==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-JAN-09 3FYD . COMPND 2 MOLECULE: PROBABLE DIMETHYLADENOSINE TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR J.N.SCARSDALE,F.N.MUSAYEV,J.P.RIFE . 263 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 8.4 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 . 0 0.0 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 . 15 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 0 0 2 2 1 2 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 3 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 . 1 1 0 0 0 1 0 1 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 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 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 10 A Q 0 0 112 0, 0.0 2,-0.9 0, 0.0 158,-0.1 0.000 360.0 360.0 360.0 107.6 25.0 23.9 8.7 2 11 A C - 0 0 54 156,-0.1 2,-0.2 159,-0.0 159,-0.1 -0.745 360.0-158.6 -84.4 103.2 24.4 20.2 9.4 3 12 A F E -A 159 0A 44 156,-2.6 156,-2.3 -2,-0.9 2,-0.5 -0.571 22.4-115.0 -79.9 144.5 20.7 19.7 9.7 4 13 A L E +A 158 0A 18 154,-0.2 28,-0.3 -2,-0.2 154,-0.2 -0.719 42.2 167.2 -77.6 120.8 19.3 16.7 11.5 5 14 A I + 0 0 80 152,-2.9 2,-0.8 -2,-0.5 153,-0.2 0.582 43.3 94.3-112.2 -15.0 17.5 14.7 8.8 6 15 A D >> - 0 0 42 151,-1.7 4,-1.7 1,-0.2 3,-1.4 -0.705 54.4-163.1 -93.0 105.8 16.9 11.3 10.5 7 16 A K H 3> S+ 0 0 86 -2,-0.8 4,-3.2 1,-0.3 -1,-0.2 0.778 87.1 67.5 -59.8 -28.2 13.4 11.2 12.1 8 17 A N H 3> S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.880 103.8 43.4 -58.8 -36.7 14.5 8.3 14.2 9 18 A F H <> S+ 0 0 32 -3,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.867 110.7 54.8 -78.4 -34.6 16.9 10.5 16.1 10 19 A V H X S+ 0 0 2 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.978 109.9 48.9 -52.8 -54.5 14.3 13.2 16.3 11 20 A N H X S+ 0 0 64 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.891 109.6 50.7 -53.6 -49.3 12.0 10.6 17.9 12 21 A K H X S+ 0 0 108 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.915 112.1 46.9 -57.7 -46.5 14.7 9.4 20.4 13 22 A A H X S+ 0 0 9 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.954 114.9 46.3 -60.0 -49.1 15.3 13.0 21.6 14 23 A V H <>S+ 0 0 15 -4,-2.7 5,-0.6 1,-0.2 3,-0.5 0.916 111.4 51.3 -63.4 -44.9 11.6 13.8 21.9 15 24 A E H ><5S+ 0 0 145 -4,-3.0 3,-1.5 1,-0.2 -1,-0.2 0.910 108.9 51.8 -56.2 -42.9 10.8 10.5 23.8 16 25 A S H 3<5S+ 0 0 6 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.767 99.8 63.9 -66.8 -27.1 13.7 11.3 26.2 17 26 A A T 3<5S- 0 0 1 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.577 95.0-145.4 -73.6 -12.2 12.2 14.8 26.8 18 27 A N T < 5 - 0 0 116 -3,-1.5 -3,-0.1 -4,-0.4 2,-0.1 0.898 28.4-165.2 47.9 54.3 9.1 13.1 28.3 19 28 A L < + 0 0 26 -5,-0.6 2,-0.3 2,-0.0 -1,-0.1 -0.382 19.4 175.2 -78.3 145.4 6.8 15.8 27.0 20 29 A T > - 0 0 67 -2,-0.1 3,-2.1 0, 0.0 24,-0.7 -0.905 49.0 -97.0-134.5 170.0 3.2 16.6 27.9 21 30 A K T 3 S+ 0 0 112 -2,-0.3 22,-0.1 1,-0.3 -2,-0.0 0.439 121.0 61.7 -69.3 1.4 0.8 19.3 26.9 22 31 A D T 3 S+ 0 0 134 22,-0.1 2,-0.3 21,-0.0 -1,-0.3 0.469 87.3 94.0 -97.7 -7.4 1.7 21.2 30.1 23 32 A D < - 0 0 15 -3,-2.1 21,-2.8 19,-0.2 22,-0.9 -0.662 61.2-154.2 -86.4 145.1 5.3 21.5 29.0 24 33 A V E -b 45 0B 12 -2,-0.3 63,-2.7 20,-0.2 64,-2.1 -0.975 18.2-154.4-119.3 122.2 6.7 24.6 27.2 25 34 A V E -bc 46 88B 0 20,-2.5 22,-2.7 -2,-0.5 2,-0.5 -0.826 12.5-154.4-110.5 132.9 9.8 23.8 25.1 26 35 A L E -bc 47 89B 0 62,-2.8 64,-2.2 -2,-0.4 2,-0.5 -0.892 15.6-167.7 -94.5 127.3 12.6 26.0 23.9 27 36 A E E -b 48 0B 7 20,-3.1 22,-2.7 -2,-0.5 2,-0.8 -0.965 12.8-147.3-115.9 133.3 14.3 24.8 20.7 28 37 A I E S+b 49 0B 5 -2,-0.5 64,-0.4 62,-0.2 22,-0.2 -0.903 73.4 11.8-100.4 106.8 17.6 26.3 19.6 29 38 A G - 0 0 16 20,-2.7 63,-0.2 -2,-0.8 21,-0.2 0.391 60.6-138.1 97.1 131.5 17.6 26.2 15.8 30 39 A L > + 0 0 4 1,-0.1 3,-2.0 18,-0.1 6,-0.4 0.821 36.0 167.2 -82.9 -37.5 14.8 25.6 13.4 31 40 A G T 3 S- 0 0 20 1,-0.3 -1,-0.1 2,-0.1 27,-0.1 -0.287 77.0 -27.5 49.8-133.9 16.7 23.4 10.8 32 41 A K T 3 S- 0 0 84 -28,-0.3 -1,-0.3 26,-0.1 -2,-0.1 0.413 90.0-113.4 -87.2 0.5 14.2 21.8 8.5 33 42 A G S <> S+ 0 0 4 -3,-2.0 4,-2.6 -4,-0.0 -2,-0.1 0.555 83.1 122.7 80.4 9.7 11.5 22.0 11.2 34 43 A I H > S+ 0 0 54 -30,-0.2 4,-1.8 2,-0.2 5,-0.1 0.957 82.2 38.7 -67.4 -49.9 11.3 18.2 11.7 35 44 A L H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.928 114.2 57.0 -62.1 -45.2 12.1 18.4 15.4 36 45 A T H > S+ 0 0 0 -6,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.920 105.2 50.9 -52.7 -47.9 10.0 21.6 15.7 37 46 A E H X S+ 0 0 55 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.923 109.9 48.6 -58.5 -46.2 7.0 19.7 14.3 38 47 A E H X S+ 0 0 22 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.896 112.5 49.3 -61.8 -40.3 7.4 16.9 16.9 39 48 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 3,-0.2 0.926 110.8 49.9 -60.8 -45.6 7.7 19.4 19.7 40 49 A A H < S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.851 109.2 52.6 -63.8 -36.5 4.6 21.3 18.5 41 50 A K H < S+ 0 0 90 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.858 121.9 28.3 -65.3 -36.9 2.6 18.1 18.4 42 51 A N H < S+ 0 0 71 -4,-1.4 -19,-0.2 -3,-0.2 -2,-0.2 0.664 109.8 64.3-107.5 -21.0 3.5 17.1 21.9 43 52 A A S < S- 0 0 0 -4,-2.7 -22,-0.3 -5,-0.2 -19,-0.2 -0.590 81.1-114.4-104.5 164.3 4.1 20.2 24.0 44 53 A K S S- 0 0 128 -21,-2.8 2,-0.3 -24,-0.7 -20,-0.2 0.925 95.2 -19.6 -57.3 -45.0 1.9 23.2 25.1 45 54 A K E -b 24 0B 56 -22,-0.9 -20,-2.5 -6,-0.1 2,-0.4 -0.972 60.5-141.6-164.2 150.1 4.0 25.6 23.0 46 55 A V E -bd 25 69B 0 22,-2.5 24,-2.6 -2,-0.3 2,-0.4 -0.994 4.5-158.2-127.4 128.1 7.4 25.7 21.4 47 56 A Y E -bd 26 70B 18 -22,-2.7 -20,-3.1 -2,-0.4 2,-0.5 -0.889 12.9-161.9 -93.8 135.3 9.7 28.7 21.1 48 57 A V E -bd 27 71B 0 22,-2.5 24,-3.6 -2,-0.4 2,-0.7 -0.970 5.7-158.2-120.8 116.0 12.3 28.4 18.4 49 58 A I E +bd 28 72B 3 -22,-2.7 -20,-2.7 -2,-0.5 2,-0.4 -0.853 23.6 171.5 -91.1 120.1 15.4 30.7 18.4 50 59 A E E - d 0 73B 20 22,-2.8 24,-2.0 -2,-0.7 -2,-0.1 -0.998 27.8-171.3-135.3 134.3 16.7 30.9 14.9 51 60 A I S S+ 0 0 115 -2,-0.4 2,-0.8 22,-0.2 -1,-0.1 0.686 70.0 78.1 -93.8 -24.1 19.5 33.1 13.4 52 61 A D > - 0 0 76 1,-0.1 3,-1.7 22,-0.1 -1,-0.1 -0.791 55.0-170.9 -97.8 104.4 19.1 32.3 9.7 53 62 A K G > S+ 0 0 119 -2,-0.8 3,-1.5 1,-0.3 -1,-0.1 0.647 79.0 76.8 -68.4 -16.4 16.1 34.2 8.2 54 63 A S G 3 S+ 0 0 83 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.653 86.5 64.9 -65.1 -13.8 16.4 32.2 4.9 55 64 A L G X> + 0 0 13 -3,-1.7 3,-1.3 1,-0.2 4,-1.1 0.400 68.7 105.8 -89.1 0.8 14.8 29.3 6.8 56 65 A E H <> + 0 0 67 -3,-1.5 4,-3.2 1,-0.3 5,-0.2 0.769 66.7 65.7 -55.6 -36.6 11.5 31.3 7.3 57 66 A P H 3> S+ 0 0 84 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.883 101.2 51.7 -53.7 -37.9 9.6 29.2 4.7 58 67 A Y H <> S+ 0 0 89 -3,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.937 112.7 45.0 -61.8 -44.9 10.0 26.2 7.0 59 68 A A H X S+ 0 0 1 -4,-1.1 4,-2.3 2,-0.2 5,-0.2 0.927 111.9 51.3 -63.7 -47.8 8.5 28.3 9.9 60 69 A N H X S+ 0 0 75 -4,-3.2 4,-0.7 1,-0.2 -1,-0.2 0.906 110.1 49.1 -57.1 -46.4 5.6 29.7 7.8 61 70 A K H >X S+ 0 0 47 -4,-2.1 4,-0.6 -5,-0.2 3,-0.5 0.870 111.2 50.2 -61.1 -40.3 4.5 26.3 6.6 62 71 A L H >X S+ 0 0 15 -4,-1.7 4,-2.1 1,-0.2 3,-1.3 0.901 104.8 57.1 -65.4 -41.0 4.6 24.9 10.2 63 72 A K H 3< S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.636 99.8 59.9 -67.5 -17.4 2.5 27.8 11.5 64 73 A E H << S+ 0 0 164 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.749 115.2 34.6 -75.7 -25.9 -0.2 26.9 9.0 65 74 A L H << S+ 0 0 120 -3,-1.3 2,-0.4 -4,-0.6 -2,-0.2 0.680 123.1 41.6-101.9 -22.7 -0.4 23.5 10.6 66 75 A Y < - 0 0 44 -4,-2.1 3,-0.4 -5,-0.1 -1,-0.2 -0.990 51.4-166.2-132.4 135.1 0.3 24.4 14.3 67 76 A N S S+ 0 0 165 -2,-0.4 -4,-0.1 1,-0.2 -1,-0.1 0.420 82.7 68.9 -94.7 2.2 -1.0 27.3 16.3 68 77 A N S S+ 0 0 20 -25,-0.1 -22,-2.5 -28,-0.1 2,-0.5 0.004 71.8 102.0-116.7 27.5 1.5 26.8 19.2 69 78 A I E -d 46 0B 16 -3,-0.4 2,-0.5 -24,-0.2 -22,-0.2 -0.949 43.8-173.8-113.6 129.6 4.9 27.7 17.6 70 79 A E E -d 47 0B 80 -24,-2.6 -22,-2.5 -2,-0.5 2,-0.4 -0.985 12.3-151.1-122.7 121.3 6.6 31.1 18.2 71 80 A I E -d 48 0B 19 -2,-0.5 2,-0.6 -24,-0.2 -22,-0.2 -0.768 4.5-162.6 -92.3 134.9 9.8 31.9 16.2 72 81 A I E -d 49 0B 28 -24,-3.6 -22,-2.8 -2,-0.4 2,-0.8 -0.969 11.2-150.0-116.2 111.1 12.4 34.2 17.7 73 82 A W E +d 50 0B 77 -2,-0.6 2,-0.3 -24,-0.2 -22,-0.2 -0.738 55.5 63.2 -83.8 113.0 14.7 35.5 15.1 74 83 A G S S- 0 0 23 -24,-2.0 2,-0.6 -2,-0.8 -22,-0.1 -0.990 87.2 -43.6 164.6-168.4 18.1 36.1 16.7 75 84 A D >> - 0 0 50 -2,-0.3 3,-2.6 1,-0.1 4,-2.5 -0.812 36.0-147.9 -98.3 116.3 21.2 34.9 18.4 76 85 A A T 34 S+ 0 0 10 -2,-0.6 -1,-0.1 1,-0.3 5,-0.1 0.706 100.3 54.4 -57.6 -22.4 20.6 32.3 21.2 77 86 A L T 34 S+ 0 0 80 1,-0.1 -1,-0.3 3,-0.1 -2,-0.0 0.519 116.1 38.6 -85.7 -6.8 23.6 33.6 23.1 78 87 A K T <4 S+ 0 0 168 -3,-2.6 -2,-0.2 2,-0.0 -1,-0.1 0.695 89.7 101.1-111.8 -35.8 22.2 37.1 23.0 79 88 A V S < S- 0 0 36 -4,-2.5 2,-1.1 1,-0.1 3,-0.1 -0.267 81.0-116.6 -56.4 134.0 18.5 36.5 23.6 80 89 A D > - 0 0 78 1,-0.2 3,-1.4 2,-0.1 4,-0.1 -0.649 29.7-172.1 -75.4 100.2 17.3 37.2 27.1 81 90 A L G > S+ 0 0 14 -2,-1.1 3,-1.6 1,-0.3 -1,-0.2 0.740 76.0 74.4 -68.5 -21.6 16.2 33.8 28.2 82 91 A N G 3 S+ 0 0 125 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.762 90.8 59.0 -58.2 -26.9 14.7 35.2 31.5 83 92 A K G < S+ 0 0 169 -3,-1.4 2,-0.4 2,-0.0 -1,-0.3 0.467 91.6 83.7 -85.1 -3.3 11.9 36.7 29.5 84 93 A L < - 0 0 23 -3,-1.6 2,-0.3 -4,-0.1 -58,-0.1 -0.831 69.3-143.2-108.5 143.7 10.7 33.3 28.1 85 94 A D + 0 0 100 -2,-0.4 2,-0.2 -60,-0.1 -61,-0.1 -0.215 48.8 134.7-101.7 44.9 8.3 30.9 29.9 86 95 A F - 0 0 7 -2,-0.3 -61,-0.2 1,-0.1 3,-0.1 -0.541 35.7-171.0 -87.4 156.2 9.7 27.5 28.9 87 96 A N S S+ 0 0 32 -63,-2.7 24,-2.9 1,-0.2 25,-1.0 0.480 72.8 38.4-116.3 -8.7 10.3 24.5 31.3 88 97 A K E -ce 25 112B 14 -64,-2.1 -62,-2.8 23,-0.2 2,-0.4 -0.949 61.9-151.9-139.1 157.6 12.2 22.2 28.9 89 98 A V E +ce 26 113B 0 23,-1.6 25,-2.5 -2,-0.3 2,-0.4 -0.999 14.3 174.4-131.6 129.4 14.8 22.6 26.1 90 99 A V E + e 0 114B 1 -64,-2.2 2,-0.3 -2,-0.4 -62,-0.2 -0.977 22.9 140.0-138.3 124.0 15.1 20.2 23.2 91 100 A A E - e 0 115B 5 23,-1.8 25,-2.4 -2,-0.4 2,-0.8 -0.998 57.7-129.7-162.2 146.0 17.6 20.9 20.4 92 101 A N E - e 0 116B 38 -64,-0.4 25,-0.1 -2,-0.3 -88,-0.1 -0.928 53.3-143.8 -91.5 102.5 20.2 19.9 17.9 93 102 A L - 0 0 8 23,-1.1 2,-0.5 -2,-0.8 -64,-0.1 -0.370 15.6-111.0 -72.4 145.8 22.6 22.6 19.0 94 103 A P > - 0 0 53 0, 0.0 3,-1.3 0, 0.0 4,-0.2 -0.665 38.0-135.4 -64.1 122.7 24.9 24.6 16.7 95 104 A Y G > S+ 0 0 133 -2,-0.5 3,-1.7 1,-0.3 4,-0.3 0.771 95.5 65.3 -64.3 -31.0 28.1 23.0 18.0 96 105 A Q G 3 S+ 0 0 137 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.846 104.4 48.0 -57.7 -33.2 30.3 26.1 18.3 97 106 A I G <> S+ 0 0 27 -3,-1.3 4,-2.6 1,-0.2 5,-0.4 0.419 79.7 114.5 -86.6 3.8 27.9 27.4 21.0 98 107 A S H <> S+ 0 0 6 -3,-1.7 4,-1.5 -4,-0.2 -1,-0.2 0.828 78.3 37.0 -45.5 -53.5 27.9 24.1 23.0 99 108 A S H > S+ 0 0 47 -3,-0.3 4,-2.0 -4,-0.3 3,-0.3 0.991 119.3 42.1 -71.0 -60.4 29.6 25.4 26.1 100 109 A P H > S+ 0 0 67 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.887 115.8 50.7 -58.8 -38.7 28.3 28.9 26.6 101 110 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.909 107.1 54.6 -61.3 -40.8 24.7 27.9 25.8 102 111 A T H X S+ 0 0 2 -4,-1.5 4,-2.3 -5,-0.4 -1,-0.2 0.938 114.0 39.7 -60.8 -47.5 24.8 24.9 28.2 103 112 A F H X S+ 0 0 56 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.878 112.8 55.2 -73.3 -35.3 25.7 27.1 31.1 104 113 A K H X S+ 0 0 42 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.909 112.2 45.0 -59.6 -42.3 23.4 30.0 30.1 105 114 A L H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.923 112.9 48.5 -67.1 -47.3 20.5 27.5 30.1 106 115 A I H < S+ 0 0 20 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.922 111.4 51.6 -59.6 -44.4 21.5 25.9 33.4 107 116 A K H < S+ 0 0 193 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.927 111.6 47.0 -54.1 -48.5 21.8 29.4 35.0 108 117 A R H < S- 0 0 63 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.874 113.8-132.9 -60.5 -41.0 18.3 30.3 33.6 109 118 A G < - 0 0 25 -4,-2.5 2,-0.3 -5,-0.1 -2,-0.1 0.125 30.6-176.3 96.9 147.6 17.0 26.9 35.0 110 119 A F - 0 0 15 -4,-0.1 -22,-0.2 1,-0.1 3,-0.1 -0.955 34.6-121.6-167.0 158.3 14.8 24.2 33.4 111 120 A D S S- 0 0 99 -24,-2.9 2,-0.3 1,-0.3 -23,-0.2 0.907 92.2 -13.8 -67.1 -46.4 13.1 21.0 34.4 112 121 A L E -e 88 0B 20 -25,-1.0 -23,-1.6 60,-0.2 2,-0.4 -0.972 56.7-162.5-161.0 138.3 14.8 18.9 31.7 113 122 A A E -eF 89 171B 0 58,-2.6 58,-3.3 -2,-0.3 2,-0.4 -0.983 3.3-168.7-125.4 146.2 16.9 19.4 28.5 114 123 A V E +eF 90 170B 1 -25,-2.5 -23,-1.8 -2,-0.4 2,-0.4 -0.953 26.9 168.6-130.4 109.4 17.6 16.9 25.8 115 124 A L E -eF 91 169B 1 54,-2.6 54,-2.9 -2,-0.4 2,-0.5 -0.941 32.8-128.6-134.0 141.7 20.4 18.4 23.5 116 125 A M E +eF 92 168B 7 -25,-2.4 -23,-1.1 -2,-0.4 2,-0.3 -0.794 33.5 167.9 -90.2 131.4 22.6 17.1 20.7 117 126 A Y E - F 0 167B 3 50,-2.4 50,-2.5 -2,-0.5 2,-0.1 -0.871 46.8 -80.6-128.0 166.2 26.3 17.8 21.0 118 127 A Q E > - F 0 166B 61 -2,-0.3 4,-2.3 48,-0.3 3,-0.4 -0.450 50.3-114.3 -59.9 142.5 29.4 16.5 19.3 119 128 A Y H > S+ 0 0 62 46,-2.7 4,-2.7 1,-0.2 5,-0.2 0.885 112.9 52.4 -52.2 -46.0 30.3 13.1 20.7 120 129 A E H > S+ 0 0 108 45,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.889 110.4 48.9 -62.7 -38.9 33.6 14.1 22.3 121 130 A F H > S+ 0 0 28 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.924 111.3 50.1 -60.9 -48.3 31.9 17.0 24.1 122 131 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.918 108.0 52.8 -57.4 -45.4 29.2 14.7 25.4 123 132 A K H X S+ 0 0 45 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.905 110.7 48.3 -57.8 -40.2 31.7 12.2 26.6 124 133 A R H >< S+ 0 0 109 -4,-1.8 3,-0.8 -5,-0.2 11,-0.4 0.925 108.1 54.4 -66.7 -43.3 33.4 15.0 28.6 125 134 A M H 3< S+ 0 0 0 -4,-2.6 17,-0.3 1,-0.2 -1,-0.2 0.881 119.2 32.2 -55.8 -41.4 30.1 16.2 30.0 126 135 A V H 3< S+ 0 0 44 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.373 86.8 137.1-100.7 1.5 29.2 12.7 31.4 127 136 A A << - 0 0 9 -3,-0.8 2,-0.2 -4,-0.7 8,-0.1 -0.171 53.4-122.1 -59.9 138.5 32.7 11.5 32.2 128 137 A A > - 0 0 61 1,-0.1 3,-1.5 6,-0.1 6,-0.3 -0.510 38.5 -87.8 -79.1 148.6 33.2 9.7 35.6 129 138 A A T 3 S+ 0 0 39 1,-0.2 114,-0.2 -2,-0.2 -1,-0.1 -0.167 111.4 22.6 -51.7 144.1 35.8 11.0 38.1 130 139 A G T 3 S+ 0 0 37 112,-2.4 -1,-0.2 114,-0.3 2,-0.2 0.473 97.2 117.7 78.3 2.5 39.3 9.7 37.6 131 140 A T S X S- 0 0 56 -3,-1.5 3,-1.3 111,-0.2 -1,-0.3 -0.621 79.2-104.3-100.3 165.2 38.9 8.8 34.0 132 141 A K T 3 S+ 0 0 172 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.744 118.6 45.6 -58.9 -32.3 40.7 10.2 31.0 133 142 A D T 3 S+ 0 0 38 -5,-0.1 -1,-0.3 -10,-0.1 5,-0.2 0.563 84.8 114.8 -87.8 -11.1 37.8 12.4 29.7 134 143 A Y < + 0 0 3 -3,-1.3 2,-0.2 -6,-0.3 -9,-0.1 -0.438 42.1 127.3 -67.6 127.2 37.0 13.8 33.2 135 144 A G S > S- 0 0 17 -11,-0.4 4,-2.1 -2,-0.2 5,-0.2 -0.864 71.5 -54.9-160.9-169.4 37.7 17.6 33.4 136 145 A R H > S+ 0 0 130 -2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.871 129.2 51.2 -51.6 -42.4 36.5 21.0 34.2 137 146 A L H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.918 107.0 54.2 -64.2 -43.0 33.4 20.6 32.0 138 147 A S H > S+ 0 0 0 -3,-0.2 4,-2.7 -5,-0.2 -1,-0.2 0.932 115.6 38.9 -52.8 -50.8 32.5 17.3 33.6 139 148 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.895 111.8 57.0 -73.0 -39.8 32.5 18.9 37.1 140 149 A A H < S+ 0 0 10 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.867 118.4 33.2 -59.7 -36.7 30.9 22.2 35.9 141 150 A V H >X S+ 0 0 0 -4,-2.3 3,-1.8 -5,-0.2 4,-1.4 0.923 118.4 49.0 -83.3 -52.2 27.9 20.3 34.6 142 151 A Q H 3< S+ 0 0 35 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.773 103.8 61.4 -66.4 -23.5 27.6 17.4 37.0 143 152 A S T 3< S+ 0 0 3 -4,-2.1 35,-0.3 -5,-0.2 -1,-0.3 0.642 118.8 30.1 -70.2 -15.7 27.8 19.7 40.0 144 153 A R T <4 S+ 0 0 35 -3,-1.8 30,-2.5 1,-0.3 2,-0.3 0.507 127.2 16.3-120.2 -12.0 24.6 21.3 38.7 145 154 A A E < -G 173 0B 1 -4,-1.4 2,-0.5 28,-0.3 -1,-0.3 -0.992 68.9-110.7-159.3 151.3 22.7 18.6 36.9 146 155 A D E -G 172 0B 77 26,-2.9 26,-3.0 -2,-0.3 2,-0.3 -0.835 45.2-174.6 -85.8 133.1 22.4 14.8 36.4 147 156 A V E +G 171 0B 26 -2,-0.5 2,-0.3 24,-0.2 24,-0.2 -0.912 15.0 165.0-129.3 152.1 23.5 14.0 32.8 148 157 A E E -G 170 0B 109 22,-1.3 22,-2.6 -2,-0.3 2,-0.6 -0.951 39.1-111.1-160.4 149.2 23.7 10.9 30.6 149 158 A I E -G 169 0B 54 -2,-0.3 20,-0.3 20,-0.2 3,-0.1 -0.766 25.8-172.0 -82.5 120.1 24.2 10.1 26.9 150 159 A V E - 0 0 45 18,-2.8 2,-0.3 -2,-0.6 -1,-0.2 0.897 65.4 -17.1 -75.5 -48.7 20.9 8.8 25.6 151 160 A A E -G 168 0B 13 17,-1.0 17,-2.6 2,-0.0 -1,-0.3 -0.989 59.1-115.1-158.8 149.6 22.3 7.7 22.2 152 161 A K E -G 167 0B 93 -2,-0.3 15,-0.3 15,-0.2 13,-0.0 -0.618 31.1-148.8 -78.0 148.6 25.2 8.1 19.8 153 162 A V E -G 166 0B 0 13,-3.0 13,-2.7 -2,-0.2 -34,-0.2 -0.953 8.9-141.1-127.7 112.8 24.2 9.8 16.5 154 163 A P > - 0 0 29 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.221 25.2-111.2 -73.1 159.0 26.0 8.9 13.3 155 164 A P G > S+ 0 0 22 0, 0.0 3,-2.8 0, 0.0 9,-0.1 0.879 113.9 70.7 -53.0 -36.1 27.0 11.4 10.6 156 165 A S G 3 S+ 0 0 72 1,-0.3 5,-0.0 5,-0.1 -151,-0.0 0.610 85.4 68.5 -59.5 -13.5 24.4 9.7 8.3 157 166 A A G < S+ 0 0 0 -3,-1.9 -152,-2.9 -152,-0.1 -151,-1.7 0.548 100.5 56.9 -79.5 -8.3 21.7 11.2 10.5 158 167 A F E < S-A 4 0A 5 -3,-2.8 -154,-0.2 -154,-0.2 -156,-0.1 -0.854 79.5-117.1-123.2 154.5 22.6 14.7 9.2 159 168 A Y E S+A 3 0A 164 -156,-2.3 -156,-2.6 -2,-0.3 2,-0.2 -0.985 103.2 29.4-137.3 134.2 22.9 16.6 6.0 160 169 A P S S- 0 0 59 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.702 110.8-114.3 -60.8 158.7 25.5 17.7 5.0 161 170 A K - 0 0 136 -2,-0.2 -5,-0.1 1,-0.1 -2,-0.1 -0.468 28.7-133.3 -69.2 129.3 27.3 14.9 6.8 162 171 A P - 0 0 30 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.212 16.9-116.0 -76.8 172.6 29.5 16.1 9.7 163 172 A K S S+ 0 0 104 2,-0.1 2,-0.3 -8,-0.0 -2,-0.1 0.708 92.7 27.9 -81.5 -23.2 33.0 14.9 10.3 164 173 A V S S- 0 0 70 -10,-0.1 2,-0.0 -9,-0.1 0, 0.0 -0.855 88.6 -87.7-134.5 165.7 32.2 13.3 13.6 165 174 A Y - 0 0 96 -2,-0.3 -46,-2.7 -47,-0.1 -45,-0.3 -0.328 34.8-149.2 -65.7 152.3 29.4 11.6 15.6 166 175 A S E -FG 118 153B 12 -13,-2.7 -13,-3.0 -48,-0.3 2,-0.3 -0.646 7.4-146.0-106.5 179.7 27.1 13.5 17.8 167 176 A A E -FG 117 152B 0 -50,-2.5 -50,-2.4 -15,-0.3 2,-0.5 -0.984 13.2-129.0-147.0 138.7 25.3 12.4 21.0 168 177 A I E -FG 116 151B 1 -17,-2.6 -18,-2.8 -2,-0.3 -17,-1.0 -0.792 31.4-166.4 -83.5 126.0 21.9 13.1 22.5 169 178 A V E -FG 115 149B 0 -54,-2.9 -54,-2.6 -2,-0.5 2,-0.5 -0.969 11.6-149.1-120.1 127.6 22.5 14.1 26.1 170 179 A K E -FG 114 148B 62 -22,-2.6 -22,-1.3 -2,-0.4 2,-0.5 -0.842 14.9-167.6 -96.0 130.9 19.7 14.4 28.7 171 180 A I E -FG 113 147B 1 -58,-3.3 -58,-2.6 -2,-0.5 -24,-0.2 -0.981 9.9-177.7-125.6 119.6 20.3 17.0 31.4 172 181 A K E - G 0 146B 111 -26,-3.0 -26,-2.9 -2,-0.5 -60,-0.2 -0.936 27.3-131.6-117.5 102.6 18.2 17.2 34.6 173 182 A P E - G 0 145B 38 0, 0.0 -28,-0.3 0, 0.0 2,-0.1 -0.201 24.7-176.9 -52.1 142.0 19.2 20.2 36.8 174 183 A N > + 0 0 51 -30,-2.5 4,-0.6 1,-0.1 3,-0.2 -0.611 14.1 167.3-147.7 77.2 19.7 19.2 40.5 175 184 A K H >> S+ 0 0 91 1,-0.2 4,-1.5 2,-0.1 3,-0.5 0.918 77.7 54.8 -57.0 -47.3 20.5 22.2 42.8 176 185 A G H 34 S+ 0 0 64 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.833 91.0 72.6 -57.3 -40.7 19.9 20.2 46.0 177 186 A K H 34 S+ 0 0 54 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.848 117.7 8.0 -48.4 -48.6 22.4 17.4 45.3 178 187 A Y H << S- 0 0 71 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.746 84.3-149.4-115.1 -28.6 25.7 19.3 45.8 179 188 A H < - 0 0 61 -4,-1.5 2,-0.4 -36,-0.2 -3,-0.1 0.962 9.3-142.5 58.2 94.2 24.8 22.8 47.2 180 189 A I - 0 0 33 -5,-0.2 3,-0.2 1,-0.1 -1,-0.1 -0.735 5.3-154.9 -95.4 126.4 27.3 25.4 46.1 181 190 A E S S+ 0 0 96 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.877 83.1 3.5 -65.1 -43.5 28.2 28.2 48.6 182 191 A N > - 0 0 49 1,-0.1 4,-2.5 2,-0.0 -1,-0.3 -0.909 60.7-155.1-154.2 115.6 29.2 30.8 46.1 183 192 A E H > S+ 0 0 93 -2,-0.3 4,-2.7 -3,-0.2 5,-0.2 0.900 95.7 51.1 -65.0 -46.5 28.9 30.4 42.3 184 193 A N H > S+ 0 0 123 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.933 113.9 44.7 -54.3 -49.6 31.6 32.9 41.4 185 194 A F H > S+ 0 0 24 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.900 111.1 52.9 -65.4 -42.2 34.1 31.3 43.8 186 195 A F H X S+ 0 0 2 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.954 110.4 48.3 -58.5 -48.5 33.2 27.8 42.7 187 196 A D H X S+ 0 0 63 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.901 113.6 47.1 -56.6 -44.6 33.9 28.8 39.0 188 197 A D H X S+ 0 0 44 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.926 112.5 50.1 -63.0 -44.4 37.2 30.4 40.0 189 198 A F H X S+ 0 0 2 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.935 111.6 47.4 -61.1 -49.2 38.1 27.3 42.0 190 199 A L H X S+ 0 0 2 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.912 111.4 50.9 -58.3 -45.9 37.3 24.9 39.1 191 200 A R H X S+ 0 0 70 -4,-2.5 4,-0.7 -5,-0.2 -2,-0.2 0.941 112.4 48.5 -57.6 -45.4 39.3 27.1 36.7 192 201 A A H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.940 114.6 41.0 -62.6 -52.8 42.3 27.1 39.0 193 202 A I H >< S+ 0 0 1 -4,-2.5 3,-1.7 1,-0.2 6,-0.3 0.913 112.5 53.6 -68.6 -40.9 42.5 23.3 39.8 194 203 A F H >< S+ 0 0 28 -4,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.520 90.4 75.1 -76.0 -3.3 41.8 22.1 36.2 195 204 A Q T << S+ 0 0 88 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.576 113.1 27.8 -72.8 -10.7 44.6 24.3 34.8 196 205 A H T X S+ 0 0 53 -3,-1.7 3,-1.9 -4,-0.2 45,-0.4 -0.444 77.6 164.1-144.4 63.7 46.8 21.5 36.4 197 206 A R T < S+ 0 0 73 -3,-0.6 45,-2.0 1,-0.3 46,-0.2 0.711 74.3 49.4 -67.1 -23.4 44.5 18.4 36.3 198 207 A N T 3 S+ 0 0 98 43,-0.2 -1,-0.3 42,-0.1 2,-0.2 0.307 98.8 84.7 -96.1 7.7 47.3 15.9 36.9 199 208 A K S < S- 0 0 84 -3,-1.9 42,-2.7 -6,-0.3 43,-0.2 -0.683 93.2 -89.1 -99.1 162.2 48.7 17.7 39.9 200 209 A S B > -H 240 0C 19 40,-0.3 4,-2.8 -2,-0.2 40,-0.3 -0.348 38.6-115.0 -61.5 152.9 47.6 17.5 43.5 201 210 A V H > S+ 0 0 0 38,-2.1 4,-2.8 35,-0.4 5,-0.2 0.915 118.1 55.7 -55.8 -44.7 44.8 20.0 44.3 202 211 A R H > S+ 0 0 74 35,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.944 111.5 40.9 -52.9 -55.8 47.3 21.7 46.7 203 212 A K H > S+ 0 0 107 34,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.871 113.9 52.7 -63.9 -39.0 49.9 22.2 44.0 204 213 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.915 109.1 50.6 -61.0 -44.8 47.4 23.2 41.3 205 214 A L H < S+ 0 0 2 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.865 112.6 46.0 -62.9 -38.5 46.0 25.9 43.7 206 215 A I H >< S+ 0 0 29 -4,-1.8 3,-1.5 -5,-0.2 4,-0.2 0.943 114.1 47.5 -69.2 -48.6 49.5 27.3 44.4 207 216 A D H 3< S+ 0 0 70 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.910 122.3 36.0 -56.7 -44.7 50.4 27.3 40.7 208 217 A S T >< S+ 0 0 7 -4,-2.7 3,-1.8 -5,-0.2 4,-0.5 -0.033 78.7 127.1 -98.4 28.6 47.1 29.0 39.8 209 218 A S G X > + 0 0 1 -3,-1.5 5,-1.7 1,-0.3 3,-1.6 0.840 65.8 63.4 -59.7 -34.6 46.9 31.1 42.9 210 219 A K G > 5S+ 0 0 159 -3,-0.3 3,-1.1 1,-0.3 -1,-0.3 0.753 91.4 66.1 -62.2 -24.1 46.4 34.3 40.9 211 220 A E G < 5S+ 0 0 64 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.754 108.4 39.4 -67.5 -24.8 43.1 32.8 39.6 212 221 A L G < 5S- 0 0 13 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.199 123.8-109.1-105.3 10.8 41.8 33.1 43.2 213 222 A N T < 5S+ 0 0 138 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.835 80.0 116.5 61.7 42.0 43.6 36.5 43.6 214 223 A Y < - 0 0 63 -5,-1.7 -1,-0.2 -6,-0.1 -2,-0.2 -0.948 64.4-117.7-125.9 151.6 46.4 35.4 45.9 215 224 A N > - 0 0 74 -2,-0.3 4,-2.5 -3,-0.1 5,-0.2 -0.429 35.7-104.8 -81.0 164.9 50.1 35.3 45.4 216 225 A K H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.862 120.3 48.8 -61.7 -39.4 51.9 31.9 45.5 217 226 A D H > S+ 0 0 132 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 111.8 49.2 -64.2 -48.3 53.4 32.5 49.0 218 227 A E H > S+ 0 0 95 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.919 112.4 48.6 -51.8 -50.7 50.0 33.6 50.4 219 228 A M H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.891 107.7 53.6 -61.9 -43.9 48.4 30.5 48.9 220 229 A K H X S+ 0 0 109 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.933 114.6 41.8 -55.9 -48.0 51.0 28.1 50.3 221 230 A K H X S+ 0 0 44 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.897 112.6 54.1 -66.3 -45.4 50.5 29.5 53.8 222 231 A I H X S+ 0 0 26 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.941 110.4 47.5 -49.4 -50.6 46.7 29.6 53.4 223 232 A L H X S+ 0 0 2 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.838 108.2 53.7 -69.2 -33.9 46.7 25.9 52.4 224 233 A E H X S+ 0 0 96 -4,-1.7 4,-0.9 -5,-0.2 -1,-0.2 0.945 114.4 42.2 -61.3 -46.7 48.9 24.9 55.3 225 234 A D H >< S+ 0 0 96 -4,-2.3 3,-0.6 2,-0.2 -2,-0.2 0.918 114.4 51.0 -64.8 -47.0 46.4 26.6 57.7 226 235 A F H >< S+ 0 0 2 -4,-3.0 3,-2.0 1,-0.2 4,-0.5 0.893 104.8 57.3 -56.0 -46.7 43.4 25.1 55.8 227 236 A L H 3< S+ 0 0 46 -4,-2.6 7,-0.4 1,-0.3 3,-0.3 0.768 99.3 61.3 -57.4 -30.1 44.9 21.6 55.9 228 237 A N T << S+ 0 0 124 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.521 84.3 78.8 -76.0 -4.8 44.9 21.9 59.7 229 238 A T S < S- 0 0 76 -3,-2.0 2,-0.3 1,-0.3 -1,-0.2 0.920 111.1 -18.5 -74.7 -43.2 41.1 22.3 60.0 230 239 A N > - 0 0 51 -4,-0.5 4,-1.2 -3,-0.3 3,-0.4 -0.982 58.8-112.7-157.2 163.9 40.3 18.6 59.6 231 240 A S H > S+ 0 0 61 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.780 110.6 62.9 -66.0 -29.3 41.8 15.4 58.4 232 241 A E H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 101.9 51.0 -62.7 -44.2 39.4 15.1 55.4 233 242 A I H > S+ 0 0 1 -3,-0.4 4,-3.0 2,-0.2 5,-0.3 0.900 106.4 54.9 -57.5 -47.1 40.7 18.3 53.9 234 243 A K H X S+ 0 0 84 -4,-1.2 4,-1.5 -7,-0.4 -1,-0.2 0.937 111.5 43.5 -53.1 -51.3 44.3 17.1 54.1 235 244 A N H X S+ 0 0 92 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.870 114.6 50.2 -67.9 -39.2 43.6 13.9 52.2 236 245 A L H >< S+ 0 0 27 -4,-2.3 3,-1.2 1,-0.2 -35,-0.4 0.950 111.6 46.2 -60.2 -51.5 41.4 15.7 49.6 237 246 A I H 3< S+ 0 0 0 -4,-3.0 -35,-2.9 1,-0.3 -34,-0.3 0.738 109.0 56.0 -72.0 -21.4 44.0 18.4 48.8 238 247 A N H 3< S+ 0 0 82 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.582 93.2 90.8 -80.4 -13.9 46.9 15.9 48.6 239 248 A E S << S- 0 0 82 -3,-1.2 -38,-2.1 -4,-0.5 -37,-0.2 -0.518 91.8 -92.7 -82.8 153.0 45.0 13.9 45.9 240 249 A K B >> -H 200 0C 72 -40,-0.3 3,-1.8 -2,-0.2 4,-0.6 -0.406 35.2-122.6 -63.2 136.6 45.3 14.6 42.1 241 250 A V G >4 S+ 0 0 0 -42,-2.7 3,-1.5 -45,-0.4 -43,-0.2 0.886 108.6 50.9 -46.4 -51.6 42.7 17.0 40.9 242 251 A F G 34 S+ 0 0 24 -45,-2.0 -112,-2.4 1,-0.3 -1,-0.3 0.593 103.3 61.2 -73.5 -9.4 41.2 14.7 38.2 243 252 A K G <4 S+ 0 0 106 -3,-1.8 -1,-0.3 -46,-0.2 2,-0.2 0.567 81.3 100.1 -90.7 -12.5 40.8 11.9 40.8 244 253 A L S << S- 0 0 5 -3,-1.5 -114,-0.3 -4,-0.6 2,-0.1 -0.527 74.5-123.0 -73.1 139.6 38.4 13.8 43.1 245 254 A S > - 0 0 40 -2,-0.2 4,-2.3 -116,-0.1 5,-0.2 -0.360 24.1-109.4 -71.5 161.7 34.7 13.1 42.7 246 255 A V H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.927 120.8 53.9 -56.2 -46.6 32.2 15.8 41.9 247 256 A K H > S+ 0 0 133 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.918 110.5 46.6 -53.0 -47.0 30.8 15.6 45.5 248 257 A D H > S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.846 110.1 51.4 -71.3 -35.6 34.3 16.1 46.9 249 258 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.923 112.7 46.5 -64.9 -43.2 35.2 19.0 44.7 250 259 A V H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 -69,-0.2 0.948 115.2 45.6 -63.2 -50.2 32.0 20.8 45.7 251 260 A N H X S+ 0 0 62 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.942 114.0 49.1 -56.3 -51.3 32.5 20.1 49.4 252 261 A L H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.931 112.7 46.9 -55.8 -50.3 36.2 21.1 49.3 253 262 A S H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.907 112.4 50.8 -60.0 -42.7 35.4 24.4 47.4 254 263 A N H X S+ 0 0 15 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.931 113.2 44.7 -58.8 -48.4 32.6 25.2 49.9 255 264 A E H X S+ 0 0 57 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.880 113.7 50.7 -64.7 -40.0 34.8 24.6 52.9 256 265 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.904 108.7 51.5 -64.2 -42.8 37.7 26.6 51.3 257 266 A Y H X S+ 0 0 46 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.961 111.6 46.5 -57.9 -53.5 35.3 29.5 50.5 258 267 A R H < S+ 0 0 100 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.905 112.0 52.2 -55.2 -44.0 34.1 29.6 54.2 259 268 A F H >< S+ 0 0 56 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.863 113.4 43.2 -60.3 -40.4 37.7 29.4 55.3 260 269 A L H >< S+ 0 0 17 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.811 101.5 67.0 -77.3 -32.5 38.8 32.3 53.1 261 270 A Q T 3< S+ 0 0 131 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.469 86.6 73.1 -66.7 -2.3 35.7 34.4 54.1 262 271 A N T < 0 0 137 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.2 0.497 360.0 360.0 -81.9 -8.1 37.3 34.5 57.5 263 272 A R < 0 0 134 -3,-2.3 -2,-0.1 0, 0.0 -3,-0.1 0.485 360.0 360.0 55.4 360.0 39.9 36.9 56.0