E H 34 S+ 0 0 184 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.795 105.3 57.2 -58.6 -28.5 113.3 -11.5 86.7 68 73 A H H <4 S+ 0 0 34 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.742 121.2 25.2 -73.3 -23.7 110.2 -11.1 84.6 69 74 A V H X< S+ 0 0 0 -3,-1.3 3,-2.0 -4,-0.8 -65,-0.3 0.816 90.9 93.6-112.3 -41.8 112.3 -10.1 81.6 70 75 A V T 3< S+ 0 0 60 -4,-2.8 -65,-0.2 1,-0.2 3,-0.1 -0.367 92.8 28.5 -62.0 130.2 115.8 -11.5 81.5 71 76 A G T 3 S+ 0 0 60 -67,-3.0 -1,-0.2 1,-0.4 -66,-0.1 0.211 89.2 132.8 105.0 -13.1 116.0 -14.8 79.7 72 77 A L < - 0 0 22 -3,-2.0 -68,-2.4 -68,-0.3 2,-0.4 -0.393 64.3-107.7 -72.2 147.1 113.1 -14.0 77.4 73 78 A S B > -A 3 0A 23 -70,-0.2 4,-1.7 1,-0.2 -70,-0.3 -0.630 19.5-144.0 -76.5 126.4 113.4 -14.6 73.7 74 79 A V H >> S+ 0 0 0 -72,-2.5 4,-2.9 -2,-0.4 3,-0.5 0.938 101.1 50.7 -54.5 -51.6 113.7 -11.3 71.8 75 80 A D H 3> S+ 0 0 78 -73,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.827 109.1 52.8 -57.9 -32.8 111.7 -12.6 68.8 76 81 A K H 3> S+ 0 0 119 -3,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.818 112.1 44.1 -72.1 -33.4 108.9 -13.8 71.2 77 82 A V H X< S+ 0 0 4 -4,-1.7 3,-1.0 -3,-0.5 7,-0.3 0.961 115.6 47.7 -73.1 -53.9 108.7 -10.3 72.9 78 83 A I H 3< S+ 0 0 38 -4,-2.9 3,-0.4 1,-0.3 -2,-0.2 0.790 112.1 49.3 -57.2 -35.3 108.7 -8.5 69.6 79 84 A A H 3< S+ 0 0 87 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.645 121.6 32.4 -83.7 -15.1 106.1 -10.8 68.0 80 85 A D S+ 0 0 10 -3,-0.4 4,-2.1 1,-0.2 5,-0.2 0.808 79.1 57.0 -68.0 -30.2 103.9 -7.1 72.5 82 87 A G H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.910 110.1 44.3 -66.3 -40.9 100.4 -7.4 73.9 83 88 A A H > S+ 0 0 31 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.881 110.7 53.9 -70.5 -39.9 101.4 -10.7 75.6 84 89 A F H X S+ 0 0 5 -4,-2.2 4,-0.8 -7,-0.3 3,-0.3 0.920 109.5 48.8 -61.3 -42.6 104.7 -9.2 76.9 85 90 A A H >X S+ 0 0 4 -4,-2.1 4,-3.2 1,-0.2 3,-0.7 0.894 110.2 50.7 -64.2 -41.2 102.8 -6.3 78.5 86 91 A R H 3X S+ 0 0 67 -4,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.743 97.8 66.4 -71.7 -21.4 100.3 -8.6 80.2 87 92 A R H 3< S+ 0 0 93 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.819 115.7 30.4 -66.7 -29.5 103.0 -10.8 81.7 88 93 A L H X< S+ 0 0 1 -4,-0.8 3,-1.3 -3,-0.7 -2,-0.2 0.861 121.9 50.8 -90.3 -47.2 103.9 -7.7 83.8 89 94 A T H 3< S+ 0 0 16 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.807 111.7 48.0 -60.6 -33.9 100.4 -6.3 83.9 90 95 A N T 3< S+ 0 0 79 -4,-2.9 2,-1.2 -5,-0.2 -1,-0.2 0.375 72.6 118.3 -92.3 2.9 98.9 -9.6 85.1 91 96 A D X> - 0 0 17 -3,-1.3 4,-2.5 1,-0.2 3,-1.0 -0.616 54.7-157.1 -70.4 103.2 101.4 -10.4 87.8 92 97 A S H 3> S+ 0 0 11 -2,-1.2 4,-1.3 1,-0.3 -1,-0.2 0.756 88.8 55.6 -54.7 -29.6 98.8 -10.3 90.7 93 98 A Q H 34 S+ 0 0 5 2,-0.2 4,-0.4 1,-0.2 391,-0.4 0.840 110.4 44.2 -75.0 -31.7 101.5 -9.6 93.2 94 99 A L H X4 S+ 0 0 7 -3,-1.0 3,-1.2 1,-0.2 4,-0.3 0.859 107.7 60.6 -76.5 -36.6 102.6 -6.6 91.4 95 100 A R H >< S+ 0 0 15 -4,-2.5 3,-2.3 1,-0.3 -2,-0.2 0.852 92.4 66.6 -58.4 -35.5 99.0 -5.5 90.8 96 101 A W T 3< S+ 0 0 14 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.836 93.6 59.0 -57.2 -31.7 98.6 -5.3 94.6 97 102 A L T < S- 0 0 0 -3,-1.2 439,-0.4 -4,-0.4 7,-0.3 0.593 135.9 -27.0 -73.9 -8.2 101.0 -2.4 94.7 98 103 A G < - 0 0 1 -3,-2.3 437,-0.3 -4,-0.3 -2,-0.1 0.419 59.3-128.3-120.1-101.7 98.6 -0.6 92.3 99 104 A P S S- 0 0 3 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 0.485 87.5 -31.6 -91.1 145.1 96.8 -1.9 90.5 100 105 A E S S+ 0 0 11 1,-0.2 2,-0.3 -11,-0.1 221,-0.1 0.928 120.8 83.6 53.4 52.6 97.7 -0.1 87.3 101 106 A K S > S+ 0 0 2 219,-0.1 4,-1.0 -6,-0.1 435,-0.3 -0.957 72.4 12.0-170.9 158.6 98.5 3.2 89.0 102 107 A G H > S- 0 0 4 429,-0.3 4,-2.2 -2,-0.3 5,-0.2 -0.077 109.0 -21.5 66.7-162.8 101.4 4.8 90.8 103 108 A V H > S+ 0 0 2 427,-0.4 4,-2.4 431,-0.3 5,-0.2 0.887 132.7 49.8 -49.3 -54.3 105.1 3.8 91.0 104 109 A X H > S+ 0 0 2 -7,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.912 112.2 46.9 -58.4 -44.7 104.7 0.1 90.1 105 110 A H H X S+ 0 0 6 -4,-1.0 4,-2.7 1,-0.2 -1,-0.2 0.904 112.1 49.6 -66.7 -40.2 102.6 0.7 87.1 106 111 A X H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.893 108.3 54.0 -64.9 -38.1 104.8 3.4 85.7 107 112 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.929 110.8 46.7 -59.2 -44.4 107.9 1.2 86.2 108 113 A I H X S+ 0 0 7 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.927 108.6 55.3 -63.4 -44.1 106.0 -1.5 84.2 109 114 A G H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 214,-0.3 0.852 105.8 52.8 -58.7 -34.4 105.2 1.2 81.6 110 115 A A H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.935 110.5 45.3 -67.6 -46.2 108.9 2.0 81.2 111 116 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.920 114.1 50.3 -63.5 -41.9 109.9 -1.6 80.6 112 117 A I H X S+ 0 0 2 -4,-2.8 4,-1.9 1,-0.2 3,-0.3 0.945 110.7 48.7 -60.7 -48.2 106.9 -2.0 78.1 113 118 A N H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.888 109.0 53.8 -58.7 -39.1 108.0 1.2 76.3 114 119 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -69,-0.3 0.857 105.8 53.9 -63.5 -34.3 111.6 -0.1 76.2 115 120 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 -3,-0.3 -1,-0.2 0.880 109.2 47.2 -67.8 -38.6 110.2 -3.3 74.6 116 121 A W H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.873 110.1 52.2 -69.6 -37.2 108.5 -1.3 71.9 117 122 A D H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.946 109.8 51.6 -61.1 -44.7 111.7 0.7 71.3 118 123 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.922 110.8 45.9 -55.6 -50.4 113.4 -2.6 71.0 119 124 A A H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.865 111.6 52.2 -63.4 -38.4 110.9 -3.9 68.4 120 125 A A H <>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 4,-0.5 0.923 109.5 48.6 -64.8 -44.1 111.1 -0.6 66.4 121 126 A R H ><5S+ 0 0 30 -4,-2.5 3,-1.2 3,-0.2 -2,-0.2 0.940 111.9 50.1 -61.0 -47.2 114.9 -0.8 66.2 122 127 A A H 3<5S+ 0 0 42 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.878 111.9 46.4 -58.5 -40.5 114.6 -4.4 65.1 123 128 A A T 3<5S- 0 0 41 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.528 112.6-128.3 -78.4 -5.6 112.1 -3.4 62.4 124 129 A N T < 5 + 0 0 118 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.931 67.0 119.7 57.6 50.2 114.5 -0.6 61.6 125 130 A K S > -e 401 0C 3 0, 0.0 4,-2.1 0, 0.0 3,-1.1 -0.559 47.1-110.3 -72.4 145.0 111.0 5.1 64.0 127 132 A L H 3> S+ 0 0 0 274,-3.3 4,-2.8 1,-0.3 5,-0.3 0.856 115.2 58.6 -45.2 -47.7 108.3 4.1 66.5 128 133 A W H 3> S+ 0 0 3 273,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.885 112.0 41.8 -54.0 -38.3 105.5 6.2 65.0 129 134 A R H <> S+ 0 0 71 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.883 110.2 56.1 -75.6 -38.3 106.0 4.3 61.7 130 135 A F H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 4,-0.2 0.924 114.2 41.8 -57.0 -44.1 106.4 0.9 63.4 131 136 A I H >< S+ 0 0 3 -4,-2.8 3,-1.4 -5,-0.2 -2,-0.2 0.946 114.6 48.0 -68.3 -52.5 103.0 1.5 65.1 132 137 A A H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.704 110.3 54.0 -64.3 -21.7 101.2 2.9 62.1 133 138 A E T 3< S+ 0 0 71 -4,-1.9 -1,-0.3 -5,-0.1 2,-0.2 0.387 82.8 104.3 -96.6 3.9 102.4 0.1 59.8 134 139 A L S < S- 0 0 20 -3,-1.4 -3,-0.0 -4,-0.2 5,-0.0 -0.561 83.5-100.7 -79.3 150.5 101.2 -2.8 61.9 135 140 A T > - 0 0 50 -2,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.366 31.0-109.3 -69.8 151.5 98.1 -4.5 60.6 136 141 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.841 122.9 52.3 -49.2 -33.1 94.8 -3.5 62.4 137 142 A E H > S+ 0 0 72 2,-0.2 4,-1.7 1,-0.2 -3,-0.0 0.912 107.2 49.4 -70.9 -44.0 94.9 -7.0 63.8 138 143 A Q H > S+ 0 0 97 -3,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.866 111.1 50.9 -64.1 -36.8 98.4 -6.7 65.2 139 144 A L H >X S+ 0 0 9 -4,-2.4 3,-1.7 1,-0.2 4,-0.6 0.972 109.4 49.0 -63.4 -55.4 97.5 -3.4 66.8 140 145 A V H >< S+ 0 0 1 -4,-2.0 3,-0.9 1,-0.3 -1,-0.2 0.800 102.5 62.9 -55.6 -33.3 94.4 -4.7 68.6 141 146 A D H 3< S+ 0 0 75 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.739 98.9 56.4 -66.5 -22.0 96.3 -7.7 69.9 142 147 A T H << S+ 0 0 8 -3,-1.7 2,-0.3 -4,-0.6 -1,-0.2 0.694 92.3 88.9 -83.4 -17.7 98.6 -5.4 71.9 143 148 A I S << S- 0 0 6 -3,-0.9 2,-0.8 -4,-0.6 182,-0.1 -0.592 72.6-134.0 -91.1 144.2 95.7 -3.7 73.8 144 149 A D - 0 0 29 -2,-0.3 -3,-0.1 180,-0.1 -2,-0.1 -0.821 20.5-177.1 -93.0 104.6 94.2 -4.9 77.1 145 150 A F >> + 0 0 38 -2,-0.8 3,-2.2 -5,-0.1 4,-0.7 0.476 39.7 124.2 -82.7 -3.4 90.4 -4.7 76.6 146 151 A R T 34 S+ 0 0 39 1,-0.3 -2,-0.1 2,-0.2 535,-0.1 -0.350 81.4 12.5 -60.9 136.3 89.5 -5.7 80.1 147 152 A Y T 34 S+ 0 0 0 1,-0.1 -1,-0.3 -2,-0.0 -2,-0.1 0.485 117.1 79.8 73.8 5.0 87.3 -3.1 81.8 148 153 A L T X> + 0 0 0 -3,-2.2 4,-3.5 4,-0.1 3,-2.8 0.499 53.1 99.7-117.2 -8.0 86.7 -1.5 78.4 149 154 A S T 3< S+ 0 0 45 -4,-0.7 4,-0.2 1,-0.3 -1,-0.1 0.699 80.1 60.2 -55.6 -20.3 84.0 -3.7 76.8 150 155 A D T 34 S+ 0 0 60 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.545 123.9 17.5 -85.2 -5.1 81.3 -1.2 77.8 151 156 A A T <4 S+ 0 0 4 -3,-2.8 2,-0.2 1,-0.1 -2,-0.2 0.564 134.4 21.8-134.0 -28.6 82.9 1.5 75.7 152 157 A L < - 0 0 0 -4,-3.5 -2,-0.1 -7,-0.2 2,-0.1 -0.747 61.2-171.9-152.1 99.8 85.4 -0.1 73.3 153 158 A T > - 0 0 47 -2,-0.2 4,-2.2 -4,-0.2 5,-0.2 -0.466 40.0-110.7 -84.1 162.1 85.2 -3.7 72.1 154 159 A R H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.813 120.2 56.0 -65.6 -25.7 88.1 -5.1 70.0 155 160 A D H > S+ 0 0 118 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.923 108.0 47.0 -68.9 -43.2 85.7 -5.3 67.0 156 161 A E H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.870 112.3 50.7 -64.2 -37.0 85.0 -1.6 67.4 157 162 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.918 110.8 48.9 -66.1 -43.9 88.7 -0.9 67.7 158 163 A L H X S+ 0 0 7 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.897 106.6 56.5 -61.9 -42.3 89.3 -3.0 64.5 159 164 A A H X S+ 0 0 44 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.944 109.1 45.9 -54.8 -51.4 86.6 -1.1 62.7 160 165 A I H X S+ 0 0 40 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.918 114.6 46.9 -58.0 -48.3 88.3 2.3 63.4 161 166 A L H X S+ 0 0 6 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.847 113.8 48.3 -65.2 -35.3 91.8 1.0 62.4 162 167 A R H >< S+ 0 0 115 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.910 107.0 54.3 -72.7 -41.8 90.5 -0.7 59.2 163 168 A D H 3< S+ 0 0 131 -4,-2.6 -1,-0.2 -5,-0.2 4,-0.2 0.655 114.1 44.6 -66.2 -13.6 88.5 2.4 58.0 164 169 A A H >< S+ 0 0 6 -4,-0.7 3,-0.6 -3,-0.2 4,-0.5 0.609 89.1 87.2-103.9 -15.9 91.8 4.3 58.4 165 170 A Q G X< S+ 0 0 83 -4,-0.9 3,-1.0 -3,-0.6 4,-0.4 0.826 80.9 60.7 -53.8 -39.5 94.1 1.8 56.8 166 171 A P G > S+ 0 0 92 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.893 107.0 43.8 -58.3 -42.7 93.6 3.1 53.2 167 172 A Q G <> S+ 0 0 81 -3,-0.6 4,-2.9 1,-0.2 5,-0.3 0.422 83.6 99.3 -85.1 1.8 94.9 6.6 53.9 168 173 A R H <> S+ 0 0 24 -3,-1.0 4,-1.9 -4,-0.5 -1,-0.2 0.887 83.0 50.3 -55.9 -39.6 97.9 5.5 55.9 169 174 A A H <> S+ 0 0 79 -3,-0.5 4,-1.5 -4,-0.4 -1,-0.2 0.926 114.7 43.4 -64.9 -45.4 100.2 5.9 52.9 170 175 A A H > S+ 0 0 60 -4,-0.3 4,-2.6 2,-0.2 3,-0.4 0.963 113.1 49.1 -64.8 -55.2 98.9 9.4 52.2 171 176 A R H X S+ 0 0 46 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.865 107.5 58.2 -54.0 -37.9 99.0 10.7 55.8 172 177 A T H X S+ 0 0 22 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.922 108.7 43.6 -58.9 -45.5 102.5 9.3 56.2 173 178 A A H X S+ 0 0 58 -4,-1.5 4,-1.8 -3,-0.4 -2,-0.2 0.935 112.1 53.3 -65.5 -47.4 103.8 11.5 53.3 174 179 A T H X S+ 0 0 48 -4,-2.6 4,-3.4 1,-0.2 5,-0.4 0.921 111.3 46.7 -52.7 -48.2 101.8 14.5 54.6 175 180 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 221,-0.4 0.928 110.5 51.0 -61.7 -49.1 103.4 14.1 58.1 176 181 A I H < S+ 0 0 98 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.779 118.9 39.9 -61.4 -25.6 106.9 13.6 56.7 177 182 A E H < S+ 0 0 154 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.880 128.9 24.1 -90.9 -43.6 106.5 16.8 54.6 178 183 A Q H < S- 0 0 87 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.654 92.2-142.5-100.0 -18.3 104.6 19.1 57.0 179 184 A G < - 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0 0 16 -5,-1.7 -1,-0.3 1,-0.2 -23,-0.1 -0.455 29.7-167.5 -65.3 127.3 103.6 28.4 67.5 207 215 A R S S+ 0 0 157 -25,-0.7 29,-2.4 185,-0.3 2,-0.3 0.447 72.1 44.0 -94.3 -1.2 99.8 28.6 66.9 208 216 A T E - j 0 236E 18 -26,-0.4 -24,-1.5 27,-0.2 2,-0.3 -0.999 61.1-176.5-145.5 144.4 99.0 27.8 70.5 209 217 A I E -ij 184 237E 3 27,-2.6 29,-3.8 -2,-0.3 2,-0.4 -0.914 10.9-149.9-135.9 158.1 100.4 28.9 73.9 210 218 A K E - j 0 238E 1 -26,-1.3 2,-0.3 -2,-0.3 29,-0.3 -0.993 5.8-163.2-137.6 132.7 99.6 28.0 77.5 211 219 A L E - j 0 239E 0 27,-3.0 29,-2.6 -2,-0.4 2,-0.3 -0.812 21.2-123.3-110.4 152.3 99.8 30.0 80.8 212 220 A K E + j 0 240E 43 -24,-1.3 2,-0.2 -2,-0.3 29,-0.2 -0.699 39.9 162.3 -89.4 144.7 99.9 28.8 84.3 213 221 A V + 0 0 10 27,-2.1 4,-0.1 -2,-0.3 26,-0.0 -0.827 28.1 94.8-146.1-176.6 97.1 30.1 86.6 214 222 A G + 0 0 2 -2,-0.2 3,-0.1 2,-0.2 27,-0.1 0.326 67.6 81.5 111.7 -10.9 95.5 29.2 89.9 215 223 A A S S+ 0 0 66 1,-0.3 2,-0.4 2,-0.1 -2,-0.0 0.855 103.1 9.2 -94.9 -41.9 97.3 31.2 92.6 216 224 A N > - 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0 0 5 2,-0.4 -25,-2.2 -391,-0.4 2,-0.4 0.186 61.4 -76.4-124.7 18.6 101.1 -9.9 98.8 485 57 B G S > S+ 0 0 2 -27,-0.2 3,-1.6 -392,-0.1 4,-0.2 -0.899 104.2 56.8 132.5-108.2 104.6 -11.1 97.9 486 58 B R T 3 S+ 0 0 91 -2,-0.4 -2,-0.4 1,-0.2 -1,-0.1 -0.311 107.1 34.0 -60.6 147.7 106.6 -9.7 95.0 487 59 B G T 3> S+ 0 0 5 -423,-0.1 4,-2.4 -4,-0.1 -1,-0.2 0.316 80.5 112.3 88.3 -9.1 107.1 -5.9 95.2 488 60 B N H <> S+ 0 0 0 -3,-1.6 4,-1.7 1,-0.2 -2,-0.1 0.824 76.8 55.4 -66.2 -27.2 107.2 -5.9 99.0 489 61 B D H > S+ 0 0 72 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.875 108.8 45.0 -72.1 -36.8 110.9 -4.9 98.6 490 62 B V H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.892 112.0 53.3 -72.7 -36.4 110.0 -1.9 96.5 491 63 B Q H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.860 109.5 48.9 -64.2 -35.4 107.2 -1.1 99.0 492 64 B T H X S+ 0 0 14 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.888 109.0 52.2 -71.0 -39.8 109.7 -1.2 101.8 493 65 B A H X S+ 0 0 36 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.859 105.1 56.0 -64.6 -35.2 112.1 1.1 99.9 494 66 B A H < S+ 0 0 0 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.937 110.5 45.3 -61.7 -45.4 109.3 3.6 99.4 495 67 B V H >< S+ 0 0 1 -4,-1.5 3,-2.0 1,-0.2 -2,-0.2 0.924 110.1 53.1 -63.5 -45.5 108.8 3.7 103.1 496 68 B A H >< S+ 0 0 38 -4,-2.6 3,-1.7 1,-0.3 4,-0.2 0.817 98.6 66.2 -60.2 -29.7 112.6 3.9 103.8 497 69 B A T 3< S+ 0 0 34 -4,-1.8 3,-0.3 1,-0.3 -1,-0.3 0.630 90.6 65.4 -67.7 -12.3 112.7 6.9 101.4 498 70 B L T X> S+ 0 0 1 -3,-2.0 4,-0.8 -4,-0.3 3,-0.7 0.457 72.4 98.5 -89.6 0.1 110.6 8.9 103.9 499 71 B A H X> S+ 0 0 28 -3,-1.7 4,-2.8 1,-0.2 3,-1.5 0.906 77.8 52.7 -53.0 -52.2 113.3 8.8 106.6 500 72 B E H 34 S+ 0 0 179 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.783 105.3 57.3 -57.8 -28.2 114.7 12.3 105.9 501 73 B H H <4 S+ 0 0 36 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.732 121.1 25.1 -74.0 -23.3 111.1 13.7 106.2 502 74 B V H X< S+ 0 0 0 -3,-1.5 3,-2.1 -4,-0.8 -70,-0.3 0.820 90.7 93.6-112.8 -43.2 110.8 12.3 109.7 503 75 B V T 3< S+ 0 0 57 -4,-2.8 -70,-0.2 1,-0.3 3,-0.1 -0.327 92.8 28.5 -59.7 132.2 114.1 11.8 111.6 504 76 B G T 3 S+ 0 0 34 -72,-3.4 -1,-0.3 1,-0.4 -71,-0.1 0.228 89.2 132.9 102.6 -12.8 114.9 14.8 113.7 505 77 B L < - 0 0 32 -3,-2.1 -73,-2.2 -73,-0.3 2,-0.4 -0.391 64.5-107.3 -72.0 148.3 111.3 15.8 114.2 506 78 B S B > -O 431 0H 2 809,-0.4 4,-1.7 -75,-0.2 -75,-0.3 -0.638 19.7-144.3 -77.0 126.3 110.0 16.7 117.7 507 79 B V H > S+ 0 0 0 -77,-2.5 4,-2.4 -2,-0.4 3,-0.3 0.928 99.6 50.1 -54.6 -50.1 107.8 14.0 119.1 508 80 B D H > S+ 0 0 64 -78,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.831 107.2 53.4 -60.5 -36.1 105.5 16.5 120.8 509 81 B K H 4 S+ 0 0 86 806,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.853 111.8 46.2 -69.8 -32.5 105.1 18.6 117.7 510 82 B V H >< S+ 0 0 5 -4,-1.7 3,-1.4 -3,-0.3 7,-0.3 0.969 112.4 48.5 -69.3 -56.1 104.0 15.6 115.7 511 83 B I H 3< S+ 0 0 40 -4,-2.4 3,-0.4 1,-0.3 -2,-0.2 0.754 110.8 51.8 -56.3 -30.1 101.5 14.3 118.3 512 84 B A T 3< S+ 0 0 81 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.585 121.4 28.8 -88.4 -10.9 99.9 17.7 118.8 513 85 B D <> + 0 0 63 -3,-1.4 4,-1.7 -4,-0.5 -1,-0.3 -0.638 61.9 160.4-148.1 81.7 99.2 18.3 115.0 514 86 B L H > S+ 0 0 10 -3,-0.4 4,-2.0 1,-0.2 5,-0.1 0.766 78.9 59.7 -75.8 -24.4 98.7 15.0 113.3 515 87 B G H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.785 108.0 45.0 -72.2 -27.2 97.0 16.8 110.4 516 88 B A H > S+ 0 0 35 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.832 110.4 53.2 -83.3 -37.6 100.2 18.8 109.9 517 89 B F H X S+ 0 0 3 -4,-1.7 4,-0.8 -7,-0.3 -2,-0.2 0.895 110.9 47.7 -63.6 -39.2 102.4 15.8 110.1 518 90 B A H >X S+ 0 0 8 -4,-2.0 4,-3.2 1,-0.2 3,-1.0 0.949 110.7 51.3 -65.0 -50.0 100.3 14.1 107.4 519 91 B R H 3X S+ 0 0 79 -4,-1.5 4,-3.2 1,-0.3 -2,-0.2 0.800 98.8 65.1 -58.4 -33.9 100.4 17.2 105.2 520 92 B R H 3< S+ 0 0 92 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.879 116.0 29.9 -57.4 -37.5 104.2 17.4 105.4 521 93 B L H X< S+ 0 0 1 -3,-1.0 3,-1.1 -4,-0.8 -2,-0.2 0.895 121.5 50.9 -87.1 -46.3 104.3 14.1 103.6 522 94 B T H 3< S+ 0 0 17 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.798 111.9 47.9 -62.0 -33.1 101.1 14.5 101.6 523 95 B N T 3< S+ 0 0 75 -4,-3.2 2,-1.2 -5,-0.2 -1,-0.2 0.383 72.8 118.3 -92.9 2.4 102.1 17.9 100.2 524 96 B D X> - 0 0 22 -3,-1.1 4,-2.5 1,-0.2 3,-1.1 -0.606 54.8-156.9 -70.3 103.1 105.6 17.1 99.2 525 97 B S H 3> S+ 0 0 13 -2,-1.2 4,-1.3 1,-0.3 -1,-0.2 0.758 89.0 55.6 -55.0 -28.9 105.0 17.9 95.5 526 98 B Q H 34 S+ 0 0 4 2,-0.2 4,-0.4 1,-0.2 -475,-0.3 0.825 110.4 44.4 -76.0 -29.1 107.9 15.7 94.4 527 99 B L H X4 S+ 0 0 9 -3,-1.1 3,-1.1 1,-0.2 4,-0.3 0.851 107.5 60.4 -79.1 -36.0 106.4 12.8 96.3 528 100 B R H >< S+ 0 0 14 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.850 92.8 66.5 -58.7 -35.1 103.0 13.6 94.8 529 101 B W T 3< S+ 0 0 18 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.822 94.0 58.1 -57.9 -32.0 104.4 13.1 91.3 530 102 B L T < S- 0 0 0 -3,-1.1 -427,-0.4 -4,-0.4 -1,-0.3 0.598 136.0 -25.7 -74.0 -9.6 104.9 9.4 92.0 531 103 B G < - 0 0 2 -3,-2.1 -429,-0.3 -4,-0.3 -2,-0.1 0.440 59.0-129.0-117.9-102.5 101.2 9.3 92.7 532 104 B P S S- 0 0 3 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 0.450 87.5 -32.5 -91.1 143.8 99.5 11.5 93.6 533 105 B E S S+ 0 0 13 1,-0.2 2,-0.3 -11,-0.1 224,-0.1 0.937 120.9 83.0 54.5 52.3 97.8 9.9 96.6 534 106 B K S > S+ 0 0 3 222,-0.1 4,-1.1 -6,-0.1 -431,-0.3 -0.951 72.5 13.2-170.8 159.5 97.8 6.4 95.1 535 107 B G H > S- 0 0 4 -437,-0.3 4,-2.1 -2,-0.3 5,-0.2 -0.060 108.9 -22.0 66.4-164.3 100.0 3.4 94.7 536 108 B V H > S+ 0 0 1 -439,-0.4 4,-2.3 -435,-0.3 5,-0.2 0.876 132.7 49.7 -48.2 -53.8 103.3 2.6 96.4 537 109 B X H > S+ 0 0 3 -7,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.905 111.8 47.5 -59.5 -43.8 104.3 6.1 97.4 538 110 B H H X S+ 0 0 6 -4,-1.1 4,-2.7 1,-0.2 -1,-0.2 0.902 112.1 49.3 -67.2 -38.9 101.0 7.0 99.0 539 111 B X H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.890 108.0 54.1 -66.3 -38.4 100.8 3.7 101.0 540 112 B A H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.923 111.0 46.7 -59.1 -43.0 104.4 4.2 102.2 541 113 B I H X S+ 0 0 8 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.932 108.5 55.3 -64.3 -45.1 103.2 7.6 103.5 542 114 B G H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 217,-0.3 0.853 106.1 52.7 -56.9 -35.3 100.1 6.0 105.0 543 115 B A H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.928 110.4 45.2 -66.9 -46.7 102.3 3.6 107.0 544 116 B V H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.930 114.2 50.3 -63.5 -42.8 104.4 6.4 108.4 545 117 B I H X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 3,-0.2 0.943 110.7 48.9 -60.2 -47.2 101.3 8.4 109.2 546 118 B N H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.876 109.0 53.5 -60.2 -38.3 99.7 5.4 110.9 547 119 B A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -69,-0.3 0.865 105.8 54.1 -63.8 -34.6 102.9 4.9 112.9 548 120 B A H X S+ 0 0 0 -4,-1.9 4,-2.4 -3,-0.2 -1,-0.2 0.887 109.1 47.2 -67.6 -38.7 102.6 8.5 114.0 549 121 B W H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.878 110.1 52.2 -69.7 -36.8 99.1 7.9 115.3 550 122 B D H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.958 109.7 51.6 -60.5 -47.1 100.3 4.7 117.0 551 123 B L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.917 110.8 46.3 -53.0 -50.8 102.9 6.9 118.6 552 124 B A H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.862 111.4 52.1 -62.9 -38.3 100.3 9.5 119.8 553 125 B A H X>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 4,-0.5 0.930 109.5 48.5 -65.5 -45.3 98.1 6.8 121.2 554 126 B R H ><5S+ 0 0 29 -4,-2.7 3,-1.3 3,-0.2 -2,-0.2 0.948 111.8 50.3 -59.3 -47.8 100.9 5.2 123.2 555 127 B A H 3<5S+ 0 0 43 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.890 111.8 46.2 -57.7 -41.8 101.8 8.6 124.5 556 128 B A H 3<5S- 0 0 42 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.544 112.9-128.0 -76.9 -5.5 98.2 9.3 125.5 557 129 B N T <<5 + 0 0 119 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.929 67.2 119.2 57.8 49.6 98.3 5.8 127.0 558 130 B K S > -s 837 0J 3 0, 0.0 4,-2.2 0, 0.0 3,-1.2 -0.563 47.0-110.4 -73.0 144.8 94.2 2.1 122.5 560 132 B L H 3> S+ 0 0 0 277,-3.4 4,-2.8 1,-0.3 5,-0.3 0.860 115.1 58.7 -45.3 -47.6 93.9 3.9 119.2 561 133 B W H 3> S+ 0 0 4 276,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.894 112.1 41.4 -53.9 -38.3 90.1 3.6 118.9 562 134 B R H <> S+ 0 0 72 -3,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.883 110.6 56.2 -75.9 -37.8 89.7 5.4 122.2 563 135 B F H < S+ 0 0 21 -4,-2.2 4,-0.2 2,-0.2 -2,-0.2 0.931 114.2 41.4 -56.9 -45.0 92.4 8.0 121.4 564 136 B I H >< S+ 0 0 4 -4,-2.8 3,-1.4 -5,-0.2 -2,-0.2 0.947 115.0 47.9 -67.8 -52.3 90.5 8.9 118.3 565 137 B A H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.728 110.2 54.1 -64.1 -23.0 87.0 8.8 119.7 566 138 B E T 3< S+ 0 0 73 -4,-2.0 -1,-0.3 -5,-0.1 2,-0.2 0.412 83.1 103.9 -94.5 2.9 88.0 11.0 122.7 567 139 B L S < S- 0 0 21 -3,-1.4 -3,-0.0 -4,-0.2 5,-0.0 -0.540 83.5-100.0 -79.7 151.8 89.5 13.8 120.6 568 140 B T > - 0 0 45 -2,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.366 30.8-109.9 -70.7 151.5 87.4 16.9 120.4 569 141 B P H > S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.824 122.8 52.0 -50.1 -31.1 85.3 17.4 117.3 570 142 B E H > S+ 0 0 46 2,-0.2 4,-1.7 1,-0.2 926,-0.1 0.914 107.1 49.5 -72.8 -44.4 87.7 20.2 116.5 571 143 B Q H > S+ 0 0 73 -3,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.867 111.2 51.0 -63.0 -37.4 90.8 18.2 117.0 572 144 B L H >X S+ 0 0 8 -4,-2.4 3,-1.8 1,-0.2 4,-0.6 0.973 109.2 49.0 -62.7 -56.5 89.4 15.4 114.7 573 145 B V H >< S+ 0 0 1 -4,-1.9 3,-0.9 1,-0.3 -1,-0.2 0.799 102.6 63.0 -55.0 -32.9 88.6 17.8 111.9 574 146 B D H 3< S+ 0 0 28 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.730 98.7 56.6 -67.2 -20.8 92.0 19.4 112.0 575 147 B T H << S+ 0 0 10 -3,-1.8 2,-0.3 -4,-0.6 -1,-0.2 0.676 92.4 89.2 -84.1 -16.9 93.6 16.1 111.0 576 148 B I S << S- 0 0 4 -3,-0.9 2,-0.9 -4,-0.6 185,-0.1 -0.607 72.2-134.4 -92.6 143.9 91.6 15.7 107.8 577 149 B D - 0 0 33 -2,-0.3 -3,-0.1 1,-0.1 -2,-0.1 -0.806 20.3-177.1 -92.5 102.4 92.5 17.0 104.4 578 150 B F >> + 0 0 39 -2,-0.9 3,-2.1 -5,-0.1 4,-0.6 0.463 39.4 124.8 -80.7 -2.4 89.4 18.6 103.0 579 151 B R T 34 S+ 0 0 60 1,-0.3 -2,-0.1 2,-0.2 -334,-0.1 -0.357 81.0 11.9 -60.8 136.2 90.9 19.4 99.6 580 152 B Y T 34 S+ 0 0 2 1,-0.1 -1,-0.3 -2,-0.0 -2,-0.1 0.477 117.0 80.4 73.8 4.4 88.8 18.0 96.7 581 153 B L T X> + 0 0 0 -3,-2.1 4,-3.6 4,-0.1 3,-2.8 0.511 52.6 99.7-116.0 -8.2 86.0 17.3 99.2 582 154 B S T 3< S+ 0 0 47 -4,-0.6 4,-0.2 1,-0.3 -1,-0.1 0.694 79.9 60.4 -55.2 -20.3 84.3 20.7 99.6 583 155 B D T 34 S+ 0 0 61 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.542 124.0 17.4 -85.3 -4.4 81.6 19.6 97.1 584 156 B A T <4 S+ 0 0 4 -3,-2.8 2,-0.3 1,-0.1 -2,-0.2 0.580 134.6 21.6-134.5 -31.1 80.5 16.7 99.3 585 157 B L < - 0 0 0 -4,-3.6 -2,-0.1 -7,-0.2 2,-0.1 -0.771 61.2-172.3-150.7 100.9 81.9 17.3 102.9 586 158 B T > - 0 0 47 -2,-0.3 4,-2.2 -4,-0.2 5,-0.2 -0.462 40.3-110.4 -84.5 162.1 82.9 20.7 104.2 587 159 B R H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.795 120.2 56.3 -66.2 -24.4 84.7 20.9 107.6 588 160 B D H > S+ 0 0 117 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 107.9 46.9 -70.3 -42.0 81.5 22.5 109.0 589 161 B E H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.881 112.1 51.0 -65.4 -37.6 79.5 19.5 107.9 590 162 B A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.928 110.8 48.6 -64.7 -44.8 82.1 17.2 109.4 591 163 B L H X S+ 0 0 7 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.889 106.5 56.8 -61.7 -41.4 82.0 19.1 112.7 592 164 B A H X S+ 0 0 44 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.945 109.2 45.7 -55.5 -51.1 78.2 19.0 112.8 593 165 B I H X S+ 0 0 40 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.925 114.7 47.0 -58.0 -49.4 78.3 15.2 112.6 594 166 B L H X S+ 0 0 6 -4,-2.2 4,-0.8 1,-0.2 3,-0.2 0.848 113.9 48.2 -64.3 -35.5 81.0 14.8 115.2 595 167 B R H >< S+ 0 0 114 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.906 106.8 54.3 -72.9 -41.4 79.3 17.2 117.5 596 168 B D H 3< S+ 0 0 129 -4,-2.6 -1,-0.2 1,-0.2 4,-0.2 0.656 114.1 44.8 -66.3 -13.8 75.8 15.6 117.3 597 169 B A H >< S+ 0 0 5 -4,-0.7 3,-0.6 -3,-0.2 4,-0.4 0.586 88.8 87.2-103.8 -15.3 77.5 12.4 118.3 598 170 B Q G X< S+ 0 0 85 -4,-0.8 3,-1.1 -3,-0.6 4,-0.4 0.835 80.8 60.7 -55.1 -39.1 79.6 13.7 121.1 599 171 B P G > S+ 0 0 95 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.896 107.0 43.7 -58.3 -42.7 76.9 13.3 123.8 600 172 B Q G <> S+ 0 0 80 -3,-0.6 4,-2.9 1,-0.2 5,-0.3 0.419 83.6 99.4 -85.0 2.7 76.6 9.5 123.4 601 173 B R H <> S+ 0 0 25 -3,-1.1 4,-1.9 -4,-0.4 -1,-0.2 0.886 82.9 50.1 -56.5 -39.9 80.4 8.9 123.2 602 174 B A H <> S+ 0 0 81 -3,-0.6 4,-1.4 -4,-0.4 -1,-0.2 0.921 114.6 43.7 -64.1 -45.6 80.4 7.8 126.9 603 175 B A H > S+ 0 0 59 -4,-0.3 4,-2.5 2,-0.2 3,-0.5 0.967 113.2 48.9 -64.3 -56.0 77.6 5.4 126.4 604 176 B R H X S+ 0 0 47 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.857 107.4 58.4 -53.7 -37.5 78.8 3.8 123.1 605 177 B T H X S+ 0 0 21 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.915 108.7 43.6 -59.8 -44.5 82.2 3.4 124.7 606 178 B A H X S+ 0 0 58 -4,-1.4 4,-1.9 -3,-0.5 5,-0.2 0.943 112.1 53.2 -66.0 -48.7 80.8 1.2 127.5 607 179 B T H X S+ 0 0 48 -4,-2.5 4,-3.3 1,-0.2 5,-0.4 0.912 111.3 46.9 -51.7 -47.4 78.5 -0.7 125.1 608 180 B L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 224,-0.4 0.927 110.7 50.5 -62.3 -48.7 81.6 -1.5 122.9 609 181 B I H < S+ 0 0 102 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.783 119.0 40.2 -62.2 -25.6 83.7 -2.6 125.8 610 182 B E H < S+ 0 0 155 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.889 128.7 23.9 -89.6 -45.1 80.9 -4.9 127.0 611 183 B Q H < S- 0 0 89 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.655 92.4-141.5 -98.7 -19.2 79.6 -6.4 123.8 612 184 B G < - 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0 0 19 -3,-1.2 4,-2.5 1,-0.2 3,-1.0 -0.594 54.8-156.8 -70.0 103.3 115.8 36.3 104.7 958 97 C S H 3> S+ 0 0 12 -2,-1.2 4,-1.2 1,-0.3 -1,-0.2 0.750 88.9 55.2 -55.0 -28.3 113.7 37.1 107.8 959 98 C Q H 34 S+ 0 0 5 2,-0.2 4,-0.5 1,-0.2 392,-0.4 0.833 110.5 44.8 -76.7 -29.8 116.5 36.0 110.1 960 99 C L H X4 S+ 0 0 9 -3,-1.0 3,-1.2 1,-0.2 4,-0.3 0.862 107.4 60.2 -77.6 -36.9 118.9 38.4 108.5 961 100 C R H >< S+ 0 0 16 -4,-2.5 3,-2.3 1,-0.3 -2,-0.2 0.852 92.8 66.6 -58.3 -35.3 116.2 41.1 108.5 962 101 C W T 3< S+ 0 0 12 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.833 93.5 58.8 -57.3 -32.6 116.1 40.9 112.3 963 102 C L T < S- 0 0 0 -3,-1.2 440,-0.4 -4,-0.5 7,-0.3 0.599 135.9 -26.7 -73.1 -9.1 119.6 42.3 112.5 964 103 C G < - 0 0 1 -3,-2.3 438,-0.3 -4,-0.3 -2,-0.1 0.423 59.6-128.0-119.2-102.0 118.3 45.3 110.6 965 104 C P S S- 0 0 3 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 0.448 87.5 -32.0 -92.0 144.3 116.1 45.4 108.8 966 105 C E S S+ 0 0 15 1,-0.2 2,-0.3 -11,-0.1 224,-0.1 0.934 120.8 83.4 54.2 51.9 117.6 47.0 105.8 967 106 C K S > S+ 0 0 3 222,-0.1 4,-1.1 -6,-0.1 436,-0.3 -0.952 72.3 12.4-170.4 159.7 120.0 49.2 107.8 968 107 C G H > S- 0 0 5 430,-0.3 4,-2.1 -2,-0.3 5,-0.2 -0.061 109.1 -21.8 66.1-163.4 123.4 48.9 109.5 969 108 C V H > S+ 0 0 2 428,-0.4 4,-2.4 432,-0.3 5,-0.2 0.885 132.7 50.0 -48.7 -54.1 126.1 46.3 109.1 970 109 C X H > S+ 0 0 3 -7,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.906 112.1 47.1 -59.1 -43.2 123.9 43.4 107.9 971 110 C H H X S+ 0 0 5 -4,-1.1 4,-2.7 1,-0.2 -1,-0.2 0.892 112.2 49.3 -67.8 -38.4 122.2 45.4 105.2 972 111 C X H X S+ 0 0 3 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.883 108.2 54.0 -67.0 -38.0 125.5 46.9 103.9 973 112 C A H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.933 111.1 46.8 -59.7 -43.8 127.1 43.4 103.8 974 113 C I H X S+ 0 0 7 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.933 108.5 55.0 -63.4 -45.4 124.1 42.4 101.7 975 114 C G H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 217,-0.2 0.847 106.0 53.2 -57.0 -34.6 124.6 45.4 99.5 976 115 C A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.926 110.3 44.9 -67.1 -46.9 128.2 44.4 98.9 977 116 C V H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.921 114.2 50.8 -63.6 -42.0 127.3 40.9 97.7 978 117 C I H X S+ 0 0 1 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.949 110.7 48.3 -60.7 -47.5 124.5 42.4 95.6 979 118 C N H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.889 109.2 53.5 -59.4 -40.6 126.9 44.9 94.0 980 119 C A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -69,-0.3 0.867 105.9 54.4 -61.6 -35.5 129.4 42.1 93.3 981 120 C A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.893 109.2 46.9 -66.4 -39.5 126.6 40.3 91.5 982 121 C W H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.882 110.2 52.0 -69.2 -37.8 126.0 43.3 89.3 983 122 C D H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.956 109.8 51.8 -59.9 -46.7 129.7 43.6 88.6 984 123 C L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.922 110.8 46.3 -53.7 -50.3 129.6 39.9 87.7 985 124 C A H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.861 111.4 51.9 -63.2 -38.3 126.7 40.5 85.3 986 125 C A H X>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 4,-0.5 0.926 109.4 49.0 -65.8 -44.4 128.4 43.5 83.7 987 126 C R H ><5S+ 0 0 28 -4,-2.7 3,-1.3 3,-0.2 -2,-0.2 0.949 111.9 50.0 -59.8 -47.6 131.6 41.6 83.1 988 127 C A H 3<5S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.886 111.8 46.4 -57.8 -42.0 129.6 38.7 81.6 989 128 C A H 3<5S- 0 0 39 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.541 112.6-128.3 -77.1 -5.3 127.7 41.2 79.3 990 129 C N T <<5 + 0 0 115 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.927 67.1 119.3 57.3 49.8 131.2 42.6 78.6 991 130 C K S > -g 1270 0Q 3 0, 0.0 4,-2.1 0, 0.0 3,-1.2 -0.570 47.0-110.4 -72.8 144.9 131.0 48.9 82.0 993 132 C L H 3> S+ 0 0 0 277,-3.9 4,-2.8 1,-0.3 5,-0.3 0.858 115.1 58.6 -45.0 -48.1 128.2 48.8 84.7 994 133 C W H 3> S+ 0 0 4 276,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.890 112.1 41.7 -53.6 -38.2 126.7 52.2 83.7 995 134 C R H <> S+ 0 0 70 -3,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.886 110.3 56.2 -75.8 -38.6 126.1 50.9 80.2 996 135 C F H < S+ 0 0 19 -4,-2.1 -2,-0.2 1,-0.2 4,-0.2 0.925 114.2 41.6 -56.3 -44.6 124.9 47.5 81.4 997 136 C I H >< S+ 0 0 4 -4,-2.8 3,-1.4 -5,-0.2 -2,-0.2 0.943 115.0 47.6 -67.9 -51.9 122.3 49.3 83.5 998 137 C A H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.716 110.3 54.1 -65.4 -22.3 121.2 51.9 80.9 999 138 C E T 3< S+ 0 0 72 -4,-2.0 -1,-0.2 -5,-0.1 2,-0.2 0.391 83.1 104.0 -95.3 3.3 120.9 49.3 78.2 1000 139 C L S < S- 0 0 20 -3,-1.4 -3,-0.0 -4,-0.2 5,-0.0 -0.544 83.7-100.3 -79.1 151.7 118.5 47.0 80.1 1001 140 C T > - 0 0 46 -2,-0.2 4,-2.4 1,-0.1 3,-0.2 -0.375 31.0-109.3 -70.6 152.5 114.9 47.2 78.9 1002 141 C P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.825 123.0 51.8 -50.4 -31.3 112.5 49.3 81.1 1003 142 C E H > S+ 0 0 34 2,-0.2 4,-1.7 1,-0.2 -811,-0.1 0.913 107.1 49.7 -73.1 -44.5 111.0 46.0 82.1 1004 143 C Q H > S+ 0 0 86 -3,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.869 111.2 50.9 -62.6 -37.3 114.3 44.4 83.1 1005 144 C L H >X S+ 0 0 7 -4,-2.4 3,-1.8 1,-0.2 4,-0.6 0.975 109.2 48.9 -63.2 -56.8 115.2 47.4 85.2 1006 145 C V H >< S+ 0 0 1 -4,-1.9 3,-0.9 1,-0.3 -1,-0.2 0.796 102.7 63.0 -54.4 -32.8 111.9 47.5 87.1 1007 146 C D H 3< S+ 0 0 51 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.736 98.7 56.5 -67.4 -21.1 112.1 43.8 87.9 1008 147 C T H << S+ 0 0 9 -3,-1.8 2,-0.3 -4,-0.6 -1,-0.2 0.687 92.5 88.8 -83.8 -17.2 115.3 44.4 89.9 1009 148 C I S << S- 0 0 7 -3,-0.9 2,-0.9 -4,-0.6 185,-0.1 -0.593 72.5-134.0 -91.7 144.2 113.7 46.9 92.2 1010 149 C D - 0 0 30 -2,-0.3 -3,-0.1 1,-0.1 -2,-0.1 -0.811 20.4-177.1 -92.7 103.2 111.9 46.2 95.5 1011 150 C F >> + 0 0 39 -2,-0.9 3,-2.1 -5,-0.1 4,-0.6 0.458 39.4 124.7 -81.5 -1.9 108.6 48.2 95.4 1012 151 C R T 34 S+ 0 0 46 1,-0.3 -2,-0.1 2,-0.2 536,-0.1 -0.377 81.0 12.3 -62.1 136.2 107.5 47.2 98.9 1013 152 C Y T 34 S+ 0 0 2 1,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.488 117.0 80.1 74.4 6.0 106.9 50.2 101.1 1014 153 C L T X> + 0 0 0 -3,-2.1 4,-3.6 4,-0.1 3,-2.8 0.478 52.6 99.9-117.9 -8.1 107.0 52.4 98.0 1015 154 C S T 3< S+ 0 0 49 -4,-0.6 4,-0.2 1,-0.3 -1,-0.1 0.708 80.0 60.3 -55.4 -20.5 103.5 52.0 96.5 1016 155 C D T 34 S+ 0 0 65 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.553 124.1 17.2 -84.9 -5.1 102.4 55.3 98.0 1017 156 C A T <4 S+ 0 0 3 -3,-2.8 2,-0.2 1,-0.1 -2,-0.2 0.579 134.5 21.6-134.7 -29.0 105.1 57.2 96.1 1018 157 C L < - 0 0 0 -4,-3.6 -2,-0.1 -7,-0.2 2,-0.1 -0.749 61.3-172.0-151.8 100.2 106.4 55.1 93.3 1019 158 C T > - 0 0 47 -2,-0.2 4,-2.2 -4,-0.2 5,-0.2 -0.445 40.2-110.5 -83.7 162.3 104.5 52.2 91.7 1020 159 C R H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.792 120.2 56.2 -66.4 -23.6 106.2 49.9 89.2 1021 160 C D H > S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 107.9 46.7 -70.9 -43.3 103.9 51.4 86.5 1022 161 C E H > S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.875 112.3 51.1 -64.6 -37.3 105.1 54.9 87.3 1023 162 C A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.920 110.8 48.5 -65.3 -43.5 108.7 53.6 87.3 1024 163 C L H X S+ 0 0 8 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.895 106.6 56.8 -62.8 -41.9 108.1 52.1 83.9 1025 164 C A H X S+ 0 0 44 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.947 109.1 45.7 -54.7 -51.3 106.6 55.3 82.6 1026 165 C I H X S+ 0 0 40 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.922 114.6 47.1 -58.1 -49.1 109.7 57.3 83.5 1027 166 C L H X S+ 0 0 7 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.839 113.7 48.4 -64.5 -34.3 112.1 54.6 82.0 1028 167 C R H >< S+ 0 0 113 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.906 106.7 54.4 -73.6 -41.4 110.1 54.4 78.8 1029 168 C D H 3< S+ 0 0 130 -4,-2.6 -1,-0.2 -5,-0.2 4,-0.2 0.658 114.0 44.7 -66.5 -13.4 109.8 58.1 78.2 1030 169 C A H >< S+ 0 0 5 -4,-0.7 3,-0.6 202,-0.2 4,-0.4 0.600 89.0 87.3-103.9 -16.0 113.6 58.2 78.5 1031 170 C Q G X< S+ 0 0 85 -4,-0.8 3,-1.1 -3,-0.6 4,-0.4 0.828 80.9 60.5 -54.2 -39.3 114.4 55.2 76.3 1032 171 C P G > S+ 0 0 93 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.899 107.1 43.9 -58.3 -43.0 114.4 57.1 73.0 1033 172 C Q G <> S+ 0 0 80 -3,-0.6 4,-2.9 1,-0.2 5,-0.3 0.420 83.6 99.3 -84.9 2.5 117.3 59.4 74.0 1034 173 C R H <> S+ 0 0 25 -3,-1.1 4,-1.8 -4,-0.4 -1,-0.2 0.886 83.0 50.0 -56.6 -39.8 119.4 56.7 75.5 1035 174 C A H <> S+ 0 0 80 -3,-0.6 4,-1.5 -4,-0.4 -1,-0.2 0.925 114.7 43.7 -64.4 -45.8 121.5 56.4 72.3 1036 175 C A H > S+ 0 0 60 -4,-0.3 4,-2.5 2,-0.2 3,-0.5 0.968 113.1 49.0 -64.4 -55.7 122.1 60.2 72.2 1037 176 C R H X S+ 0 0 49 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.855 107.5 58.2 -53.8 -37.3 122.9 60.6 75.9 1038 177 C T H X S+ 0 0 26 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.917 108.6 43.8 -59.9 -45.0 125.3 57.7 75.7 1039 178 C A H X S+ 0 0 57 -4,-1.5 4,-1.9 -3,-0.5 -2,-0.2 0.943 112.1 53.0 -65.3 -48.6 127.4 59.5 73.0 1040 179 C T H X S+ 0 0 47 -4,-2.5 4,-3.4 1,-0.2 5,-0.4 0.918 111.3 46.8 -51.8 -48.5 127.2 62.8 74.9 1041 180 C L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 224,-0.5 0.927 110.6 50.8 -61.3 -49.0 128.5 61.2 78.1 1042 181 C I H < S+ 0 0 98 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.786 118.9 40.0 -61.7 -25.9 131.3 59.3 76.3 1043 182 C E H < S+ 0 0 156 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.886 128.9 23.9 -90.1 -43.9 132.3 62.6 74.7 1044 183 C Q H < S- 0 0 89 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.660 92.2-142.5 -99.3 -19.6 131.9 65.1 77.5 1045 184 C G < - 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0 0 32 -3,-2.1 -71,-2.5 -71,-0.3 2,-0.4 -0.398 64.2-107.6 -72.0 147.4 138.3 50.0 132.8 1373 78 D S B > -Q 1300 0V 23 -73,-0.2 4,-1.6 1,-0.1 -73,-0.3 -0.626 19.6-144.2 -76.6 127.2 137.8 50.7 136.5 1374 79 D V H > S+ 0 0 0 -75,-2.8 4,-3.3 -2,-0.4 3,-0.3 0.935 99.1 49.5 -55.5 -50.9 134.5 49.2 137.8 1375 80 D D H > S+ 0 0 75 -76,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.847 108.0 52.1 -59.1 -39.1 133.8 52.1 140.1 1376 81 D K H > S+ 0 0 154 2,-0.2 4,-0.7 1,-0.1 -1,-0.2 0.849 115.6 43.7 -68.2 -30.1 134.4 54.7 137.5 1377 82 D V H >< S+ 0 0 5 -4,-1.6 3,-1.1 -3,-0.3 7,-0.2 0.967 113.1 48.1 -75.3 -57.6 131.9 52.8 135.3 1378 83 D I H 3< S+ 0 0 32 -4,-3.3 3,-0.4 1,-0.3 -2,-0.2 0.814 115.0 48.2 -53.4 -33.2 129.3 52.1 138.0 1379 84 D A H 3< S+ 0 0 86 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.679 121.2 33.2 -83.3 -20.1 129.5 55.8 139.0 1380 85 D D S+ 0 0 10 -3,-0.4 4,-1.8 1,-0.2 5,-0.2 0.717 78.8 62.1 -65.8 -19.3 127.0 55.0 133.2 1382 87 D G H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.940 106.0 42.0 -70.9 -48.5 126.5 58.1 131.1 1383 88 D A H > S+ 0 0 35 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.831 112.4 56.3 -67.1 -32.4 130.2 58.4 130.2 1384 89 D F H X S+ 0 0 4 -4,-1.8 4,-0.9 -7,-0.2 -1,-0.2 0.926 109.1 45.0 -65.7 -46.0 130.4 54.6 129.7 1385 90 D A H >X S+ 0 0 7 -4,-1.8 4,-3.0 1,-0.2 3,-1.3 0.959 112.7 51.9 -61.7 -50.2 127.6 54.6 127.1 1386 91 D R H 3X S+ 0 0 79 -4,-2.2 4,-3.2 1,-0.3 -1,-0.2 0.815 97.7 65.0 -56.7 -35.5 129.1 57.6 125.4 1387 92 D R H 3< S+ 0 0 115 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.854 116.0 30.9 -56.5 -34.8 132.6 56.0 125.1 1388 93 D L H X< S+ 0 0 1 -3,-1.3 3,-1.2 -4,-0.9 -2,-0.2 0.883 119.8 51.8 -88.8 -47.3 131.0 53.4 122.8 1389 94 D T H 3< S+ 0 0 17 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.812 111.3 48.3 -60.6 -34.1 128.3 55.6 121.3 1390 95 D N T 3< S+ 0 0 70 -4,-3.2 2,-1.2 -5,-0.2 -1,-0.2 0.371 72.6 118.1 -91.7 3.3 130.7 58.3 120.3 1391 96 D D X> - 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0 0 50 -2,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.374 30.9-109.7 -70.8 152.0 118.5 61.2 141.9 1436 141 D P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.844 122.9 52.0 -50.0 -33.0 116.8 63.1 139.1 1437 142 D E H > S+ 0 0 70 2,-0.2 4,-1.7 1,-0.2 21,-0.0 0.908 107.3 49.6 -71.3 -42.9 120.2 64.5 138.3 1438 143 D Q H > S+ 0 0 97 -3,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.872 111.1 50.9 -64.4 -37.2 121.9 61.1 138.2 1439 144 D L H >X S+ 0 0 8 -4,-2.4 3,-1.7 1,-0.2 4,-0.6 0.972 109.3 49.1 -63.3 -55.8 119.3 59.8 135.8 1440 145 D V H >< S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.3 -1,-0.2 0.789 102.5 62.9 -55.3 -32.5 119.6 62.8 133.4 1441 146 D D H 3< S+ 0 0 74 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.740 98.8 56.5 -67.5 -21.6 123.4 62.5 133.3 1442 147 D T H << S+ 0 0 10 -3,-1.7 2,-0.2 -4,-0.6 -1,-0.2 0.696 92.3 88.6 -83.3 -18.1 123.0 59.0 131.7 1443 148 D I S << S- 0 0 6 -3,-0.8 2,-0.9 -4,-0.6 185,-0.1 -0.564 72.8-133.5 -90.6 145.8 120.9 60.2 128.8 1444 149 D D - 0 0 35 -2,-0.2 -3,-0.1 1,-0.1 -2,-0.1 -0.830 20.7-177.3 -94.2 103.9 122.2 61.4 125.4 1445 150 D F >> + 0 0 39 -2,-0.9 3,-2.1 -5,-0.1 4,-0.6 0.473 39.8 124.0 -81.8 -4.1 120.2 64.6 124.6 1446 151 D R T 34 S+ 0 0 39 1,-0.3 -2,-0.1 2,-0.2 -332,-0.1 -0.351 81.4 12.4 -59.9 136.3 121.8 65.1 121.2 1447 152 D Y T 34 S+ 0 0 1 -334,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.493 117.1 79.7 73.0 5.9 119.1 65.4 118.4 1448 153 D L T X> + 0 0 0 -3,-2.1 4,-3.5 4,-0.1 3,-2.8 0.493 53.2 99.7-117.6 -7.9 116.4 65.7 121.1 1449 154 D S T 3< S+ 0 0 46 -4,-0.6 4,-0.2 1,-0.3 -1,-0.1 0.702 80.0 60.2 -55.7 -20.6 116.6 69.4 122.2 1450 155 D D T 34 S+ 0 0 63 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.534 124.0 17.6 -84.9 -4.2 113.6 70.2 120.0 1451 156 D A T <4 S+ 0 0 4 -3,-2.8 2,-0.2 1,-0.1 -2,-0.2 0.564 134.6 21.3-135.8 -28.7 111.4 67.8 121.9 1452 157 D L < - 0 0 0 -4,-3.5 -2,-0.1 -7,-0.2 2,-0.1 -0.743 61.4-172.6-152.8 100.6 113.1 67.0 125.3 1453 158 D T > - 0 0 46 -2,-0.2 4,-2.1 -4,-0.2 5,-0.2 -0.458 40.6-110.0 -84.7 162.7 115.7 69.3 126.9 1454 159 D R H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.798 120.1 56.6 -66.6 -24.3 117.5 68.0 130.1 1455 160 D D H > S+ 0 0 116 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.917 107.7 46.8 -70.2 -42.4 115.6 70.7 132.1 1456 161 D E H > S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.878 112.3 51.1 -65.1 -36.9 112.3 69.3 130.9 1457 162 D A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.921 110.7 48.7 -66.0 -44.0 113.6 65.8 131.7 1458 163 D L H X S+ 0 0 7 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.899 106.7 56.4 -61.8 -42.4 114.6 66.9 135.2 1459 164 D A H X S+ 0 0 47 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.945 109.0 46.1 -54.9 -51.6 111.2 68.6 135.7 1460 165 D I H X S+ 0 0 39 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.920 114.7 46.7 -57.5 -47.9 109.3 65.3 135.0 1461 166 D L H X S+ 0 0 7 -4,-2.1 4,-0.9 1,-0.2 3,-0.3 0.857 113.9 48.4 -65.5 -36.2 111.7 63.3 137.3 1462 167 D R H >< S+ 0 0 116 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.909 106.9 54.4 -71.6 -41.5 111.5 65.8 140.1 1463 168 D D H 3< S+ 0 0 130 -4,-2.6 -1,-0.2 -5,-0.2 4,-0.2 0.650 114.0 44.5 -66.9 -12.9 107.7 66.1 140.0 1464 169 D A H >< S+ 0 0 6 -4,-0.6 3,-0.6 -3,-0.3 4,-0.4 0.607 89.0 87.5-104.3 -16.2 107.6 62.3 140.4 1465 170 D Q G X< S+ 0 0 87 -4,-0.9 3,-1.1 -3,-0.6 4,-0.4 0.828 80.8 60.4 -53.5 -39.7 110.2 62.0 143.1 1466 171 D P G > S+ 0 0 94 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.897 107.1 43.9 -58.1 -43.1 107.8 62.5 146.1 1467 172 D Q G <> S+ 0 0 80 -3,-0.6 4,-2.9 1,-0.2 5,-0.3 0.406 83.7 99.2 -85.3 3.2 105.7 59.4 145.2 1468 173 D R H <> S+ 0 0 24 -3,-1.1 4,-1.8 -4,-0.4 -1,-0.2 0.886 83.0 50.1 -57.0 -40.0 108.6 57.1 144.5 1469 174 D A H <> S+ 0 0 78 -3,-0.6 4,-1.5 -4,-0.4 -1,-0.2 0.923 114.7 43.5 -64.0 -46.1 108.3 55.6 148.0 1470 175 D A H > S+ 0 0 59 -4,-0.3 4,-2.5 2,-0.2 3,-0.4 0.961 113.1 49.1 -64.7 -54.5 104.6 54.9 147.6 1471 176 D R H X S+ 0 0 52 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.863 107.4 58.3 -54.6 -38.0 104.7 53.6 144.0 1472 177 D T H X S+ 0 0 23 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.920 108.6 43.9 -58.6 -45.8 107.5 51.3 145.1 1473 178 D A H X S+ 0 0 58 -4,-1.5 4,-1.8 -3,-0.4 -2,-0.2 0.933 112.0 53.1 -65.5 -46.3 105.4 49.7 147.8 1474 179 D T H X S+ 0 0 48 -4,-2.5 4,-3.4 1,-0.2 5,-0.4 0.929 111.1 46.9 -54.0 -48.9 102.4 49.4 145.4 1475 180 D L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 224,-0.4 0.928 110.6 50.9 -60.2 -49.2 104.5 47.6 142.8 1476 181 D I H < S+ 0 0 101 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.789 118.7 40.1 -61.5 -26.2 106.0 45.2 145.3 1477 182 D E H < S+ 0 0 155 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.885 128.9 23.7 -90.1 -43.6 102.5 44.4 146.5 1478 183 D Q H < S- 0 0 90 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.651 92.2-142.4-100.5 -17.9 100.4 44.3 143.3 1479 184 D G < - 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