==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-FEB-11 3QR1 . COMPND 2 MOLECULE: PHOSPHOLIPASE C-BETA (PLC-BETA); . SOURCE 2 ORGANISM_SCIENTIFIC: LOLIGO PEALEI; . AUTHOR A.M.LYON,K.C.SUDDALA,J.K.NORTHUP,J.J.G.TESMER . 1556 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1041 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 230 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 115 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 172 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 380 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.3 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 12 2 0 2 4 8 8 4 0 2 4 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 4 0 5 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 12 6 8 4 4 4 4 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 4 0 1 0 3 0 0 2 0 1 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 11 A I 0 0 146 0, 0.0 306,-0.1 0, 0.0 305,-0.0 0.000 360.0 360.0 360.0 115.1 1.1 37.7 10.5 2 12 A E + 0 0 166 2,-0.0 2,-0.1 309,-0.0 310,-0.0 0.638 360.0 108.8 -83.6 -12.2 1.9 36.8 6.9 3 13 A L - 0 0 43 303,-0.1 2,-0.3 1,-0.0 307,-0.1 -0.341 48.1-170.9 -63.1 138.8 0.8 33.1 7.0 4 14 A K - 0 0 159 -2,-0.1 131,-0.4 3,-0.0 130,-0.1 -0.907 23.4-107.9-132.5 157.1 -2.4 32.2 5.1 5 15 A W - 0 0 111 -2,-0.3 129,-0.0 1,-0.1 125,-0.0 -0.389 54.7 -76.2 -75.3 161.4 -4.6 29.2 4.8 6 16 A P - 0 0 25 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.243 39.2-162.0 -61.1 148.5 -4.7 27.1 1.5 7 17 A N - 0 0 137 119,-0.1 31,-0.1 -3,-0.1 123,-0.0 -0.819 5.1-164.7-138.9 90.1 -6.5 28.5 -1.4 8 18 A V - 0 0 12 29,-0.8 5,-0.0 -2,-0.4 31,-0.0 -0.704 18.8-130.2 -85.8 118.7 -7.3 25.8 -4.0 9 19 A P >> - 0 0 37 0, 0.0 4,-1.3 0, 0.0 3,-1.2 -0.292 22.4-110.7 -67.0 148.9 -8.3 27.2 -7.4 10 20 A E H 3> S+ 0 0 175 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.845 115.2 66.4 -41.7 -43.3 -11.4 26.0 -9.2 11 21 A Q H 3> S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.886 104.6 41.7 -51.8 -44.5 -9.2 24.3 -11.8 12 22 A L H <4 S+ 0 0 0 -3,-1.2 23,-1.9 2,-0.2 -1,-0.2 0.796 114.3 50.6 -75.7 -31.1 -7.8 21.8 -9.2 13 23 A I H < S+ 0 0 48 -4,-1.3 -2,-0.2 21,-0.2 -1,-0.2 0.951 116.7 40.4 -71.7 -48.2 -11.2 21.1 -7.5 14 24 A K H < S- 0 0 179 -4,-3.0 -2,-0.2 -5,-0.1 -3,-0.2 0.874 118.5-141.8 -63.3 -39.7 -12.8 20.4 -10.9 15 25 A G < - 0 0 12 -4,-2.1 2,-0.3 -5,-0.4 19,-0.2 -0.144 10.8-106.3 106.1 165.0 -9.6 18.6 -11.8 16 26 A D E -A 33 0A 20 17,-1.8 17,-2.6 -4,-0.2 2,-0.4 -0.952 29.8-109.3-130.4 155.2 -7.1 17.9 -14.6 17 27 A K E +A 32 0A 111 -2,-0.3 2,-0.3 15,-0.2 98,-0.3 -0.679 41.8 162.4 -87.6 132.0 -6.4 14.9 -16.8 18 28 A F E -A 31 0A 1 13,-2.3 13,-3.4 -2,-0.4 2,-0.5 -0.960 35.4-127.0-134.9 155.0 -3.2 12.9 -16.3 19 29 A L E -AB 30 113A 12 94,-2.2 94,-1.6 -2,-0.3 2,-0.4 -0.953 26.0-153.7-100.1 134.7 -1.8 9.5 -17.3 20 30 A K E +AB 29 112A 32 9,-3.1 9,-1.8 -2,-0.5 2,-0.3 -0.869 18.2 171.0-107.6 131.1 -0.4 7.6 -14.3 21 31 A W E -AB 28 111A 13 90,-1.6 90,-0.8 -2,-0.4 2,-0.3 -0.875 20.4-138.5-133.6 166.3 2.3 4.9 -14.8 22 32 A E - 0 0 113 5,-0.6 3,-0.3 -2,-0.3 88,-0.1 -0.928 30.4 -96.3-126.0 149.7 4.5 2.9 -12.4 23 33 A E S S+ 0 0 89 -2,-0.3 3,-0.1 1,-0.2 88,-0.0 -0.304 106.1 22.0 -62.8 150.4 8.2 2.0 -12.5 24 34 A G S S+ 0 0 91 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.952 102.1 113.3 54.4 55.6 9.1 -1.5 -14.0 25 35 A S - 0 0 45 -3,-0.3 -1,-0.2 1,-0.1 49,-0.2 -0.982 59.2-151.4-156.8 141.6 5.8 -1.8 -15.9 26 36 A S S S+ 0 0 69 -2,-0.3 -1,-0.1 -3,-0.1 2,-0.1 0.850 77.7 56.1 -80.8 -38.7 4.6 -1.9 -19.5 27 37 A S - 0 0 74 1,-0.0 -5,-0.6 50,-0.0 2,-0.2 -0.242 56.7-174.4 -97.9-178.5 1.1 -0.3 -19.0 28 38 A F E -A 21 0A 88 -7,-0.1 2,-0.3 -2,-0.1 -7,-0.2 -0.811 15.2-127.1-156.5-174.4 -0.5 2.8 -17.6 29 39 A T E -A 20 0A 60 -9,-1.8 -9,-3.1 -2,-0.2 2,-0.4 -0.984 14.4-128.3-152.6 139.5 -3.9 4.5 -16.8 30 40 A E E -A 19 0A 87 -2,-0.3 17,-0.5 -11,-0.2 2,-0.3 -0.798 38.4-177.8 -87.9 133.7 -5.7 7.8 -17.6 31 41 A I E -A 18 0A 3 -13,-3.4 -13,-2.3 -2,-0.4 2,-0.7 -0.906 34.5-127.5-133.0 156.1 -7.0 9.6 -14.5 32 42 A L E -AC 17 45A 58 13,-0.6 13,-0.6 -2,-0.3 2,-0.3 -0.913 34.5-157.0 -99.7 104.9 -8.9 12.6 -13.3 33 43 A L E +AC 16 44A 5 -17,-2.6 -17,-1.8 -2,-0.7 2,-0.3 -0.653 18.8 171.7 -90.4 143.1 -6.7 14.2 -10.6 34 44 A R E - C 0 43A 72 9,-1.4 9,-2.7 -2,-0.3 2,-0.4 -0.987 28.2-150.1-150.8 153.0 -8.3 16.4 -8.0 35 45 A V E - C 0 42A 0 -23,-1.9 7,-0.2 -2,-0.3 -20,-0.1 -0.959 31.1-116.8-119.8 144.1 -7.8 18.4 -4.8 36 46 A D > - 0 0 0 5,-1.2 3,-2.2 -2,-0.4 5,-0.1 -0.456 34.8-104.9 -73.4 155.2 -10.6 19.1 -2.2 37 47 A P T 3 S+ 0 0 56 0, 0.0 -29,-0.8 0, 0.0 -1,-0.1 0.742 121.4 50.0 -55.5 -27.7 -11.6 22.7 -1.6 38 48 A K T 3 S- 0 0 92 -31,-0.1 109,-0.0 109,-0.1 -2,-0.0 0.536 111.8-121.8 -88.6 -8.1 -9.8 22.9 1.7 39 49 A G S < S+ 0 0 1 -3,-2.2 3,-0.1 2,-0.1 -32,-0.1 0.908 72.7 122.1 71.0 49.1 -6.6 21.5 0.2 40 50 A Y + 0 0 6 1,-0.3 17,-1.8 107,-0.1 18,-0.4 0.674 66.3 30.2-109.0 -24.4 -6.1 18.3 2.3 41 51 A F E - D 0 56A 7 15,-0.2 -5,-1.2 16,-0.1 2,-0.4 -0.998 56.7-141.4-142.1 139.8 -6.0 15.4 -0.2 42 52 A L E +CD 35 55A 2 13,-1.8 13,-2.0 -2,-0.3 2,-0.3 -0.863 36.1 176.6 -87.7 134.0 -5.2 14.5 -3.7 43 53 A Y E +CD 34 54A 7 -9,-2.7 -9,-1.4 -2,-0.4 2,-0.3 -1.000 13.0 174.8-144.3 145.6 -7.8 12.1 -5.1 44 54 A W E -CD 33 53A 16 9,-1.6 9,-2.5 -2,-0.3 2,-0.6 -0.993 29.0-122.6-145.8 149.6 -8.5 10.4 -8.4 45 55 A K E -CD 32 52A 80 -13,-0.6 -13,-0.6 -2,-0.3 2,-0.4 -0.882 21.5-138.3 -97.7 118.7 -11.0 7.8 -9.8 46 56 A I > - 0 0 41 5,-1.2 3,-1.0 -2,-0.6 -15,-0.1 -0.674 55.6 -80.5 -72.4 124.4 -9.3 4.7 -11.4 47 57 A E T 3 S- 0 0 127 -17,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.240 94.8 -12.4 -66.7 154.6 -11.5 4.4 -14.4 48 58 A G T 3 S+ 0 0 86 1,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.693 113.0 110.5 40.4 29.0 -15.0 2.9 -14.8 49 59 A K S < S- 0 0 155 -3,-1.0 -1,-0.2 2,-0.2 -2,-0.0 -0.562 79.8 -86.2-124.4-178.0 -14.4 1.4 -11.3 50 60 A E S S+ 0 0 88 -2,-0.2 -1,-0.1 -3,-0.1 2,-0.1 0.961 83.6 2.8 -50.2 -81.0 -15.4 1.7 -7.5 51 61 A D - 0 0 41 1,-0.1 -5,-1.2 -4,-0.1 2,-0.4 -0.137 61.1 -94.1-122.6-164.3 -13.5 4.3 -6.0 52 62 A S E -D 45 0A 14 103,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.790 30.5-139.4-117.7 132.6 -11.2 7.0 -5.6 53 63 A Q E -D 44 0A 102 -9,-2.5 -9,-1.6 -2,-0.4 2,-0.3 -0.689 26.2-155.9 -87.7 154.3 -7.6 6.5 -4.5 54 64 A L E -D 43 0A 54 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.948 21.0-161.3-135.5 155.3 -6.3 9.1 -2.1 55 65 A L E -D 42 0A 8 -13,-2.0 -13,-1.8 -2,-0.3 2,-0.8 -0.990 24.1-136.9-129.9 124.9 -3.0 10.6 -1.0 56 66 A D E > -D 41 0A 38 -2,-0.4 3,-2.2 -15,-0.2 -15,-0.2 -0.776 10.2-148.8 -85.3 112.6 -3.1 12.4 2.4 57 67 A L G > S+ 0 0 5 -17,-1.8 3,-1.3 -2,-0.8 -1,-0.1 0.624 88.1 79.3 -61.6 -16.5 -1.1 15.6 1.8 58 68 A A G 3 S+ 0 0 9 -18,-0.4 -1,-0.3 1,-0.3 -17,-0.1 0.657 103.2 37.5 -58.2 -20.5 0.0 15.6 5.4 59 69 A Y G < S+ 0 0 34 -3,-2.2 42,-3.1 679,-0.1 2,-0.4 0.219 85.5 122.4-119.2 11.3 2.6 13.0 4.3 60 70 A L E < -E 100 0A 0 -3,-1.3 40,-0.3 40,-0.2 3,-0.1 -0.625 36.5-176.3 -70.9 130.5 3.4 14.4 0.9 61 71 A R E - 0 0 8 38,-2.4 2,-0.3 -2,-0.4 39,-0.2 0.877 58.6 -14.5 -95.7 -47.8 7.1 15.1 0.8 62 72 A D E -E 99 0A 0 37,-2.2 37,-2.9 2,-0.0 2,-0.4 -0.981 44.1-158.9-155.4 145.9 7.7 16.7 -2.7 63 73 A I E -E 98 0A 4 -2,-0.3 2,-0.3 35,-0.2 35,-0.2 -0.997 26.0-178.1-121.9 132.7 5.9 17.2 -6.0 64 74 A R E -E 97 0A 18 33,-2.9 33,-1.8 -2,-0.4 2,-0.3 -0.900 7.0-178.8-130.1 153.7 8.2 18.0 -8.9 65 75 A C E > +E 96 0A 30 -2,-0.3 3,-1.9 31,-0.2 31,-0.2 -0.867 47.4 9.7-142.9-176.3 7.9 18.8 -12.6 66 76 A A G > S+ 0 0 34 29,-0.9 3,-1.6 -2,-0.3 28,-0.1 -0.207 128.0 1.2 49.0-127.5 9.8 19.6 -15.9 67 77 A K G 3 S+ 0 0 156 1,-0.3 -1,-0.3 26,-0.1 26,-0.1 0.681 133.8 55.5 -64.9 -21.4 13.5 18.9 -15.5 68 78 A Y G < S+ 0 0 86 -3,-1.9 -1,-0.3 27,-0.1 2,-0.2 0.253 93.2 87.5 -97.9 12.7 13.3 17.7 -11.9 69 79 A A S < S- 0 0 10 -3,-1.6 -4,-0.1 23,-0.2 26,-0.1 -0.639 83.4-107.3-106.2 167.9 10.7 15.0 -12.6 70 80 A K - 0 0 69 -2,-0.2 26,-0.1 -6,-0.1 -2,-0.1 -0.832 31.5-154.2-101.5 108.0 11.3 11.4 -13.6 71 81 A P - 0 0 49 0, 0.0 2,-0.2 0, 0.0 7,-0.1 -0.391 29.0 -95.7 -76.0 154.7 10.4 10.7 -17.2 72 82 A P - 0 0 6 0, 0.0 -49,-0.0 0, 0.0 20,-0.0 -0.482 28.8-171.4 -71.9 140.4 9.4 7.1 -18.3 73 83 A K + 0 0 147 -2,-0.2 -50,-0.0 4,-0.0 2,-0.0 0.749 57.0 100.2 -99.0 -34.4 12.0 4.8 -19.8 74 84 A D S >> S- 0 0 48 -49,-0.2 4,-2.0 1,-0.1 3,-0.6 -0.319 77.0-129.5 -51.7 133.1 9.7 1.9 -21.0 75 85 A K H 3> S+ 0 0 169 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.918 100.7 45.0 -59.7 -48.2 9.1 2.3 -24.7 76 86 A K H 3> S+ 0 0 119 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.606 111.1 52.0 -83.0 -10.2 5.3 2.1 -24.8 77 87 A V H <> S+ 0 0 6 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.894 107.0 54.1 -79.9 -47.9 4.7 4.4 -21.9 78 88 A K H X S+ 0 0 114 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.894 107.3 52.9 -46.5 -49.5 7.0 7.1 -23.5 79 89 A D H X S+ 0 0 95 -4,-1.8 4,-2.0 2,-0.2 3,-0.4 0.944 106.4 51.3 -51.8 -57.9 4.8 6.8 -26.6 80 90 A A H X S+ 0 0 20 -4,-1.1 4,-0.9 1,-0.2 3,-0.3 0.929 110.4 48.4 -44.6 -60.2 1.5 7.4 -24.7 81 91 A G H < S+ 0 0 2 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.762 108.2 54.1 -55.9 -35.3 2.8 10.6 -22.9 82 92 A T H < S+ 0 0 53 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.927 115.0 38.9 -66.8 -44.8 4.1 12.2 -26.1 83 93 A N H < S+ 0 0 115 -4,-2.0 2,-0.4 -3,-0.3 -2,-0.2 0.501 97.4 100.2 -86.1 -2.9 0.8 11.8 -28.0 84 94 A F S < S- 0 0 29 -4,-0.9 2,-0.3 -5,-0.2 30,-0.1 -0.676 97.4 -21.9 -83.7 133.5 -1.1 12.8 -24.8 85 95 A G S S+ 0 0 43 -2,-0.4 2,-0.5 2,-0.1 31,-0.2 -0.512 131.8 5.0 70.4-127.8 -2.3 16.4 -24.7 86 96 A S - 0 0 37 29,-2.3 3,-0.2 -2,-0.3 -2,-0.1 -0.809 59.2-154.9 -94.4 129.3 -0.2 18.5 -27.0 87 97 A S S S+ 0 0 76 -2,-0.5 -1,-0.1 1,-0.2 4,-0.1 0.587 83.7 74.7 -74.3 -13.4 2.4 16.7 -29.1 88 98 A N S S+ 0 0 147 2,-0.1 -1,-0.2 0, 0.0 28,-0.1 0.968 79.7 74.5 -59.4 -60.1 4.6 19.9 -29.4 89 99 A I S S- 0 0 36 -3,-0.2 5,-0.1 1,-0.1 2,-0.0 -0.335 90.7-108.4 -66.9 132.7 6.1 19.9 -25.9 90 100 A P > - 0 0 79 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.339 29.3-116.3 -62.2 142.5 8.9 17.4 -25.0 91 101 A L G >> S+ 0 0 19 1,-0.3 3,-1.8 2,-0.2 4,-0.9 0.837 111.6 66.2 -52.0 -41.7 7.7 14.7 -22.6 92 102 A Q G >4 S+ 0 0 61 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.875 100.0 53.5 -44.9 -41.2 10.1 15.7 -19.9 93 103 A D G <4 S+ 0 0 58 -3,-2.0 -1,-0.3 1,-0.3 -27,-0.2 0.596 105.4 50.3 -78.8 -15.9 8.1 19.0 -19.6 94 104 A K G <4 S+ 0 0 0 -3,-1.8 20,-2.7 -4,-0.5 -1,-0.3 0.507 90.9 112.5 -91.8 -9.9 4.7 17.3 -19.1 95 105 A C E << - F 0 113A 1 -3,-0.9 -29,-0.9 -4,-0.9 2,-0.4 -0.415 42.7-175.0 -79.3 137.1 6.0 15.1 -16.3 96 106 A V E -EF 65 112A 2 16,-2.7 16,-2.6 -31,-0.2 2,-0.5 -0.990 3.3-169.3-129.8 127.4 5.1 15.2 -12.7 97 107 A T E -EF 64 111A 5 -33,-1.8 -33,-2.9 -2,-0.4 2,-0.5 -0.946 4.7-170.1-112.1 127.6 6.7 13.1 -10.0 98 108 A I E -EF 63 110A 2 12,-3.0 12,-2.7 -2,-0.5 2,-0.4 -0.980 0.7-170.7-117.2 130.5 5.2 13.0 -6.4 99 109 A C E +EF 62 109A 0 -37,-2.9 -38,-2.4 -2,-0.5 -37,-2.2 -0.976 11.1 169.9-118.5 135.8 6.9 11.4 -3.5 100 110 A H E +EF 60 108A 46 8,-2.4 8,-2.9 -2,-0.4 -40,-0.2 -0.921 4.9 163.7-137.5 165.0 5.2 10.9 -0.1 101 111 A G - 0 0 5 -42,-3.1 6,-0.1 -2,-0.3 3,-0.0 -0.810 45.6-124.8 176.6 137.2 5.9 9.0 3.1 102 112 A Y S S+ 0 0 97 -2,-0.2 634,-0.3 4,-0.2 2,-0.3 0.811 113.9 19.7 -60.5 -32.2 4.7 8.9 6.7 103 113 A N S S- 0 0 32 3,-0.5 3,-0.2 632,-0.1 -1,-0.1 -0.953 89.4-119.1-129.9 155.8 8.4 9.5 7.4 104 114 A Y S S+ 0 0 3 -2,-0.3 3,-0.2 1,-0.2 244,-0.1 0.404 104.7 60.7 -77.2 1.1 10.9 11.0 4.9 105 115 A I S S+ 0 0 51 1,-0.3 2,-0.9 477,-0.1 -1,-0.2 0.894 100.6 48.5 -93.6 -50.5 13.2 7.9 4.9 106 116 A D S S- 0 0 130 -3,-0.2 -3,-0.5 2,-0.0 -1,-0.3 -0.824 85.5-176.9 -93.2 103.0 10.8 5.2 3.6 107 117 A L - 0 0 25 -2,-0.9 2,-0.3 -3,-0.2 -6,-0.2 -0.654 22.2-156.2-104.1 153.0 9.2 6.9 0.5 108 118 A D E - F 0 100A 93 -8,-2.9 -8,-2.4 -2,-0.2 2,-0.3 -0.934 19.1-141.5-122.1 153.6 6.5 5.9 -2.0 109 119 A W E - F 0 99A 89 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.823 13.9-165.0-123.0 150.7 6.3 7.4 -5.5 110 120 A I E - F 0 98A 17 -12,-2.7 -12,-3.0 -2,-0.3 2,-0.5 -0.981 11.4-160.6-133.7 123.9 3.7 8.6 -7.9 111 121 A H E +BF 21 97A 8 -90,-0.8 -90,-1.6 -2,-0.4 2,-0.3 -0.894 17.6 170.3-110.0 128.1 4.5 9.1 -11.6 112 122 A L E -BF 20 96A 4 -16,-2.6 -16,-2.7 -2,-0.5 2,-0.4 -0.925 24.3-153.4-137.2 156.9 2.2 11.3 -13.8 113 123 A V E -BF 19 95A 2 -94,-1.6 -94,-2.2 -2,-0.3 -18,-0.2 -0.991 18.7-160.5-135.0 125.0 2.1 12.9 -17.2 114 124 A A - 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H 0 198B 0 36,-2.5 36,-2.4 -2,-0.4 -5,-0.1 -0.887 24.6-133.8-104.2 106.9 -21.9 9.3 1.7 163 173 A P E > - H 0 197B 3 0, 0.0 4,-1.2 0, 0.0 3,-0.5 -0.308 6.3-136.6 -64.2 140.6 -21.8 5.6 2.4 164 174 A V H > S+ 0 0 0 32,-3.6 4,-2.5 1,-0.2 3,-0.2 0.874 103.6 60.7 -63.0 -38.2 -21.9 4.6 6.1 165 175 A K H > S+ 0 0 100 31,-0.4 4,-3.3 29,-0.4 -1,-0.2 0.803 102.0 54.3 -61.1 -29.1 -19.1 2.0 5.7 166 176 A S H > S+ 0 0 6 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.885 106.9 49.6 -69.4 -41.2 -16.8 4.9 4.6 167 177 A I H X S+ 0 0 2 -4,-1.2 4,-0.9 2,-0.2 -2,-0.2 0.898 115.3 46.4 -63.8 -39.3 -17.6 6.7 7.8 168 178 A Q H >X S+ 0 0 23 -4,-2.5 4,-2.3 1,-0.2 3,-0.9 0.944 108.0 52.7 -66.4 -49.2 -16.8 3.5 9.6 169 179 A K H 3< S+ 0 0 103 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.832 109.1 52.7 -59.2 -28.8 -13.6 2.7 7.7 170 180 A C H 3< S+ 0 0 29 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.802 117.7 33.8 -77.6 -26.6 -12.3 6.2 8.6 171 181 A L H << S+ 0 0 6 -4,-0.9 2,-0.3 -3,-0.9 -2,-0.2 0.671 122.3 8.4-105.5 -22.5 -12.9 6.0 12.3 172 182 A S < - 0 0 1 -4,-2.3 -1,-0.2 -5,-0.1 475,-0.2 -0.993 26.2-170.9-162.7 153.4 -12.3 2.3 13.2 173 183 A K S S+ 0 0 107 473,-2.5 474,-0.2 -2,-0.3 2,-0.1 0.565 72.2 93.5-110.5 -23.4 -11.2 -1.2 12.3 174 184 A D S > S- 0 0 38 472,-1.6 4,-1.5 1,-0.1 5,-0.1 -0.447 75.1-132.0 -75.7 146.0 -12.5 -2.9 15.5 175 185 A K H > S+ 0 0 153 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.930 104.0 44.3 -68.0 -45.8 -16.0 -4.4 15.5 176 186 A D H > S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.885 113.0 51.7 -63.8 -41.1 -17.3 -2.9 18.8 177 187 A D H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.818 108.1 53.0 -67.3 -28.5 -15.9 0.6 17.9 178 188 A R H X S+ 0 0 92 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.886 107.4 50.9 -70.8 -37.9 -17.7 0.3 14.5 179 189 A T H X S+ 0 0 66 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.802 104.7 57.5 -70.1 -28.4 -21.0 -0.5 16.3 180 190 A R H X S+ 0 0 54 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.946 107.7 47.6 -62.1 -45.9 -20.3 2.6 18.4 181 191 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.899 109.8 54.2 -56.2 -44.5 -20.2 4.6 15.1 182 192 A A H X S+ 0 0 13 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.964 112.1 41.8 -53.0 -58.5 -23.4 2.8 14.0 183 193 A K H X S+ 0 0 133 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.837 112.2 55.0 -62.5 -40.7 -25.3 3.9 17.2 184 194 A A H X S+ 0 0 4 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.920 107.9 49.1 -56.7 -47.7 -23.9 7.4 17.1 185 195 A I H X>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 4,-1.2 0.919 109.8 53.2 -57.6 -42.6 -25.1 7.8 13.5 186 196 A E H ><5S+ 0 0 112 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.901 102.7 56.5 -62.2 -45.2 -28.6 6.6 14.7 187 197 A K H 3<5S+ 0 0 154 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.920 105.7 51.7 -50.9 -48.9 -28.8 9.1 17.5 188 198 A I H 3<5S- 0 0 46 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.805 120.5-112.6 -57.7 -31.8 -28.3 11.9 15.0 189 199 A G T <<5S+ 0 0 63 -4,-1.2 -3,-0.2 -3,-0.5 -2,-0.1 0.581 71.9 132.9 103.3 13.3 -31.2 10.5 12.9 190 200 A W S S- 0 0 27 1,-0.1 3,-1.6 4,-0.1 -29,-0.2 -0.237 72.2-117.3 -80.7 156.9 -27.1 0.3 8.3 194 204 A K T 3 S+ 0 0 161 1,-0.3 -29,-0.4 -30,-0.1 -1,-0.1 0.807 117.5 37.8 -51.3 -34.8 -23.9 -1.5 6.9 195 205 A N T 3 S+ 0 0 112 -31,-0.1 -1,-0.3 -32,-0.1 2,-0.2 0.120 93.9 113.3-112.8 21.4 -25.1 -0.7 3.4 196 206 A D < - 0 0 69 -3,-1.6 -32,-3.6 -5,-0.0 -31,-0.4 -0.550 44.5-159.4 -94.8 159.3 -26.6 2.8 3.8 197 207 A A E -H 163 0B 39 -34,-0.3 2,-0.4 -2,-0.2 -4,-0.1 -0.983 16.7-130.5-132.0 143.9 -25.6 6.1 2.3 198 208 A I E -H 162 0B 3 -36,-2.4 -36,-2.5 -2,-0.3 2,-0.1 -0.826 28.3-113.5 -98.0 131.6 -26.5 9.6 3.6 199 209 A E E >> -H 161 0B 116 -2,-0.4 3,-1.3 -38,-0.2 4,-0.6 -0.405 22.1-127.6 -60.7 135.3 -27.8 12.2 1.1 200 210 A I G >4 S+ 0 0 39 -40,-2.6 3,-1.5 1,-0.3 -1,-0.1 0.876 106.8 61.9 -51.5 -43.0 -25.3 15.1 0.8 201 211 A K G 34 S+ 0 0 181 1,-0.3 -1,-0.3 -41,-0.3 3,-0.1 0.751 106.1 44.5 -57.4 -30.3 -28.1 17.6 1.4 202 212 A A G <4 S+ 0 0 52 -3,-1.3 2,-0.9 1,-0.2 -1,-0.3 0.542 98.3 84.3 -87.6 -7.6 -28.7 16.2 4.9 203 213 A F << + 0 0 1 -3,-1.5 -1,-0.2 -4,-0.6 2,-0.2 -0.477 55.4 156.4-103.4 61.9 -25.0 16.0 5.5 204 214 A D > - 0 0 65 -2,-0.9 4,-1.8 -3,-0.1 3,-0.3 -0.510 51.7-118.0 -82.2 154.5 -23.9 19.5 6.8 205 215 A F H > S+ 0 0 35 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.785 110.7 61.2 -65.0 -28.8 -20.8 20.0 8.8 206 216 A D H > S+ 0 0 49 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.919 109.0 40.8 -66.0 -42.3 -22.8 21.3 11.8 207 217 A T H > S+ 0 0 30 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.832 108.8 62.0 -72.0 -29.6 -24.7 18.1 12.2 208 218 A F H X S+ 0 0 0 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.747 104.0 50.0 -66.9 -21.9 -21.5 16.3 11.5 209 219 A F H X S+ 0 0 1 -4,-1.0 4,-1.9 -3,-0.3 -1,-0.2 0.770 104.5 55.0 -81.7 -31.2 -20.2 18.0 14.6 210 220 A K H X S+ 0 0 83 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.792 103.8 58.2 -67.3 -23.7 -23.3 16.8 16.5 211 221 A F H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.896 103.3 51.2 -69.1 -38.3 -22.2 13.4 15.3 212 222 A Y H X S+ 0 0 0 -4,-0.8 4,-2.0 1,-0.2 -2,-0.2 0.891 110.0 49.3 -63.1 -40.8 -18.9 14.0 17.1 213 223 A L H < S+ 0 0 46 -4,-1.9 -1,-0.2 1,-0.2 5,-0.2 0.836 114.1 45.8 -70.0 -32.1 -20.8 14.9 20.2 214 224 A S H < S+ 0 0 31 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.847 114.2 48.4 -77.1 -34.5 -22.8 11.7 19.9 215 225 A L H < S+ 0 0 4 -4,-2.5 2,-0.3 -5,-0.1 -2,-0.2 0.946 109.5 47.2 -73.3 -53.9 -19.8 9.5 19.1 216 226 A L S < S- 0 0 4 -4,-2.0 2,-0.9 -5,-0.1 426,-0.0 -0.642 72.1-139.0 -91.7 145.8 -17.4 10.5 21.9 217 227 A E - 0 0 101 -2,-0.3 2,-2.5 463,-0.1 3,-0.2 -0.728 21.3-175.9-100.9 81.0 -18.3 10.8 25.6 218 228 A R > + 0 0 15 -2,-0.9 3,-2.3 -5,-0.2 4,-0.3 -0.278 14.6 163.5 -75.6 59.1 -16.3 13.9 26.4 219 229 A S T >> + 0 0 16 -2,-2.5 3,-1.4 1,-0.3 4,-0.7 0.703 61.3 79.4 -53.6 -25.5 -17.2 13.8 30.1 220 230 A E H >> S+ 0 0 13 1,-0.2 4,-1.5 -3,-0.2 3,-0.6 0.842 84.2 62.8 -42.6 -42.1 -14.3 16.2 30.9 221 231 A I H <> S+ 0 0 12 -3,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.670 88.7 68.3 -67.2 -25.0 -16.6 19.1 29.7 222 232 A E H <> S+ 0 0 44 -3,-1.4 4,-2.0 -4,-0.3 -1,-0.2 0.949 107.7 36.7 -56.7 -51.2 -19.2 18.5 32.5 223 233 A G H < S+ 0 0 2 -4,-3.0 3,-1.5 -5,-0.2 -3,-0.2 0.868 80.3 170.6 -77.5 -40.2 -20.9 28.4 34.9 230 240 A Q G >< S- 0 0 17 -4,-2.2 3,-0.8 -5,-0.4 -1,-0.1 -0.262 70.1 -26.8 51.9-143.3 -21.4 27.4 38.5 231 241 A N G 3 S+ 0 0 25 1,-0.2 -1,-0.2 1225,-0.1 3,-0.1 0.379 120.7 89.6 -79.6 6.4 -25.1 27.7 39.7 232 242 A K G < S- 0 0 94 -3,-1.5 2,-1.0 1,-0.2 -1,-0.2 0.381 87.7-132.5 -88.5 3.7 -25.8 30.4 37.1 233 243 A G S < S+ 0 0 42 -3,-0.8 2,-0.2 -7,-0.1 -1,-0.2 -0.722 72.7 28.1 91.6-100.3 -26.9 28.0 34.3 234 244 A N S S- 0 0 38 -2,-1.0 2,-0.7 -3,-0.1 54,-0.2 -0.586 89.9 -95.9 -97.2 161.7 -25.1 29.0 31.1 235 245 A I E -I 287 0C 0 52,-2.3 52,-3.0 -2,-0.2 -6,-0.1 -0.663 44.5-146.5 -80.0 112.9 -21.8 30.8 30.6 236 246 A T E > -I 286 0C 52 -2,-0.7 4,-2.5 50,-0.2 5,-0.2 -0.270 26.5-103.4 -74.8 162.8 -22.4 34.5 30.1 237 247 A T H > S+ 0 0 17 48,-1.3 4,-1.8 1,-0.2 5,-0.1 0.877 123.7 50.6 -46.5 -44.1 -20.5 36.9 27.9 238 248 A V H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 109.9 47.4 -66.3 -47.2 -18.7 38.2 31.1 239 249 A M H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.909 112.0 50.9 -58.4 -46.8 -17.8 34.8 32.4 240 250 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.827 106.7 54.4 -66.9 -35.8 -16.4 33.7 29.1 241 251 A R H X S+ 0 0 58 -4,-1.8 4,-2.5 -5,-0.2 5,-0.3 0.989 109.8 46.3 -55.3 -60.2 -14.3 36.8 28.8 242 252 A D H X>S+ 0 0 83 -4,-2.0 4,-2.7 1,-0.2 5,-0.7 0.817 110.8 54.7 -52.6 -35.9 -12.6 36.1 32.2 243 253 A F H X>S+ 0 0 8 -4,-1.9 5,-2.1 1,-0.2 4,-0.7 0.967 113.1 40.5 -63.3 -52.3 -12.2 32.6 31.1 244 254 A L H <5S+ 0 0 6 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.785 122.0 42.8 -62.4 -30.8 -10.3 33.7 27.9 245 255 A N H <5S+ 0 0 24 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.789 125.5 25.2 -95.6 -31.9 -8.4 36.4 29.8 246 256 A D H ><5S+ 0 0 122 -4,-2.7 3,-0.7 -5,-0.3 -3,-0.2 0.890 131.6 25.7 -94.1 -60.9 -7.4 34.8 33.0 247 257 A M T 3< - 0 0 36 -2,-0.4 3,-1.8 1,-0.1 502,-0.1 -0.597 22.4-139.8 -74.9 125.8 -0.2 33.7 30.2 251 261 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 501,-0.1 0.803 103.7 53.2 -58.9 -28.0 -0.1 36.2 33.1 252 262 A S T 3 S+ 0 0 66 2,-0.1 3,-0.1 3,-0.0 500,-0.1 0.712 80.2 117.3 -73.8 -23.9 3.2 37.5 31.8 253 263 A L S < S- 0 0 60 -3,-1.8 2,-0.5 1,-0.1 -4,-0.0 -0.236 78.0-103.7 -59.2 131.4 1.8 38.2 28.2 254 264 A H > - 0 0 105 1,-0.1 4,-3.3 2,-0.1 3,-0.4 -0.374 23.3-147.7 -70.3 111.7 2.0 42.0 27.4 255 265 A K T 4 S+ 0 0 150 -2,-0.5 5,-0.3 1,-0.2 -1,-0.1 0.767 94.9 39.3 -44.9 -43.0 -1.5 43.6 27.7 256 266 A T T 4 S+ 0 0 119 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.829 117.7 46.0 -86.3 -34.0 -0.9 46.2 24.9 257 267 A L T 4 S+ 0 0 127 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.860 129.3 29.0 -68.5 -35.8 1.0 44.0 22.4 258 268 A F S < S- 0 0 68 -4,-3.3 -1,-0.2 -5,-0.0 -2,-0.1 -0.659 94.4-149.4-126.1 74.7 -1.6 41.3 23.0 259 269 A P - 0 0 97 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.048 18.4-109.3 -57.4 138.9 -4.8 43.1 23.9 260 270 A L - 0 0 67 -5,-0.3 -15,-0.1 1,-0.1 -19,-0.0 -0.245 39.6 -98.4 -55.7 147.5 -7.4 41.4 26.2 261 271 A Y - 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0 0 16 -2,-0.6 4,-2.4 -54,-0.2 5,-0.2 -0.194 36.4 -93.8 -82.4 177.4 -23.9 26.2 26.4 289 299 A K H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.932 127.3 44.2 -53.7 -50.1 -21.8 23.1 27.2 290 300 A E H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.855 109.8 55.8 -72.0 -37.8 -21.6 22.1 23.5 291 301 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.940 110.2 46.6 -52.4 -51.2 -20.7 25.7 22.5 292 302 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.919 110.9 50.0 -60.5 -48.3 -17.8 25.7 24.9 293 303 A L H X S+ 0 0 7 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.878 109.1 54.1 -59.5 -40.8 -16.5 22.3 23.8 294 304 A Y H >X S+ 0 0 21 -4,-2.4 3,-1.5 2,-0.2 4,-1.2 0.945 107.7 49.9 -51.5 -54.6 -16.7 23.6 20.2 295 305 A F H >< S+ 0 0 1 -4,-2.2 3,-1.0 1,-0.3 6,-0.4 0.913 105.8 56.1 -51.2 -48.9 -14.5 26.6 21.1 296 306 A L H 3< S+ 0 0 0 -4,-2.2 433,-0.4 1,-0.3 -1,-0.3 0.645 114.7 39.7 -63.3 -14.7 -12.0 24.3 22.8 297 307 A M H << S+ 0 0 0 -3,-1.5 -155,-2.6 -4,-0.6 -154,-0.5 0.573 101.8 93.1-105.1 -15.6 -11.7 22.4 19.5 298 308 A C S X< S- 0 0 8 -4,-1.2 3,-1.6 -3,-1.0 4,-0.3 -0.180 90.6 -98.2 -85.2 173.2 -11.8 25.4 17.2 299 309 A E G > S+ 0 0 57 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.758 115.2 65.4 -62.3 -26.7 -9.0 27.5 15.7 300 310 A E G 3 S+ 0 0 86 1,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.687 104.6 46.4 -72.0 -19.2 -9.3 30.3 18.3 301 311 A N G < S+ 0 0 1 -3,-1.6 428,-0.3 -6,-0.4 -1,-0.3 0.408 80.7 141.2-104.1 2.7 -8.2 27.9 21.0 302 312 A N < - 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0 0 20 -3,-0.8 4,-1.7 -5,-0.2 5,-0.2 -0.586 50.3-151.9 -72.3 118.4 -22.0 9.5 70.4 916 144 D L H > S+ 0 0 22 -2,-0.5 4,-0.6 1,-0.2 -1,-0.1 0.726 89.4 54.3 -71.7 -26.8 -18.9 9.4 68.2 917 145 D L H 4 S+ 0 0 16 -130,-0.4 3,-0.5 2,-0.2 4,-0.2 0.912 110.8 46.6 -72.3 -42.6 -20.4 7.6 65.2 918 146 D S H >4 S+ 0 0 14 1,-0.2 3,-0.8 2,-0.2 -2,-0.2 0.854 111.1 53.2 -60.5 -38.7 -23.2 10.2 65.0 919 147 D L H 3< S+ 0 0 14 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.666 116.5 39.4 -72.4 -15.4 -20.5 13.0 65.3 920 148 D N T 3< S+ 0 0 3 -4,-0.6 166,-0.3 -3,-0.5 -1,-0.2 0.262 82.5 142.7-117.7 12.9 -18.5 11.4 62.5 921 149 D K < - 0 0 3 -3,-0.8 -3,-0.1 -4,-0.2 2,-0.1 -0.132 48.5-120.4 -58.7 147.3 -21.3 10.5 60.1 922 150 D N >> - 0 0 1 588,-0.1 4,-1.4 1,-0.1 3,-1.0 -0.242 38.8 -85.0 -81.8 178.1 -20.7 10.9 56.3 923 151 D Q H 3> S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.801 127.7 55.9 -63.5 -31.4 -22.8 13.1 54.1 924 152 D L H 3> S+ 0 0 18 155,-2.6 4,-2.0 1,-0.2 -1,-0.3 0.860 107.6 53.7 -64.8 -31.1 -25.6 10.5 53.4 925 153 D G H <> S+ 0 0 9 -3,-1.0 4,-1.8 154,-0.5 -2,-0.2 0.861 108.8 46.3 -66.6 -39.7 -25.9 10.3 57.2 926 154 D E H X S+ 0 0 5 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.857 110.0 54.2 -71.6 -36.6 -26.4 14.1 57.5 927 155 D W H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.887 109.2 48.3 -61.6 -44.0 -28.9 14.1 54.6 928 156 D E H X S+ 0 0 50 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.870 106.2 57.7 -61.3 -40.6 -30.9 11.4 56.5 929 157 D K H X S+ 0 0 11 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.927 108.8 45.6 -56.1 -45.4 -30.6 13.6 59.6 930 158 D L H X S+ 0 0 15 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.901 110.1 55.4 -60.0 -42.0 -32.3 16.3 57.5 931 159 D Y H X S+ 0 0 27 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.914 108.6 46.9 -59.1 -44.0 -34.8 13.7 56.4 932 160 D F H X>S+ 0 0 34 -4,-3.0 4,-1.6 2,-0.2 5,-0.5 0.847 107.6 56.7 -68.1 -33.4 -35.6 12.8 60.0 933 161 D R H X>S+ 0 0 45 -4,-2.0 5,-1.8 1,-0.2 4,-1.4 0.958 112.5 41.3 -57.5 -49.7 -36.0 16.5 60.8 934 162 D L H <5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.697 115.6 52.0 -69.4 -23.1 -38.6 16.8 58.1 935 163 D T H <5S+ 0 0 27 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.659 127.4 15.2 -90.6 -20.8 -40.2 13.4 59.0 936 164 D T H <5S+ 0 0 26 -4,-1.6 -3,-0.2 -3,-0.4 -2,-0.2 0.754 131.8 31.8-117.9 -54.5 -40.7 14.2 62.8 937 165 D V T < S-M 943 0I 63 3,-2.5 3,-0.6 1,-0.1 -2,-0.0 -0.971 70.3 -16.9-135.0 112.8 -47.9 18.3 60.4 941 169 D K T 3 S- 0 0 187 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.880 126.6 -52.9 60.2 44.6 -50.8 15.8 60.1 942 170 D N T 3 S+ 0 0 100 1,-0.2 40,-2.6 39,-0.1 2,-0.4 0.756 118.7 109.0 60.7 30.1 -48.6 13.2 58.2 943 171 D K E < -MN 940 981I 83 -3,-0.6 -3,-2.5 38,-0.2 38,-0.2 -1.000 62.3-142.0-139.4 136.5 -47.6 15.8 55.7 944 172 D I E - N 0 980I 0 36,-2.6 36,-2.5 -2,-0.4 -5,-0.1 -0.861 25.4-134.0-100.4 105.9 -44.2 17.6 55.1 945 173 D P E > - N 0 979I 4 0, 0.0 4,-1.2 0, 0.0 3,-0.4 -0.292 7.3-134.8 -62.7 142.5 -44.7 21.3 54.1 946 174 D V H > S+ 0 0 0 32,-3.5 4,-2.2 1,-0.2 3,-0.3 0.896 103.8 59.9 -63.7 -39.1 -42.6 22.5 51.1 947 175 D K H > S+ 0 0 93 31,-0.4 4,-3.3 29,-0.4 -1,-0.2 0.805 101.3 54.4 -62.3 -31.1 -41.7 25.7 53.0 948 176 D S H > S+ 0 0 5 -3,-0.4 4,-1.7 2,-0.2 -1,-0.3 0.878 107.2 49.9 -67.8 -40.1 -40.0 23.6 55.7 949 177 D I H X S+ 0 0 1 -4,-1.2 4,-0.8 -3,-0.3 -2,-0.2 0.861 115.2 46.7 -63.9 -36.6 -37.9 21.8 53.0 950 178 D Q H >X S+ 0 0 23 -4,-2.2 4,-2.2 2,-0.2 3,-0.8 0.943 108.4 52.0 -70.3 -47.7 -37.1 25.3 51.8 951 179 D K H 3< S+ 0 0 99 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.846 109.3 52.0 -60.1 -33.7 -36.2 26.8 55.2 952 180 D C H 3< S+ 0 0 28 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.775 118.1 34.3 -73.7 -26.0 -33.8 24.0 56.0 953 181 D L H << S+ 0 0 8 -3,-0.8 2,-0.3 -4,-0.8 -2,-0.2 0.659 122.9 7.8-106.2 -19.4 -31.8 24.3 52.7 954 182 D S < - 0 0 1 -4,-2.2 -1,-0.2 -5,-0.1 473,-0.2 -0.998 26.4-170.5-161.8 155.2 -31.9 28.0 52.0 955 183 D K S S+ 0 0 107 471,-2.2 472,-0.2 -2,-0.3 2,-0.1 0.521 71.8 94.2-112.9 -20.0 -32.6 31.6 52.9 956 184 D D S > S- 0 0 37 470,-1.4 4,-1.4 1,-0.1 5,-0.1 -0.451 74.6-132.2 -77.6 147.3 -31.9 33.1 49.4 957 185 D K H > S+ 0 0 151 2,-0.2 4,-2.1 1,-0.2 3,-0.4 0.966 104.5 43.6 -65.5 -50.8 -34.7 33.6 46.9 958 186 D D H > S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.881 113.4 51.9 -61.5 -41.0 -33.0 32.0 43.8 959 187 D D H > S+ 0 0 2 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.802 108.4 52.5 -66.4 -28.1 -31.7 29.1 45.9 960 188 D R H X S+ 0 0 91 -4,-1.4 4,-2.2 -3,-0.4 -2,-0.2 0.903 107.3 51.1 -73.6 -38.5 -35.2 28.5 47.2 961 189 D T H X S+ 0 0 67 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.788 105.1 56.9 -66.4 -30.0 -36.5 28.4 43.5 962 190 D R H X S+ 0 0 47 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.944 107.7 48.4 -60.4 -46.6 -33.8 25.9 42.8 963 191 D V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.897 109.4 53.6 -58.1 -44.0 -35.4 23.8 45.6 964 192 D A H X S+ 0 0 15 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.969 112.2 41.9 -53.0 -57.5 -38.8 24.4 44.0 965 193 D K H X S+ 0 0 127 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.811 111.9 54.9 -66.7 -35.7 -37.8 23.1 40.6 966 194 D A H X S+ 0 0 3 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.924 107.7 49.9 -60.7 -44.9 -35.8 20.2 42.1 967 195 D I H X>S+ 0 0 0 -4,-2.3 5,-1.9 1,-0.2 4,-1.0 0.917 109.6 52.6 -58.9 -43.8 -39.0 19.1 44.0 968 196 D E H ><5S+ 0 0 110 -4,-2.0 3,-1.0 2,-0.2 -2,-0.2 0.919 102.5 56.9 -57.3 -50.6 -41.0 19.4 40.7 969 197 D K H 3<5S+ 0 0 149 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.919 104.9 52.7 -47.0 -50.5 -38.5 17.1 38.8 970 198 D I H 3<5S- 0 0 47 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.820 120.3-114.3 -56.3 -30.5 -39.1 14.4 41.4 971 199 D G T <<5S+ 0 0 62 -3,-1.0 -3,-0.2 -4,-1.0 -2,-0.1 0.598 71.4 133.4 98.7 16.0 -42.8 14.8 40.8 972 200 D W S S- 0 0 29 1,-0.1 3,-1.3 4,-0.1 -29,-0.2 -0.137 73.7-113.7 -71.7 159.7 -45.9 25.3 45.5 976 204 D K T 3 S+ 0 0 158 1,-0.3 -29,-0.4 -30,-0.1 -1,-0.1 0.809 116.9 35.5 -55.3 -34.1 -45.1 27.7 48.3 977 205 D N T 3 S+ 0 0 108 -31,-0.1 -1,-0.3 -32,-0.1 2,-0.1 0.176 93.5 114.4-112.4 15.8 -48.0 26.3 50.4 978 206 D D < - 0 0 70 -3,-1.3 -32,-3.5 -33,-0.1 -31,-0.4 -0.421 45.0-156.7 -89.6 162.8 -48.0 22.6 49.5 979 207 D A E -N 945 0I 38 -34,-0.3 2,-0.5 -33,-0.1 -4,-0.1 -0.989 15.4-130.2-133.3 144.0 -47.2 19.6 51.7 980 208 D I E -N 944 0I 3 -36,-2.5 -36,-2.6 -2,-0.3 2,-0.1 -0.825 28.6-113.8 -95.7 130.8 -46.0 16.1 50.6 981 209 D E E >> -N 943 0I 115 -2,-0.5 3,-1.4 -38,-0.2 4,-0.7 -0.406 21.5-128.2 -59.3 132.1 -47.9 13.1 51.9 982 210 D I G >4 S+ 0 0 37 -40,-2.6 3,-1.5 1,-0.2 -1,-0.1 0.866 106.5 62.4 -48.5 -42.5 -45.7 11.0 54.3 983 211 D K G 34 S+ 0 0 180 1,-0.3 -1,-0.2 -41,-0.3 3,-0.1 0.755 106.2 43.7 -58.4 -31.1 -46.5 7.8 52.2 984 212 D A G <4 S+ 0 0 49 -3,-1.4 2,-0.9 1,-0.2 -1,-0.3 0.570 98.5 84.3 -86.8 -8.8 -44.9 9.3 49.1 985 213 D F << + 0 0 1 -3,-1.5 -1,-0.2 -4,-0.7 2,-0.1 -0.498 55.7 158.1-102.6 62.9 -41.9 10.6 51.0 986 214 D D > - 0 0 63 -2,-0.9 4,-1.6 -3,-0.1 3,-0.3 -0.461 51.0-117.7 -80.7 156.6 -39.5 7.7 51.3 987 215 D F H > S+ 0 0 37 1,-0.2 4,-0.9 2,-0.2 5,-0.1 0.827 111.2 60.4 -66.6 -29.0 -35.8 8.3 52.0 988 216 D D H > S+ 0 0 50 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.890 108.3 41.9 -67.1 -39.9 -34.8 6.8 48.7 989 217 D T H > S+ 0 0 29 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.774 108.3 62.1 -75.1 -25.5 -36.8 9.3 46.6 990 218 D F H X S+ 0 0 0 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.711 103.9 49.1 -70.4 -21.1 -35.5 12.0 49.0 991 219 D F H X S+ 0 0 1 -4,-0.9 4,-2.0 -3,-0.3 -2,-0.2 0.790 104.9 55.8 -83.6 -33.4 -32.1 11.0 47.8 992 220 D K H X S+ 0 0 83 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.832 104.1 57.3 -60.8 -29.1 -33.3 11.3 44.2 993 221 D F H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.901 103.3 51.2 -66.4 -40.4 -34.2 14.8 45.4 994 222 D Y H X S+ 0 0 0 -4,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.887 109.7 49.8 -63.7 -40.4 -30.6 15.4 46.3 995 223 D L H < S+ 0 0 45 -4,-2.0 5,-0.2 1,-0.2 -1,-0.2 0.868 113.7 46.5 -65.0 -37.7 -29.5 14.2 42.8 996 224 D S H < S+ 0 0 32 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.832 114.6 47.1 -73.0 -32.5 -32.1 16.6 41.3 997 225 D L H < S+ 0 0 4 -4,-2.2 2,-0.3 -5,-0.1 -2,-0.2 0.938 109.9 48.5 -77.0 -53.5 -31.1 19.6 43.6 998 226 D L S < S- 0 0 4 -4,-2.2 2,-1.0 -5,-0.1 424,-0.0 -0.678 71.0-141.0 -89.8 143.2 -27.3 19.5 43.3 999 227 D E - 0 0 96 -2,-0.3 2,-2.2 461,-0.1 3,-0.2 -0.739 20.9-176.8 -97.4 84.4 -25.3 19.3 40.0 1000 228 D R > + 0 0 13 -2,-1.0 3,-2.4 -5,-0.2 4,-0.3 -0.254 13.9 163.6 -78.7 56.6 -22.6 17.0 41.2 1001 229 D S T >> + 0 0 17 -2,-2.2 3,-1.3 1,-0.3 4,-0.7 0.662 61.1 79.8 -52.0 -23.6 -20.7 17.2 37.8 1002 230 D E H >> S+ 0 0 12 1,-0.2 4,-1.5 -3,-0.2 3,-0.8 0.897 83.6 63.1 -43.5 -45.7 -17.6 15.8 39.4 1003 231 D I H <> S+ 0 0 13 -3,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.717 88.8 68.6 -61.4 -25.6 -19.2 12.3 39.2 1004 232 D E H <> S+ 0 0 44 -3,-1.3 4,-1.7 -4,-0.3 -1,-0.2 0.939 107.7 35.7 -60.4 -49.2 -19.2 12.3 35.4 1005 233 D G H < S+ 0 0 4 -4,-2.7 3,-1.7 -5,-0.2 -3,-0.2 0.843 79.7 170.9 -83.6 -39.9 -16.1 2.7 33.7 1012 240 D Q G >< S- 0 0 23 -4,-1.7 3,-0.8 -5,-0.4 -1,-0.1 -0.238 70.9 -26.0 52.4-145.7 -14.4 3.8 30.6 1013 241 D N G 3 S+ 0 0 37 1,-0.2 -1,-0.2 -337,-0.1 3,-0.1 0.404 120.3 89.2 -75.3 3.5 -16.0 2.6 27.4 1014 242 D K G < S- 0 0 116 -3,-1.7 2,-0.9 1,-0.2 -1,-0.2 0.498 88.5-130.4 -85.0 -2.6 -17.5 -0.5 29.1 1015 243 D G S < S+ 0 0 44 -3,-0.8 2,-0.2 -7,-0.1 -1,-0.2 -0.781 72.7 25.1 95.5 -99.6 -20.8 1.1 30.2 1016 244 D N S S- 0 0 39 -2,-0.9 2,-0.7 -3,-0.1 54,-0.2 -0.554 89.6 -93.8 -98.9 167.4 -21.4 0.5 33.9 1017 245 D I E -O 1069 0J 0 52,-2.5 52,-3.2 -2,-0.2 -6,-0.1 -0.723 44.9-146.7 -83.1 113.3 -19.0 -0.3 36.7 1018 246 D T E > -O 1068 0J 50 -2,-0.7 4,-2.7 50,-0.2 5,-0.3 -0.276 27.2-103.0 -77.3 164.1 -18.7 -4.1 37.1 1019 247 D T H > S+ 0 0 19 48,-1.2 4,-2.1 1,-0.2 5,-0.1 0.907 124.2 50.3 -46.2 -46.4 -18.1 -6.0 40.4 1020 248 D V H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 110.1 47.4 -64.8 -45.1 -14.5 -6.4 39.4 1021 249 D M H > S+ 0 0 51 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.930 111.9 50.9 -61.2 -46.4 -13.9 -2.8 38.6 1022 250 D F H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.848 107.0 53.6 -64.0 -38.5 -15.5 -1.6 41.8 1023 251 D R H X S+ 0 0 54 -4,-2.1 4,-2.3 -5,-0.3 5,-0.3 0.987 109.7 47.6 -55.1 -58.1 -13.3 -4.0 43.8 1024 252 D D H X>S+ 0 0 82 -4,-2.1 4,-2.0 1,-0.3 5,-0.7 0.767 110.3 53.9 -57.3 -30.1 -10.2 -2.6 42.3 1025 253 D F H X>S+ 0 0 7 -4,-1.7 5,-1.9 2,-0.2 4,-0.6 0.956 113.0 41.4 -66.2 -50.5 -11.5 0.8 43.0 1026 254 D L H <5S+ 0 0 6 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.775 121.3 43.0 -66.0 -29.4 -12.0 0.0 46.7 1027 255 D N H <5S+ 0 0 26 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.722 125.5 25.3 -96.6 -29.5 -8.7 -1.9 46.9 1028 256 D D H ><5S+ 0 0 122 -4,-2.0 3,-0.7 -5,-0.3 -3,-0.2 0.859 131.7 25.2 -97.7 -62.0 -6.3 0.4 45.0 1029 257 D M T 3< - 0 0 38 -2,-0.4 3,-1.5 1,-0.1 500,-0.1 -0.515 23.1-140.1 -68.2 128.3 -3.5 3.2 51.7 1033 261 D P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 499,-0.1 0.852 103.1 54.5 -62.4 -29.8 -0.8 1.2 50.0 1034 262 D S T 3 S+ 0 0 68 2,-0.1 3,-0.1 3,-0.0 498,-0.1 0.656 80.2 118.1 -70.1 -20.3 1.0 0.8 53.4 1035 263 D L S < S- 0 0 59 -3,-1.5 2,-0.4 1,-0.1 -4,-0.0 -0.299 77.5-105.1 -61.5 129.7 -2.2 -0.7 55.1 1036 264 D H > - 0 0 107 1,-0.1 4,-2.8 2,-0.1 -1,-0.1 -0.360 22.7-147.0 -68.7 114.7 -1.6 -4.2 56.3 1037 265 D K T 4 S+ 0 0 146 -2,-0.4 5,-0.3 1,-0.2 -1,-0.1 0.798 94.8 39.5 -48.4 -41.1 -3.3 -6.8 54.1 1038 266 D T T 4 S+ 0 0 115 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.862 116.3 47.2 -85.2 -37.5 -4.1 -9.3 56.9 1039 267 D L T 4 S+ 0 0 129 1,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.869 129.1 28.0 -64.9 -35.2 -5.1 -6.9 59.6 1040 268 D F S < S- 0 0 69 -4,-2.8 -1,-0.2 -5,-0.0 -2,-0.1 -0.674 94.4-148.6-129.1 74.2 -7.3 -5.0 57.1 1041 269 D P - 0 0 99 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.025 17.9-108.9 -59.8 142.4 -8.4 -7.5 54.5 1042 270 D L - 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