==== 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 20-JUL-08 3DVR . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITIRACHIUM 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) . 10232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 14.3 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 . 24 8.6 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 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 2 2 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 35 0, 0.0 24,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 152.7 -9.4 12.7 -17.6 2 2 X A E -A 24 0A 64 22,-0.2 2,-0.6 2,-0.0 22,-0.2 -0.998 360.0-165.9-133.8 126.9 -7.6 10.4 -15.2 3 3 X Q E > -A 23 0A 30 20,-2.7 20,-2.3 -2,-0.4 3,-0.6 -0.948 20.5-148.0-110.2 108.6 -6.1 11.4 -11.8 4 4 X T T 3 S+ 0 0 98 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.398 75.9 16.6 -77.0 155.5 -3.8 8.6 -10.5 5 5 X N T 3 S+ 0 0 142 1,-0.1 -1,-0.2 16,-0.1 17,-0.2 0.880 88.5 169.1 49.5 43.8 -3.4 7.9 -6.8 6 6 X A < - 0 0 8 15,-2.4 -1,-0.1 -3,-0.6 76,-0.1 -0.401 47.8 -79.1 -75.7 158.6 -6.5 9.9 -6.1 7 7 X P >> - 0 0 20 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.320 49.2-112.3 -53.3 144.7 -8.1 9.9 -2.6 8 8 X W H 3> S+ 0 0 20 1,-0.3 4,-2.4 199,-0.2 12,-0.2 0.824 114.4 57.8 -54.4 -36.0 -10.1 6.7 -2.4 9 9 X G H 3> S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.868 105.5 48.7 -65.3 -38.5 -13.5 8.5 -2.4 10 10 X L H <> S+ 0 0 0 -3,-0.8 4,-0.9 2,-0.2 14,-0.3 0.944 112.6 48.0 -65.1 -47.6 -12.8 10.2 -5.7 11 11 X A H >< S+ 0 0 0 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.897 110.7 53.4 -58.4 -38.2 -11.8 6.9 -7.2 12 12 X R H >< S+ 0 0 4 -4,-2.4 3,-1.7 -5,-0.2 -1,-0.2 0.902 101.3 58.3 -64.8 -41.2 -15.0 5.4 -5.8 13 13 X I H 3< S+ 0 0 0 -4,-2.0 262,-3.1 1,-0.3 263,-0.3 0.690 112.0 41.0 -64.4 -20.2 -17.3 8.0 -7.3 14 14 X S T << S+ 0 0 8 -4,-0.9 2,-0.4 -3,-0.7 -1,-0.3 0.136 105.3 87.0-111.7 20.9 -16.1 7.1 -10.8 15 15 X S < - 0 0 16 -3,-1.7 242,-0.1 -5,-0.1 261,-0.1 -0.934 64.5-147.7-127.1 144.5 -16.0 3.3 -10.3 16 16 X T S S+ 0 0 96 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.471 91.3 31.4 -79.3 -5.5 -18.4 0.4 -10.6 17 17 X S S S- 0 0 56 -5,-0.1 2,-0.4 240,-0.0 3,-0.3 -0.998 81.9-105.3-152.6 163.8 -16.4 -1.2 -7.7 18 18 X P S S+ 0 0 56 0, 0.0 167,-0.0 0, 0.0 168,-0.0 -0.706 86.8 53.6 -88.5 131.2 -14.4 -0.6 -4.5 19 19 X G S S+ 0 0 74 -2,-0.4 2,-0.3 1,-0.4 167,-0.1 0.563 74.4 112.4 121.4 21.0 -10.6 -1.0 -4.4 20 20 X T - 0 0 61 -3,-0.3 -1,-0.4 -12,-0.2 -9,-0.1 -0.780 46.3-158.7-116.8 167.7 -9.3 1.2 -7.2 21 21 X S + 0 0 66 -2,-0.3 -15,-2.4 -10,-0.1 2,-0.5 0.250 58.0 92.8-137.1 16.3 -7.3 4.5 -6.9 22 22 X T - 0 0 29 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.952 60.5-144.6-113.3 131.3 -7.7 6.5 -10.1 23 23 X Y E -A 3 0A 0 -20,-2.3 -20,-2.7 -2,-0.5 2,-0.4 -0.845 14.6-163.7 -94.9 125.1 -10.4 9.1 -10.5 24 24 X Y E +A 2 0A 96 -2,-0.5 2,-0.3 -14,-0.3 -22,-0.2 -0.939 21.0 150.6-111.4 131.3 -11.9 9.4 -13.9 25 25 X Y - 0 0 29 -24,-1.8 2,-0.2 -2,-0.4 -11,-0.0 -0.996 50.0 -89.8-157.1 153.1 -13.9 12.4 -14.9 26 26 X D > - 0 0 51 -2,-0.3 3,-2.1 1,-0.1 4,-0.1 -0.474 40.2-123.7 -65.6 135.2 -14.9 14.6 -17.9 27 27 X E T 3 S+ 0 0 106 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.670 103.5 79.6 -58.5 -21.7 -12.4 17.4 -18.4 28 28 X S T > S- 0 0 35 1,-0.1 3,-2.4 2,-0.1 -1,-0.3 0.865 74.8-174.7 -56.6 -36.2 -15.2 20.0 -18.1 29 29 X A T < - 0 0 0 -3,-2.1 58,-2.9 1,-0.3 59,-0.4 0.738 65.6 -52.6 54.0 35.0 -14.8 19.4 -14.3 30 30 X G T > S+ 0 0 0 206,-0.4 3,-2.1 1,-0.2 59,-0.3 0.598 84.0 168.0 77.6 10.2 -17.7 21.6 -13.2 31 31 X Q T < + 0 0 121 -3,-2.4 -1,-0.2 1,-0.3 57,-0.2 -0.336 67.9 23.1 -55.1 133.0 -16.5 24.7 -15.1 32 32 X G T 3 S+ 0 0 21 55,-0.5 93,-2.7 1,-0.4 94,-0.6 0.397 104.4 102.6 88.3 -4.5 -19.3 27.3 -15.1 33 33 X S E < -b 126 0B 1 -3,-2.1 56,-1.7 92,-0.2 -1,-0.4 -0.603 57.7-147.5 -99.9 169.0 -21.0 25.9 -12.0 34 34 X a E -bc 127 89B 0 92,-1.8 94,-2.4 -2,-0.2 2,-0.4 -0.998 6.2-163.2-137.1 142.9 -20.9 27.2 -8.4 35 35 X V E -bc 128 90B 0 54,-2.8 56,-2.5 -2,-0.3 2,-0.5 -0.987 9.1-151.2-127.9 123.8 -21.0 25.5 -5.0 36 36 X Y E -bc 129 91B 0 92,-2.9 94,-3.1 -2,-0.4 2,-0.7 -0.792 6.8-156.2 -86.8 130.3 -21.7 27.3 -1.8 37 37 X V E -bc 130 92B 0 54,-2.7 56,-2.3 -2,-0.5 2,-0.8 -0.940 6.1-164.0-109.7 108.6 -20.1 25.7 1.2 38 38 X I E + c 0 93B 0 92,-2.2 94,-0.5 -2,-0.7 56,-0.2 -0.837 51.5 83.2-100.4 104.1 -22.1 26.7 4.3 39 39 X D E S- c 0 94B 1 54,-2.2 57,-2.3 -2,-0.8 56,-1.5 -0.586 97.7 -31.2-168.9-145.5 -19.8 25.9 7.2 40 40 X T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 27,-0.2 0.361 98.2 -94.0 -84.8 4.7 -16.9 27.3 9.2 41 41 X G - 0 0 0 52,-0.4 -1,-0.4 -4,-0.2 2,-0.4 -0.605 37.7 -91.8 111.1-177.2 -15.6 29.2 6.1 42 42 X I - 0 0 4 21,-0.5 2,-1.7 -2,-0.2 3,-0.1 -0.990 19.4-130.3-139.8 131.1 -13.0 28.4 3.5 43 43 X E > - 0 0 41 -2,-0.4 3,-1.9 1,-0.2 6,-0.2 -0.636 30.9-175.6 -77.2 88.6 -9.3 29.2 3.5 44 44 X A T 3 S+ 0 0 32 -2,-1.7 7,-0.5 1,-0.3 9,-0.4 0.757 73.1 65.0 -64.3 -25.3 -9.4 30.7 -0.0 45 45 X S T 3 S+ 0 0 103 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.548 70.7 121.9 -76.1 -6.1 -5.7 31.3 -0.2 46 46 X H X> - 0 0 10 -3,-1.9 3,-2.4 1,-0.2 4,-0.5 -0.385 68.7-133.1 -58.5 125.7 -5.0 27.6 -0.1 47 47 X P G >4 S+ 0 0 76 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.804 102.1 70.7 -51.4 -30.2 -3.0 26.7 -3.3 48 48 X E G 34 S+ 0 0 11 1,-0.2 32,-2.5 2,-0.1 33,-0.1 0.704 93.9 55.0 -60.5 -20.9 -5.4 23.8 -3.8 49 49 X F G X4 S- 0 0 0 -3,-2.4 3,-2.6 30,-0.2 -1,-0.2 0.620 90.4-150.0 -91.0 -14.2 -8.2 26.2 -4.7 50 50 X E T << - 0 0 100 -3,-1.2 -2,-0.1 -4,-0.5 -5,-0.1 0.779 67.7 -57.1 55.9 32.2 -6.3 28.0 -7.5 51 51 X G T 3 S+ 0 0 69 -7,-0.5 -1,-0.3 -5,-0.4 -6,-0.1 0.467 116.5 111.1 79.5 0.9 -8.1 31.2 -6.9 52 52 X R < + 0 0 23 -3,-2.6 38,-2.9 26,-0.1 2,-0.3 0.481 62.3 75.7 -86.6 -3.7 -11.5 29.6 -7.5 53 53 X A E +d 90 0B 9 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.834 53.6 163.9-108.9 148.6 -12.6 29.9 -3.8 54 54 X Q E -d 91 0B 96 36,-1.7 38,-2.8 -2,-0.3 2,-0.4 -0.977 36.7-117.7-157.3 146.8 -13.8 33.0 -2.0 55 55 X M E +d 92 0B 33 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.742 30.4 171.4 -80.9 132.4 -15.6 34.0 1.1 56 56 X V E + 0 0 26 36,-2.8 2,-0.3 -2,-0.4 37,-0.2 0.556 60.8 14.3-116.0 -15.1 -18.9 35.8 0.4 57 57 X K E +d 93 0B 77 35,-1.4 37,-2.9 6,-0.1 -1,-0.3 -0.963 50.8 176.4-162.5 141.1 -20.5 36.0 3.9 58 58 X T E -d 94 0B 37 -2,-0.3 37,-0.1 35,-0.2 5,-0.1 -0.976 19.6-161.0-140.3 156.2 -19.8 35.6 7.6 59 59 X Y S S+ 0 0 67 35,-1.4 2,-0.2 -2,-0.3 36,-0.1 0.206 76.5 69.7-113.4 10.1 -21.9 36.1 10.7 60 60 X Y S S- 0 0 32 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.602 103.1 -85.2-124.6-179.2 -18.9 36.4 13.0 61 61 X Y S S+ 0 0 230 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.679 111.6 25.1 -70.6 -14.2 -16.1 38.8 13.6 62 62 X S - 0 0 51 2,-0.1 -2,-0.4 1,-0.1 -3,-0.2 -0.971 60.2-143.2-143.4 158.2 -14.1 37.3 10.8 63 63 X S + 0 0 52 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.422 68.3 117.5 -94.9 -2.3 -14.7 35.3 7.6 64 64 X R S S- 0 0 65 -23,-0.1 2,-1.1 1,-0.1 -2,-0.1 -0.393 71.5-123.9 -67.4 139.8 -11.5 33.2 8.2 65 65 X D + 0 0 10 1,-0.2 -24,-0.1 -23,-0.1 -1,-0.1 -0.767 35.8 170.4 -79.8 100.7 -11.9 29.5 8.7 66 66 X G S S+ 0 0 40 -2,-1.1 -1,-0.2 -26,-0.4 -25,-0.1 0.280 73.4 48.8 -93.6 9.9 -10.2 29.1 12.1 67 67 X N S S- 0 0 46 -27,-0.2 146,-0.1 30,-0.0 -1,-0.1 0.792 89.2-137.0-110.6 -56.4 -11.4 25.5 12.4 68 68 X G S > S+ 0 0 0 144,-0.1 4,-2.6 -28,-0.1 5,-0.2 -0.053 76.2 101.7 117.6 -29.6 -10.6 23.7 9.1 69 69 X H H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.917 84.8 45.3 -55.1 -49.5 -13.9 21.8 8.7 70 70 X G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.877 112.8 51.7 -62.8 -38.8 -15.2 24.1 6.0 71 71 X T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 140,-0.3 0.888 109.7 49.9 -64.9 -39.1 -11.9 24.2 4.2 72 72 X H H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 139,-0.4 0.949 112.4 46.5 -64.4 -48.7 -11.9 20.3 4.2 73 73 X C H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.2 0.924 111.7 51.0 -59.3 -46.4 -15.4 20.1 2.8 74 74 X A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.876 106.8 55.9 -59.8 -37.7 -14.7 22.8 0.2 75 75 X G H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.876 105.8 49.8 -61.6 -39.4 -11.6 20.8 -0.8 76 76 X T H < S+ 0 0 0 -4,-1.7 8,-2.3 -3,-0.2 -1,-0.2 0.859 113.2 48.0 -70.6 -33.4 -13.7 17.7 -1.4 77 77 X V H < S- 0 0 0 -4,-1.9 8,-3.0 6,-0.2 -2,-0.2 0.962 138.0 -13.0 -65.1 -51.2 -16.1 19.7 -3.6 78 78 X G H < S+ 0 0 0 -4,-2.6 -3,-0.2 5,-0.2 -2,-0.2 0.313 81.2 131.2-149.7 12.7 -13.5 21.5 -5.7 79 79 X S X - 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -30,-0.2 -0.403 62.4-116.0 -70.0 155.9 -9.9 21.4 -4.9 80 80 X R T 4 S+ 0 0 109 -32,-2.5 -1,-0.1 1,-0.2 6,-0.1 0.892 109.4 21.8 -59.8 -42.3 -7.5 20.5 -7.7 81 81 X T T 4 S+ 0 0 48 -33,-0.1 -1,-0.2 1,-0.1 5,-0.1 0.857 135.0 31.7 -94.2 -39.8 -6.2 17.3 -6.0 82 82 X Y T 4 S+ 0 0 37 -76,-0.1 2,-0.2 -34,-0.1 -2,-0.2 0.432 98.6 101.1-104.0 1.4 -8.9 16.4 -3.5 83 83 X G < - 0 0 0 -4,-1.6 3,-0.3 1,-0.1 -6,-0.2 -0.597 58.1-150.4-100.8 151.4 -12.0 17.6 -5.3 84 84 X V S S+ 0 0 0 -8,-2.3 2,-0.7 1,-0.2 -6,-0.2 0.899 100.0 38.0 -72.9 -45.9 -14.8 16.1 -7.4 85 85 X A S > S- 0 0 0 -8,-3.0 3,-1.5 -9,-0.2 -1,-0.2 -0.821 72.9-177.2-114.4 87.8 -15.4 19.2 -9.5 86 86 X K T 3 S+ 0 0 7 -2,-0.7 -56,-0.2 -3,-0.3 -1,-0.1 0.489 77.9 41.8 -76.6 -3.4 -12.0 20.6 -10.1 87 87 X K T 3 S+ 0 0 62 -58,-2.9 -55,-0.5 2,-0.1 -1,-0.3 0.261 85.8 117.8-123.5 8.8 -13.0 23.7 -12.0 88 88 X T < - 0 0 0 -3,-1.5 2,-0.4 -59,-0.4 -54,-0.2 -0.282 67.2-113.5 -71.4 161.3 -16.1 24.8 -10.1 89 89 X Q E -c 34 0B 73 -56,-1.7 -54,-2.8 -59,-0.3 2,-0.5 -0.848 29.8-149.0 -93.3 134.9 -16.3 28.2 -8.3 90 90 X L E -cd 35 53B 0 -38,-2.9 -36,-1.7 -2,-0.4 2,-0.5 -0.916 11.4-169.7-112.7 128.9 -16.5 27.9 -4.5 91 91 X F E -cd 36 54B 8 -56,-2.5 -54,-2.7 -2,-0.5 2,-0.4 -0.970 12.4-147.3-120.7 120.9 -18.3 30.4 -2.3 92 92 X G E -cd 37 55B 0 -38,-2.8 -36,-2.8 -2,-0.5 -35,-1.4 -0.740 13.5-175.7 -93.2 131.2 -17.9 30.3 1.5 93 93 X V E -cd 38 57B 0 -56,-2.3 -54,-2.2 -2,-0.4 2,-1.3 -0.972 17.2-149.2-122.9 110.5 -20.7 31.2 3.9 94 94 X K E +cd 39 58B 4 -37,-2.9 -35,-1.4 -2,-0.5 -54,-0.2 -0.682 40.8 144.2 -89.6 93.2 -19.5 31.1 7.5 95 95 X V + 0 0 0 -56,-1.5 2,-0.4 -2,-1.3 -55,-0.2 0.519 60.7 69.4 -98.6 -12.3 -22.5 30.1 9.6 96 96 X L S S- 0 0 11 -57,-2.3 6,-0.2 -3,-0.2 -57,-0.1 -0.895 79.7-130.1-109.7 139.3 -20.4 28.1 12.1 97 97 X D > - 0 0 50 4,-3.4 3,-2.1 -2,-0.4 -2,-0.1 -0.070 42.2 -85.3 -74.4-178.1 -17.9 29.6 14.5 98 98 X D T 3 S+ 0 0 68 1,-0.3 -1,-0.1 2,-0.1 -58,-0.1 0.588 130.1 57.8 -73.3 -6.7 -14.3 28.4 14.8 99 99 X N T 3 S- 0 0 140 2,-0.2 -1,-0.3 -32,-0.0 3,-0.1 0.404 120.8-109.0 -93.9 -0.5 -15.5 25.7 17.3 100 100 X G S < S+ 0 0 33 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.601 79.1 126.3 84.4 13.6 -17.8 24.4 14.6 101 101 X S + 0 0 68 -61,-0.0 -4,-3.4 2,-0.0 -1,-0.3 -0.717 30.1 170.1-104.6 153.9 -20.9 25.6 16.4 102 102 X G - 0 0 27 -2,-0.3 2,-0.1 -6,-0.2 -6,-0.1 -0.927 33.6-115.9-162.3 137.2 -23.7 27.8 15.1 103 103 X Q >> - 0 0 127 -2,-0.3 4,-2.1 -8,-0.2 3,-0.8 -0.472 30.7-121.8 -69.4 144.4 -27.2 28.9 16.3 104 104 X Y H 3> S+ 0 0 69 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.848 112.2 60.2 -56.3 -35.3 -30.0 27.7 14.1 105 105 X S H 3> S+ 0 0 94 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.875 107.3 45.3 -61.9 -37.4 -31.1 31.3 13.5 106 106 X T H <> S+ 0 0 22 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.901 112.1 51.1 -71.4 -41.4 -27.6 32.0 12.0 107 107 X I H X S+ 0 0 6 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.921 110.7 49.3 -60.9 -43.8 -27.7 28.8 9.9 108 108 X I H X S+ 0 0 33 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.923 109.2 51.9 -61.6 -45.4 -31.2 29.8 8.6 109 109 X A H X S+ 0 0 39 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.896 107.9 53.3 -57.8 -40.8 -30.0 33.3 7.7 110 110 X G H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.883 108.1 49.3 -61.9 -40.8 -27.1 31.7 5.8 111 111 X M H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.936 112.2 46.6 -65.4 -45.9 -29.4 29.5 3.7 112 112 X D H X S+ 0 0 61 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.864 108.9 58.1 -65.7 -32.2 -31.7 32.5 2.8 113 113 X F H X S+ 0 0 45 -4,-2.2 4,-3.6 -5,-0.2 3,-0.4 0.940 105.9 48.0 -58.4 -49.0 -28.5 34.4 2.0 114 114 X V H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.902 104.8 59.1 -61.9 -40.3 -27.5 31.8 -0.6 115 115 X A H < S+ 0 0 16 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.860 118.7 31.2 -58.0 -35.5 -30.9 31.8 -2.2 116 116 X S H >< S+ 0 0 74 -4,-1.4 3,-2.0 -3,-0.4 -2,-0.2 0.877 113.3 61.1 -84.7 -43.7 -30.5 35.5 -2.9 117 117 X D H >< S+ 0 0 8 -4,-3.6 3,-2.7 1,-0.3 -2,-0.2 0.764 87.5 71.7 -61.0 -29.0 -26.8 35.7 -3.3 118 118 X K G >< S+ 0 0 31 -4,-2.0 3,-1.5 1,-0.3 -1,-0.3 0.806 89.2 64.5 -59.7 -24.5 -26.7 33.3 -6.3 119 119 X N G < S+ 0 0 122 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.566 100.2 52.4 -73.5 -7.1 -28.3 36.2 -8.2 120 120 X N G < S+ 0 0 118 -3,-2.7 2,-0.3 -4,-0.2 -1,-0.3 0.228 103.6 72.9-106.2 8.4 -25.1 38.1 -7.7 121 121 X R S < S- 0 0 67 -3,-1.5 2,-0.8 -4,-0.1 -87,-0.1 -0.849 80.2-118.9-124.8 159.0 -22.9 35.4 -9.0 122 122 X N + 0 0 145 -2,-0.3 -90,-0.1 1,-0.1 3,-0.1 -0.861 49.0 144.0-101.1 104.2 -22.1 33.9 -12.5 123 123 X a > + 0 0 20 -2,-0.8 3,-1.5 -5,-0.2 -89,-0.2 -0.534 10.5 165.9-138.7 63.2 -23.1 30.3 -12.5 124 124 X P T 3 S+ 0 0 102 0, 0.0 -91,-0.2 0, 0.0 3,-0.1 0.766 79.2 48.3 -59.4 -26.2 -24.4 29.6 -16.0 125 125 X K T 3 S- 0 0 105 -93,-2.7 -92,-0.2 1,-0.3 2,-0.2 0.601 123.0 -81.9 -90.1 -11.9 -24.3 25.8 -15.5 126 126 X G E < -b 33 0B 18 -3,-1.5 -92,-1.8 -94,-0.6 2,-0.4 -0.582 35.7 -94.0 130.8 167.9 -26.0 25.9 -12.1 127 127 X V E -b 34 0B 12 25,-0.5 27,-2.6 -94,-0.2 2,-0.3 -0.957 27.9-176.7-127.4 134.6 -25.8 26.4 -8.4 128 128 X V E -be 35 154B 0 -94,-2.4 -92,-2.9 -2,-0.4 2,-0.4 -0.920 10.0-155.9-125.3 150.6 -25.2 23.8 -5.6 129 129 X A E -be 36 155B 0 25,-2.9 27,-2.8 -2,-0.3 2,-0.5 -1.000 5.1-156.7-129.3 134.9 -25.1 24.3 -1.8 130 130 X S E -be 37 156B 0 -94,-3.1 -92,-2.2 -2,-0.4 2,-0.6 -0.949 7.7-173.5-114.5 119.2 -23.2 21.9 0.6 131 131 X L E + e 0 157B 0 25,-2.8 27,-2.2 -2,-0.5 2,-1.4 -0.831 9.0 175.0-118.7 88.7 -24.4 21.8 4.2 132 132 X S + 0 0 2 -2,-0.6 2,-0.3 -94,-0.5 92,-0.1 -0.514 57.0 79.1 -90.9 65.0 -22.1 19.6 6.3 133 133 X L + 0 0 19 -2,-1.4 25,-0.3 25,-0.1 2,-0.3 -0.950 46.8 151.7-159.1 169.4 -23.9 20.4 9.5 134 134 X G - 0 0 55 -2,-0.3 2,-0.2 37,-0.1 3,-0.1 -0.931 12.7-174.0 170.7 168.8 -27.0 19.6 11.5 135 135 X G E -K 170 0C 22 35,-2.2 35,-2.3 -2,-0.3 37,-0.2 -0.790 51.1 -31.8-155.9-159.5 -28.8 19.3 14.8 136 136 X G E S-K 169 0C 42 33,-0.2 33,-0.3 -2,-0.2 -1,-0.2 -0.163 85.5 -64.9 -65.7 162.6 -32.1 18.1 16.3 137 137 X Y + 0 0 136 31,-1.5 2,-0.3 32,-0.2 -1,-0.2 -0.205 58.9 169.6 -52.7 131.0 -35.3 18.3 14.4 138 138 X S > - 0 0 24 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.937 29.7-156.2-145.4 119.9 -36.4 21.9 13.6 139 139 X S H > S+ 0 0 77 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.842 99.1 54.4 -62.8 -32.6 -39.3 22.7 11.2 140 140 X S H > S+ 0 0 65 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.891 108.8 46.5 -68.6 -41.2 -37.7 26.2 10.7 141 141 X V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.930 113.9 48.7 -65.2 -45.1 -34.3 24.7 9.7 142 142 X N H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.916 110.1 51.8 -59.7 -42.9 -36.0 22.3 7.4 143 143 X S H X S+ 0 0 47 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.864 107.3 52.6 -65.0 -35.8 -38.1 25.0 5.8 144 144 X A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.915 110.1 47.9 -63.6 -43.4 -35.0 27.1 5.2 145 145 X A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.905 111.1 51.8 -63.4 -40.8 -33.4 24.2 3.4 146 146 X A H X S+ 0 0 25 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.889 109.1 50.0 -61.8 -40.8 -36.6 23.7 1.4 147 147 X R H X S+ 0 0 93 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.921 109.0 51.7 -63.4 -44.2 -36.6 27.4 0.4 148 148 X L H <>S+ 0 0 0 -4,-2.3 5,-1.0 2,-0.2 4,-0.3 0.939 113.4 44.6 -59.0 -46.4 -33.0 27.2 -0.7 149 149 X Q H >X5S+ 0 0 27 -4,-2.4 3,-2.0 1,-0.2 4,-0.6 0.944 111.7 52.4 -60.4 -49.7 -33.8 24.2 -2.9 150 150 X S H 3<5S+ 0 0 97 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.823 99.4 65.2 -57.4 -32.5 -37.0 25.7 -4.3 151 151 X S T 3<5S- 0 0 43 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.571 129.8 -88.1 -69.8 -10.1 -35.0 28.9 -5.3 152 152 X G T <45S+ 0 0 37 -3,-2.0 -25,-0.5 1,-0.3 2,-0.4 0.706 87.2 125.7 108.0 29.0 -33.0 26.8 -7.8 153 153 X V << - 0 0 0 -5,-1.0 2,-0.9 -4,-0.6 -1,-0.3 -0.963 60.8-127.4-118.0 132.3 -30.1 25.5 -5.8 154 154 X M E -e 128 0B 2 -27,-2.6 -25,-2.9 -2,-0.4 2,-0.6 -0.716 32.7-157.1 -75.4 109.4 -29.2 21.8 -5.5 155 155 X V E -e 129 0B 0 -2,-0.9 23,-3.0 -27,-0.2 2,-0.5 -0.832 14.3-176.4 -98.8 120.6 -29.0 21.4 -1.7 156 156 X A E -ef 130 178B 0 -27,-2.8 -25,-2.8 -2,-0.6 2,-0.3 -0.967 9.3-177.2-112.9 128.6 -27.0 18.5 -0.3 157 157 X V E -ef 131 179B 0 21,-2.8 23,-2.9 -2,-0.5 -25,-0.2 -0.948 29.3-105.7-129.3 147.8 -27.0 18.0 3.4 158 158 X A E - f 0 180B 6 -27,-2.2 14,-0.2 -2,-0.3 23,-0.2 -0.442 17.6-142.5 -69.4 139.5 -25.3 15.6 5.8 159 159 X A - 0 0 0 21,-2.5 22,-0.1 1,-0.2 -1,-0.1 0.808 51.8-109.3 -69.4 -30.1 -27.4 12.8 7.2 160 160 X G - 0 0 16 20,-0.4 34,-2.5 34,-0.1 3,-0.3 -0.256 12.0-103.9 111.4 159.6 -25.7 13.1 10.6 161 161 X N S S+ 0 0 74 32,-0.2 32,-0.2 1,-0.2 -1,-0.1 -0.203 83.2 102.4-115.4 39.9 -23.2 11.0 12.6 162 162 X N S S- 0 0 80 2,-0.2 31,-0.2 -3,-0.1 -1,-0.2 0.356 83.5-124.1-104.6 2.4 -25.4 9.5 15.3 163 163 X N S S+ 0 0 77 29,-2.3 2,-0.3 -3,-0.3 31,-0.2 0.924 79.7 108.7 47.5 47.0 -25.8 5.9 13.9 164 164 X A S S- 0 0 27 28,-0.3 31,-2.1 -4,-0.1 2,-0.4 -0.846 83.5 -66.9-142.4 173.3 -29.5 6.7 14.1 165 165 X D B > -l 195 0D 43 -2,-0.3 3,-1.4 29,-0.2 31,-0.2 -0.556 38.5-144.4 -71.3 123.2 -32.5 7.4 12.0 166 166 X A G > S+ 0 0 0 29,-3.2 3,-1.9 -2,-0.4 -1,-0.1 0.528 83.9 91.7 -67.6 -6.9 -32.1 10.8 10.4 167 167 X R G 3 S+ 0 0 154 28,-0.3 -1,-0.3 1,-0.3 6,-0.1 0.754 84.1 56.0 -57.7 -22.9 -35.8 11.6 10.7 168 168 X N G < S+ 0 0 106 -3,-1.4 -31,-1.5 -31,-0.1 2,-0.3 0.226 99.9 72.7 -96.5 14.2 -34.9 13.2 14.1 169 169 X Y E <> S-K 136 0C 61 -3,-1.9 4,-2.0 -33,-0.3 -33,-0.2 -0.925 76.2-102.7-132.5 153.3 -32.3 15.7 12.7 170 170 X S E 4 S+K 135 0C 1 -35,-2.3 -35,-2.2 -2,-0.3 -31,-0.1 -0.981 93.4 3.5-132.0 143.9 -32.4 18.9 10.6 171 171 X P T >4 S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.978 122.1 71.4 -78.4 7.8 -31.9 19.7 7.8 172 172 X A T 34 S+ 0 0 2 1,-0.3 -2,-0.2 -14,-0.2 -15,-0.1 0.833 96.1 54.0 -49.9 -38.4 -31.3 16.0 7.2 173 173 X S T 3< S+ 0 0 11 -4,-2.0 -1,-0.3 -7,-0.1 -3,-0.1 0.480 76.5 113.7 -83.3 -2.3 -35.0 15.2 7.6 174 174 X E X - 0 0 27 -3,-2.1 3,-0.9 1,-0.2 5,-0.1 -0.585 58.5-151.4 -70.2 118.9 -36.2 17.8 5.0 175 175 X P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.824 86.3 58.3 -60.6 -33.3 -37.7 15.7 2.2 176 176 X S T 3 S+ 0 0 60 2,-0.1 -21,-0.2 -3,-0.0 2,-0.2 0.566 96.5 68.7 -83.9 -8.4 -37.0 18.1 -0.7 177 177 X V S < S- 0 0 3 -3,-0.9 2,-0.8 -6,-0.2 -21,-0.2 -0.549 93.7 -97.2-101.4 172.2 -33.2 18.3 -0.3 178 178 X b E -f 156 0B 0 -23,-3.0 -21,-2.8 -2,-0.2 2,-0.5 -0.809 36.2-158.0 -96.3 108.5 -30.6 15.6 -0.9 179 179 X T E -f 157 0B 0 -2,-0.8 21,-2.7 19,-0.4 22,-1.5 -0.777 10.1-154.4 -95.2 124.6 -29.7 13.9 2.3 180 180 X V E -fg 158 201B 0 -23,-2.9 -21,-2.5 -2,-0.5 -20,-0.4 -0.866 10.1-167.2-114.2 119.4 -26.3 12.1 2.2 181 181 X G E - g 0 202B 0 20,-2.7 22,-2.4 -2,-0.5 2,-0.4 -0.454 25.1-112.9 -90.2 171.7 -25.1 9.2 4.3 182 182 X A E - g 0 203B 0 12,-0.3 8,-2.7 20,-0.2 2,-0.3 -0.870 26.1-174.3-115.0 142.8 -21.5 8.0 4.6 183 183 X S E -Hg 189 204B 0 20,-2.0 22,-3.0 -2,-0.4 23,-1.6 -0.834 17.5-128.2-123.5 164.2 -19.7 4.9 3.4 184 184 X D > - 0 0 18 4,-2.5 3,-2.1 -2,-0.3 23,-0.1 -0.552 36.9 -92.9-107.5 176.7 -16.2 3.5 3.8 185 185 X R T 3 S+ 0 0 118 1,-0.3 22,-0.0 21,-0.2 -1,-0.0 0.603 124.3 55.7 -69.4 -10.5 -13.6 2.2 1.3 186 186 X Y T 3 S- 0 0 159 2,-0.1 -1,-0.3 -167,-0.1 3,-0.1 0.135 121.2-105.9-104.0 17.5 -14.8 -1.3 1.7 187 187 X D S < S+ 0 0 11 -3,-2.1 75,-2.4 1,-0.3 2,-0.4 0.768 75.5 138.3 63.1 29.9 -18.4 -0.3 0.8 188 188 X R B -m 262 0E 118 73,-0.2 -4,-2.5 -4,-0.1 -1,-0.3 -0.802 66.2-101.3 -95.2 145.0 -19.7 -0.6 4.3 189 189 X R B -H 183 0B 19 73,-2.4 -6,-0.3 -2,-0.4 -1,-0.0 -0.484 52.5-100.9 -55.1 130.8 -22.0 2.0 5.7 190 190 X S > - 0 0 0 -8,-2.7 3,-1.7 -2,-0.2 -8,-0.2 -0.344 30.5-120.4 -57.9 141.0 -19.8 4.2 7.9 191 191 X S T 3 S+ 0 0 98 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.766 111.0 42.4 -62.5 -26.1 -20.2 3.1 11.5 192 192 X F T 3 S+ 0 0 43 -30,-0.1 -29,-2.3 -29,-0.1 -1,-0.3 0.479 87.5 122.6 -92.6 -8.1 -21.4 6.6 12.6 193 193 X S < - 0 0 0 -3,-1.7 -32,-0.2 -31,-0.2 -12,-0.1 -0.361 58.3-131.9 -68.5 130.8 -23.6 7.2 9.6 194 194 X N - 0 0 0 -34,-2.5 -12,-0.3 -31,-0.2 2,-0.2 -0.256 29.6-177.5 -64.1 166.2 -27.3 8.0 10.1 195 195 X Y B +l 165 0D 61 -31,-2.1 -29,-3.2 -36,-0.1 -28,-0.3 -0.726 19.1 111.7-148.5-168.7 -29.8 6.1 8.0 196 196 X G S > S- 0 0 2 -31,-0.2 3,-1.5 -2,-0.2 73,-0.4 -0.479 77.6 -56.4 117.7 173.2 -33.5 5.9 7.4 197 197 X S T 3 S+ 0 0 92 1,-0.3 -1,-0.1 -2,-0.2 72,-0.1 0.746 122.9 66.0 -60.8 -27.5 -36.2 6.7 4.8 198 198 X V T 3 S+ 0 0 29 -3,-0.2 -19,-0.4 -39,-0.0 -1,-0.3 0.675 78.6 101.6 -73.3 -17.1 -35.1 10.4 4.5 199 199 X L < - 0 0 4 -3,-1.5 70,-0.3 1,-0.1 -19,-0.2 -0.451 45.3-179.0 -66.8 141.0 -31.7 9.4 3.1 200 200 X D - 0 0 47 -21,-2.7 2,-0.3 1,-0.4 -20,-0.2 0.661 61.8 -7.8-107.4 -26.1 -31.4 9.9 -0.7 201 201 X I E -g 180 0B 1 -22,-1.5 -20,-2.7 68,-0.1 -1,-0.4 -0.982 56.3-126.8-167.6 155.8 -27.8 8.7 -1.3 202 202 X F E +gi 181 272B 0 69,-1.8 71,-2.8 -2,-0.3 -20,-0.2 -0.915 24.2 179.5-113.0 149.8 -24.5 7.6 0.2 203 203 X G E -g 182 0B 0 -22,-2.4 -20,-2.0 -2,-0.3 23,-0.2 -0.927 45.0 -69.3-139.1 165.0 -21.1 9.1 -0.5 204 204 X P E +g 183 0B 0 0, 0.0 25,-0.2 0, 0.0 -20,-0.2 -0.358 59.9 151.5 -56.5 125.4 -17.5 8.4 0.7 205 205 X G + 0 0 0 -22,-3.0 17,-2.7 -2,-0.1 2,-0.5 0.515 38.4 85.8-136.7 -11.2 -17.3 9.5 4.3 206 206 X T S S- 0 0 32 -23,-1.6 -21,-0.2 1,-0.2 15,-0.2 -0.872 103.9 -6.7-103.8 125.9 -14.7 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 0.973 80.8 178.8 59.7 63.1 -11.0 8.5 6.1 208 208 X I E -N 220 0F 4 12,-2.8 12,-1.8 -3,-0.3 2,-0.4 -0.865 19.0-146.6-103.7 115.7 -11.3 11.3 3.5 209 209 X L E +N 219 0F 66 -2,-0.6 2,-0.3 10,-0.2 10,-0.2 -0.647 38.8 132.7 -80.0 130.4 -8.2 13.3 2.6 210 210 X S E -N 218 0F 0 8,-2.1 8,-2.3 -2,-0.4 -138,-0.1 -0.918 53.6 -53.0-159.2-175.9 -8.7 16.9 1.8 211 211 X T E -N 217 0F 0 -139,-0.4 2,-0.3 -140,-0.3 6,-0.3 -0.244 45.9-173.1 -65.2 153.6 -7.5 20.5 2.4 212 212 X W E > -N 216 0F 26 4,-2.3 4,-1.0 -141,-0.1 3,-0.4 -0.924 33.3 -78.9-141.6 167.3 -7.0 22.0 5.8 213 213 X I T 4 S+ 0 0 38 -2,-0.3 3,-0.5 1,-0.2 -147,-0.1 -0.176 108.4 44.9 -67.7 162.7 -6.2 25.4 7.2 214 214 X G T 4 S- 0 0 71 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.754 133.0 -71.6 69.7 25.8 -2.7 26.7 7.2 215 215 X G T 4 S+ 0 0 40 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.789 105.4 122.3 64.4 30.5 -2.3 25.4 3.7 216 216 X S E < -N 212 0F 42 -4,-1.0 -4,-2.3 -3,-0.5 2,-0.3 -0.281 52.2-132.9-111.6-169.8 -2.2 21.8 4.9 217 217 X T E +N 211 0F 59 -6,-0.3 2,-0.3 -2,-0.1 -6,-0.2 -0.977 22.0 168.0-143.6 156.9 -4.1 18.6 4.3 218 218 X R E -N 210 0F 125 -8,-2.3 -8,-2.1 -2,-0.3 2,-0.5 -0.981 31.9-115.7-162.8 162.0 -5.6 15.9 6.5 219 219 X S E +N 209 0F 63 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.909 40.2 159.0-104.2 125.0 -7.9 12.9 6.6 220 220 X I E -N 208 0F 46 -12,-1.8 -12,-2.8 -2,-0.5 2,-0.3 -0.876 26.2-130.4-136.7 171.9 -11.1 13.0 8.7 221 221 X S + 0 0 58 -2,-0.3 -15,-0.2 -14,-0.2 2,-0.2 -0.922 40.9 97.6-128.1 150.0 -14.4 11.2 8.7 222 222 X G S >> S- 0 0 1 -17,-2.7 3,-1.6 -2,-0.3 4,-1.1 -0.785 77.3 -88.1 157.3 163.8 -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 0.726 122.3 72.6 -63.9 -19.4 -21.3 12.5 6.8 224 224 X S H 34 S+ 0 0 13 1,-0.2 -1,-0.3 2,-0.2 -92,-0.1 0.731 98.8 44.4 -58.4 -28.5 -19.8 16.0 6.6 225 225 X M H <> S+ 0 0 2 -3,-1.6 4,-0.6 -20,-0.2 -1,-0.2 0.736 110.5 53.1 -90.5 -29.6 -17.2 14.5 4.2 226 226 X A H >X S+ 0 0 0 -4,-1.1 4,-1.6 -23,-0.2 3,-0.7 0.893 100.6 63.1 -70.5 -41.3 -19.8 12.5 2.2 227 227 X T H 3X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.3 3,-0.3 0.900 99.9 49.6 -53.9 -52.1 -22.0 15.5 1.5 228 228 X P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.760 103.8 60.6 -64.7 -23.4 -19.4 17.5 -0.5 229 229 X H H < S+ 0 0 6 -4,-2.5 3,-1.4 -5,-0.2 -2,-0.2 0.923 106.3 48.7 -66.0 -43.3 -24.8 20.2 -14.2 239 239 X T H 3< S+ 0 0 15 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.867 109.7 52.7 -68.1 -27.2 -22.0 21.5 -16.3 240 240 X L T 3< S- 0 0 56 -4,-1.5 2,-1.2 1,-0.2 -1,-0.3 0.586 113.3-127.2 -71.2 -7.8 -22.2 18.4 -18.4 241 241 X G S < S+ 0 0 39 -3,-1.4 2,-5.7 -4,-0.3 -1,-0.2 -0.778 72.8 127.3 93.1 -82.5 -25.9 19.2 -18.7 242 242 X K S S- 0 0 136 -2,-1.2 2,-0.3 -3,-0.1 -4,-0.2 0.138 78.4 -2.8 23.5 -42.0 -27.1 15.8 -17.6 243 243 X T - 0 0 14 -2,-5.7 2,-0.3 -6,-0.7 -2,-0.2 -0.893 63.8-126.7-157.0-179.5 -29.3 17.4 -14.9 244 244 X T >> - 0 0 78 -2,-0.3 4,-1.8 1,-0.0 3,-0.7 -0.808 40.2 -94.2-133.1 172.6 -30.5 20.5 -13.2 245 245 X A T 34 S+ 0 0 14 -2,-0.3 4,-0.4 1,-0.2 -90,-0.2 0.892 124.2 48.4 -58.9 -39.9 -30.7 21.8 -9.6 246 246 X A T 34 S+ 0 0 86 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.730 123.4 31.8 -73.2 -21.2 -34.3 20.6 -9.2 247 247 X S T <> S+ 0 0 42 -3,-0.7 4,-2.6 2,-0.1 -2,-0.2 0.476 89.5 96.0-114.7 -5.1 -33.6 17.2 -10.6 248 248 X A H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.849 83.3 51.2 -64.2 -39.4 -30.0 16.4 -9.6 249 249 X b H > S+ 0 0 27 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.954 114.4 44.8 -62.8 -47.2 -30.8 14.4 -6.4 250 250 X R H > S+ 0 0 184 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.896 114.1 50.2 -58.7 -43.7 -33.1 12.2 -8.4 251 251 X Y H X S+ 0 0 54 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.926 110.1 49.0 -63.4 -45.9 -30.6 11.9 -11.2 252 252 X I H X S+ 0 0 0 -4,-3.0 4,-0.6 1,-0.2 22,-0.3 0.922 113.9 46.8 -59.6 -43.8 -27.8 11.0 -8.8 253 253 X A H >< S+ 0 0 22 -4,-2.5 3,-0.8 -5,-0.2 -2,-0.2 0.918 111.1 52.3 -62.9 -43.5 -30.1 8.3 -7.2 254 254 X D H 3< S+ 0 0 111 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.835 117.9 37.0 -58.6 -36.5 -31.1 7.0 -10.7 255 255 X T H 3< S+ 0 0 28 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.347 93.3 119.5-103.5 4.8 -27.5 6.6 -11.8 256 256 X A S << S- 0 0 4 -3,-0.8 2,-0.4 -4,-0.6 17,-0.2 -0.174 77.4 -95.3 -67.9 158.8 -26.0 5.4 -8.5 257 257 X N E -J 272 0B 16 15,-2.6 15,-2.5 -242,-0.1 2,-0.4 -0.681 53.0-144.0 -67.9 127.7 -24.3 2.2 -7.9 258 258 X K E -J 271 0B 117 -2,-0.4 13,-0.2 13,-0.2 11,-0.0 -0.842 59.8 -4.5-111.1 133.6 -27.1 0.0 -6.5 259 259 X G S S+ 0 0 52 11,-2.6 -1,-0.2 -2,-0.4 12,-0.1 0.685 91.5 115.0 70.3 21.9 -27.1 -2.6 -3.8 260 260 X D + 0 0 74 10,-0.2 2,-0.3 -3,-0.2 -2,-0.1 0.582 49.1 89.7-101.1 -11.4 -23.4 -2.6 -3.2 261 261 X L - 0 0 10 -4,-0.1 3,-0.4 -73,-0.1 -73,-0.2 -0.633 65.1-139.1 -90.7 145.0 -23.2 -1.3 0.3 262 262 X S B S+m 188 0E 55 -75,-2.4 -73,-2.4 -2,-0.3 -2,-0.1 -0.654 77.2 25.6 -99.4 159.3 -23.2 -3.5 3.4 263 263 X N S S+ 0 0 112 -2,-0.2 -1,-0.2 1,-0.2 -75,-0.1 0.825 73.1 153.6 55.8 37.8 -25.0 -2.9 6.7 264 264 X I - 0 0 29 -3,-0.4 -1,-0.2 4,-0.1 3,-0.1 -0.876 46.8-121.4 -89.9 116.6 -27.7 -0.7 5.2 265 265 X P > - 0 0 36 0, 0.0 3,-2.2 0, 0.0 -69,-0.2 -0.270 35.4 -87.4 -60.4 144.4 -30.7 -1.1 7.5 266 266 X F T 3 S+ 0 0 222 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.274 117.7 29.1 -47.5 126.6 -33.9 -2.4 6.0 267 267 X G T 3 S+ 0 0 60 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.330 95.3 105.9 99.9 -7.6 -35.8 0.6 4.6 268 268 X T S < S- 0 0 16 -3,-2.2 -1,-0.3 -70,-0.1 -71,-0.1 -0.855 79.6-101.2-103.5 140.1 -32.8 2.8 3.8 269 269 X V - 0 0 51 -73,-0.4 2,-0.7 -2,-0.4 -73,-0.1 -0.297 20.4-147.9 -59.4 140.8 -31.7 3.3 0.2 270 270 X N + 0 0 43 -6,-0.1 -11,-2.6 2,-0.0 2,-0.4 -0.743 51.5 131.7-107.9 78.9 -28.7 1.2 -0.9 271 271 X L E - J 0 258B 27 -2,-0.7 -69,-1.8 -13,-0.2 2,-0.5 -0.998 38.7-163.4-139.1 127.7 -27.3 3.8 -3.4 272 272 X L E -iJ 202 257B 1 -15,-2.5 -15,-2.6 -2,-0.4 -69,-0.2 -0.963 34.4-104.2-119.6 125.4 -23.7 5.0 -3.8 273 273 X A + 0 0 0 -71,-2.8 2,-0.3 -2,-0.5 -20,-0.1 -0.154 46.1 174.9 -51.1 134.7 -23.0 8.2 -5.7 274 274 X Y - 0 0 34 -22,-0.3 -260,-0.2 -260,-0.1 -261,-0.1 -0.995 32.2-150.3-150.4 130.5 -21.5 7.4 -9.1 275 275 X N - 0 0 7 -262,-3.1 -261,-0.1 -2,-0.3 3,-0.1 0.582 26.5-143.0 -81.7 -8.8 -20.5 9.7 -12.0 276 276 X N + 0 0 74 -263,-0.3 2,-0.5 1,-0.2 -262,-0.1 0.818 38.3 167.0 49.8 34.1 -21.2 7.2 -14.7 277 277 X Y - 0 0 41 -253,-0.2 2,-0.7 2,-0.0 -1,-0.2 -0.694 24.2-161.2 -82.6 124.7 -18.2 8.6 -16.6 278 278 X Q 0 0 64 -2,-0.5 -253,-0.0 -3,-0.1 -1,-0.0 -0.915 360.0 360.0-105.3 106.8 -17.0 6.3 -19.5 279 279 X A 0 0 130 -2,-0.7 -2,-0.0 -253,-0.0 -253,-0.0 -0.401 360.0 360.0 -61.5 360.0 -13.5 7.4 -20.3