==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-SEP-02 1MRU . COMPND 2 MOLECULE: PROBABLE SERINE/THREONINE-PROTEIN KINASE PKNB; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR T.A.YOUNG,B.DELAGOUTTE,J.A.ENDRIZZI,T.ALBER,TB STRUCTURAL . 540 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 33 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 2 1 1 1 1 0 3 0 1 3 0 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 4 1 1 2 1 3 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 . 1 0 0 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 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 3 A T 0 0 87 0, 0.0 2,-0.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 82.7 -12.0 29.9 20.5 2 4 A P - 0 0 46 0, 0.0 2,-5.6 0, 0.0 3,-0.2 -0.284 360.0-134.1 -51.4 105.5 -12.2 31.5 24.0 3 5 A S S S+ 0 0 86 -2,-0.3 7,-0.0 1,-0.2 0, 0.0 -0.088 100.9 51.1 -61.9 51.8 -9.8 34.4 23.9 4 6 A H S > S- 0 0 78 -2,-5.6 3,-1.8 6,-0.2 -1,-0.2 -0.062 81.5-156.4 174.5 65.9 -8.7 33.1 27.3 5 7 A L B >> S-A 9 0A 2 4,-1.3 3,-2.7 1,-0.3 4,-2.1 -0.287 80.4 -9.5 -56.7 132.4 -7.9 29.3 27.3 6 8 A S T 34 S- 0 0 62 1,-0.3 -1,-0.3 2,-0.2 72,-0.0 0.681 116.3 -82.1 48.0 20.4 -8.2 27.6 30.7 7 9 A D T <4 S+ 0 0 134 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.636 127.3 72.5 64.6 15.0 -8.5 31.1 32.0 8 10 A R T <4 S+ 0 0 18 -3,-2.7 21,-2.2 1,-0.2 2,-1.1 0.696 76.6 65.4-125.1 -41.9 -4.7 31.5 32.0 9 11 A Y E < S-AB 5 28A 1 -4,-2.1 -4,-1.3 19,-0.2 2,-0.5 -0.715 71.2-151.8 -93.7 91.6 -3.4 31.8 28.4 10 12 A E E - B 0 27A 83 17,-2.2 17,-2.0 -2,-1.1 -6,-0.2 -0.461 13.7-139.4 -66.6 114.0 -4.7 35.0 26.9 11 13 A L E + B 0 26A 13 -2,-0.5 15,-0.2 15,-0.2 2,-0.1 -0.408 32.9 157.0 -73.2 147.5 -5.0 34.7 23.2 12 14 A G E + 0 0 49 13,-1.8 14,-0.1 1,-0.6 -1,-0.1 -0.140 47.2 9.2-135.9-125.4 -4.0 37.6 20.9 13 15 A E E S- 0 0 143 11,-0.1 12,-1.3 -2,-0.1 -1,-0.6 0.166 70.9-114.0 -54.1 178.8 -2.9 37.7 17.3 14 16 A I E - B 0 24A 80 10,-0.2 10,-0.2 1,-0.1 3,-0.1 -0.982 25.3-176.4-122.8 115.4 -3.1 34.8 14.9 15 17 A L E - 0 0 74 8,-1.7 2,-0.2 -2,-0.5 9,-0.2 0.692 67.7 -32.5 -84.9 -20.3 0.2 33.5 13.8 16 18 A G E - B 0 23A 28 7,-1.6 7,-3.1 2,-0.0 2,-0.4 -0.814 42.4-149.4 168.5 150.2 -1.3 31.0 11.5 17 19 A F E + B 0 22A 154 5,-0.3 5,-0.3 -2,-0.2 -3,-0.0 -0.938 24.6 175.2-137.7 111.8 -4.2 28.6 10.8 18 20 A G - 0 0 54 3,-2.5 -2,-0.0 -2,-0.4 -1,-0.0 0.410 52.8 -76.0 -88.6-135.7 -3.6 25.5 8.8 19 21 A G S S+ 0 0 63 22,-0.0 3,-0.1 3,-0.0 -1,-0.0 0.117 128.5 26.4-114.2 14.9 -5.8 22.5 7.8 20 22 A M S S+ 0 0 45 1,-0.5 21,-2.8 19,-0.1 2,-0.3 0.465 123.5 12.3-141.4 -47.0 -5.6 21.1 11.4 21 23 A S E - C 0 40A 12 19,-0.2 -3,-2.5 20,-0.1 -1,-0.5 -0.825 53.5-132.7-136.4 176.1 -4.9 23.8 13.9 22 24 A E E -BC 17 39A 49 17,-1.6 17,-1.7 -2,-0.3 2,-0.5 -0.987 22.4-151.1-131.4 115.0 -4.8 27.6 14.5 23 25 A V E -BC 16 38A 36 -7,-3.1 -8,-1.7 -2,-0.4 -7,-1.6 -0.782 16.7-170.0 -92.0 129.3 -1.7 28.9 16.2 24 26 A H E -BC 14 37A 13 13,-3.1 13,-2.5 -2,-0.5 2,-0.6 -0.896 26.5-122.4-121.0 149.8 -2.2 32.0 18.3 25 27 A L E + C 0 36A 33 -12,-1.3 -13,-1.8 -2,-0.3 11,-0.2 -0.801 47.0 179.5 -86.9 122.4 0.2 34.4 20.0 26 28 A A E -BC 11 35A 3 9,-3.8 9,-2.2 -2,-0.6 2,-0.5 -0.688 29.9-123.2-123.8 177.9 -0.8 34.4 23.7 27 29 A R E -BC 10 34A 82 -17,-2.0 -17,-2.2 7,-0.2 2,-0.9 -0.980 16.4-140.7-125.1 119.1 -0.0 35.8 27.1 28 30 A D E >> -BC 9 33A 0 5,-3.4 4,-1.0 -2,-0.5 5,-0.9 -0.719 16.2-162.7 -79.4 109.6 0.8 33.6 30.1 29 31 A L T 45S+ 0 0 63 -21,-2.2 -1,-0.2 -2,-0.9 -20,-0.1 0.729 84.5 45.7 -67.8 -23.5 -1.0 35.5 32.8 30 32 A R T 45S+ 0 0 92 -22,-0.2 -1,-0.2 1,-0.1 302,-0.1 0.878 121.9 33.9 -85.2 -44.8 0.9 33.8 35.6 31 33 A L T 45S- 0 0 2 2,-0.2 -2,-0.2 304,-0.1 -1,-0.1 0.379 97.9-133.2 -94.7 6.9 4.4 34.0 34.2 32 34 A H T <5 + 0 0 97 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.853 64.4 121.4 43.4 45.2 3.8 37.4 32.5 33 35 A R E < -C 28 0A 20 -5,-0.9 -5,-3.4 0, 0.0 2,-0.4 -0.953 66.6-108.0-134.8 155.5 5.4 36.1 29.3 34 36 A D E +C 27 0A 85 -2,-0.3 58,-0.5 -7,-0.2 2,-0.3 -0.662 40.5 177.2 -84.1 132.9 4.3 35.8 25.6 35 37 A V E -CD 26 91A 0 -9,-2.2 -9,-3.8 -2,-0.4 2,-0.6 -0.869 30.0-124.1-132.1 163.2 3.7 32.2 24.4 36 38 A A E -CD 25 90A 7 54,-2.0 54,-3.4 -2,-0.3 2,-0.4 -0.951 27.9-163.7-111.8 115.3 2.5 30.6 21.2 37 39 A V E -CD 24 89A 0 -13,-2.5 -13,-3.1 -2,-0.6 2,-0.5 -0.849 6.8-152.4-103.3 135.9 -0.5 28.3 21.7 38 40 A K E -CD 23 88A 16 50,-3.1 50,-2.0 -2,-0.4 2,-0.5 -0.914 11.9-161.2-106.1 126.2 -1.6 25.7 19.1 39 41 A V E -CD 22 87A 1 -17,-1.7 -17,-1.6 -2,-0.5 2,-0.4 -0.934 25.3-115.5-112.2 129.2 -5.3 24.8 19.2 40 42 A L E > -C 21 0A 0 46,-2.8 3,-0.8 -2,-0.5 -19,-0.2 -0.461 62.4 -78.4 -62.3 117.1 -6.7 21.7 17.6 41 43 A R T 3> S- 0 0 44 -21,-2.8 4,-1.2 -2,-0.4 3,-0.4 0.203 70.1 -83.5 -23.0 98.2 -8.9 23.0 14.8 42 44 A A T 34 S- 0 0 39 1,-0.3 2,-1.6 2,-0.2 -1,-0.2 0.327 83.2 -59.1 -14.2 79.3 -11.9 24.1 16.8 43 45 A D T X> S+ 0 0 30 -3,-0.8 3,-1.8 1,-0.2 4,-0.6 0.195 112.7 113.0 56.6 -19.9 -13.5 20.6 16.9 44 46 A L T 34 S+ 0 0 135 -2,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.664 102.9 11.9 -56.4 -11.2 -13.7 20.5 13.1 45 47 A A T 3< S+ 0 0 12 -4,-1.2 -1,-0.3 -25,-0.1 -2,-0.1 -0.189 106.8 96.1-158.8 48.2 -11.1 17.7 13.4 46 48 A R T <4 + 0 0 35 -3,-1.8 5,-0.2 -4,-0.1 -2,-0.1 0.532 68.7 66.3-118.3 -14.7 -11.2 16.9 17.2 47 49 A D S < S+ 0 0 128 -4,-0.6 -3,-0.1 3,-0.1 4,-0.1 0.936 91.9 68.2 -76.4 -44.0 -13.6 13.9 17.5 48 50 A P S > S- 0 0 73 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.181 113.3 -75.9 -64.2-173.9 -11.4 11.3 15.6 49 51 A S T 3> S+ 0 0 64 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.255 113.3 97.6 -68.3 14.1 -8.1 9.7 16.5 50 52 A F H 3> S+ 0 0 84 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.760 71.6 60.4 -74.1 -27.5 -6.9 13.2 15.5 51 53 A Y H <> S+ 0 0 83 -3,-1.9 4,-3.2 -5,-0.2 -1,-0.2 0.853 103.5 52.7 -68.0 -31.9 -6.8 14.2 19.1 52 54 A L H > S+ 0 0 46 -4,-0.3 4,-3.9 2,-0.2 5,-0.4 0.988 104.7 51.9 -64.1 -58.5 -4.3 11.4 19.6 53 55 A R H < S+ 0 0 101 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.823 115.3 45.6 -45.8 -34.3 -2.1 12.7 16.8 54 56 A F H >X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 3,-1.0 0.938 114.9 43.4 -76.4 -52.0 -2.3 16.1 18.7 55 57 A R H 3X S+ 0 0 93 -4,-3.2 4,-2.0 1,-0.3 -2,-0.2 0.915 116.8 48.6 -60.3 -42.7 -1.7 14.8 22.2 56 58 A R H 3< S+ 0 0 117 -4,-3.9 4,-0.3 1,-0.2 -1,-0.3 0.509 110.6 52.4 -75.7 -5.1 1.1 12.5 20.9 57 59 A E H <> S+ 0 0 7 -3,-1.0 4,-1.1 -5,-0.4 -1,-0.2 0.752 106.4 51.1 -96.3 -35.9 2.6 15.4 19.0 58 60 A A H >X S+ 0 0 2 -4,-2.1 4,-1.4 1,-0.2 3,-0.6 0.957 117.3 41.0 -64.5 -46.8 2.7 17.7 22.0 59 61 A Q H 3X S+ 0 0 44 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.736 108.7 59.5 -74.6 -21.0 4.5 14.9 23.9 60 62 A N H 34 S+ 0 0 25 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.741 114.7 36.2 -78.6 -20.5 6.7 13.9 21.0 61 63 A A H X< S+ 0 0 8 -4,-1.1 3,-0.9 -3,-0.6 11,-0.3 0.618 108.6 64.8-100.0 -20.9 8.2 17.4 21.0 62 64 A A H 3< S+ 0 0 4 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.2 0.679 92.7 65.8 -74.0 -17.9 8.0 17.8 24.8 63 65 A A T 3< S+ 0 0 55 -4,-0.6 2,-0.3 -5,-0.1 -1,-0.2 0.664 95.1 69.4 -77.4 -18.3 10.6 15.0 24.8 64 66 A L < - 0 0 6 -3,-0.9 8,-0.3 6,-0.1 2,-0.2 -0.724 56.0-176.5-102.7 151.8 13.2 17.2 23.2 65 67 A N + 0 0 66 -2,-0.3 5,-0.1 6,-0.1 3,-0.1 -0.749 31.3 123.8-149.9 97.3 14.9 20.2 24.6 66 68 A H B > -F 69 0B 29 3,-0.6 3,-2.5 -2,-0.2 -2,-0.0 -0.977 64.2-114.6-156.9 139.2 17.3 22.1 22.3 67 69 A P T 3 S+ 0 0 58 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.842 114.4 50.4 -42.4 -48.4 17.5 25.7 21.2 68 70 A A T 3 S+ 0 0 8 83,-0.1 84,-3.7 51,-0.1 2,-0.5 0.477 101.5 72.3 -75.1 -2.7 16.7 24.9 17.5 69 71 A I B < S-Fg 66 152B 4 -3,-2.5 -3,-0.6 82,-0.2 84,-0.2 -0.961 92.6-115.1-117.2 119.5 13.7 22.9 18.4 70 72 A V - 0 0 10 82,-1.9 2,-0.2 -2,-0.5 -6,-0.1 -0.245 36.0-131.3 -51.1 128.0 10.6 24.8 19.6 71 73 A A - 0 0 10 -4,-0.1 20,-1.8 -6,-0.1 2,-0.4 -0.535 6.2-134.0 -86.0 150.9 10.0 23.8 23.2 72 74 A V E +E 90 0A 3 -8,-0.3 18,-0.3 -11,-0.3 3,-0.1 -0.872 22.2 177.8-101.1 135.4 6.6 22.7 24.6 73 75 A Y E - 0 0 17 16,-3.9 2,-0.3 -2,-0.4 17,-0.2 0.705 60.6 -14.0-109.4 -25.9 5.7 24.3 27.9 74 76 A D E -E 89 0A 4 15,-1.2 15,-3.3 229,-0.0 -1,-0.4 -0.980 50.8-159.1-170.9 157.1 2.2 23.0 28.7 75 77 A T E +E 88 0A 11 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.558 30.1 117.2-127.7-163.2 -0.8 21.1 27.2 76 78 A G E -E 87 0A 5 11,-0.6 11,-2.2 -2,-0.2 2,-0.3 -0.919 46.8-107.3 136.4-164.3 -4.4 20.8 28.1 77 79 A E E -E 86 0A 59 -2,-0.3 2,-0.3 9,-0.3 -2,-0.0 -0.912 16.4-138.1-167.5 140.4 -7.9 21.6 26.7 78 80 A A E -E 85 0A 11 7,-1.6 7,-0.8 -2,-0.3 2,-0.4 -0.815 29.6-110.6-105.8 149.1 -10.5 24.2 27.6 79 81 A E E +E 84 0A 189 -2,-0.3 -73,-0.1 5,-0.2 3,-0.0 -0.619 43.4 164.4 -83.2 129.7 -14.2 23.3 27.7 80 82 A T E > -E 83 0A 28 3,-1.2 3,-5.3 -2,-0.4 -2,-0.0 -0.995 51.8 -87.0-147.3 144.5 -16.5 24.8 25.0 81 83 A P T 3 S+ 0 0 148 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.516 125.9 43.2 -8.2 -61.9 -20.0 24.1 23.7 82 84 A A T 3 S- 0 0 80 1,-0.2 -3,-0.0 -3,-0.0 3,-0.0 0.618 123.0-102.0 -72.7 -13.8 -19.0 21.4 21.1 83 85 A G E < S+ E 0 80A 21 -3,-5.3 -3,-1.2 2,-0.0 -1,-0.2 -0.899 71.0 10.3 129.9-159.8 -16.7 19.8 23.7 84 86 A P E - E 0 79A 49 0, 0.0 -41,-0.2 0, 0.0 -5,-0.2 -0.164 46.8-160.1 -57.9 149.0 -12.9 19.6 24.4 85 87 A L E - E 0 78A 1 -7,-0.8 -7,-1.6 -43,-0.1 2,-0.3 -0.850 13.0-151.2-134.1 92.2 -10.4 21.9 22.7 86 88 A P E - E 0 77A 1 0, 0.0 -46,-2.8 0, 0.0 -9,-0.3 -0.500 20.8-177.8 -67.3 124.4 -6.9 20.5 23.0 87 89 A Y E -DE 39 76A 8 -11,-2.2 -11,-0.6 -2,-0.3 2,-0.4 -0.815 17.8-149.7-123.4 164.5 -4.3 23.2 23.0 88 90 A I E -DE 38 75A 3 -50,-2.0 -50,-3.1 -2,-0.3 2,-0.7 -0.997 7.9-147.4-136.7 131.0 -0.5 23.2 23.2 89 91 A V E +DE 37 74A 0 -15,-3.3 -16,-3.9 -2,-0.4 -15,-1.2 -0.868 28.0 171.9-103.2 107.6 1.7 26.0 24.7 90 92 A M E -DE 36 72A 23 -54,-3.4 -54,-2.0 -2,-0.7 -18,-0.2 -0.550 41.8 -85.5-108.3 172.6 5.0 26.4 22.9 91 93 A E E -D 35 0A 13 -20,-1.8 2,-0.5 -56,-0.2 -56,-0.1 -0.516 52.6-112.7 -73.7 147.4 7.8 28.9 23.1 92 94 A Y - 0 0 66 -58,-0.5 2,-0.6 -2,-0.2 -1,-0.1 -0.724 27.5-166.7 -89.5 130.1 7.0 31.9 20.9 93 95 A V - 0 0 14 -2,-0.5 2,-1.6 52,-0.1 51,-0.1 -0.881 9.2-156.4-115.5 96.3 9.2 32.5 17.8 94 96 A D + 0 0 91 -2,-0.6 52,-1.3 2,-0.0 2,-0.2 -0.576 61.0 84.2 -70.8 96.9 8.6 35.9 16.4 95 97 A G E S-H 145 0B 28 -2,-1.6 2,-0.3 50,-0.2 50,-0.2 -0.747 73.5 -82.9-161.5-149.7 9.8 35.0 13.0 96 98 A V E -H 144 0B 54 48,-0.9 48,-2.7 -2,-0.2 2,-0.1 -0.995 30.3-121.0-145.2 141.4 9.2 33.5 9.6 97 99 A T E >> -H 143 0B 23 -2,-0.3 4,-1.6 46,-0.2 3,-0.6 -0.401 34.4-113.3 -76.3 163.8 9.2 30.0 8.1 98 100 A L H 3> S+ 0 0 0 44,-1.8 4,-2.4 41,-1.0 42,-0.2 0.798 114.8 71.1 -69.4 -25.3 11.7 29.4 5.4 99 101 A R H 34 S+ 0 0 166 40,-2.0 -1,-0.2 43,-0.3 41,-0.1 0.912 104.6 42.3 -53.8 -40.5 8.8 29.0 3.0 100 102 A D H X> S+ 0 0 72 -3,-0.6 3,-3.7 39,-0.2 4,-1.6 0.968 109.2 53.2 -70.3 -59.0 8.4 32.7 3.4 101 103 A I H 3X S+ 0 0 16 -4,-1.6 4,-0.7 1,-0.3 5,-0.3 0.830 110.1 51.4 -48.4 -34.1 12.0 33.9 3.2 102 104 A V H 3< S+ 0 0 19 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.431 111.2 50.3 -85.5 5.5 12.3 32.0 -0.0 103 105 A H H <4 S+ 0 0 146 -3,-3.7 -2,-0.2 -5,-0.2 -1,-0.2 0.667 118.1 30.8-111.8 -25.5 9.1 33.8 -1.3 104 106 A T H < S+ 0 0 108 -4,-1.6 -2,-0.2 2,-0.2 -3,-0.1 0.304 133.3 29.8-116.4 6.2 9.9 37.4 -0.6 105 107 A E S < S- 0 0 141 -4,-0.7 -3,-0.2 -5,-0.3 -4,-0.1 0.420 94.0-142.3-136.4 -13.4 13.6 37.3 -1.0 106 108 A G + 0 0 26 -5,-0.3 -1,-0.2 90,-0.1 -2,-0.2 -0.522 64.6 3.1 77.5-151.4 14.1 34.6 -3.5 107 109 A P S S- 0 0 45 0, 0.0 87,-0.2 0, 0.0 2,-0.2 -0.217 78.3-118.3 -65.7 156.6 17.1 32.3 -2.9 108 110 A M - 0 0 22 85,-3.1 6,-0.1 84,-0.1 -6,-0.0 -0.549 37.8 -88.0 -90.8 159.5 19.4 32.8 0.2 109 111 A T > - 0 0 90 -2,-0.2 4,-3.9 1,-0.1 5,-0.3 -0.501 41.6-118.1 -66.4 133.1 23.1 33.7 -0.0 110 112 A P H > S+ 0 0 42 0, 0.0 4,-3.8 0, 0.0 5,-0.2 0.871 116.8 41.3 -37.8 -50.7 25.0 30.4 -0.3 111 113 A K H > S+ 0 0 126 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.903 114.9 49.0 -69.5 -42.1 26.7 31.2 3.0 112 114 A R H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.996 116.8 45.3 -57.4 -56.6 23.6 32.6 4.6 113 115 A A H X S+ 0 0 0 -4,-3.9 4,-1.4 1,-0.2 5,-0.4 0.924 110.4 50.8 -46.7 -63.3 21.9 29.4 3.4 114 116 A I H X S+ 0 0 6 -4,-3.8 4,-1.8 -5,-0.3 -1,-0.2 0.900 109.3 55.7 -43.2 -47.1 24.7 27.0 4.5 115 117 A E H X S+ 0 0 83 -4,-2.4 4,-1.6 -5,-0.2 3,-0.3 0.961 108.8 44.2 -52.9 -59.4 24.5 28.7 7.9 116 118 A V H >X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 3,-1.8 0.964 114.3 45.4 -50.3 -73.1 20.8 28.1 8.5 117 119 A I H 3X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.3 -1,-0.2 0.728 107.7 59.8 -44.9 -30.7 20.5 24.4 7.3 118 120 A A H 3X S+ 0 0 8 -4,-1.8 4,-1.8 -5,-0.4 -1,-0.3 0.904 107.6 46.0 -67.3 -39.2 23.7 23.6 9.3 119 121 A D H S+ 0 0 1 -4,-2.6 5,-2.7 1,-0.2 -1,-0.2 0.799 110.6 51.0 -49.2 -34.0 16.1 14.8 17.7 128 130 A H H ><5S+ 0 0 21 -4,-2.4 3,-3.2 3,-0.2 -1,-0.2 0.971 104.1 52.5 -71.1 -54.6 17.6 11.6 16.3 129 131 A Q H 3<5S+ 0 0 151 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.604 107.4 57.0 -58.2 -11.3 19.8 10.6 19.3 130 132 A N T 3<5S- 0 0 70 -4,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.206 122.7-107.7-103.8 10.9 16.6 11.0 21.4 131 133 A G T < 5S+ 0 0 21 -3,-3.2 30,-1.2 1,-0.2 2,-0.4 0.740 77.5 128.9 71.2 24.5 14.8 8.5 19.3 132 134 A I E < -J 160 0C 6 -5,-2.7 2,-0.5 28,-0.2 -1,-0.2 -0.908 40.0-162.4-111.7 139.7 12.6 10.9 17.5 133 135 A I E -J 159 0C 10 26,-0.8 2,-1.3 -2,-0.4 26,-1.1 -0.984 11.8-147.9-123.2 123.9 12.2 11.1 13.7 134 136 A H - 0 0 0 -2,-0.5 3,-0.4 24,-0.2 24,-0.2 -0.739 15.4-177.2 -88.6 92.4 10.7 14.2 12.1 135 137 A R S S+ 0 0 56 -2,-1.3 -1,-0.2 22,-0.3 23,-0.1 0.417 73.2 62.1 -74.4 8.4 8.9 12.6 9.2 136 138 A D + 0 0 24 18,-0.3 2,-0.8 31,-0.0 -1,-0.2 -0.441 59.5 154.8-134.3 62.8 7.9 16.1 8.1 137 139 A V + 0 0 3 -3,-0.4 52,-0.2 29,-0.2 15,-0.0 -0.812 21.8 138.9 -95.1 108.0 11.0 18.3 7.3 138 140 A K > - 0 0 45 -2,-0.8 3,-3.0 50,-0.1 4,-0.3 -0.940 67.6 -94.0-142.2 163.9 10.1 21.1 4.9 139 141 A P T 3 S+ 0 0 4 0, 0.0 -40,-2.0 0, 0.0 -41,-1.0 0.609 122.0 58.9 -53.6 -14.1 10.8 24.8 4.3 140 142 A A T 3 S+ 0 0 11 -42,-0.2 -43,-0.1 -43,-0.2 -3,-0.0 0.518 100.3 54.1 -95.3 -6.5 7.6 25.6 6.2 141 143 A N S < S+ 0 0 6 -3,-3.0 12,-3.0 -44,-0.1 13,-0.5 0.284 92.8 77.4-110.1 9.4 8.7 23.8 9.4 142 144 A I E - I 0 152B 2 -4,-0.3 -44,-1.8 -3,-0.3 2,-0.3 -0.984 67.7-161.4-117.0 125.4 12.0 25.6 9.9 143 145 A M E -HI 97 151B 32 8,-4.6 8,-2.4 -2,-0.5 2,-0.6 -0.799 14.5-142.3-110.0 153.3 11.7 29.2 11.3 144 146 A I E -HI 96 150B 11 -48,-2.7 -48,-0.9 -2,-0.3 6,-0.2 -0.924 26.1-134.0-115.1 103.6 14.1 32.0 11.3 145 147 A S E > -H 95 0B 23 4,-3.7 3,-2.3 -2,-0.6 -50,-0.2 -0.029 27.9-103.6 -49.5 156.6 14.0 34.0 14.6 146 148 A A T 3 S+ 0 0 69 -52,-1.3 -1,-0.2 1,-0.3 -51,-0.1 0.552 127.4 51.7 -63.6 -4.1 13.8 37.8 14.4 147 149 A T T 3 S- 0 0 111 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.062 129.6 -97.6-119.7 27.8 17.5 37.6 15.4 148 150 A N S < S+ 0 0 103 -3,-2.3 2,-0.3 1,-0.2 -2,-0.2 0.757 76.4 146.1 60.5 31.2 18.4 35.1 12.6 149 151 A A - 0 0 35 -82,-0.0 -4,-3.7 -30,-0.0 2,-0.4 -0.685 46.2-121.6 -95.3 149.0 18.1 32.0 14.9 150 152 A V E - I 0 144B 8 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.762 27.5-179.0 -97.7 138.2 16.9 28.7 13.5 151 153 A K E - I 0 143B 23 -8,-2.4 -8,-4.6 -2,-0.4 2,-0.5 -0.999 14.3-157.0-136.5 130.4 13.9 26.9 14.9 152 154 A V E +gI 69 142B 3 -84,-3.7 -82,-1.9 -2,-0.4 -10,-0.2 -0.908 24.3 165.6-104.1 132.6 12.5 23.5 13.7 153 155 A M + 0 0 44 -12,-3.0 2,-0.7 -2,-0.5 -11,-0.1 0.643 29.3 88.4-133.2 -9.1 8.8 23.2 14.7 154 156 A D + 0 0 38 -13,-0.5 -18,-0.3 -18,-0.2 3,-0.1 -0.820 23.7 151.5-106.8 121.4 6.4 20.6 13.3 155 157 A F > + 0 0 4 -2,-0.7 3,-2.5 1,-0.1 -1,-0.1 0.315 38.8 112.8-118.5 7.1 6.1 17.1 14.9 156 158 A G T 3 S+ 0 0 11 1,-0.3 -1,-0.1 -20,-0.1 -100,-0.1 0.692 91.2 33.4 -53.3 -22.3 2.5 16.3 14.0 157 159 A I T 3 S+ 0 0 67 -3,-0.1 2,-0.4 -100,-0.1 -1,-0.3 0.081 94.2 119.4-121.0 19.8 3.7 13.5 11.8 158 160 A A < - 0 0 12 -3,-2.5 2,-0.5 -24,-0.2 -24,-0.2 -0.733 44.7-160.2 -94.8 136.1 6.7 12.5 13.8 159 161 A R E -J 133 0C 168 -26,-1.1 -26,-0.8 -2,-0.4 2,-0.6 -0.950 16.0-129.4-118.5 128.9 7.1 9.0 15.2 160 162 A A E J 132 0C 57 -2,-0.5 -28,-0.2 -28,-0.2 -29,-0.1 -0.654 360.0 360.0 -81.2 116.2 9.5 8.0 18.1 161 163 A I 0 0 161 -30,-1.2 -1,-0.1 -2,-0.6 -29,-0.1 0.709 360.0 360.0 -31.6 360.0 11.7 5.0 17.3 162 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 163 179 A T 0 0 132 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 68.8 2.7 17.6 -0.6 164 180 A A > + 0 0 25 1,-0.2 3,-1.8 2,-0.1 8,-0.0 0.109 360.0 116.1-110.4 19.8 5.6 15.3 -1.3 165 181 A Q T 3 S+ 0 0 66 1,-0.3 35,-0.3 37,-0.0 -1,-0.2 0.810 89.8 36.6 -58.7 -24.4 8.0 17.9 -2.8 166 182 A Y T 3 S+ 0 0 22 -3,-0.2 -1,-0.3 32,-0.1 2,-0.3 0.083 93.4 113.0-116.6 23.2 10.2 17.2 0.2 167 183 A L < - 0 0 38 -3,-1.8 5,-0.1 -31,-0.1 -3,-0.1 -0.689 61.8-119.1-100.1 153.3 9.8 13.4 0.8 168 184 A S > - 0 0 0 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.529 22.8-117.2 -85.4 150.3 12.3 10.6 0.4 169 185 A P H >> S+ 0 0 10 0, 0.0 3,-2.4 0, 0.0 4,-1.2 0.971 119.6 50.3 -47.5 -59.4 11.9 7.7 -2.0 170 186 A E H 34 S+ 0 0 12 1,-0.3 5,-0.5 71,-0.3 3,-0.3 0.873 115.8 40.9 -44.0 -47.7 11.9 5.4 1.0 171 187 A Q H 34 S+ 0 0 26 1,-0.2 -1,-0.3 3,-0.1 6,-0.1 0.551 99.0 79.9 -81.1 -6.3 9.2 7.6 2.7 172 188 A A H << S+ 0 0 44 -3,-2.4 -1,-0.2 -4,-1.5 -2,-0.2 0.953 105.7 26.2 -62.4 -52.6 7.4 8.0 -0.7 173 189 A R S < S- 0 0 152 -4,-1.2 -5,-0.1 -3,-0.3 0, 0.0 -0.075 115.4 -85.4 -90.5-162.6 5.9 4.5 -0.2 174 190 A G S S+ 0 0 84 -2,-0.1 3,-0.2 2,-0.0 -3,-0.1 0.314 90.2 131.0 -91.4 13.3 5.4 3.2 3.3 175 191 A D - 0 0 83 -5,-0.5 2,-0.6 -6,-0.2 -5,-0.1 0.518 68.9 -38.0 -46.4-164.2 9.0 1.9 3.1 176 192 A S - 0 0 75 1,-0.1 2,-0.7 5,-0.0 -1,-0.2 -0.527 57.7-171.8 -69.8 110.1 11.8 2.4 5.6 177 193 A V + 0 0 51 -2,-0.6 2,-0.2 -3,-0.2 -42,-0.1 -0.868 27.3 128.7-109.8 106.8 11.6 5.8 7.3 178 194 A D S >> S- 0 0 41 -2,-0.7 3,-1.2 -44,-0.0 4,-1.2 -0.491 70.2 -52.4-133.5-159.7 14.6 6.7 9.5 179 195 A A H >> S+ 0 0 24 1,-0.3 4,-1.8 2,-0.2 3,-1.1 0.947 128.4 53.8 -45.6 -61.7 17.3 9.2 10.3 180 196 A R H 3> S+ 0 0 39 1,-0.3 4,-2.6 68,-0.2 -1,-0.3 0.728 97.4 65.6 -49.7 -28.4 18.5 9.3 6.7 181 197 A S H <> S+ 0 0 0 -3,-1.2 4,-2.1 2,-0.2 -1,-0.3 0.953 105.4 43.5 -59.3 -49.6 15.0 10.1 5.5 182 198 A D H X S+ 0 0 1 -4,-2.1 3,-2.0 1,-0.2 4,-1.8 0.977 105.4 52.4 -66.1 -52.8 14.6 16.0 3.3 186 202 A L H 3X S+ 0 0 1 -4,-3.2 4,-3.5 1,-0.3 5,-0.2 0.816 102.8 62.8 -52.3 -28.9 17.0 18.6 4.6 187 203 A G H 3X S+ 0 0 0 -4,-1.2 4,-1.4 -5,-0.3 -1,-0.3 0.843 102.3 48.5 -64.9 -33.9 18.8 18.1 1.3 188 204 A C H > S- 0 0 62 1,-0.1 4,-1.4 -3,-0.1 3,-0.6 -0.866 88.5-111.2-121.0 154.7 0.7 16.3 -9.8 205 221 A P H >> S+ 0 0 88 0, 0.0 4,-2.4 0, 0.0 3,-0.8 0.917 113.5 53.5 -45.9 -57.3 2.0 14.6 -6.6 206 222 A V H 3> S+ 0 0 111 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.825 103.4 55.7 -51.2 -39.9 2.8 11.2 -8.3 207 223 A S H <> S+ 0 0 43 -3,-0.6 4,-2.0 2,-0.2 -1,-0.3 0.911 112.3 45.4 -62.0 -37.6 4.9 12.9 -11.0 208 224 A V H X S+ 0 0 32 -4,-2.4 4,-1.7 1,-0.3 3,-0.5 0.944 111.9 52.0 -42.5 -58.1 7.3 11.2 -6.1 210 226 A Y H 3< S+ 0 0 114 -4,-2.7 3,-0.4 1,-0.3 -1,-0.3 0.897 107.9 51.6 -46.2 -49.5 8.3 9.4 -9.2 211 227 A Q H >X S+ 0 0 46 -4,-2.0 4,-1.8 1,-0.2 3,-1.1 0.879 104.2 56.6 -58.7 -40.7 11.0 12.0 -9.9 212 228 A H H << S+ 0 0 2 -4,-2.4 2,-0.3 -3,-0.5 -1,-0.2 0.885 116.0 37.1 -58.3 -39.3 12.4 11.7 -6.4 213 229 A V T 3< S+ 0 0 37 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.1 -0.438 128.0 30.7-111.6 58.5 13.0 7.9 -7.0 214 230 A R T <4 S+ 0 0 147 -3,-1.1 2,-0.4 1,-0.3 -2,-0.2 0.315 105.5 62.6 177.1 -12.2 14.0 7.9 -10.7 215 231 A E S < S- 0 0 72 -4,-1.8 -1,-0.3 -5,-0.2 3,-0.0 -0.992 71.7-120.7-138.9 138.0 15.8 11.2 -11.6 216 232 A D - 0 0 131 -2,-0.4 2,-0.6 1,-0.1 24,-0.1 -0.473 40.0-105.4 -73.5 139.7 19.0 12.8 -10.5 217 233 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -17,-0.1 -0.518 39.0-109.4 -68.2 113.1 18.6 16.3 -9.0 218 234 A I - 0 0 89 -2,-0.6 5,-0.1 -19,-0.4 -3,-0.0 -0.133 49.4 -95.8 -39.5 123.9 19.8 18.9 -11.5 219 235 A P > - 0 0 52 0, 0.0 4,-0.9 0, 0.0 3,-0.4 -0.173 29.0-122.0 -49.1 137.5 23.1 20.1 -10.0 220 236 A P H >> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-1.5 0.903 111.9 55.4 -46.9 -50.8 22.6 23.3 -8.0 221 237 A S H 34 S+ 0 0 47 1,-0.3 3,-0.2 2,-0.2 6,-0.1 0.913 106.7 49.4 -49.9 -49.4 25.1 25.2 -10.1 222 238 A A H 34 S+ 0 0 80 -3,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.650 115.7 46.1 -66.2 -15.0 23.2 24.3 -13.3 223 239 A R H << S+ 0 0 122 -3,-1.5 2,-0.3 -4,-0.9 -2,-0.2 0.706 122.5 16.3-100.4 -26.6 20.0 25.5 -11.6 224 240 A H S < S- 0 0 74 -4,-2.4 3,-0.3 1,-0.3 -1,-0.3 -0.987 74.3-108.3-149.9 158.3 21.2 28.8 -10.1 225 241 A E S S+ 0 0 158 -2,-0.3 2,-2.6 1,-0.2 -1,-0.3 0.887 94.4 35.3 -49.1-118.2 24.0 31.4 -10.3 226 242 A G S S+ 0 0 39 1,-0.1 2,-0.5 2,-0.0 -1,-0.2 -0.125 79.6 144.6 -47.1 70.3 26.7 31.7 -7.5 227 243 A L - 0 0 19 -2,-2.6 2,-0.4 -3,-0.3 -1,-0.1 -0.926 47.0-137.1-126.1 113.6 26.8 28.1 -6.7 228 244 A S >> - 0 0 56 -2,-0.5 3,-4.8 1,-0.2 4,-1.6 -0.462 12.0-140.2 -63.1 113.7 30.1 26.4 -5.6 229 245 A A H 3> S+ 0 0 69 -2,-0.4 4,-0.6 1,-0.3 -1,-0.2 0.471 108.0 65.2 -56.5 3.8 30.3 23.0 -7.3 230 246 A D H 3> S+ 0 0 78 2,-0.2 4,-0.5 3,-0.1 -1,-0.3 0.629 99.2 48.9 -94.9 -24.8 31.7 22.1 -3.9 231 247 A L H <> S+ 0 0 2 -3,-4.8 4,-2.5 2,-0.2 3,-0.5 0.774 104.2 59.9 -82.1 -30.9 28.2 22.9 -2.6 232 248 A D H X S+ 0 0 15 -4,-1.6 4,-2.4 1,-0.2 5,-0.4 0.923 98.8 58.8 -61.0 -41.6 26.8 20.7 -5.3 233 249 A A H < S+ 0 0 14 -4,-0.6 4,-0.5 -5,-0.2 -1,-0.2 0.814 110.3 41.8 -56.6 -32.6 28.8 17.9 -3.8 234 250 A V H X S+ 0 0 0 -4,-0.5 4,-2.2 -3,-0.5 5,-0.2 0.930 116.2 46.4 -80.9 -50.8 27.0 18.3 -0.5 235 251 A V H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.966 115.2 44.3 -56.8 -59.8 23.5 18.8 -1.9 236 252 A L H < S+ 0 0 51 -4,-2.4 -1,-0.2 1,-0.2 -3,-0.2 0.743 110.2 58.1 -61.2 -24.0 23.5 16.0 -4.4 237 253 A K H >4 S+ 0 0 45 -4,-0.5 3,-2.2 -5,-0.4 -1,-0.2 0.981 107.7 44.0 -68.2 -56.7 25.1 13.7 -1.8 238 254 A A H 3< S+ 0 0 0 -4,-2.2 -51,-0.2 1,-0.3 -2,-0.2 0.718 112.4 55.7 -60.3 -21.7 22.2 14.1 0.7 239 255 A L T 3< S+ 0 0 0 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.308 75.9 135.3 -94.5 10.0 19.8 13.7 -2.2 240 256 A A < - 0 0 21 -3,-2.2 6,-0.1 1,-0.2 -3,-0.1 -0.407 59.9-133.9 -60.5 126.7 21.3 10.3 -3.2 241 257 A K S S+ 0 0 54 -2,-0.1 -71,-0.3 4,-0.1 -1,-0.2 0.808 90.0 74.1 -51.9 -33.9 18.4 7.9 -3.9 242 258 A N S >> S- 0 0 71 1,-0.2 3,-1.2 -73,-0.1 4,-0.5 -0.746 75.3-147.2 -89.5 115.6 20.2 5.3 -1.8 243 259 A P G >4 S+ 0 0 20 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.876 101.5 52.1 -41.9 -48.4 20.1 5.8 2.0 244 260 A E G 34 S+ 0 0 117 1,-0.3 4,-0.1 -3,-0.1 -3,-0.0 0.837 105.1 55.8 -60.2 -36.7 23.5 4.2 2.3 245 261 A N G <4 S+ 0 0 112 -3,-1.2 -1,-0.3 2,-0.1 2,-0.2 0.423 103.1 63.4 -80.4 2.2 25.0 6.5 -0.4 246 262 A R S << S- 0 0 1 -3,-1.6 -8,-0.2 -4,-0.5 -66,-0.1 -0.601 109.1 -56.7-114.4-179.9 24.0 9.7 1.4 247 263 A Y - 0 0 4 -2,-0.2 -1,-0.1 1,-0.2 -64,-0.1 -0.368 45.0-151.0 -58.7 131.3 25.0 11.2 4.8 248 264 A Q S S+ 0 0 62 -4,-0.1 2,-0.3 1,-0.1 -68,-0.2 0.732 78.0 25.3 -77.4 -24.3 24.2 8.6 7.5 249 265 A T S > S- 0 0 63 -70,-0.1 4,-1.2 -69,-0.1 3,-0.1 -0.940 77.9-122.3-136.6 156.4 23.6 11.1 10.2 250 266 A A H > S+ 0 0 0 -2,-0.3 4,-2.0 1,-0.2 -125,-0.1 0.705 114.3 56.8 -71.8 -21.5 22.6 14.8 10.1 251 267 A A H > S+ 0 0 38 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.801 102.7 55.0 -77.0 -32.0 25.8 15.7 12.0 252 268 A E H > S+ 0 0 75 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.868 109.4 47.2 -68.3 -35.4 27.7 14.1 9.3 253 269 A M H < S+ 0 0 0 -4,-1.2 3,-0.3 2,-0.2 -2,-0.2 0.925 112.0 49.6 -70.1 -44.4 25.9 16.3 6.8 254 270 A R H >X S+ 0 0 63 -4,-2.0 4,-3.3 1,-0.2 3,-2.7 0.925 104.3 59.4 -58.1 -47.0 26.5 19.4 8.9 255 271 A A H 3X S+ 0 0 33 -4,-2.8 4,-1.5 1,-0.3 -1,-0.2 0.869 107.3 46.7 -50.1 -40.2 30.2 18.4 9.1 256 272 A D H 3X S+ 0 0 1 -4,-1.1 4,-0.7 -3,-0.3 -1,-0.3 0.389 113.0 49.9 -85.2 2.2 30.3 18.7 5.3 257 273 A L H <> S+ 0 0 0 -3,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.733 108.0 50.2-102.9 -41.0 28.5 22.0 5.5 258 274 A V H X S+ 0 0 54 -4,-3.3 4,-2.2 2,-0.2 6,-0.2 0.887 110.1 55.3 -62.8 -36.7 30.8 23.5 8.1 259 275 A R H <>S+ 0 0 65 -4,-1.5 5,-1.4 -5,-0.4 3,-0.5 0.991 111.1 40.5 -58.4 -62.4 33.6 22.4 5.8 260 276 A V H <5S+ 0 0 21 -4,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.849 110.8 60.8 -55.0 -36.7 32.2 24.2 2.7 261 277 A H H <5S+ 0 0 59 -4,-2.8 -1,-0.2 2,-0.1 -2,-0.2 0.925 110.7 39.4 -58.9 -46.7 31.3 27.2 4.9 262 278 A N T <5S- 0 0 91 -4,-2.2 -2,-0.1 -3,-0.5 -3,-0.1 0.790 123.2 -92.5 -65.3-104.9 34.9 27.7 5.9 263 279 A G T 5S+ 0 0 67 -4,-0.4 -3,-0.2 -5,-0.1 -4,-0.1 0.241 79.9 130.5-157.8 7.9 36.8 27.0 2.7 264 280 A E < - 0 0 106 -5,-1.4 -2,-0.0 -6,-0.2 0, 0.0 -0.202 63.3 -94.2 -71.9 159.3 37.6 23.3 3.0 265 281 A P - 0 0 94 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.485 41.3-111.7 -73.5 137.0 36.9 20.5 0.4 266 282 A P - 0 0 19 0, 0.0 -10,-0.1 0, 0.0 -9,-0.1 -0.551 12.0-140.8 -71.0 130.9 33.7 18.6 0.7 267 283 A E S S+ 0 0 135 -2,-0.3 -11,-0.1 -33,-0.0 0, 0.0 -0.020 76.1 109.3 -80.1 32.2 34.3 15.0 1.8 268 284 A A - 0 0 15 1,-0.2 -34,-0.1 -38,-0.1 -35,-0.1 -0.760 68.9-122.1-104.7 153.5 31.6 14.4 -0.7 269 285 A P 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -32,-0.1 0.330 360.0 360.0 -75.8-153.6 32.3 12.7 -4.1 270 286 A K 0 0 248 -38,-0.0 0, 0.0 -37,-0.0 0, 0.0 0.520 360.0 360.0 8.6 360.0 31.8 13.6 -7.8 271 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 272 1 B M 0 0 218 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.3 6.3 13.3 52.9 273 2 B T + 0 0 121 42,-0.1 3,-0.1 3,-0.0 0, 0.0 0.519 360.0 92.3 -76.3 -6.6 3.7 16.0 53.5 274 3 B T S S- 0 0 18 1,-0.1 4,-0.0 79,-0.0 79,-0.0 -0.792 90.9-107.4 -85.0 129.6 4.1 17.5 50.0 275 4 B P - 0 0 36 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.267 11.6-125.7 -45.5 178.6 1.4 15.7 47.9 276 5 B S S S+ 0 0 80 1,-0.3 8,-1.0 7,-0.1 2,-0.4 0.617 99.6 37.3-104.3 -21.8 2.0 13.0 45.2 277 6 B H E > S-K 283 0D 66 6,-0.2 3,-1.6 22,-0.1 2,-0.4 -0.861 74.7-153.2-136.6 99.3 0.2 14.8 42.5 278 7 B L E >> S-K 282 0D 0 4,-2.4 3,-2.5 -2,-0.4 4,-2.2 -0.593 91.9 -10.7 -72.1 124.3 0.5 18.6 42.3 279 8 B S T 34 S- 0 0 60 -2,-0.4 -1,-0.3 1,-0.3 72,-0.0 0.758 117.3 -84.9 53.7 23.2 -2.7 19.8 40.6 280 9 B D T <4 S+ 0 0 132 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.573 125.8 83.3 55.4 12.8 -3.0 16.1 39.9 281 10 B R T <4 S+ 0 0 19 -3,-2.5 21,-2.4 1,-0.2 2,-0.5 0.772 77.3 58.3-108.5 -40.4 -0.8 16.6 36.9 282 11 B Y E < -KL 278 301D 1 -4,-2.2 -4,-2.4 19,-0.2 2,-0.7 -0.851 67.8-155.0-100.2 123.2 2.7 16.5 38.2 283 12 B E E -KL 277 300D 85 17,-2.0 17,-1.1 -2,-0.5 -6,-0.2 -0.869 14.7-141.9-100.6 109.6 3.8 13.3 40.1 284 13 B L E + L 0 299D 24 -8,-1.0 15,-0.3 -2,-0.7 2,-0.1 -0.376 27.7 165.0 -72.1 144.9 6.6 14.0 42.5 285 14 B G E + 0 0 45 13,-2.1 14,-0.1 1,-0.5 -1,-0.1 -0.122 49.4 0.1-127.4-132.8 9.4 11.4 42.9 286 15 B E E S- 0 0 130 11,-0.1 12,-2.5 1,-0.1 2,-0.5 -0.260 74.1-113.3 -62.7 148.7 12.8 11.5 44.5 287 16 B I E - 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0 0 10 0, 0.0 -9,-0.1 0, 0.0 -10,-0.1 -0.440 46.4-103.1 -67.2 149.8 36.6 30.5 47.6 472 215 B P S S+ 0 0 12 0, 0.0 19,-0.5 0, 0.0 2,-0.4 0.674 106.4 32.8 -47.5 -24.6 38.8 33.6 47.5 473 216 B F + 0 0 7 -35,-0.1 2,-0.4 17,-0.1 12,-0.1 -0.970 65.4 169.4-141.0 120.7 38.1 34.5 51.2 474 217 B T + 0 0 62 -2,-0.4 2,-0.2 6,-0.1 -4,-0.0 -0.973 9.4 153.7-129.2 146.0 37.5 32.0 54.0 475 218 B G - 0 0 25 -2,-0.4 6,-0.0 9,-0.0 -2,-0.0 -0.733 53.4 -98.1-148.4-163.5 37.3 32.8 57.7 476 219 B D S S+ 0 0 171 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.180 100.8 30.1-115.7 17.3 35.7 31.5 60.8 477 220 B S S > S- 0 0 56 1,-0.1 4,-1.0 0, 0.0 3,-0.4 -0.960 83.0-108.4-166.8 153.7 32.7 33.8 60.9 478 221 B P H >> S+ 0 0 89 0, 0.0 4,-2.8 0, 0.0 3,-0.9 0.930 117.5 51.4 -54.3 -48.8 30.6 35.8 58.5 479 222 B V H 3> S+ 0 0 107 1,-0.3 4,-2.1 2,-0.3 5,-0.1 0.811 105.9 52.5 -59.9 -35.5 32.1 39.1 59.5 480 223 B S H 3> S+ 0 0 36 -3,-0.4 4,-1.3 2,-0.2 -1,-0.3 0.725 113.7 49.9 -72.5 -18.6 35.6 37.9 59.0 481 224 B V H X S+ 0 0 110 -4,-2.1 3,-2.2 -5,-0.3 4,-1.8 0.966 100.9 49.0 -50.3 -64.3 35.7 41.9 56.0 484 227 B Q H 3X S+ 0 0 46 -4,-1.3 4,-2.2 1,-0.3 -1,-0.2 0.851 104.4 61.1 -45.5 -44.3 38.2 40.3 53.6 485 228 B H H 3< S+ 0 0 3 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.733 111.9 38.7 -56.9 -26.9 36.0 41.2 50.6 486 229 B V H << S+ 0 0 41 -3,-2.2 -1,-0.2 -4,-0.9 -2,-0.2 0.827 132.9 13.8 -96.7 -35.8 36.4 44.8 51.4 487 230 B R H < S+ 0 0 187 -4,-1.8 2,-0.4 1,-0.1 -2,-0.2 0.221 106.6 78.8-129.5 17.0 40.0 45.3 52.5 488 231 B E S < S- 0 0 87 -4,-2.2 -1,-0.1 -5,-0.3 3,-0.0 -0.993 71.4-133.0-127.8 125.1 41.9 42.2 51.6 489 232 B D - 0 0 128 -2,-0.4 -4,-0.1 1,-0.1 24,-0.1 -0.666 35.7-103.7 -80.7 127.2 43.1 41.6 48.1 490 233 B P - 0 0 9 0, 0.0 -17,-0.1 0, 0.0 -1,-0.1 -0.225 37.2-103.4 -51.7 124.5 42.3 38.0 46.9 491 234 B I - 0 0 100 -19,-0.5 4,-0.2 1,-0.1 5,-0.2 -0.324 49.0-110.0 -52.0 108.7 45.3 35.6 46.9 492 235 B P - 0 0 65 0, 0.0 -1,-0.1 0, 0.0 13,-0.1 -0.071 38.5-101.3 -43.4 137.7 46.1 35.6 43.2 493 236 B P S S+ 0 0 1 0, 0.0 7,-0.1 0, 0.0 12,-0.1 0.086 113.7 59.9 -53.5-180.0 45.3 32.1 41.6 494 237 B S S S+ 0 0 54 4,-0.1 5,-0.1 5,-0.1 6,-0.1 0.815 91.7 124.9 58.0 23.5 48.1 29.7 40.9 495 238 B A S S- 0 0 35 -4,-0.2 5,-0.0 1,-0.1 -27,-0.0 0.945 84.1 -8.2 -77.5 -91.3 47.8 30.6 44.6 496 239 B R S S+ 0 0 222 -5,-0.2 2,-0.3 -26,-0.1 -27,-0.2 -0.157 132.2 77.9-102.3 33.1 47.4 27.5 46.7 497 240 B H S S- 0 0 67 -29,-0.1 2,-0.2 3,-0.1 3,-0.2 -0.998 76.6-130.0-142.2 141.4 47.1 25.7 43.4 498 241 B E S S+ 0 0 183 -2,-0.3 -4,-0.1 1,-0.2 -3,-0.1 -0.602 76.6 25.0 -93.3 153.5 49.7 24.6 40.9 499 242 B G + 0 0 64 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.979 68.9 147.1 64.3 65.9 49.7 25.2 37.1 500 243 B L - 0 0 11 -3,-0.2 -1,-0.2 -7,-0.1 5,-0.1 -0.825 51.1-118.2-135.7 97.1 47.6 28.3 36.5 501 244 B S >> - 0 0 63 -2,-0.4 3,-1.3 1,-0.2 4,-0.6 0.071 17.3-135.4 -31.7 117.7 48.4 30.6 33.6 502 245 B A H >> S+ 0 0 73 1,-0.3 3,-1.3 2,-0.2 4,-1.3 0.815 105.9 60.7 -50.3 -33.2 49.3 34.0 35.1 503 246 B D H 3> S+ 0 0 66 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.883 97.2 59.3 -61.4 -38.1 47.1 35.6 32.3 504 247 B L H <> S+ 0 0 0 -3,-1.3 4,-2.0 1,-0.2 -1,-0.3 0.665 102.2 57.8 -62.7 -15.6 44.2 33.6 33.7 505 248 B D H X S+ 0 0 0 -4,-1.1 4,-2.5 2,-0.2 3,-1.6 0.991 112.9 39.8 -73.3 -64.8 41.2 37.8 34.6 508 251 B V H 3X S+ 0 0 0 -4,-2.0 4,-0.5 1,-0.3 -2,-0.2 0.838 119.1 50.5 -53.0 -35.4 40.1 36.3 38.0 509 252 B L H 3< S+ 0 0 53 -4,-3.5 -1,-0.3 2,-0.2 -2,-0.2 0.576 109.5 48.4 -82.7 -11.7 41.7 39.3 39.7 510 253 B K H X< S+ 0 0 40 -3,-1.6 3,-2.6 -4,-0.5 -2,-0.2 0.860 107.3 55.0 -88.4 -46.4 39.9 41.9 37.6 511 254 B A H 3< S+ 0 0 0 -4,-2.5 -51,-0.3 1,-0.3 -2,-0.2 0.720 112.7 46.9 -55.8 -21.1 36.6 40.2 38.1 512 255 B L T 3< S+ 0 0 2 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.230 79.6 140.1-106.4 9.2 37.3 40.6 41.8 513 256 B A < - 0 0 19 -3,-2.6 6,-0.1 5,-0.1 -3,-0.1 -0.145 56.9-126.8 -51.2 151.5 38.5 44.2 41.8 514 257 B K S S+ 0 0 57 1,-0.1 -1,-0.1 4,-0.1 3,-0.1 0.885 93.5 51.5 -71.1 -41.5 37.2 46.2 44.8 515 258 B N S > S- 0 0 75 1,-0.1 3,-1.6 -73,-0.1 4,-0.3 -0.871 80.5-135.9-103.1 127.4 35.6 49.0 42.9 516 259 B P G > S+ 0 0 13 0, 0.0 3,-4.1 0, 0.0 -1,-0.1 0.883 101.9 62.4 -43.4 -53.3 33.2 48.2 40.1 517 260 B E G 3 S+ 0 0 120 1,-0.3 4,-0.1 -3,-0.1 -4,-0.0 0.845 106.3 48.2 -43.5 -37.9 34.7 50.8 37.6 518 261 B N G < S+ 0 0 110 -3,-1.6 -1,-0.3 2,-0.1 2,-0.2 0.423 104.3 76.9 -85.9 1.6 37.9 48.7 37.9 519 262 B R S < S- 0 0 1 -3,-4.1 2,-0.3 -4,-0.3 -8,-0.2 -0.466 106.6 -69.8-100.6 177.6 36.1 45.4 37.3 520 263 B Y - 0 0 1 1,-0.2 -1,-0.1 -2,-0.2 -64,-0.1 -0.571 45.8-144.3 -66.6 126.8 34.7 44.0 34.0 521 264 B Q S S+ 0 0 73 -2,-0.3 2,-0.3 -4,-0.1 -68,-0.2 0.590 77.5 21.9 -72.2 -11.2 31.8 46.3 33.4 522 265 B T S > S- 0 0 53 -70,-0.1 4,-1.3 -69,-0.1 -124,-0.1 -0.900 73.7-120.4-146.7 170.9 29.7 43.5 31.9 523 266 B A H > S+ 0 0 0 -2,-0.3 4,-2.0 2,-0.2 -125,-0.1 0.711 117.9 54.7 -86.5 -22.5 29.5 39.7 32.0 524 267 B A H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.897 106.4 49.8 -71.7 -45.0 30.1 39.7 28.3 525 268 B E H > S+ 0 0 66 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.931 110.8 50.9 -58.4 -47.9 33.3 41.8 28.7 526 269 B M H X S+ 0 0 0 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.938 107.3 54.4 -56.1 -49.4 34.4 39.3 31.3 527 270 B R H >X S+ 0 0 84 -4,-2.0 3,-1.8 1,-0.2 4,-1.6 0.960 101.0 56.6 -50.5 -64.5 33.7 36.4 28.9 528 271 B A H 3X S+ 0 0 31 -4,-2.1 4,-2.2 1,-0.3 3,-0.4 0.835 105.7 52.3 -33.8 -53.1 35.8 37.7 26.0 529 272 B D H 3X S+ 0 0 4 -4,-1.5 4,-2.8 1,-0.2 -1,-0.3 0.863 106.2 54.6 -55.3 -39.3 38.9 37.8 28.4 530 273 B L H