==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JUN-08 3DE1 . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR E.PECHKOVA,S.K.TRIPATHI,C.NICOLINI . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10148.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 14.7 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 . 20 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.5 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 3 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 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 27 0, 0.0 24,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 154.3 -9.4 12.6 -17.6 2 2 X A E -A 24 0A 65 22,-0.2 2,-0.7 277,-0.0 22,-0.2 -0.986 360.0-166.4-138.1 122.7 -7.6 10.3 -15.1 3 3 X Q E > -A 23 0A 31 20,-3.2 20,-2.7 -2,-0.4 3,-0.6 -0.913 20.5-147.2-110.8 111.9 -6.1 11.3 -11.8 4 4 X T T 3 S+ 0 0 98 -2,-0.7 18,-0.2 1,-0.2 -2,-0.0 -0.329 75.7 15.1 -78.6 155.6 -3.8 8.5 -10.5 5 5 X N T 3 S+ 0 0 136 1,-0.1 -1,-0.2 -2,-0.0 17,-0.2 0.866 87.7 168.7 49.7 45.4 -3.4 7.8 -6.8 6 6 X A < - 0 0 9 15,-2.5 -1,-0.1 -3,-0.6 76,-0.1 -0.382 49.1 -77.3 -76.5 161.7 -6.4 9.9 -6.0 7 7 X P >> - 0 0 20 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.333 50.2-112.1 -52.9 145.5 -8.0 9.8 -2.5 8 8 X W H 3> S+ 0 0 21 1,-0.2 4,-2.3 199,-0.2 12,-0.2 0.845 114.8 58.2 -56.2 -35.4 -10.0 6.6 -2.3 9 9 X G H 3> S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.851 105.5 48.0 -65.2 -40.8 -13.4 8.5 -2.2 10 10 X L H <> S+ 0 0 1 -3,-0.8 4,-0.9 2,-0.2 14,-0.3 0.925 113.2 48.4 -62.7 -48.1 -12.7 10.2 -5.6 11 11 X A H >< S+ 0 0 0 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.903 110.6 52.2 -58.9 -40.5 -11.7 6.9 -7.1 12 12 X R H >< S+ 0 0 4 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.874 102.3 58.6 -66.1 -38.3 -14.9 5.2 -5.7 13 13 X I H 3< S+ 0 0 0 -4,-1.7 262,-3.0 1,-0.3 263,-0.3 0.692 111.2 41.7 -67.6 -19.6 -17.2 7.9 -7.1 14 14 X S T << S+ 0 0 9 -4,-0.9 2,-0.4 -3,-0.7 -1,-0.3 0.146 106.3 85.8-110.9 21.8 -16.0 7.0 -10.6 15 15 X S < - 0 0 14 -3,-1.5 242,-0.1 1,-0.1 261,-0.1 -0.931 63.2-149.9-129.6 146.5 -15.9 3.3 -10.2 16 16 X T S S+ 0 0 93 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.497 91.2 37.3 -78.9 -9.4 -18.3 0.3 -10.4 17 17 X S S S- 0 0 53 -5,-0.0 3,-0.4 240,-0.0 -1,-0.1 -0.995 81.6-112.8-147.4 152.7 -16.2 -1.4 -7.7 18 18 X P S S+ 0 0 57 0, 0.0 168,-0.1 0, 0.0 167,-0.1 -0.242 86.2 55.3 -69.5 166.8 -14.3 -0.7 -4.5 19 19 X G S S+ 0 0 79 166,-0.5 2,-0.3 1,-0.3 167,-0.1 0.596 73.4 114.9 91.2 14.6 -10.6 -1.0 -4.3 20 20 X T - 0 0 60 -3,-0.4 -1,-0.3 -12,-0.2 -9,-0.1 -0.764 45.9-158.9-113.9 163.6 -9.3 1.2 -7.1 21 21 X S + 0 0 58 -2,-0.3 -15,-2.5 -10,-0.1 2,-0.4 0.296 58.8 93.5-127.4 6.6 -7.2 4.3 -6.7 22 22 X T - 0 0 24 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.892 60.9-143.8-106.0 134.6 -7.6 6.3 -10.0 23 23 X Y E -A 3 0A 0 -20,-2.7 -20,-3.2 -2,-0.4 2,-0.4 -0.877 14.7-165.5 -98.6 125.5 -10.2 9.0 -10.4 24 24 X Y E +A 2 0A 91 -2,-0.5 2,-0.3 -14,-0.3 253,-0.2 -0.908 21.1 147.8-112.0 130.2 -11.9 9.3 -13.8 25 25 X Y - 0 0 32 -24,-1.7 2,-0.1 -2,-0.4 -11,-0.0 -0.989 52.1 -91.3-159.4 149.8 -13.9 12.4 -14.8 26 26 X D > - 0 0 50 -2,-0.3 3,-2.1 1,-0.1 4,-0.1 -0.451 39.5-125.9 -64.1 137.1 -14.9 14.5 -17.8 27 27 X E T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.662 102.5 82.3 -67.3 -16.9 -12.3 17.4 -18.1 28 28 X S T > S- 0 0 37 1,-0.1 3,-2.5 2,-0.1 -1,-0.3 0.857 76.9-174.0 -51.0 -34.6 -15.1 20.0 -18.1 29 29 X A T < - 0 0 1 -3,-2.1 58,-2.6 1,-0.3 59,-0.4 0.690 63.3 -53.3 52.0 33.9 -14.7 19.3 -14.4 30 30 X G T > S+ 0 0 0 206,-0.4 3,-1.9 1,-0.2 59,-0.3 0.645 85.4 168.2 76.4 14.2 -17.7 21.4 -13.2 31 31 X Q T < + 0 0 117 -3,-2.5 -1,-0.2 1,-0.3 57,-0.2 -0.378 65.6 23.6 -59.3 136.4 -16.5 24.5 -15.0 32 32 X G T 3 S+ 0 0 24 55,-0.5 93,-2.7 1,-0.4 94,-0.6 0.420 104.4 104.8 84.5 0.7 -19.2 27.2 -15.1 33 33 X S E < -b 126 0B 0 -3,-1.9 56,-1.9 92,-0.2 -1,-0.4 -0.620 57.8-144.7-101.5 169.2 -20.9 25.8 -12.0 34 34 X a E -bc 127 89B 0 92,-1.9 94,-2.4 -2,-0.2 2,-0.4 -0.998 7.5-164.9-132.9 144.3 -20.8 27.1 -8.4 35 35 X V E -bc 128 90B 0 54,-3.1 56,-2.5 -2,-0.4 2,-0.5 -0.985 8.6-153.9-128.6 123.2 -20.8 25.4 -5.0 36 36 X Y E -bc 129 91B 0 92,-2.9 94,-2.9 -2,-0.4 2,-0.7 -0.791 6.9-156.8 -87.3 129.4 -21.6 27.2 -1.8 37 37 X V E -bc 130 92B 1 54,-2.9 56,-2.6 -2,-0.5 2,-0.8 -0.943 5.8-163.5-110.6 112.5 -20.0 25.6 1.2 38 38 X I E + c 0 93B 0 92,-2.1 94,-0.5 -2,-0.7 56,-0.2 -0.857 51.4 81.5-102.7 103.3 -22.0 26.6 4.3 39 39 X D E S- c 0 94B 0 54,-2.1 57,-2.2 -2,-0.8 56,-1.4 -0.573 98.1 -28.4-170.2-146.2 -19.8 25.8 7.2 40 40 X T S S- 0 0 0 1,-0.3 26,-0.4 54,-0.2 27,-0.2 0.370 98.0 -97.8 -81.8 -0.1 -16.8 27.2 9.2 41 41 X G - 0 0 0 52,-0.3 2,-0.4 24,-0.1 -1,-0.3 -0.609 37.4 -88.6 111.6-172.8 -15.5 29.1 6.2 42 42 X I - 0 0 3 21,-0.5 2,-2.1 -2,-0.2 3,-0.1 -0.984 17.7-131.2-140.2 129.9 -12.9 28.3 3.5 43 43 X E > - 0 0 42 -2,-0.4 3,-2.0 1,-0.2 6,-0.1 -0.570 31.8-176.6 -75.7 85.2 -9.2 29.1 3.5 44 44 X A T 3 S+ 0 0 33 -2,-2.1 7,-0.5 1,-0.3 9,-0.4 0.736 73.1 65.9 -56.6 -28.7 -9.4 30.6 -0.0 45 45 X S T 3 S+ 0 0 103 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.525 70.3 121.7 -76.6 -6.2 -5.7 31.2 -0.2 46 46 X H S X> S- 0 0 10 -3,-2.0 3,-2.5 1,-0.2 4,-0.6 -0.380 70.0-130.5 -58.1 128.7 -4.9 27.5 -0.1 47 47 X P G >4 S+ 0 0 80 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.799 104.3 69.7 -49.7 -28.3 -2.9 26.6 -3.2 48 48 X E G 34 S+ 0 0 10 1,-0.2 32,-2.3 2,-0.1 33,-0.1 0.651 94.2 53.8 -69.7 -13.7 -5.3 23.7 -3.8 49 49 X F G X4 S- 0 0 0 -3,-2.5 3,-2.7 30,-0.2 -1,-0.2 0.644 89.1-153.1 -97.9 -16.7 -8.1 26.2 -4.6 50 50 X E T << - 0 0 106 -3,-0.9 -2,-0.1 -4,-0.6 -5,-0.1 0.732 67.6 -53.9 61.7 26.1 -6.2 28.0 -7.3 51 51 X G T 3 S+ 0 0 70 -7,-0.5 -1,-0.3 -5,-0.4 -6,-0.1 0.437 118.1 107.7 86.5 -4.4 -8.0 31.2 -7.0 52 52 X R < + 0 0 24 -3,-2.7 38,-2.8 -8,-0.1 2,-0.3 0.494 61.9 78.4 -89.2 -1.8 -11.4 29.5 -7.5 53 53 X A E +d 90 0B 10 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.842 53.1 170.2-107.8 149.3 -12.5 29.9 -3.8 54 54 X Q E -d 91 0B 105 36,-1.7 38,-2.6 -2,-0.3 2,-0.5 -0.986 33.5-125.2-151.7 138.4 -13.9 33.0 -2.2 55 55 X M E +d 92 0B 41 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.767 30.2 172.3 -79.2 129.1 -15.5 33.9 1.1 56 56 X V E + 0 0 28 36,-2.5 2,-0.3 -2,-0.5 37,-0.2 0.606 59.2 9.3-111.5 -17.3 -18.8 35.6 0.4 57 57 X K E +d 93 0B 76 35,-1.4 37,-2.4 6,-0.1 -1,-0.3 -0.989 50.6 178.6-161.4 145.8 -20.4 35.9 3.9 58 58 X T E -d 94 0B 34 -2,-0.3 37,-0.2 35,-0.2 5,-0.1 -0.981 20.0-158.1-146.1 158.2 -19.8 35.4 7.6 59 59 X Y S S+ 0 0 68 35,-1.6 2,-0.2 -2,-0.3 36,-0.1 0.216 77.9 69.9-114.9 10.6 -22.0 35.9 10.7 60 60 X Y S S- 0 0 26 2,-0.3 34,-0.1 34,-0.2 -2,-0.1 -0.665 102.9 -87.0-122.4 176.2 -18.9 36.3 12.9 61 61 X Y S S+ 0 0 217 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.696 111.7 28.8 -64.0 -19.1 -16.1 38.8 13.5 62 62 X S - 0 0 54 2,-0.1 -2,-0.3 1,-0.1 -3,-0.2 -0.978 59.0-148.5-139.4 159.4 -14.1 37.1 10.8 63 63 X S + 0 0 47 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.455 66.9 113.5 -96.8 -5.0 -14.7 35.2 7.6 64 64 X R S S- 0 0 67 -23,-0.1 2,-1.0 1,-0.1 -2,-0.1 -0.364 75.4-118.1 -66.4 145.9 -11.5 33.1 8.0 65 65 X D + 0 0 10 1,-0.2 -24,-0.1 -23,-0.1 -1,-0.1 -0.768 37.2 172.1 -81.6 103.3 -11.8 29.4 8.7 66 66 X G S S+ 0 0 39 -2,-1.0 -1,-0.2 -26,-0.4 -25,-0.1 0.296 75.0 47.7 -95.9 7.6 -10.3 29.1 12.1 67 67 X N S S- 0 0 45 -27,-0.2 146,-0.1 30,-0.0 -1,-0.1 0.772 89.1-136.6-110.9 -57.8 -11.3 25.5 12.3 68 68 X G S > S+ 0 0 0 144,-0.1 4,-2.5 -28,-0.1 5,-0.2 0.023 77.3 101.4 116.6 -28.0 -10.5 23.6 9.1 69 69 X H H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.936 84.9 44.3 -55.7 -51.5 -13.8 21.7 8.8 70 70 X G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.870 113.2 53.1 -63.0 -36.2 -15.2 24.1 6.1 71 71 X T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 140,-0.3 0.901 108.4 48.9 -66.6 -43.7 -11.9 24.0 4.3 72 72 X H H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 139,-0.4 0.947 112.8 48.3 -57.1 -51.9 -11.8 20.2 4.2 73 73 X C H >X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.6 0.948 111.5 48.7 -56.6 -50.8 -15.4 20.1 2.9 74 74 X A H 3X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.3 5,-0.3 0.836 107.6 57.2 -57.2 -34.9 -14.7 22.7 0.2 75 75 X G H 3X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.3 0.865 105.9 48.9 -67.1 -35.4 -11.6 20.8 -0.8 76 76 X T H << S+ 0 0 1 -4,-1.7 8,-2.4 -3,-0.6 -2,-0.2 0.856 113.0 49.1 -72.4 -35.8 -13.6 17.6 -1.4 77 77 X V H < S- 0 0 0 -4,-1.8 8,-2.9 6,-0.2 -2,-0.2 0.964 138.5 -15.1 -59.9 -54.9 -16.1 19.7 -3.5 78 78 X G H < S+ 0 0 0 -4,-2.7 -3,-0.2 5,-0.2 -2,-0.2 0.273 81.3 131.2-152.0 14.6 -13.5 21.4 -5.7 79 79 X S X - 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -30,-0.2 -0.446 62.8-116.0 -68.6 154.9 -9.8 21.4 -4.8 80 80 X R T 4 S+ 0 0 96 -32,-2.3 -1,-0.1 1,-0.2 6,-0.1 0.904 108.9 23.7 -61.4 -42.6 -7.4 20.4 -7.6 81 81 X T T 4 S+ 0 0 41 -33,-0.1 -1,-0.2 1,-0.1 5,-0.1 0.888 135.4 30.0 -89.0 -42.2 -6.1 17.3 -5.9 82 82 X Y T 4 S+ 0 0 37 -76,-0.1 2,-0.3 -34,-0.1 -2,-0.2 0.413 99.6 103.6-103.4 2.8 -8.8 16.3 -3.4 83 83 X G < - 0 0 0 -4,-1.6 3,-0.3 -5,-0.1 -6,-0.2 -0.598 56.7-153.7 -96.0 147.1 -11.9 17.6 -5.3 84 84 X V S S+ 0 0 0 -8,-2.4 2,-0.8 -2,-0.3 -6,-0.2 0.885 100.0 38.5 -72.7 -43.3 -14.7 16.0 -7.3 85 85 X A S > S- 0 0 0 -8,-2.9 3,-1.6 -9,-0.2 -1,-0.2 -0.807 74.1-178.2-114.6 83.4 -15.4 19.2 -9.5 86 86 X K T 3 S+ 0 0 13 -2,-0.8 -56,-0.2 -3,-0.3 -1,-0.1 0.483 78.5 41.0 -72.2 -3.8 -11.8 20.5 -10.0 87 87 X K T 3 S+ 0 0 89 -58,-2.6 -55,-0.5 2,-0.1 -1,-0.3 0.298 86.4 117.4-126.3 9.6 -12.9 23.5 -12.0 88 88 X T < - 0 0 0 -3,-1.6 2,-0.4 -59,-0.4 -54,-0.2 -0.292 68.2-111.7 -73.4 161.3 -16.0 24.7 -10.1 89 89 X Q E -c 34 0B 73 -56,-1.9 -54,-3.1 -59,-0.3 2,-0.5 -0.828 31.5-149.5 -91.5 132.7 -16.3 28.1 -8.3 90 90 X L E -cd 35 53B 0 -38,-2.8 -36,-1.7 -2,-0.4 2,-0.4 -0.918 11.8-170.1-111.4 127.6 -16.4 27.7 -4.5 91 91 X F E -cd 36 54B 9 -56,-2.5 -54,-2.9 -2,-0.5 2,-0.4 -0.979 11.6-148.5-119.9 123.3 -18.3 30.2 -2.3 92 92 X G E -cd 37 55B 0 -38,-2.6 -36,-2.5 -2,-0.4 -35,-1.4 -0.738 12.3-174.2 -99.6 132.0 -17.8 30.1 1.5 93 93 X V E -cd 38 57B 0 -56,-2.6 -54,-2.1 -2,-0.4 2,-1.3 -0.962 16.9-147.8-126.0 110.1 -20.6 31.0 3.9 94 94 X K E +cd 39 58B 4 -37,-2.4 -35,-1.6 -2,-0.5 -34,-0.2 -0.660 42.7 142.4 -86.4 88.5 -19.4 31.0 7.6 95 95 X V + 0 0 0 -56,-1.4 2,-0.4 -2,-1.3 -1,-0.2 0.497 62.4 68.4 -95.1 -10.4 -22.5 30.0 9.6 96 96 X L S S- 0 0 10 -57,-2.2 6,-0.2 -3,-0.2 -57,-0.1 -0.918 80.2-131.3-116.0 138.4 -20.3 28.0 12.0 97 97 X D > - 0 0 45 4,-3.2 3,-2.5 -2,-0.4 -2,-0.1 -0.055 41.1 -85.5 -77.9-177.0 -17.8 29.5 14.4 98 98 X D T 3 S+ 0 0 68 1,-0.3 -29,-0.1 2,-0.2 -1,-0.1 0.598 130.7 57.7 -72.6 -7.8 -14.2 28.3 14.8 99 99 X N T 3 S- 0 0 141 2,-0.2 -1,-0.3 -32,-0.0 3,-0.1 0.350 120.9-110.5 -93.2 2.7 -15.4 25.7 17.3 100 100 X G S < S+ 0 0 32 -3,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.607 78.5 128.2 78.2 13.1 -17.7 24.3 14.6 101 101 X S + 0 0 68 -61,-0.1 -4,-3.2 -5,-0.0 2,-0.3 -0.677 30.5 172.0-102.4 156.3 -20.8 25.5 16.4 102 102 X G - 0 0 28 -2,-0.3 2,-0.1 -6,-0.2 -6,-0.1 -0.914 33.1-117.2-161.9 136.0 -23.7 27.6 15.1 103 103 X Q >> - 0 0 114 -2,-0.3 4,-2.0 -8,-0.1 3,-0.7 -0.444 32.2-121.3 -62.9 143.6 -27.1 28.8 16.4 104 104 X Y H 3> S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.872 112.0 60.8 -55.7 -38.4 -29.9 27.5 14.2 105 105 X S H 3> S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.874 106.0 45.0 -59.4 -38.3 -30.9 31.1 13.5 106 106 X T H <> S+ 0 0 12 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.880 111.5 53.6 -72.0 -39.9 -27.6 31.9 11.9 107 107 X I H X S+ 0 0 7 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.918 109.6 47.7 -60.4 -45.0 -27.6 28.7 9.9 108 108 X I H X S+ 0 0 30 -4,-2.6 4,-2.4 2,-0.2 3,-0.3 0.938 109.8 52.7 -59.8 -47.8 -31.1 29.6 8.6 109 109 X A H X S+ 0 0 39 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.921 107.3 53.1 -56.0 -46.0 -29.9 33.1 7.7 110 110 X G H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.844 108.2 50.2 -56.2 -37.4 -27.0 31.5 5.8 111 111 X M H X S+ 0 0 0 -4,-1.7 4,-1.8 -3,-0.3 -2,-0.2 0.945 111.7 46.5 -69.1 -46.7 -29.3 29.4 3.7 112 112 X D H X S+ 0 0 60 -4,-2.4 4,-1.4 1,-0.2 5,-0.2 0.848 108.9 58.4 -61.5 -35.1 -31.5 32.3 2.8 113 113 X F H >X S+ 0 0 46 -4,-2.4 4,-4.2 -5,-0.3 3,-0.6 0.956 105.9 46.6 -55.4 -55.1 -28.4 34.3 2.0 114 114 X V H 3X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.3 -2,-0.2 0.859 105.8 59.5 -60.2 -38.7 -27.3 31.7 -0.7 115 115 X A H 3< S+ 0 0 18 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.832 119.2 30.1 -58.9 -37.1 -30.8 31.6 -2.2 116 116 X S H X< S+ 0 0 73 -4,-1.4 3,-2.3 -3,-0.6 4,-0.2 0.872 115.5 60.7 -81.2 -48.1 -30.4 35.4 -2.9 117 117 X D H >< S+ 0 0 6 -4,-4.2 3,-3.0 1,-0.3 4,-0.3 0.794 87.5 70.4 -58.1 -32.1 -26.7 35.5 -3.3 118 118 X K G >< S+ 0 0 39 -4,-2.4 3,-1.0 1,-0.3 -1,-0.3 0.770 90.6 65.4 -54.9 -24.4 -26.6 33.1 -6.3 119 119 X N G < S+ 0 0 114 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.582 100.8 49.6 -71.2 -12.5 -28.2 36.0 -8.2 120 120 X N G < S+ 0 0 121 -3,-3.0 2,-0.3 -4,-0.2 -1,-0.2 0.291 103.2 78.6-106.0 5.4 -25.0 37.9 -7.6 121 121 X R S < S- 0 0 70 -3,-1.0 2,-0.8 -4,-0.3 -87,-0.1 -0.788 80.1-121.9-114.7 153.7 -22.7 35.1 -8.9 122 122 X N + 0 0 150 -2,-0.3 -90,-0.1 -89,-0.1 -3,-0.1 -0.838 50.1 144.1 -97.9 102.5 -21.9 33.9 -12.4 123 123 X a > + 0 0 20 -2,-0.8 3,-1.3 -5,-0.2 -89,-0.2 -0.506 11.1 165.5-140.2 62.9 -22.9 30.2 -12.5 124 124 X P T 3 S+ 0 0 104 0, 0.0 -91,-0.2 0, 0.0 -1,-0.1 0.794 79.6 48.8 -59.0 -27.9 -24.3 29.4 -16.0 125 125 X K T 3 S- 0 0 115 -93,-2.7 -92,-0.2 1,-0.3 2,-0.2 0.629 122.4 -84.4 -89.4 -12.0 -24.1 25.6 -15.5 126 126 X G E < -b 33 0B 16 -3,-1.3 -92,-1.9 -94,-0.6 2,-0.4 -0.598 35.7 -88.6 132.3 169.1 -25.9 25.7 -12.1 127 127 X V E -be 34 153B 11 25,-0.5 27,-2.9 -94,-0.2 2,-0.3 -0.943 29.0-177.1-124.0 134.6 -25.7 26.2 -8.4 128 128 X V E -be 35 154B 0 -94,-2.4 -92,-2.9 -2,-0.4 2,-0.4 -0.928 10.0-156.8-125.5 148.9 -25.1 23.7 -5.6 129 129 X A E -be 36 155B 0 25,-2.9 27,-3.0 -2,-0.3 2,-0.5 -0.999 4.1-158.4-129.1 129.7 -25.0 24.1 -1.8 130 130 X S E -be 37 156B 1 -94,-2.9 -92,-2.1 -2,-0.4 2,-0.7 -0.940 8.6-174.9-108.3 115.4 -23.1 21.7 0.5 131 131 X L E + e 0 157B 0 25,-3.1 27,-2.0 -2,-0.5 2,-1.5 -0.815 8.4 175.3-115.4 89.7 -24.3 21.7 4.2 132 132 X S + 0 0 5 -2,-0.7 2,-0.3 -94,-0.5 92,-0.1 -0.530 54.7 82.2 -94.7 70.0 -22.1 19.5 6.3 133 133 X L + 0 0 18 -2,-1.5 25,-0.4 25,-0.1 2,-0.3 -0.958 45.8 156.6-158.4 169.5 -23.9 20.4 9.5 134 134 X G - 0 0 51 -2,-0.3 2,-0.3 37,-0.1 25,-0.1 -0.963 11.4-177.8 176.4 170.6 -27.0 19.4 11.5 135 135 X G E -K 170 0C 24 35,-1.7 35,-2.5 -2,-0.3 37,-0.2 -0.858 52.6 -36.3-162.7-167.1 -28.7 19.3 14.9 136 136 X G E S-K 169 0C 42 -2,-0.3 33,-0.3 33,-0.2 34,-0.1 -0.182 85.2 -64.3 -64.6 160.7 -31.9 18.0 16.3 137 137 X Y + 0 0 133 31,-1.6 2,-0.3 32,-0.1 -1,-0.2 -0.119 58.7 169.2 -48.7 131.8 -35.2 18.2 14.3 138 138 X S > - 0 0 24 -3,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.938 29.1-155.5-144.7 122.2 -36.3 21.8 13.6 139 139 X S H > S+ 0 0 77 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.849 98.7 54.7 -63.6 -32.8 -39.1 22.6 11.2 140 140 X S H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.931 108.7 47.2 -68.7 -43.0 -37.6 26.1 10.7 141 141 X V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.902 113.9 47.9 -60.7 -42.7 -34.3 24.7 9.7 142 142 X N H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.904 110.1 52.4 -65.9 -41.8 -35.9 22.2 7.3 143 143 X S H X S+ 0 0 54 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.891 107.0 52.3 -60.7 -39.6 -38.0 24.9 5.8 144 144 X A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.930 110.4 48.3 -64.2 -41.9 -34.9 27.0 5.2 145 145 X A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.884 110.4 52.4 -62.3 -39.3 -33.3 24.1 3.4 146 146 X A H X S+ 0 0 25 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.925 109.0 49.5 -67.1 -40.7 -36.5 23.6 1.4 147 147 X R H X S+ 0 0 93 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.925 108.5 52.4 -59.3 -45.9 -36.5 27.3 0.3 148 148 X L H <>S+ 0 0 0 -4,-2.2 5,-1.0 1,-0.2 4,-0.3 0.938 113.4 44.8 -58.5 -46.4 -32.9 27.1 -0.8 149 149 X Q H >X5S+ 0 0 27 -4,-2.1 3,-1.9 1,-0.2 4,-0.5 0.929 111.3 51.8 -60.9 -51.6 -33.7 24.1 -2.9 150 150 X S H 3<5S+ 0 0 97 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.834 100.0 65.6 -56.6 -32.2 -36.9 25.6 -4.3 151 151 X S T 3<5S- 0 0 42 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.608 129.2 -89.9 -67.7 -11.3 -34.9 28.7 -5.3 152 152 X G T <45S+ 0 0 36 -3,-1.9 -25,-0.5 1,-0.3 2,-0.4 0.721 86.7 126.2 107.4 26.3 -32.9 26.7 -7.8 153 153 X V E << -e 127 0B 0 -5,-1.0 2,-0.9 -4,-0.5 -1,-0.3 -0.963 61.7-126.3-114.2 128.6 -29.9 25.5 -5.7 154 154 X M E -e 128 0B 1 -27,-2.9 -25,-2.9 -2,-0.4 2,-0.6 -0.684 33.0-153.4 -70.7 108.6 -29.1 21.7 -5.5 155 155 X V E -e 129 0B 0 -2,-0.9 23,-3.1 90,-0.2 2,-0.4 -0.776 16.8-177.6 -96.7 119.9 -29.0 21.3 -1.8 156 156 X A E +ef 130 178B 0 -27,-3.0 -25,-3.1 -2,-0.6 2,-0.3 -0.960 8.7 179.6-113.1 128.4 -26.9 18.5 -0.3 157 157 X V E -ef 131 179B 0 21,-2.9 23,-2.7 -2,-0.4 2,-0.3 -0.933 30.7-106.0-130.4 150.1 -26.9 17.9 3.4 158 158 X A E - f 0 180B 5 -27,-2.0 14,-0.2 -25,-0.4 23,-0.2 -0.568 17.2-142.4 -73.8 134.2 -25.2 15.5 5.9 159 159 X A - 0 0 0 21,-2.4 22,-0.1 -2,-0.3 -1,-0.1 0.748 52.8-110.4 -61.2 -30.8 -27.4 12.8 7.3 160 160 X G - 0 0 16 20,-0.3 34,-2.5 34,-0.1 3,-0.2 -0.229 13.7-102.9 110.2 165.2 -25.6 13.2 10.7 161 161 X N S S+ 0 0 77 32,-0.2 32,-0.2 1,-0.2 -1,-0.1 -0.200 82.8 103.3-119.5 38.1 -23.1 11.0 12.7 162 162 X N S S- 0 0 85 2,-0.2 31,-0.2 0, 0.0 -1,-0.2 0.296 84.8-122.0-104.3 5.0 -25.3 9.5 15.4 163 163 X N S S+ 0 0 76 29,-2.3 2,-0.2 -3,-0.2 31,-0.2 0.934 80.6 114.2 45.2 50.7 -25.6 5.9 14.0 164 164 X A S S- 0 0 23 28,-0.3 31,-2.4 -4,-0.1 2,-0.4 -0.808 81.4 -70.8-142.5 169.7 -29.3 6.8 14.2 165 165 X D B > -l 195 0D 37 -2,-0.2 3,-1.3 29,-0.2 31,-0.2 -0.618 38.5-145.8 -71.7 125.3 -32.4 7.5 12.1 166 166 X A G > S+ 0 0 0 29,-3.2 3,-2.0 -2,-0.4 -1,-0.1 0.551 84.5 89.2 -71.8 -10.7 -31.9 10.8 10.4 167 167 X R G 3 S+ 0 0 142 28,-0.3 -1,-0.3 1,-0.3 6,-0.1 0.761 85.3 57.7 -53.9 -24.6 -35.6 11.7 10.6 168 168 X N G < S+ 0 0 97 -3,-1.3 -31,-1.6 -31,-0.1 2,-0.3 0.214 99.4 72.7 -93.9 14.8 -34.7 13.2 14.0 169 169 X Y E <> S-K 136 0C 56 -3,-2.0 4,-2.2 -33,-0.3 -33,-0.2 -0.918 76.9-104.5-132.6 157.1 -32.2 15.6 12.6 170 170 X S E 4 S+K 135 0C 0 -35,-2.5 -35,-1.7 -2,-0.3 -31,-0.1 -0.993 93.8 3.6-136.8 140.3 -32.2 18.8 10.6 171 171 X P T >4 S+ 0 0 0 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.978 123.4 70.5 -77.9 7.1 -31.7 19.7 7.8 172 172 X A T 34 S+ 0 0 3 1,-0.3 -2,-0.3 -14,-0.2 -15,-0.1 0.847 96.4 53.9 -53.2 -37.4 -31.1 16.0 7.3 173 173 X S T 3< S+ 0 0 13 -4,-2.2 -1,-0.3 -7,-0.1 -3,-0.1 0.494 77.0 115.7 -80.8 -2.5 -34.8 15.2 7.7 174 174 X E X - 0 0 28 -3,-2.0 3,-1.0 1,-0.1 5,-0.1 -0.571 56.5-152.2 -73.2 119.1 -36.0 17.6 5.0 175 175 X P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.806 87.2 58.0 -59.5 -35.1 -37.6 15.6 2.1 176 176 X S T 3 S+ 0 0 58 2,-0.1 -21,-0.2 0, 0.0 2,-0.2 0.579 98.2 67.4 -84.0 -6.3 -36.9 18.1 -0.7 177 177 X V S < S- 0 0 2 -3,-1.0 2,-0.9 -6,-0.2 -21,-0.2 -0.614 92.8 -96.5-108.1 171.0 -33.1 18.2 -0.3 178 178 X b E -f 156 0B 0 -23,-3.1 -21,-2.9 -2,-0.2 2,-0.5 -0.758 36.1-160.3 -90.9 109.2 -30.4 15.5 -0.9 179 179 X T E -f 157 0B 0 -2,-0.9 21,-2.8 19,-0.4 22,-1.5 -0.789 9.3-155.6 -95.5 128.0 -29.6 13.8 2.4 180 180 X V E -fg 158 201B 0 -23,-2.7 -21,-2.4 -2,-0.5 -20,-0.3 -0.889 8.3-164.1-119.2 117.6 -26.2 12.0 2.3 181 181 X G E - g 0 202B 0 20,-2.7 22,-2.2 -2,-0.5 2,-0.3 -0.468 25.8-112.1 -89.9 172.0 -25.0 9.1 4.4 182 182 X A E - g 0 203B 0 12,-0.3 8,-2.3 20,-0.2 2,-0.3 -0.824 28.4-176.1-111.2 142.9 -21.4 8.0 4.8 183 183 X S E -Hg 189 204B 0 20,-1.6 22,-2.8 -2,-0.3 23,-1.5 -0.890 17.6-128.7-128.7 162.7 -19.5 4.8 3.5 184 184 X D > - 0 0 18 4,-2.4 3,-2.2 -2,-0.3 23,-0.1 -0.498 36.9 -92.8-107.5 178.4 -16.0 3.4 3.9 185 185 X R T 3 S+ 0 0 114 1,-0.3 -166,-0.5 21,-0.2 22,-0.0 0.637 124.8 56.4 -73.5 -9.7 -13.5 2.2 1.4 186 186 X Y T 3 S- 0 0 152 2,-0.1 -1,-0.3 -168,-0.1 3,-0.1 0.210 121.1-107.5-100.9 15.5 -14.7 -1.4 1.8 187 187 X D S < S+ 0 0 10 -3,-2.2 75,-2.1 1,-0.2 2,-0.3 0.759 74.3 139.2 64.8 27.3 -18.2 -0.3 0.9 188 188 X R B -m 262 0E 120 73,-0.2 -4,-2.4 75,-0.1 -1,-0.2 -0.739 66.0-101.2 -93.9 147.2 -19.5 -0.6 4.5 189 189 X R B -H 183 0B 16 73,-2.3 -6,-0.3 -2,-0.3 -1,-0.0 -0.538 52.5-101.3 -57.2 132.0 -21.9 1.9 5.9 190 190 X S > - 0 0 1 -8,-2.3 3,-1.2 -2,-0.2 -8,-0.2 -0.371 29.3-120.0 -56.7 140.9 -19.6 4.1 8.0 191 191 X S T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.784 111.8 41.9 -58.4 -32.8 -20.1 3.1 11.7 192 192 X F T 3 S+ 0 0 43 -30,-0.1 -29,-2.3 -29,-0.1 -28,-0.3 0.575 87.5 121.9 -89.0 -11.6 -21.3 6.6 12.7 193 193 X S < - 0 0 0 -3,-1.2 -32,-0.2 -31,-0.2 -12,-0.1 -0.306 59.0-131.4 -63.7 129.7 -23.5 7.2 9.6 194 194 X N - 0 0 0 -34,-2.5 -12,-0.3 -31,-0.2 2,-0.2 -0.275 29.5-174.3 -60.9 163.2 -27.1 8.0 10.2 195 195 X Y B +l 165 0D 62 -31,-2.4 -29,-3.2 -36,-0.1 -28,-0.3 -0.711 19.9 108.4-145.7-171.0 -29.6 6.1 8.1 196 196 X G S > S- 0 0 3 -2,-0.2 3,-1.6 -31,-0.2 73,-0.4 -0.424 77.3 -56.5 120.3 169.7 -33.4 5.9 7.4 197 197 X S T 3 S+ 0 0 97 1,-0.3 -1,-0.2 71,-0.1 70,-0.0 0.759 122.7 65.3 -54.6 -29.8 -36.0 6.6 4.9 198 198 X V T 3 S+ 0 0 19 -3,-0.2 -19,-0.4 -39,-0.0 -1,-0.3 0.682 79.2 101.0 -75.4 -15.9 -35.0 10.3 4.6 199 199 X L < - 0 0 4 -3,-1.6 70,-0.3 1,-0.1 -19,-0.2 -0.456 46.5-178.0 -65.1 140.1 -31.5 9.4 3.2 200 200 X D - 0 0 46 -21,-2.8 2,-0.3 1,-0.4 -20,-0.2 0.688 61.0 -8.7-106.2 -25.9 -31.3 9.8 -0.6 201 201 X I E -g 180 0B 0 -22,-1.5 -20,-2.7 68,-0.1 -1,-0.4 -0.971 56.5-125.9-165.8 158.4 -27.7 8.7 -1.3 202 202 X F E +gi 181 272B 0 69,-1.4 71,-2.9 -2,-0.3 -20,-0.2 -0.934 24.4 177.0-114.0 146.8 -24.4 7.6 0.2 203 203 X G E -g 182 0B 0 -22,-2.2 -20,-1.6 -2,-0.3 23,-0.2 -0.935 45.7 -69.0-136.7 167.4 -20.9 9.0 -0.5 204 204 X P E +g 183 0B 0 0, 0.0 25,-0.2 0, 0.0 -20,-0.2 -0.344 59.1 150.6 -56.6 127.7 -17.4 8.3 0.8 205 205 X G + 0 0 0 -22,-2.8 17,-2.6 20,-0.1 2,-0.5 0.467 38.9 87.4-138.6 -7.6 -17.1 9.5 4.4 206 206 X T S S- 0 0 30 -23,-1.5 -21,-0.2 1,-0.2 15,-0.2 -0.893 103.5 -6.5-104.0 127.4 -14.6 7.5 6.2 207 207 X S S S+ 0 0 59 -2,-0.5 2,-0.6 1,-0.2 -1,-0.2 0.971 82.6 177.8 61.7 60.4 -10.9 8.4 6.2 208 208 X I E -N 220 0F 4 12,-2.6 12,-1.7 -3,-0.3 2,-0.4 -0.871 19.7-146.8-104.6 111.5 -11.2 11.2 3.6 209 209 X L E +N 219 0F 64 -2,-0.6 2,-0.3 10,-0.2 10,-0.2 -0.628 38.1 134.0 -78.6 128.9 -8.1 13.1 2.7 210 210 X S E -N 218 0F 0 8,-2.1 8,-2.1 -2,-0.4 -138,-0.1 -0.901 52.9 -54.2-156.0-174.0 -8.6 16.8 1.8 211 211 X T E -N 217 0F 0 -139,-0.4 6,-0.3 -140,-0.3 2,-0.3 -0.245 46.1-170.4 -67.6 156.8 -7.4 20.3 2.4 212 212 X W E > -N 216 0F 25 4,-2.9 4,-1.1 -141,-0.1 3,-0.4 -0.938 31.8 -82.2-141.0 170.4 -6.9 21.9 5.8 213 213 X I T >4 S+ 0 0 37 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 -0.140 109.4 47.8 -71.3 168.8 -6.2 25.3 7.2 214 214 X G T 34 S- 0 0 71 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.744 132.5 -76.8 68.9 20.0 -2.6 26.6 7.4 215 215 X G T 34 S+ 0 0 37 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.842 103.8 117.4 59.3 35.4 -2.4 25.4 3.8 216 216 X S E << -N 212 0F 46 -4,-1.1 -4,-2.9 -3,-0.7 2,-0.3 -0.365 55.4-124.0-115.6-163.1 -2.1 21.7 4.8 217 217 X T E +N 211 0F 57 -6,-0.3 2,-0.3 -2,-0.1 -6,-0.2 -0.953 23.4 169.7-141.1 156.4 -4.0 18.5 4.4 218 218 X R E -N 210 0F 123 -8,-2.1 -8,-2.1 -2,-0.3 2,-0.5 -0.962 31.3-117.8-161.3 161.0 -5.6 15.8 6.6 219 219 X S E +N 209 0F 65 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.874 40.9 159.0-101.6 124.3 -7.8 12.7 6.6 220 220 X I E -N 208 0F 44 -12,-1.7 -12,-2.6 -2,-0.5 2,-0.3 -0.892 27.1-128.9-137.6 175.0 -11.0 12.9 8.7 221 221 X S + 0 0 58 -2,-0.3 2,-0.2 -14,-0.2 -15,-0.2 -0.932 41.6 100.3-131.3 144.4 -14.3 11.1 8.8 222 222 X G S >> S- 0 0 1 -17,-2.6 3,-1.8 -2,-0.3 4,-1.3 -0.806 76.5 -92.4 161.6 162.2 -18.1 12.1 8.8 223 223 X T H 3> S+ 0 0 2 1,-0.3 4,-2.2 -2,-0.2 -64,-0.1 0.684 123.1 73.9 -66.5 -17.8 -21.2 12.4 6.8 224 224 X S H 34 S+ 0 0 7 1,-0.2 -1,-0.3 2,-0.2 -92,-0.1 0.781 98.1 43.1 -53.3 -30.6 -19.7 15.9 6.7 225 225 X M H <> S+ 0 0 2 -3,-1.8 4,-0.6 -20,-0.2 -2,-0.2 0.823 111.6 52.7 -91.4 -33.9 -17.1 14.3 4.2 226 226 X A H >X S+ 0 0 0 -4,-1.3 4,-1.5 -23,-0.2 3,-0.9 0.898 100.8 62.9 -65.4 -42.8 -19.7 12.4 2.2 227 227 X T H 3X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-0.3 0.897 99.6 50.7 -51.7 -53.8 -21.9 15.4 1.6 228 228 X P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.727 104.8 59.3 -63.8 -20.0 -19.2 17.4 -0.5 229 229 X H H S+ 0 0 2 -4,-2.7 5,-1.9 1,-0.2 6,-0.9 0.809 109.5 54.7 -69.3 -31.1 -23.1 16.6 -13.7 238 238 X M H ><5S+ 0 0 6 -4,-2.3 3,-0.9 -5,-0.2 -1,-0.2 0.915 107.1 48.7 -69.5 -40.4 -24.7 20.0 -14.1 239 239 X T H 3<5S+ 0 0 12 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.853 107.5 56.7 -67.7 -30.8 -21.8 21.3 -16.2 240 240 X L T 3<5S- 0 0 58 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.650 113.1-122.5 -72.6 -10.9 -22.1 18.2 -18.3 241 241 X G T < 5S+ 0 0 64 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.578 78.6 122.5 81.3 10.3 -25.7 19.1 -18.9 242 242 X K S > - 0 0 78 -2,-0.2 4,-1.6 -3,-0.0 3,-0.6 -0.787 40.8 -93.0-136.4 174.5 -30.3 20.5 -13.1 245 245 X A T 34 S+ 0 0 12 -2,-0.2 4,-0.4 1,-0.2 -90,-0.2 0.871 123.3 50.3 -62.5 -37.5 -30.5 21.7 -9.5 246 246 X A T 34 S+ 0 0 85 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.735 122.7 28.7 -73.4 -24.7 -34.1 20.5 -9.2 247 247 X S T <> S+ 0 0 42 -3,-0.6 4,-2.9 2,-0.1 -2,-0.2 0.437 90.0 98.2-117.7 -1.1 -33.5 17.0 -10.5 248 248 X A H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.862 83.3 51.0 -62.8 -44.1 -29.8 16.3 -9.5 249 249 X b H > S+ 0 0 25 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.949 115.2 43.8 -57.0 -52.8 -30.5 14.3 -6.3 250 250 X R H > S+ 0 0 195 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.898 112.9 52.1 -53.3 -49.2 -32.9 12.1 -8.2 251 251 X Y H X S+ 0 0 50 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.934 110.7 47.7 -56.4 -44.5 -30.5 11.8 -11.1 252 252 X I H X S+ 0 0 0 -4,-2.9 4,-0.6 2,-0.2 22,-0.2 0.917 113.2 47.8 -64.7 -44.7 -27.7 10.8 -8.8 253 253 X A H >< S+ 0 0 21 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.942 112.1 51.0 -58.0 -48.8 -29.9 8.2 -7.1 254 254 X D H 3< S+ 0 0 110 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.819 117.7 37.2 -53.4 -40.9 -31.0 6.9 -10.5 255 255 X T H 3< S+ 0 0 25 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.329 94.4 121.3-102.6 6.5 -27.4 6.5 -11.8 256 256 X A S << S- 0 0 4 -3,-0.8 2,-0.4 -4,-0.6 17,-0.2 -0.157 77.3 -97.2 -65.6 155.6 -25.9 5.3 -8.4 257 257 X N E -J 272 0B 14 15,-2.5 15,-2.5 -242,-0.1 2,-0.4 -0.679 53.7-149.8 -65.2 129.8 -24.1 2.0 -7.7 258 258 X K E +J 271 0B 113 -2,-0.4 13,-0.2 13,-0.2 11,-0.0 -0.915 58.9 1.8-121.0 134.4 -27.0 -0.0 -6.3 259 259 X G S S+ 0 0 54 11,-2.5 -1,-0.2 -2,-0.4 12,-0.1 0.590 93.1 111.5 76.4 12.8 -27.1 -2.8 -3.7 260 260 X D + 0 0 75 10,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.615 49.5 89.7 -99.0 -13.8 -23.3 -2.7 -3.1 261 261 X L - 0 0 10 -4,-0.1 3,-0.3 -73,-0.1 -73,-0.2 -0.589 63.8-141.3 -88.2 148.1 -23.1 -1.3 0.5 262 262 X S B S+m 188 0E 56 -75,-2.1 -73,-2.3 -2,-0.2 -2,-0.1 -0.665 77.5 27.8-105.5 160.8 -23.1 -3.5 3.6 263 263 X N S S+ 0 0 111 -2,-0.2 -1,-0.2 1,-0.2 -75,-0.1 0.789 73.4 152.9 54.2 37.4 -24.8 -2.8 6.9 264 264 X I - 0 0 30 -3,-0.3 -1,-0.2 4,-0.1 3,-0.1 -0.845 47.4-122.1 -87.1 116.2 -27.5 -0.7 5.3 265 265 X P > - 0 0 35 0, 0.0 3,-2.2 0, 0.0 -69,-0.2 -0.283 36.5 -84.3 -62.3 149.1 -30.5 -1.0 7.7 266 266 X F T 3 S+ 0 0 220 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.272 118.4 24.9 -50.0 125.3 -33.7 -2.4 6.2 267 267 X G T 3 S+ 0 0 59 1,-0.4 2,-0.3 -3,-0.1 -1,-0.2 0.318 95.8 109.5 100.9 -4.2 -35.6 0.5 4.6 268 268 X T S < S- 0 0 15 -3,-2.2 -1,-0.4 1,-0.1 -71,-0.1 -0.788 78.5 -99.9-101.2 142.1 -32.6 2.7 3.9 269 269 X V - 0 0 52 -73,-0.4 2,-0.7 -2,-0.3 -73,-0.1 -0.376 20.8-149.6 -61.0 140.3 -31.5 3.2 0.3 270 270 X N + 0 0 42 -6,-0.1 -11,-2.5 -2,-0.1 2,-0.4 -0.752 51.6 129.6-106.8 75.6 -28.5 1.1 -0.8 271 271 X L E - J 0 258B 26 -2,-0.7 -69,-1.4 -13,-0.2 2,-0.5 -0.999 40.0-162.8-137.3 131.4 -27.1 3.6 -3.4 272 272 X L E -iJ 202 257B 1 -15,-2.5 -15,-2.5 -2,-0.4 -69,-0.2 -0.970 33.9-106.3-119.0 125.2 -23.6 4.9 -3.7 273 273 X A + 0 0 0 -71,-2.9 2,-0.3 -2,-0.5 -20,-0.1 -0.240 45.8 173.7 -54.2 138.8 -22.9 8.1 -5.6 274 274 X Y - 0 0 34 -22,-0.2 -260,-0.2 -260,-0.1 -261,-0.1 -0.979 33.6-146.8-154.5 132.2 -21.3 7.3 -9.0 275 275 X N - 0 0 7 -262,-3.0 3,-0.1 -2,-0.3 -261,-0.1 0.549 27.3-142.1 -85.8 -6.6 -20.4 9.6 -11.9 276 276 X N + 0 0 73 -263,-0.3 2,-0.5 1,-0.2 -262,-0.1 0.806 38.2 169.7 51.8 32.3 -21.0 7.0 -14.5 277 277 X Y - 0 0 40 -253,-0.2 2,-0.8 1,-0.0 -1,-0.2 -0.628 26.3-157.3 -79.1 127.4 -18.1 8.4 -16.4 278 278 X Q 0 0 66 -2,-0.5 -1,-0.0 -3,-0.1 -253,-0.0 -0.881 360.0 360.0-103.0 105.1 -16.9 6.3 -19.4 279 279 X A 0 0 121 -2,-0.8 -253,-0.0 -253,-0.0 -277,-0.0 -0.252 360.0 360.0 -61.2 360.0 -13.3 7.3 -20.0