==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-FEB-12 4DJ5 . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR E.PECHKOVA,V.SIVOZHELEZOV,L.BELMONTE,C.NICOLINI . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10473.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.1 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 19 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 1 0 1 0 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 1 2 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 . 1 3 0 0 1 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 . 3 0 0 0 0 0 0 0 1 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 X A 0 0 33 0, 0.0 24,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 152.4 -24.6 21.3 -17.6 2 2 X A E -A 24 0A 66 22,-0.2 2,-0.6 277,-0.0 22,-0.2 -0.997 360.0-167.1-132.4 126.1 -26.4 23.6 -15.2 3 3 X Q E > -A 23 0A 30 20,-2.8 20,-2.2 -2,-0.4 3,-0.6 -0.936 20.3-149.3-110.7 110.8 -27.9 22.6 -11.9 4 4 X T T 3 S+ 0 0 95 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.331 75.6 19.1 -79.2 161.4 -30.1 25.4 -10.6 5 5 X N T 3 S+ 0 0 142 1,-0.1 -1,-0.2 -2,-0.0 17,-0.2 0.845 88.5 169.8 43.0 48.8 -30.6 26.1 -6.8 6 6 X A < - 0 0 9 15,-2.3 -1,-0.1 -3,-0.6 76,-0.1 -0.346 48.0 -81.6 -77.5 155.5 -27.4 24.1 -6.1 7 7 X P >> - 0 0 19 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.352 48.9-112.8 -51.2 145.4 -25.9 24.1 -2.6 8 8 X W H 3> S+ 0 0 25 1,-0.2 4,-2.6 199,-0.2 12,-0.2 0.820 114.5 58.8 -54.6 -34.3 -23.8 27.3 -2.4 9 9 X G H 3> S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 106.0 47.7 -66.1 -41.1 -20.5 25.4 -2.3 10 10 X L H <> S+ 0 0 0 -3,-0.7 4,-0.9 1,-0.2 14,-0.3 0.947 113.7 47.6 -63.3 -50.0 -21.2 23.7 -5.7 11 11 X A H >< S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.909 111.3 52.7 -57.0 -39.8 -22.2 27.1 -7.2 12 12 X R H >< S+ 0 0 4 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.888 102.4 57.2 -64.8 -40.3 -19.0 28.7 -5.7 13 13 X I H 3< S+ 0 0 0 -4,-2.0 262,-3.0 1,-0.3 263,-0.3 0.662 111.5 42.0 -68.6 -17.6 -16.6 26.1 -7.2 14 14 X S T << S+ 0 0 9 -4,-0.9 2,-0.4 -3,-0.8 -1,-0.3 0.149 106.1 86.1-111.5 23.4 -17.8 26.8 -10.8 15 15 X S < - 0 0 16 -3,-1.6 242,-0.1 -5,-0.1 261,-0.1 -0.950 62.4-151.7-129.7 147.0 -17.9 30.6 -10.3 16 16 X T S S+ 0 0 97 -2,-0.4 -1,-0.1 2,-0.1 -4,-0.1 0.457 91.9 41.0 -81.0 -7.0 -15.6 33.6 -10.6 17 17 X S S S- 0 0 52 -5,-0.1 3,-0.3 240,-0.0 2,-0.1 -0.987 81.2-119.2-142.9 146.1 -17.8 35.4 -7.9 18 18 X P S S+ 0 0 56 0, 0.0 168,-0.1 0, 0.0 3,-0.1 -0.358 85.2 57.1 -68.3 169.7 -19.6 34.5 -4.7 19 19 X G S S+ 0 0 74 166,-0.4 2,-0.3 1,-0.3 167,-0.1 0.669 74.5 114.9 83.5 21.1 -23.3 34.9 -4.4 20 20 X T - 0 0 61 -3,-0.3 -1,-0.3 -12,-0.2 -8,-0.1 -0.746 46.7-158.5-117.1 167.2 -24.6 32.7 -7.2 21 21 X S + 0 0 59 -2,-0.3 -15,-2.3 -10,-0.1 2,-0.4 0.292 58.9 92.0-132.8 7.1 -26.7 29.5 -6.9 22 22 X T - 0 0 24 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.921 59.9-147.0-109.6 131.9 -26.3 27.6 -10.2 23 23 X Y E -A 3 0A 1 -20,-2.2 -20,-2.8 -2,-0.4 2,-0.4 -0.880 14.2-164.2 -98.1 128.7 -23.5 24.9 -10.4 24 24 X Y E +A 2 0A 94 -2,-0.5 2,-0.3 -14,-0.3 -22,-0.2 -0.940 19.9 151.5-117.1 132.3 -22.1 24.5 -13.9 25 25 X Y - 0 0 32 -24,-1.8 2,-0.1 -2,-0.4 -11,-0.0 -0.994 50.6 -89.1-156.4 154.6 -20.0 21.5 -15.0 26 26 X D > - 0 0 47 -2,-0.3 3,-1.8 1,-0.1 4,-0.1 -0.475 40.9-124.9 -65.9 136.6 -19.0 19.3 -17.9 27 27 X E T 3 S+ 0 0 114 1,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.673 103.4 81.4 -61.3 -19.7 -21.6 16.5 -18.3 28 28 X S T > S- 0 0 35 1,-0.1 3,-2.3 2,-0.1 -1,-0.3 0.875 75.5-175.0 -55.3 -36.8 -18.8 13.9 -18.1 29 29 X A T < - 0 0 0 -3,-1.8 58,-3.0 1,-0.3 59,-0.4 0.700 65.3 -53.3 53.2 39.5 -19.1 14.5 -14.3 30 30 X G T > S+ 0 0 0 206,-0.4 3,-1.9 1,-0.2 -1,-0.3 0.600 85.4 167.1 72.6 13.5 -16.2 12.4 -13.1 31 31 X Q T < + 0 0 126 -3,-2.3 -1,-0.2 1,-0.2 57,-0.2 -0.380 65.9 24.8 -59.1 135.2 -17.4 9.3 -15.0 32 32 X G T 3 S+ 0 0 24 55,-0.5 93,-2.9 1,-0.4 94,-0.7 0.395 105.2 100.2 90.5 -1.4 -14.7 6.6 -15.1 33 33 X S E < -b 126 0B 1 -3,-1.9 56,-1.8 92,-0.2 -1,-0.4 -0.617 58.9-145.1-108.6 170.7 -12.9 7.9 -12.0 34 34 X a E -bc 127 89B 0 92,-1.9 94,-2.7 -2,-0.2 2,-0.4 -1.000 6.6-163.2-135.4 148.2 -13.1 6.7 -8.4 35 35 X V E -bc 128 90B 0 54,-2.8 56,-2.4 -2,-0.4 2,-0.4 -0.986 8.5-152.8-132.1 125.6 -13.0 8.4 -5.0 36 36 X Y E -bc 129 91B 0 92,-2.7 94,-3.1 -2,-0.4 2,-0.6 -0.794 6.3-157.4 -89.1 133.4 -12.3 6.7 -1.8 37 37 X V E -bc 130 92B 0 54,-2.6 56,-2.2 -2,-0.4 2,-0.8 -0.952 6.3-163.0-114.2 110.0 -13.9 8.3 1.2 38 38 X I E +bc 131 93B 0 92,-2.3 94,-0.5 -2,-0.6 2,-0.2 -0.850 51.2 86.8-101.6 107.5 -11.9 7.2 4.3 39 39 X D E S- c 0 94B 0 54,-2.5 57,-2.3 -2,-0.8 56,-1.3 -0.637 96.7 -33.2-171.1-145.5 -14.2 8.1 7.1 40 40 X T S S- 0 0 0 1,-0.4 26,-0.4 -2,-0.2 27,-0.3 0.328 98.1 -94.3 -88.5 6.3 -17.1 6.6 9.2 41 41 X G - 0 0 0 52,-0.4 2,-0.4 -4,-0.2 -1,-0.4 -0.544 38.6 -90.8 111.5-173.7 -18.4 4.8 6.2 42 42 X I - 0 0 4 21,-0.5 2,-1.8 -2,-0.2 3,-0.1 -0.994 18.8-130.1-143.4 131.3 -21.0 5.5 3.5 43 43 X E > - 0 0 42 -2,-0.4 3,-1.8 1,-0.2 6,-0.2 -0.618 30.6-176.1 -80.0 93.4 -24.7 4.8 3.5 44 44 X A T 3 S+ 0 0 34 -2,-1.8 7,-0.5 1,-0.3 9,-0.4 0.761 73.8 65.4 -67.5 -22.7 -24.6 3.2 -0.0 45 45 X S T 3 S+ 0 0 103 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.584 70.4 120.0 -78.3 -9.1 -28.3 2.7 -0.1 46 46 X H X> - 0 0 11 -3,-1.8 3,-2.4 1,-0.2 4,-0.7 -0.315 69.8-133.1 -55.1 127.9 -29.0 6.4 -0.0 47 47 X P G >4 S+ 0 0 105 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.813 101.7 72.5 -55.3 -29.0 -31.0 7.3 -3.3 48 48 X E G 34 S+ 0 0 26 1,-0.2 32,-2.6 2,-0.1 33,-0.1 0.738 93.6 53.6 -56.9 -22.2 -28.6 10.2 -3.8 49 49 X F G X4 S- 0 0 0 -3,-2.4 3,-2.3 30,-0.2 -1,-0.2 0.686 90.1-151.2 -92.3 -18.4 -25.8 7.8 -4.7 50 50 X E T << - 0 0 95 -3,-0.9 -2,-0.1 -4,-0.7 -5,-0.1 0.793 68.6 -55.4 61.4 29.0 -27.8 6.0 -7.4 51 51 X G T 3 S+ 0 0 64 -7,-0.5 -1,-0.3 -5,-0.4 -6,-0.1 0.476 117.1 109.5 83.9 -3.7 -25.9 2.7 -7.0 52 52 X R < + 0 0 22 -3,-2.3 38,-2.9 -8,-0.1 2,-0.4 0.441 63.9 75.0 -85.9 -3.3 -22.5 4.4 -7.5 53 53 X A E +d 90 0B 6 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.868 53.3 162.6-108.7 148.0 -21.4 4.0 -3.8 54 54 X Q E -d 91 0B 107 36,-1.6 38,-2.5 -2,-0.4 2,-0.4 -0.970 37.7-116.5-155.4 146.3 -20.3 0.9 -2.0 55 55 X M E +d 92 0B 42 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.730 30.1 173.5 -74.7 132.0 -18.4 -0.0 1.1 56 56 X V E + 0 0 28 36,-2.5 2,-0.3 -2,-0.4 37,-0.2 0.596 60.9 10.8-114.0 -14.5 -15.1 -1.8 0.4 57 57 X K E +d 93 0B 73 35,-1.3 37,-2.6 6,-0.1 -1,-0.3 -0.968 51.0 179.4-161.6 143.5 -13.5 -2.1 3.9 58 58 X T E -d 94 0B 38 -2,-0.3 37,-0.2 35,-0.2 5,-0.1 -0.976 19.2-159.7-140.8 156.2 -14.2 -1.6 7.6 59 59 X Y S S+ 0 0 71 35,-1.4 2,-0.2 -2,-0.3 36,-0.1 0.244 77.1 66.2-109.7 10.6 -12.0 -2.1 10.7 60 60 X Y S S- 0 0 37 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.614 104.9 -81.2-127.8 178.8 -15.1 -2.4 13.1 61 61 X Y S S+ 0 0 236 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.741 112.9 25.9 -63.1 -17.1 -18.0 -4.8 13.6 62 62 X S - 0 0 44 2,-0.1 -2,-0.4 1,-0.1 -3,-0.2 -0.964 58.8-144.4-141.5 153.8 -19.9 -3.3 10.7 63 63 X S + 0 0 48 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.456 69.5 117.4 -88.5 -2.2 -19.3 -1.3 7.5 64 64 X R S S- 0 0 161 -23,-0.1 2,-1.1 1,-0.1 -2,-0.1 -0.329 73.1-122.6 -63.5 138.1 -22.5 0.7 8.2 65 65 X D + 0 0 10 1,-0.2 -24,-0.1 -23,-0.1 -1,-0.1 -0.768 36.7 171.1 -76.4 104.3 -22.1 4.5 8.7 66 66 X G S S+ 0 0 28 -2,-1.1 -1,-0.2 -26,-0.4 -25,-0.1 0.295 73.8 48.9 -95.4 9.9 -23.7 4.8 12.2 67 67 X N S S- 0 0 44 -27,-0.3 146,-0.1 30,-0.0 -1,-0.1 0.819 88.6-137.0-111.0 -56.9 -22.6 8.4 12.4 68 68 X G S > S+ 0 0 0 144,-0.1 4,-2.8 -28,-0.1 5,-0.2 -0.071 78.2 98.9 119.4 -33.6 -23.5 10.4 9.2 69 69 X H H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.937 85.6 46.0 -58.2 -45.0 -20.1 12.3 8.7 70 70 X G H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.903 114.0 49.6 -64.9 -40.3 -18.8 9.8 6.1 71 71 X T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 140,-0.4 0.905 110.3 50.2 -63.2 -43.3 -22.1 9.8 4.2 72 72 X H H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 139,-0.3 0.948 112.7 46.3 -60.9 -47.4 -22.2 13.6 4.3 73 73 X C H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 3,-0.2 0.936 112.4 50.0 -64.5 -43.4 -18.6 13.8 2.9 74 74 X A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.877 106.7 56.6 -61.2 -37.1 -19.3 11.2 0.2 75 75 X G H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.882 105.9 49.7 -62.9 -34.6 -22.4 13.1 -0.8 76 76 X T H < S+ 0 0 1 -4,-1.8 8,-2.5 -3,-0.2 9,-0.2 0.884 113.7 47.5 -71.9 -33.9 -20.3 16.3 -1.4 77 77 X V H < S- 0 0 0 -4,-2.0 8,-3.0 6,-0.2 -2,-0.2 0.956 138.2 -11.6 -63.4 -52.8 -17.9 14.3 -3.5 78 78 X G H < S+ 0 0 0 -4,-2.7 -3,-0.2 5,-0.2 -2,-0.2 0.330 81.2 130.5-148.1 9.5 -20.4 12.5 -5.7 79 79 X S X - 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -30,-0.2 -0.388 62.5-116.6 -69.9 158.8 -24.1 12.5 -4.8 80 80 X R T 4 S+ 0 0 140 -32,-2.6 -1,-0.1 1,-0.2 6,-0.1 0.911 109.5 22.1 -64.0 -41.5 -26.5 13.4 -7.7 81 81 X T T 4 S+ 0 0 33 -33,-0.1 -1,-0.2 1,-0.1 5,-0.1 0.870 134.5 31.4 -90.5 -38.6 -27.8 16.6 -5.9 82 82 X Y T 4 S+ 0 0 37 -7,-0.1 2,-0.2 -76,-0.1 -2,-0.2 0.416 98.8 101.8-106.1 -0.3 -25.1 17.6 -3.5 83 83 X G < - 0 0 0 -4,-1.6 3,-0.3 1,-0.1 -6,-0.2 -0.608 58.3-150.0 -99.8 154.2 -22.0 16.3 -5.3 84 84 X V S S+ 0 0 0 -8,-2.5 2,-0.7 1,-0.2 -6,-0.2 0.884 100.2 36.5 -74.3 -45.7 -19.2 17.9 -7.3 85 85 X A S > S- 0 0 0 -8,-3.0 3,-1.5 -9,-0.2 -1,-0.2 -0.834 73.2-176.3-117.7 87.4 -18.5 14.8 -9.5 86 86 X K T 3 S+ 0 0 9 -2,-0.7 -56,-0.2 -3,-0.3 -1,-0.1 0.441 78.0 43.0 -76.7 -5.2 -22.0 13.4 -10.0 87 87 X K T 3 S+ 0 0 85 -58,-3.0 -55,-0.5 2,-0.1 -1,-0.3 0.287 84.8 118.0-120.6 13.3 -20.9 10.3 -12.0 88 88 X T < - 0 0 0 -3,-1.5 2,-0.5 -59,-0.4 -54,-0.2 -0.292 67.6-114.7 -72.6 160.8 -17.9 9.1 -10.0 89 89 X Q E -c 34 0B 73 -56,-1.8 -54,-2.8 -59,-0.3 2,-0.4 -0.847 30.5-149.9 -93.0 133.4 -17.7 5.7 -8.3 90 90 X L E -cd 35 53B 0 -38,-2.9 -36,-1.6 -2,-0.5 2,-0.5 -0.918 11.2-169.1-108.0 133.9 -17.5 6.1 -4.5 91 91 X F E -cd 36 54B 10 -56,-2.4 -54,-2.6 -2,-0.4 2,-0.4 -0.979 11.6-148.2-122.3 124.5 -15.7 3.6 -2.3 92 92 X G E -cd 37 55B 0 -38,-2.5 -36,-2.5 -2,-0.5 -35,-1.3 -0.730 13.0-175.0 -97.0 136.6 -16.1 3.8 1.5 93 93 X V E -cd 38 57B 0 -56,-2.2 -54,-2.5 -2,-0.4 2,-1.3 -0.982 18.0-147.7-127.6 112.2 -13.4 2.7 3.9 94 94 X K E +cd 39 58B 4 -37,-2.6 -35,-1.4 -2,-0.5 -54,-0.2 -0.702 41.1 145.2 -92.4 90.7 -14.6 2.9 7.5 95 95 X V + 0 0 0 -2,-1.3 2,-0.4 -56,-1.3 -1,-0.2 0.563 61.4 67.6 -92.1 -13.0 -11.5 3.8 9.6 96 96 X L S S- 0 0 10 -57,-2.3 6,-0.2 -3,-0.2 -57,-0.1 -0.864 81.2-129.4-112.7 142.6 -13.6 5.9 12.1 97 97 X D > - 0 0 41 4,-3.4 3,-2.2 -2,-0.4 -2,-0.1 -0.085 41.5 -85.5 -77.5-176.7 -16.1 4.4 14.5 98 98 X D T 3 S+ 0 0 43 1,-0.3 -1,-0.1 2,-0.1 -58,-0.1 0.557 129.6 59.7 -74.7 -4.6 -19.7 5.6 14.8 99 99 X N T 3 S- 0 0 138 2,-0.2 -1,-0.3 -32,-0.0 3,-0.1 0.312 120.9-109.0 -93.4 5.5 -18.6 8.2 17.3 100 100 X G S < S+ 0 0 33 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.583 80.5 121.9 78.1 8.6 -16.3 9.7 14.6 101 101 X S + 0 0 67 32,-0.1 -4,-3.4 -61,-0.0 2,-0.3 -0.728 31.9 169.4-105.0 154.1 -13.1 8.4 16.3 102 102 X G - 0 0 26 -2,-0.3 2,-0.1 -6,-0.2 -6,-0.1 -0.946 34.4-114.4-162.0 141.0 -10.3 6.2 15.1 103 103 X Q >> - 0 0 97 -2,-0.3 4,-1.9 -8,-0.2 3,-0.8 -0.444 32.2-119.4 -71.1 146.7 -6.9 5.2 16.3 104 104 X Y H 3> S+ 0 0 67 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.848 112.0 62.3 -58.8 -32.2 -4.1 6.3 14.1 105 105 X S H 3> S+ 0 0 96 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.876 107.1 44.8 -60.9 -34.3 -3.0 2.6 13.5 106 106 X T H <> S+ 0 0 20 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.870 111.3 52.2 -76.5 -38.5 -6.4 2.0 11.9 107 107 X I H X S+ 0 0 6 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.936 111.0 48.2 -61.7 -43.8 -6.3 5.2 9.9 108 108 X I H X S+ 0 0 32 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.922 109.1 52.0 -63.9 -45.8 -2.9 4.2 8.6 109 109 X A H X S+ 0 0 38 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.903 108.7 52.9 -55.9 -43.0 -4.0 0.7 7.7 110 110 X G H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.881 108.5 49.1 -62.2 -38.9 -6.9 2.2 5.8 111 111 X M H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.937 113.4 45.6 -66.5 -44.7 -4.6 4.5 3.7 112 112 X D H X S+ 0 0 60 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.875 109.4 57.7 -67.5 -33.2 -2.3 1.5 2.8 113 113 X F H X S+ 0 0 47 -4,-2.5 4,-3.8 -5,-0.2 3,-0.3 0.930 106.2 48.5 -57.8 -48.7 -5.5 -0.5 2.1 114 114 X V H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.891 104.5 58.9 -65.2 -37.8 -6.5 2.1 -0.5 115 115 X A H < S+ 0 0 16 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.872 118.6 31.7 -58.9 -35.4 -3.1 2.2 -2.2 116 116 X S H >< S+ 0 0 74 -4,-1.6 3,-1.9 -3,-0.3 4,-0.2 0.881 113.3 60.7 -85.1 -42.1 -3.5 -1.5 -2.8 117 117 X D H >< S+ 0 0 6 -4,-3.8 3,-2.5 1,-0.3 -2,-0.2 0.788 87.6 71.5 -61.7 -28.7 -7.2 -1.7 -3.3 118 118 X K G >< S+ 0 0 32 -4,-2.1 3,-1.5 1,-0.3 -1,-0.3 0.794 89.7 65.2 -52.9 -30.5 -7.3 0.7 -6.3 119 119 X N G < S+ 0 0 125 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.620 100.2 51.1 -70.1 -7.7 -5.7 -2.3 -8.2 120 120 X N G < S+ 0 0 122 -3,-2.5 2,-0.3 -4,-0.2 -1,-0.3 0.276 103.1 76.4-105.8 10.0 -8.9 -4.2 -7.6 121 121 X R S < S- 0 0 72 -3,-1.5 2,-0.8 -4,-0.1 -87,-0.1 -0.831 79.7-121.0-123.7 151.6 -11.1 -1.3 -9.0 122 122 X N + 0 0 151 -2,-0.3 -90,-0.1 1,-0.1 -3,-0.1 -0.858 51.0 142.5 -94.6 103.7 -12.0 -0.0 -12.4 123 123 X a > + 0 0 20 -2,-0.8 3,-1.4 -5,-0.2 -89,-0.2 -0.553 10.6 164.8-139.7 62.8 -10.9 3.7 -12.5 124 124 X P T 3 S+ 0 0 105 0, 0.0 -91,-0.2 0, 0.0 3,-0.1 0.770 78.2 50.1 -63.1 -23.0 -9.5 4.3 -15.9 125 125 X K T 3 S- 0 0 113 -93,-2.9 -92,-0.2 1,-0.3 2,-0.2 0.583 123.2 -85.6 -89.6 -10.6 -9.7 8.1 -15.4 126 126 X G E < -b 33 0B 20 -3,-1.4 -92,-1.9 -94,-0.7 2,-0.4 -0.551 36.6 -91.1 128.4 168.3 -7.9 8.0 -12.1 127 127 X V E -be 34 153B 12 25,-0.5 27,-2.5 -94,-0.2 2,-0.3 -0.949 27.2-173.4-124.8 138.0 -8.3 7.6 -8.4 128 128 X V E -be 35 154B 0 -94,-2.7 -92,-2.7 -2,-0.4 2,-0.4 -0.892 8.5-157.3-123.7 150.6 -8.9 10.1 -5.5 129 129 X A E -be 36 155B 0 25,-2.8 27,-2.7 -2,-0.3 2,-0.5 -0.999 6.0-159.1-127.4 131.7 -8.9 9.7 -1.7 130 130 X S E -be 37 156B 0 -94,-3.1 -92,-2.3 -2,-0.4 2,-0.6 -0.952 6.8-173.7-110.1 122.6 -10.7 12.1 0.6 131 131 X L E +be 38 157B 0 25,-2.8 27,-1.9 -2,-0.5 2,-1.4 -0.842 9.4 176.2-120.0 90.2 -9.6 12.2 4.2 132 132 X S + 0 0 3 -2,-0.6 2,-0.3 -94,-0.5 92,-0.1 -0.536 58.0 82.7 -90.0 67.4 -11.9 14.4 6.4 133 133 X L + 0 0 18 -2,-1.4 25,-0.4 25,-0.1 2,-0.3 -0.951 45.2 148.1-160.4 166.5 -10.0 13.5 9.5 134 134 X G - 0 0 54 -2,-0.3 2,-0.2 37,-0.1 3,-0.1 -0.903 12.4-177.3 173.0 165.2 -6.9 14.4 11.5 135 135 X G E -K 170 0C 23 35,-2.1 35,-2.5 -2,-0.3 37,-0.2 -0.804 52.0 -29.2-156.9-151.9 -5.3 14.7 14.9 136 136 X G E S-K 169 0C 42 33,-0.3 33,-0.3 -2,-0.2 -1,-0.2 -0.147 85.6 -64.8 -71.8 164.7 -2.0 15.9 16.3 137 137 X Y + 0 0 135 31,-1.7 2,-0.3 32,-0.2 -1,-0.2 -0.190 57.4 170.1 -50.9 131.8 1.3 15.6 14.4 138 138 X S > - 0 0 22 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.955 29.3-156.3-144.9 121.0 2.4 12.0 13.6 139 139 X S H > S+ 0 0 75 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.852 99.6 53.9 -66.6 -29.3 5.3 11.3 11.3 140 140 X S H > S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.890 107.7 47.8 -73.5 -38.8 3.7 7.8 10.8 141 141 X V H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.917 114.0 47.7 -65.4 -42.5 0.3 9.2 9.7 142 142 X N H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.910 109.7 53.2 -62.8 -43.0 2.0 11.7 7.3 143 143 X S H X S+ 0 0 56 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.912 108.2 50.7 -60.3 -39.6 4.2 8.8 5.9 144 144 X A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.902 111.3 46.7 -63.2 -44.9 1.0 6.8 5.2 145 145 X A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.894 111.5 53.0 -67.6 -37.7 -0.7 9.7 3.4 146 146 X A H X S+ 0 0 24 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.918 109.6 48.2 -65.6 -38.3 2.6 10.2 1.4 147 147 X R H X S+ 0 0 101 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.937 109.2 52.5 -67.7 -42.4 2.6 6.5 0.4 148 148 X L H <>S+ 0 0 0 -4,-2.5 5,-1.0 1,-0.2 4,-0.3 0.943 113.9 43.7 -54.7 -47.5 -1.0 6.6 -0.7 149 149 X Q H >X5S+ 0 0 26 -4,-2.4 3,-1.9 1,-0.2 4,-0.6 0.933 112.0 52.6 -62.2 -50.0 -0.2 9.7 -2.9 150 150 X S H 3<5S+ 0 0 107 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.869 99.4 64.6 -55.8 -33.9 3.0 8.2 -4.2 151 151 X S T 3<5S- 0 0 43 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.556 129.9 -89.4 -70.3 -8.0 1.1 5.0 -5.2 152 152 X G T <45S+ 0 0 36 -3,-1.9 -25,-0.5 1,-0.3 2,-0.4 0.706 86.5 126.1 107.0 30.4 -0.9 7.2 -7.8 153 153 X V E << -e 127 0B 0 -5,-1.0 2,-0.9 -4,-0.6 -1,-0.3 -0.964 61.8-126.0-119.2 132.4 -4.0 8.4 -5.8 154 154 X M E -e 128 0B 1 -27,-2.5 -25,-2.8 -2,-0.4 2,-0.6 -0.718 33.2-156.7 -75.8 110.7 -4.8 12.1 -5.5 155 155 X V E -e 129 0B 0 -2,-0.9 23,-2.8 90,-0.2 2,-0.4 -0.826 14.3-176.5 -99.0 124.3 -4.9 12.5 -1.7 156 156 X A E -ef 130 178B 0 -27,-2.7 -25,-2.8 -2,-0.6 2,-0.3 -0.967 8.9-178.1-118.6 130.1 -7.0 15.4 -0.3 157 157 X V E -ef 131 179B 0 21,-2.8 23,-2.8 -2,-0.4 -25,-0.2 -0.946 29.8-104.0-132.7 150.0 -7.0 16.0 3.5 158 158 X A E - f 0 180B 6 -27,-1.9 14,-0.2 -25,-0.4 23,-0.2 -0.492 16.9-143.5 -74.1 136.8 -8.7 18.4 5.9 159 159 X A - 0 0 0 21,-2.8 22,-0.1 -2,-0.2 -1,-0.1 0.786 52.9-110.7 -66.8 -25.5 -6.5 21.2 7.3 160 160 X G - 0 0 16 20,-0.4 34,-2.7 34,-0.1 3,-0.3 -0.243 11.8-102.1 105.9 158.9 -8.4 20.9 10.6 161 161 X N S S+ 0 0 75 32,-0.2 32,-0.2 1,-0.2 -1,-0.1 -0.218 84.1 101.9-113.6 38.6 -10.8 22.9 12.6 162 162 X N S S- 0 0 82 2,-0.2 31,-0.2 -3,-0.1 -1,-0.2 0.371 83.5-124.8-103.6 1.5 -8.6 24.5 15.3 163 163 X N S S+ 0 0 77 29,-2.3 2,-0.2 -3,-0.3 31,-0.2 0.928 79.6 113.0 46.5 46.2 -8.3 28.1 13.8 164 164 X A S S- 0 0 25 28,-0.3 31,-2.1 -4,-0.1 2,-0.4 -0.823 82.5 -72.2-137.9 168.9 -4.5 27.2 14.2 165 165 X D B > -l 195 0D 44 -2,-0.2 3,-1.3 29,-0.2 31,-0.2 -0.591 38.9-143.9 -70.0 125.3 -1.4 26.5 12.0 166 166 X A G > S+ 0 0 0 29,-3.1 3,-1.8 -2,-0.4 7,-0.2 0.526 83.3 91.7 -71.0 -4.8 -1.9 23.2 10.4 167 167 X R G 3 S+ 0 0 159 1,-0.3 -1,-0.3 28,-0.2 6,-0.1 0.735 84.2 57.6 -56.6 -25.2 1.8 22.3 10.7 168 168 X N G < S+ 0 0 106 -3,-1.3 -31,-1.7 -31,-0.1 2,-0.3 0.217 98.7 71.0 -91.2 11.4 0.9 20.7 14.1 169 169 X Y E <> S-K 136 0C 59 -3,-1.8 4,-2.1 -33,-0.3 -33,-0.3 -0.934 77.5-103.3-131.9 156.3 -1.7 18.3 12.7 170 170 X S E 4 S+K 135 0C 0 -35,-2.5 -35,-2.1 -2,-0.3 -31,-0.1 -0.978 94.1 4.9-137.9 139.8 -1.6 15.0 10.6 171 171 X P T >4 S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 -1,-0.3 -0.969 122.1 71.5 -83.1 11.8 -2.1 14.2 7.9 172 172 X A T 34 S+ 0 0 2 1,-0.3 -2,-0.2 -37,-0.2 -5,-0.1 0.848 96.8 53.7 -48.5 -39.9 -2.7 18.0 7.3 173 173 X S T 3< S+ 0 0 14 -4,-2.1 -1,-0.3 -7,-0.2 -3,-0.1 0.456 77.4 114.0 -86.2 2.4 1.0 18.7 7.7 174 174 X E X - 0 0 27 -3,-1.9 3,-0.8 1,-0.1 5,-0.1 -0.599 57.5-152.0 -76.8 120.8 2.2 16.2 5.0 175 175 X P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.822 86.7 57.8 -64.5 -32.9 3.7 18.3 2.1 176 176 X S T 3 S+ 0 0 62 2,-0.1 -21,-0.2 0, 0.0 2,-0.2 0.592 97.3 68.5 -82.7 -9.5 3.0 15.8 -0.7 177 177 X V S < S- 0 0 2 -3,-0.8 2,-0.8 -6,-0.2 -21,-0.2 -0.583 93.6 -97.5-105.2 168.3 -0.8 15.6 -0.2 178 178 X b E -f 156 0B 0 -23,-2.8 -21,-2.8 -2,-0.2 2,-0.5 -0.777 35.3-157.6 -91.7 113.2 -3.4 18.3 -0.9 179 179 X T E -f 157 0B 0 -2,-0.8 21,-2.6 19,-0.4 22,-1.5 -0.764 10.0-154.9-100.6 124.5 -4.3 20.1 2.4 180 180 X V E -fg 158 201B 0 -23,-2.8 -21,-2.8 -2,-0.5 -20,-0.4 -0.891 9.0-166.3-114.0 119.4 -7.7 21.8 2.2 181 181 X G E - g 0 202B 0 20,-2.6 22,-2.2 -2,-0.5 2,-0.4 -0.443 25.7-113.8 -92.6 171.6 -8.9 24.8 4.3 182 182 X A E - g 0 203B 0 12,-0.3 8,-2.8 20,-0.2 2,-0.3 -0.898 27.0-174.0-114.8 142.7 -12.5 25.9 4.6 183 183 X S E -Hg 189 204B 0 20,-1.9 22,-3.0 -2,-0.4 23,-1.6 -0.817 17.0-128.1-123.9 165.2 -14.3 29.1 3.4 184 184 X D > - 0 0 17 4,-2.6 3,-2.2 -2,-0.3 23,-0.1 -0.547 36.5 -91.9-108.0-178.4 -17.8 30.5 3.8 185 185 X R T 3 S+ 0 0 106 1,-0.3 -166,-0.4 -2,-0.2 22,-0.0 0.624 125.2 55.1 -73.7 -11.5 -20.5 31.8 1.3 186 186 X Y T 3 S- 0 0 153 2,-0.1 -1,-0.3 -168,-0.1 3,-0.1 0.220 120.4-106.9-102.6 16.2 -19.2 35.3 1.7 187 187 X D S < S+ 0 0 11 -3,-2.2 75,-2.6 1,-0.3 2,-0.3 0.722 75.2 137.8 63.6 29.1 -15.6 34.3 0.8 188 188 X R B -m 262 0E 121 73,-0.2 -4,-2.6 75,-0.1 -1,-0.3 -0.761 67.5-100.2 -93.1 146.2 -14.3 34.6 4.3 189 189 X R B -H 183 0B 19 73,-2.4 -6,-0.3 -2,-0.3 -1,-0.1 -0.470 52.4-101.5 -55.2 131.3 -12.0 32.0 5.8 190 190 X S > - 0 0 0 -8,-2.8 3,-1.6 1,-0.1 -8,-0.2 -0.358 31.5-119.9 -59.8 140.8 -14.3 29.8 7.9 191 191 X S T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.779 110.4 41.8 -61.4 -28.4 -13.8 30.9 11.5 192 192 X F T 3 S+ 0 0 44 -30,-0.1 -29,-2.3 -29,-0.1 -1,-0.3 0.471 87.4 123.1 -87.7 -12.8 -12.6 27.4 12.6 193 193 X S < - 0 0 0 -3,-1.6 -32,-0.2 -31,-0.2 -12,-0.1 -0.370 58.6-132.4 -64.2 129.5 -10.4 26.7 9.6 194 194 X N - 0 0 0 -34,-2.7 -12,-0.3 -31,-0.2 2,-0.2 -0.262 29.4-178.8 -60.1 163.7 -6.7 25.9 10.2 195 195 X Y B +l 165 0D 58 -31,-2.1 -29,-3.1 -36,-0.1 -28,-0.2 -0.715 18.4 115.4-147.9-168.3 -4.3 27.8 8.0 196 196 X G S > S- 0 0 3 -31,-0.2 3,-1.5 -2,-0.2 73,-0.5 -0.459 77.3 -58.0 122.9 167.8 -0.4 28.0 7.5 197 197 X S T 3 S+ 0 0 97 1,-0.2 -1,-0.2 71,-0.2 72,-0.1 0.771 123.8 65.1 -49.7 -33.1 2.2 27.2 4.9 198 198 X V T 3 S+ 0 0 22 -3,-0.2 -19,-0.4 -39,-0.0 -1,-0.2 0.695 78.7 102.4 -74.3 -17.5 1.1 23.5 4.6 199 199 X L < - 0 0 3 -3,-1.5 70,-0.3 1,-0.1 -19,-0.2 -0.414 45.3-179.1 -62.1 139.9 -2.3 24.5 3.1 200 200 X D - 0 0 44 -21,-2.6 2,-0.3 1,-0.4 -20,-0.2 0.648 61.2 -8.4-107.4 -25.4 -2.6 24.0 -0.6 201 201 X I E -g 180 0B 0 -22,-1.5 -20,-2.6 68,-0.1 -1,-0.4 -0.977 55.9-128.1-168.5 155.0 -6.1 25.2 -1.3 202 202 X F E +gi 181 272B 0 69,-1.8 71,-2.8 -2,-0.3 -20,-0.2 -0.912 23.9 177.8-112.6 148.4 -9.5 26.3 0.2 203 203 X G E -g 182 0B 0 -22,-2.2 -20,-1.9 -2,-0.3 23,-0.2 -0.924 46.2 -66.3-137.7 169.0 -12.9 24.9 -0.6 204 204 X P E +g 183 0B 1 0, 0.0 25,-0.2 0, 0.0 -20,-0.2 -0.333 60.1 151.1 -56.0 125.1 -16.5 25.6 0.7 205 205 X G + 0 0 0 -22,-3.0 17,-2.8 -2,-0.1 2,-0.5 0.485 39.1 85.4-138.4 -9.4 -16.7 24.4 4.3 206 206 X T S S- 0 0 32 -23,-1.6 -21,-0.2 15,-0.2 15,-0.2 -0.888 104.1 -6.6-106.7 128.4 -19.4 26.5 6.2 207 207 X S S S+ 0 0 54 -2,-0.5 2,-0.6 1,-0.2 -1,-0.2 0.963 81.9 177.7 58.0 62.2 -23.0 25.5 6.1 208 208 X I E -N 220 0F 5 12,-2.7 12,-1.8 -3,-0.3 2,-0.4 -0.869 20.0-146.3-104.8 118.7 -22.7 22.7 3.5 209 209 X L E +N 219 0F 62 -2,-0.6 2,-0.3 10,-0.2 10,-0.2 -0.665 38.8 132.6 -85.8 131.5 -25.8 20.8 2.6 210 210 X S E -N 218 0F 0 8,-2.0 8,-2.2 -2,-0.4 -138,-0.1 -0.903 53.3 -52.3-158.7-177.5 -25.3 17.1 1.8 211 211 X T E -N 217 0F 0 -140,-0.4 2,-0.3 -139,-0.3 6,-0.3 -0.237 45.6-171.9 -63.7 152.6 -26.5 13.5 2.4 212 212 X W E > -N 216 0F 28 4,-2.5 4,-1.1 -141,-0.1 3,-0.4 -0.934 33.0 -81.2-138.1 170.3 -27.0 12.0 5.8 213 213 X I T 4 S+ 0 0 36 -2,-0.3 3,-0.4 1,-0.2 -147,-0.1 -0.215 108.8 46.1 -73.0 166.7 -27.8 8.6 7.2 214 214 X G T 4 S- 0 0 71 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.735 133.2 -72.9 67.6 26.8 -31.4 7.3 7.3 215 215 X G T 4 S+ 0 0 41 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.799 105.2 124.2 62.5 31.9 -31.8 8.6 3.6 216 216 X S E < -N 212 0F 44 -4,-1.1 -4,-2.5 -3,-0.4 2,-0.3 -0.291 53.7-130.3-110.8-168.7 -31.8 12.2 4.9 217 217 X T E +N 211 0F 63 -6,-0.3 2,-0.3 -2,-0.1 -6,-0.2 -0.962 21.6 174.9-144.8 159.4 -29.9 15.4 4.3 218 218 X R E -N 210 0F 117 -8,-2.2 -8,-2.0 -2,-0.3 2,-0.5 -0.972 28.2-126.0-161.4 149.9 -28.3 18.0 6.7 219 219 X S E +N 209 0F 66 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.899 40.2 158.4-104.3 123.8 -26.1 21.1 6.6 220 220 X I E -N 208 0F 45 -12,-1.8 -12,-2.7 -2,-0.5 2,-0.3 -0.893 27.7-130.0-136.7 175.5 -22.9 21.0 8.7 221 221 X S + 0 0 59 -2,-0.3 -15,-0.2 -14,-0.2 2,-0.2 -0.921 41.3 101.6-130.7 147.4 -19.6 22.8 8.7 222 222 X G S >> S- 0 0 2 -17,-2.8 3,-1.4 -2,-0.3 4,-1.0 -0.780 76.9 -91.5 161.6 162.2 -15.9 21.9 8.8 223 223 X T H 3> S+ 0 0 2 1,-0.2 4,-2.2 -2,-0.2 -64,-0.1 0.711 121.9 73.9 -65.1 -18.7 -12.7 21.5 6.8 224 224 X S H 34 S+ 0 0 14 1,-0.2 -1,-0.2 2,-0.2 -92,-0.1 0.744 98.7 44.0 -54.6 -29.6 -14.3 17.9 6.6 225 225 X M H <> S+ 0 0 2 -3,-1.4 4,-0.6 -20,-0.2 -2,-0.2 0.746 110.8 52.2 -90.0 -30.5 -16.8 19.5 4.2 226 226 X A H >X S+ 0 0 0 -4,-1.0 4,-1.7 2,-0.2 3,-0.6 0.878 100.7 63.1 -69.1 -42.8 -14.2 21.5 2.2 227 227 X T H 3X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.917 100.6 50.2 -52.4 -47.5 -12.0 18.5 1.6 228 228 X P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.762 103.8 59.8 -71.9 -18.3 -14.6 16.5 -0.5 229 229 X H H S+ 0 0 3 -4,-3.0 5,-2.0 1,-0.2 6,-0.7 0.863 110.6 52.8 -74.9 -28.6 -10.8 17.2 -13.7 238 238 X M H ><5S+ 0 0 5 -4,-2.7 3,-1.3 -5,-0.2 -1,-0.2 0.932 107.3 51.3 -71.7 -42.5 -9.1 13.8 -14.1 239 239 X T H 3<5S+ 0 0 13 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.853 107.2 54.5 -60.6 -33.3 -12.1 12.5 -16.1 240 240 X L T 3<5S- 0 0 58 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.648 114.2-122.5 -74.2 -6.2 -11.7 15.6 -18.3 241 241 X G T < 5S+ 0 0 63 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.599 78.0 123.4 72.8 17.6 -8.1 14.6 -18.9 242 242 X K S > - 0 0 81 -2,-0.3 4,-1.8 -3,-0.0 3,-0.6 -0.794 39.6 -94.2-135.1 172.5 -3.5 13.4 -13.2 245 245 X A T 34 S+ 0 0 15 1,-0.3 4,-0.4 -2,-0.2 -90,-0.2 0.875 124.0 50.6 -62.4 -37.2 -3.3 12.2 -9.5 246 246 X A T 34 S+ 0 0 88 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.760 122.9 29.2 -66.4 -31.1 0.3 13.3 -9.2 247 247 X S T <> S+ 0 0 45 -3,-0.6 4,-2.5 2,-0.1 -2,-0.2 0.467 90.6 96.9-110.8 -5.8 -0.4 16.8 -10.6 248 248 X A H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.850 83.4 51.2 -63.1 -41.4 -4.0 17.5 -9.5 249 249 X b H > S+ 0 0 25 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.943 114.7 44.2 -61.3 -44.5 -3.3 19.5 -6.4 250 250 X R H > S+ 0 0 202 2,-0.2 4,-3.1 -4,-0.2 -2,-0.2 0.878 113.4 52.0 -59.1 -44.2 -0.9 21.8 -8.3 251 251 X Y H X S+ 0 0 52 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.929 109.1 48.8 -62.9 -42.3 -3.4 22.0 -11.1 252 252 X I H X S+ 0 0 0 -4,-2.8 4,-0.6 1,-0.2 22,-0.3 0.893 114.1 46.8 -62.0 -43.1 -6.2 23.1 -8.7 253 253 X A H >< S+ 0 0 22 -4,-2.1 3,-0.9 -5,-0.2 -2,-0.2 0.931 111.4 51.7 -64.7 -44.8 -3.9 25.7 -7.2 254 254 X D H 3< S+ 0 0 110 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.854 118.8 36.6 -55.4 -38.7 -2.8 26.9 -10.6 255 255 X T H 3< S+ 0 0 24 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.350 93.2 119.3-101.9 4.9 -6.4 27.3 -11.7 256 256 X A S << S- 0 0 5 -3,-0.9 2,-0.4 -4,-0.6 17,-0.2 -0.173 77.6 -96.3 -68.4 158.3 -8.0 28.5 -8.4 257 257 X N E -J 272 0B 17 15,-2.5 15,-2.4 -242,-0.1 2,-0.4 -0.677 53.4-145.6 -67.0 130.2 -9.7 31.8 -7.8 258 258 X K E -J 271 0B 119 -2,-0.4 13,-0.2 13,-0.2 11,-0.0 -0.881 60.4 -1.9-117.9 134.7 -6.8 33.9 -6.4 259 259 X G S S+ 0 0 51 11,-2.5 -1,-0.2 -2,-0.4 12,-0.1 0.606 92.4 113.8 74.6 16.2 -6.8 36.6 -3.8 260 260 X D + 0 0 75 10,-0.3 2,-0.3 -3,-0.2 -2,-0.1 0.557 50.1 88.9 -97.3 -7.4 -10.5 36.5 -3.3 261 261 X L - 0 0 9 -4,-0.1 3,-0.4 -73,-0.1 -73,-0.2 -0.651 64.7-140.8 -95.7 147.7 -10.8 35.2 0.3 262 262 X S B S+m 188 0E 57 -75,-2.6 -73,-2.4 -2,-0.3 -2,-0.1 -0.659 76.1 26.2-104.1 163.4 -10.7 37.4 3.4 263 263 X N S S+ 0 0 115 1,-0.2 -1,-0.2 -2,-0.2 -75,-0.1 0.796 73.9 151.5 51.6 37.6 -9.1 36.8 6.8 264 264 X I - 0 0 29 -3,-0.4 -1,-0.2 4,-0.1 3,-0.1 -0.846 48.0-120.5 -89.7 120.1 -6.4 34.7 5.2 265 265 X P > - 0 0 38 0, 0.0 3,-2.3 0, 0.0 -69,-0.2 -0.281 36.4 -86.8 -64.6 142.1 -3.2 35.1 7.5 266 266 X F T 3 S+ 0 0 227 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.285 117.8 27.3 -43.7 126.7 -0.1 36.4 6.0 267 267 X G T 3 S+ 0 0 61 1,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.347 94.5 106.2 98.1 -3.6 1.8 33.4 4.5 268 268 X T S < S- 0 0 15 -3,-2.3 -1,-0.4 -70,-0.1 -71,-0.2 -0.842 80.6-100.2-102.3 142.8 -1.2 31.1 3.9 269 269 X V - 0 0 50 -73,-0.5 2,-0.7 -2,-0.4 -73,-0.1 -0.327 20.8-148.4 -62.1 142.4 -2.3 30.7 0.2 270 270 X N + 0 0 43 -6,-0.1 -11,-2.5 2,-0.0 2,-0.4 -0.749 51.7 131.4-110.9 79.0 -5.4 32.8 -0.9 271 271 X L E - J 0 258B 28 -2,-0.7 -69,-1.8 -13,-0.2 2,-0.5 -0.999 39.2-163.4-141.2 125.1 -6.7 30.2 -3.4 272 272 X L E -iJ 202 257B 0 -15,-2.4 -15,-2.5 -2,-0.4 -69,-0.2 -0.964 33.1-106.0-117.5 124.8 -10.2 29.0 -3.7 273 273 X A + 0 0 0 -71,-2.8 2,-0.3 -2,-0.5 -20,-0.1 -0.224 46.6 171.0 -52.9 136.7 -11.0 25.7 -5.7 274 274 X Y - 0 0 31 -22,-0.3 -260,-0.2 -260,-0.1 -261,-0.1 -0.990 34.9-147.0-154.7 137.9 -12.6 26.5 -9.0 275 275 X N - 0 0 7 -262,-3.0 -261,-0.1 -2,-0.3 3,-0.1 0.529 25.9-141.9 -90.6 -5.7 -13.4 24.2 -12.0 276 276 X N + 0 0 61 -263,-0.3 2,-0.5 1,-0.2 -262,-0.1 0.804 39.6 167.2 47.4 36.3 -12.8 26.9 -14.7 277 277 X Y - 0 0 35 -253,-0.2 2,-0.7 -251,-0.0 -1,-0.2 -0.655 24.5-160.4 -81.5 124.1 -15.7 25.4 -16.5 278 278 X Q 0 0 148 -2,-0.5 -253,-0.0 -3,-0.1 -1,-0.0 -0.898 360.0 360.0-107.9 107.6 -17.0 27.6 -19.4 279 279 X A 0 0 130 -2,-0.7 -253,-0.1 -278,-0.0 -277,-0.0 -0.123 360.0 360.0 -55.7 360.0 -20.6 26.5 -20.3