==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-MAR-09 3GRR . COMPND 2 MOLECULE: DIMETHYLADENOSINE TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR J.N.SCARSDALE,F.N.MUSAYEV,J.P.RIFE . 264 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13070.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 75.0 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 8.3 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 . 18 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 34.8 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 3 2 1 1 1 2 0 0 0 1 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 0 126 0, 0.0 2,-0.8 0, 0.0 158,-0.0 0.000 360.0 360.0 360.0 127.2 25.0 21.5 9.3 2 11 A C - 0 0 46 156,-0.1 2,-0.2 29,-0.0 159,-0.1 -0.810 360.0-153.7 -94.6 105.7 24.4 17.7 9.5 3 12 A F E -A 159 0A 27 156,-1.9 156,-2.8 -2,-0.8 2,-0.6 -0.568 18.2-117.0 -83.4 142.0 20.7 17.1 9.7 4 13 A L E +A 158 0A 5 261,-1.7 154,-0.3 -2,-0.2 30,-0.2 -0.673 39.1 167.6 -78.0 114.7 19.3 14.0 11.4 5 14 A I + 0 0 91 152,-2.3 2,-0.8 -2,-0.6 153,-0.2 0.528 47.3 91.5-107.5 -9.8 17.5 12.0 8.6 6 15 A D >> - 0 0 45 151,-1.6 4,-1.5 1,-0.2 3,-0.9 -0.809 57.1-162.1 -94.6 111.5 16.9 8.6 10.4 7 16 A K H 3> S+ 0 0 51 -2,-0.8 4,-2.9 1,-0.2 5,-0.2 0.713 86.3 69.8 -64.6 -23.3 13.5 8.6 12.1 8 17 A N H 3> S+ 0 0 116 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.897 103.4 42.1 -62.5 -38.0 14.7 5.7 14.3 9 18 A F H <> S+ 0 0 33 -3,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.865 111.7 54.4 -77.0 -36.0 17.1 7.9 16.1 10 19 A V H X S+ 0 0 2 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.957 109.7 49.1 -53.2 -49.9 14.5 10.7 16.3 11 20 A N H X S+ 0 0 79 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.881 108.6 52.6 -59.0 -41.7 12.2 8.2 17.9 12 21 A K H X S+ 0 0 107 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.903 111.3 45.9 -63.1 -43.4 14.8 7.1 20.4 13 22 A A H X S+ 0 0 10 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.921 115.6 46.0 -65.0 -46.2 15.5 10.7 21.6 14 23 A V H ><>S+ 0 0 14 -4,-2.5 3,-0.7 2,-0.2 5,-0.6 0.939 112.2 50.1 -64.4 -48.3 11.8 11.5 21.9 15 24 A E H ><5S+ 0 0 149 -4,-3.0 3,-1.4 1,-0.2 -1,-0.2 0.892 109.1 52.6 -54.4 -42.5 10.9 8.3 23.7 16 25 A S H 3<5S+ 0 0 9 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.739 99.1 64.5 -66.7 -25.9 13.8 8.9 26.2 17 26 A A T <<5S- 0 0 2 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.524 95.9-143.7 -75.5 -8.0 12.4 12.4 26.8 18 27 A N T < 5 - 0 0 120 -3,-1.4 -3,-0.1 -4,-0.3 -2,-0.1 0.874 29.5-165.7 45.7 51.2 9.2 10.8 28.3 19 28 A L < + 0 0 25 -5,-0.6 2,-0.3 2,-0.0 -1,-0.1 -0.360 18.7 173.4 -74.3 144.2 6.9 13.5 26.9 20 29 A T > - 0 0 70 -2,-0.1 3,-2.0 0, 0.0 24,-0.7 -0.902 50.2 -95.9-135.2 171.9 3.3 14.2 27.8 21 30 A K T 3 S+ 0 0 110 -2,-0.3 22,-0.1 1,-0.3 -2,-0.0 0.443 122.1 60.7 -71.0 3.5 0.9 16.9 26.9 22 31 A D T 3 S+ 0 0 140 22,-0.1 -1,-0.3 2,-0.0 2,-0.3 0.482 86.8 94.6-101.8 -7.5 1.8 18.8 30.1 23 32 A D < - 0 0 15 -3,-2.0 21,-2.5 19,-0.2 22,-0.9 -0.621 60.2-154.9 -84.6 143.3 5.5 19.1 29.0 24 33 A V E -b 45 0B 29 -2,-0.3 63,-2.3 20,-0.2 64,-2.0 -0.988 18.6-154.0-118.0 122.2 6.9 22.3 27.3 25 34 A V E -bc 46 88B 0 20,-2.5 22,-2.6 -2,-0.5 2,-0.5 -0.812 11.3-153.8-108.0 133.6 10.0 21.5 25.2 26 35 A L E -bc 47 89B 0 62,-2.7 64,-2.0 -2,-0.4 2,-0.4 -0.926 15.5-167.8 -96.9 125.2 12.8 23.7 24.1 27 36 A E E -b 48 0B 0 20,-3.6 22,-2.5 -2,-0.5 2,-0.6 -0.946 12.3-148.2-111.3 136.0 14.6 22.7 20.9 28 37 A I E S+b 49 0B 3 -2,-0.4 64,-0.4 20,-0.2 22,-0.2 -0.926 72.5 9.8-100.5 116.6 17.9 24.1 19.8 29 38 A G - 0 0 0 20,-3.6 63,-0.2 -2,-0.6 21,-0.2 0.478 61.0-141.8 88.3 132.5 18.1 24.2 16.0 30 39 A L > + 0 0 1 1,-0.1 3,-1.6 235,-0.1 6,-0.4 0.873 29.7 167.3 -90.3 -45.1 15.3 23.5 13.5 31 40 A G T 3 S- 0 0 0 1,-0.3 -1,-0.1 2,-0.1 27,-0.1 -0.376 79.6 -27.9 56.2-138.1 16.9 21.6 10.6 32 41 A K T 3 S- 0 0 98 233,-0.5 -1,-0.3 -28,-0.1 -2,-0.0 0.511 91.0-113.9 -78.7 -8.2 14.2 20.1 8.4 33 42 A G S <> S+ 0 0 1 -3,-1.6 4,-2.1 3,-0.0 -2,-0.1 0.690 77.1 132.2 83.7 19.7 11.9 19.9 11.4 34 43 A I H > S+ 0 0 65 2,-0.2 4,-1.1 -4,-0.2 5,-0.1 0.939 82.1 36.6 -68.9 -47.4 11.8 16.1 11.6 35 44 A L H > S+ 0 0 6 -5,-0.2 4,-2.2 2,-0.2 5,-0.2 0.891 114.2 59.0 -64.3 -43.5 12.5 16.2 15.3 36 45 A T H > S+ 0 0 0 -6,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.894 103.0 52.1 -54.4 -44.0 10.4 19.3 15.7 37 46 A E H X S+ 0 0 60 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.900 109.0 49.1 -62.8 -41.5 7.3 17.6 14.3 38 47 A E H X S+ 0 0 42 -4,-1.1 4,-1.3 1,-0.2 -1,-0.2 0.885 112.0 48.7 -68.5 -38.0 7.7 14.7 16.8 39 48 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.913 110.6 51.7 -64.4 -42.7 8.0 17.1 19.7 40 49 A A H < S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.900 108.2 51.8 -62.1 -43.7 5.0 19.0 18.5 41 50 A K H < S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.854 121.7 30.5 -56.3 -37.0 2.9 15.8 18.3 42 51 A N H < S+ 0 0 69 -4,-1.3 -19,-0.2 -3,-0.2 -2,-0.2 0.711 108.5 63.6-106.8 -22.4 3.8 14.8 21.8 43 52 A A S < S- 0 0 0 -4,-2.7 -22,-0.2 -5,-0.1 -19,-0.2 -0.575 79.9-115.7-104.3 163.8 4.3 17.9 24.0 44 53 A K S S- 0 0 130 -21,-2.5 2,-0.3 -24,-0.7 -20,-0.2 0.934 95.3 -17.0 -57.6 -45.5 2.1 20.8 25.0 45 54 A K E -b 24 0B 50 -22,-0.9 -20,-2.5 -6,-0.1 2,-0.4 -0.982 60.3-144.0-163.0 149.6 4.2 23.2 23.1 46 55 A V E -bd 25 69B 0 22,-2.6 24,-2.7 -2,-0.3 2,-0.5 -0.991 3.9-159.8-127.1 129.5 7.7 23.5 21.5 47 56 A Y E -bd 26 70B 29 -22,-2.6 -20,-3.6 -2,-0.4 2,-0.5 -0.935 11.8-162.1 -99.0 134.0 10.0 26.5 21.3 48 57 A V E -bd 27 71B 0 22,-2.6 24,-3.5 -2,-0.5 2,-0.7 -0.977 6.2-159.1-118.7 119.0 12.6 26.3 18.6 49 58 A I E +bd 28 72B 3 -22,-2.5 -20,-3.6 -2,-0.5 2,-0.4 -0.896 22.6 171.8 -93.4 118.0 15.7 28.5 18.7 50 59 A E E - d 0 73B 0 22,-2.3 24,-2.1 -2,-0.7 25,-0.1 -0.997 26.9-166.5-134.1 128.7 17.1 28.7 15.2 51 60 A I S S+ 0 0 88 -2,-0.4 2,-0.8 22,-0.2 24,-0.1 0.691 71.8 77.4 -83.9 -21.9 20.0 31.0 13.9 52 61 A D > - 0 0 57 1,-0.1 3,-1.7 22,-0.1 -1,-0.1 -0.785 54.8-171.6-103.9 101.9 19.5 30.5 10.2 53 62 A K G > S+ 0 0 113 -2,-0.8 3,-1.9 1,-0.3 -1,-0.1 0.676 78.1 77.8 -65.7 -18.0 16.5 32.4 8.7 54 63 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.726 83.8 67.5 -60.9 -22.1 16.8 30.6 5.3 55 64 A L G X> + 0 0 15 -3,-1.7 4,-1.5 1,-0.2 3,-1.2 0.379 66.3 108.8 -82.2 4.5 15.1 27.7 7.0 56 65 A E H <> + 0 0 67 -3,-1.9 4,-3.4 1,-0.2 5,-0.3 0.876 66.8 64.8 -47.4 -48.4 11.9 29.7 7.3 57 66 A P H 3> S+ 0 0 85 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.852 104.3 46.7 -45.5 -40.4 10.1 27.6 4.6 58 67 A Y H <> S+ 0 0 86 -3,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.921 115.0 46.8 -66.9 -43.5 10.4 24.5 7.0 59 68 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 3,-0.3 0.950 112.2 49.1 -60.6 -53.7 9.1 26.6 9.9 60 69 A N H X S+ 0 0 71 -4,-3.4 4,-0.6 1,-0.2 -1,-0.2 0.896 111.7 49.2 -53.1 -46.7 6.2 28.1 7.9 61 70 A K H < S+ 0 0 59 -4,-1.9 4,-0.4 -5,-0.3 3,-0.3 0.801 109.3 53.5 -64.3 -32.3 5.1 24.7 6.7 62 71 A L H >X S+ 0 0 12 -4,-1.5 4,-2.6 -3,-0.3 3,-1.4 0.897 103.0 54.8 -71.0 -41.7 5.2 23.3 10.2 63 72 A K H 3< S+ 0 0 81 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.631 100.2 63.2 -67.9 -15.3 3.0 26.0 11.7 64 73 A E T 3< S+ 0 0 152 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.675 114.8 30.9 -77.9 -20.5 0.4 25.0 9.0 65 74 A L T <4 S+ 0 0 122 -3,-1.4 2,-0.4 -4,-0.4 -2,-0.2 0.706 125.2 42.2-107.1 -32.3 0.1 21.5 10.5 66 75 A Y < - 0 0 42 -4,-2.6 3,-0.4 -5,-0.1 -1,-0.3 -0.972 52.7-168.2-125.0 131.1 0.8 22.3 14.2 67 76 A N S S+ 0 0 161 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.459 81.6 69.1 -92.4 -0.5 -0.5 25.2 16.2 68 77 A N S S+ 0 0 21 -25,-0.1 -22,-2.6 -28,-0.0 2,-0.5 -0.053 73.0 102.2-111.9 28.6 1.9 24.6 19.2 69 78 A I E -d 46 0B 14 -3,-0.4 2,-0.5 -24,-0.2 -22,-0.2 -0.958 44.1-174.7-113.2 128.2 5.3 25.5 17.6 70 79 A E E -d 47 0B 89 -24,-2.7 -22,-2.6 -2,-0.5 2,-0.4 -0.990 11.5-152.6-120.1 126.7 7.0 28.9 18.3 71 80 A I E -d 48 0B 18 -2,-0.5 2,-0.6 -24,-0.2 -22,-0.2 -0.826 5.1-164.7 -97.6 135.2 10.2 29.8 16.5 72 81 A I E -d 49 0B 33 -24,-3.5 -22,-2.3 -2,-0.4 2,-0.7 -0.978 15.2-147.3-114.4 110.7 12.7 32.1 18.0 73 82 A W E +d 50 0B 68 -2,-0.6 2,-0.3 -24,-0.2 -22,-0.2 -0.722 55.3 70.0 -82.1 116.6 15.1 33.3 15.4 74 83 A G S S- 0 0 22 -24,-2.1 2,-0.5 -2,-0.7 -22,-0.1 -0.961 86.9 -52.8 163.6-175.3 18.5 33.9 16.9 75 84 A D >> - 0 0 46 -2,-0.3 3,-2.2 1,-0.1 4,-1.7 -0.800 37.6-145.5 -94.3 120.2 21.7 32.4 18.4 76 85 A A T 34 S+ 0 0 5 -2,-0.5 5,-0.1 1,-0.3 -1,-0.1 0.726 100.0 59.7 -61.7 -21.9 20.9 30.0 21.3 77 86 A L T 34 S+ 0 0 66 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.632 112.2 40.0 -76.8 -15.0 24.1 31.2 23.1 78 87 A K T <4 S+ 0 0 170 -3,-2.2 -2,-0.2 2,-0.0 -1,-0.2 0.697 90.2 103.5-104.6 -28.1 22.7 34.8 23.1 79 88 A V S < S- 0 0 28 -4,-1.7 2,-1.4 1,-0.1 3,-0.1 -0.329 76.0-121.5 -66.1 133.9 19.0 34.2 23.9 80 89 A D > - 0 0 83 1,-0.2 3,-1.7 -2,-0.1 -1,-0.1 -0.621 27.1-172.8 -78.2 94.8 17.8 34.9 27.5 81 90 A L G > S+ 0 0 5 -2,-1.4 3,-1.8 1,-0.3 -1,-0.2 0.710 76.0 74.9 -61.7 -23.4 16.5 31.5 28.5 82 91 A N G 3 S+ 0 0 115 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.766 90.4 58.7 -59.1 -26.6 15.1 33.0 31.7 83 92 A K G < S+ 0 0 167 -3,-1.7 2,-0.4 2,-0.0 -1,-0.3 0.418 95.2 80.0 -84.7 -1.5 12.3 34.6 29.6 84 93 A L < - 0 0 18 -3,-1.8 2,-0.7 -4,-0.1 -58,-0.0 -0.879 68.6-146.5-110.2 141.8 11.1 31.2 28.4 85 94 A D + 0 0 120 -2,-0.4 2,-0.3 -60,-0.1 -3,-0.1 -0.919 43.6 127.8-110.8 111.8 8.9 28.8 30.2 86 95 A F - 0 0 18 -2,-0.7 -61,-0.2 1,-0.1 3,-0.1 -0.956 41.8-157.8-152.7 158.8 9.7 25.2 29.4 87 96 A N S S+ 0 0 31 -63,-2.3 24,-3.1 -2,-0.3 25,-1.0 0.492 74.8 41.2-119.1 -8.9 10.5 22.1 31.5 88 97 A K E -ce 25 112B 17 -64,-2.0 -62,-2.7 22,-0.2 2,-0.4 -0.966 59.0-151.7-142.2 153.0 12.4 19.9 29.0 89 98 A V E +ce 26 113B 0 23,-1.7 25,-2.9 -2,-0.3 2,-0.4 -0.995 15.1 173.3-128.0 127.0 15.0 20.2 26.3 90 99 A V E + e 0 114B 2 -64,-2.0 2,-0.3 -2,-0.4 25,-0.2 -0.976 21.1 144.6-135.6 122.5 15.3 17.9 23.2 91 100 A A E - e 0 115B 4 23,-1.9 25,-2.5 -2,-0.4 2,-0.9 -0.997 55.4-134.4-161.0 144.8 17.8 18.7 20.5 92 101 A N E - e 0 116B 10 -64,-0.4 25,-0.1 -2,-0.3 -88,-0.1 -0.870 53.7-144.6 -92.6 92.0 20.3 17.6 17.9 93 102 A L - 0 0 8 -2,-0.9 2,-0.6 23,-0.8 -64,-0.1 -0.238 15.4-111.6 -67.9 142.7 22.8 20.2 19.0 94 103 A P > - 0 0 12 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.673 35.2-138.5 -63.5 117.9 25.2 22.1 16.7 95 104 A Y G > S+ 0 0 148 -2,-0.6 3,-1.5 1,-0.3 4,-0.3 0.785 95.5 66.8 -62.9 -29.1 28.4 20.4 18.0 96 105 A Q G 3 S+ 0 0 87 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.744 104.6 45.2 -61.0 -23.8 30.5 23.6 18.1 97 106 A I G <> S+ 0 0 26 -3,-2.0 4,-2.5 1,-0.1 5,-0.4 0.393 79.9 115.1 -98.7 4.7 28.2 25.0 20.9 98 107 A S H <> S+ 0 0 6 -3,-1.5 4,-1.6 -4,-0.3 -1,-0.1 0.804 76.9 38.9 -45.3 -53.3 28.2 21.8 23.0 99 108 A S H > S+ 0 0 49 -4,-0.3 4,-1.9 -3,-0.2 5,-0.3 0.985 118.9 41.5 -69.8 -59.9 30.0 23.0 26.1 100 109 A P H > S+ 0 0 70 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.893 116.7 49.6 -57.8 -41.8 28.6 26.5 26.6 101 110 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.896 106.8 56.3 -63.5 -40.1 25.0 25.5 25.7 102 111 A T H X S+ 0 0 1 -4,-1.6 4,-2.6 -5,-0.4 -1,-0.2 0.944 113.4 38.5 -58.7 -49.5 25.1 22.6 28.2 103 112 A F H X S+ 0 0 60 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.884 113.8 55.4 -71.9 -35.8 26.0 24.7 31.2 104 113 A K H X S+ 0 0 53 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.907 112.5 44.1 -59.0 -42.5 23.7 27.6 30.1 105 114 A L H X S+ 0 0 1 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.946 113.8 49.0 -67.0 -49.5 20.8 25.1 30.0 106 115 A I H < S+ 0 0 22 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.899 110.8 52.1 -56.1 -42.0 21.8 23.5 33.3 107 116 A K H < S+ 0 0 191 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.932 111.3 46.0 -58.5 -48.0 22.1 27.0 34.8 108 117 A R H < S- 0 0 65 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.894 112.8-136.0 -62.7 -41.1 18.6 27.8 33.6 109 118 A G < - 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0 0 43 18,-3.0 2,-0.3 -2,-0.6 19,-0.2 0.799 66.4 -13.4 -82.6 -35.4 21.0 6.5 25.5 151 160 A A E -G 168 0B 13 17,-1.1 17,-2.5 2,-0.0 2,-0.4 -0.959 58.5-120.0-167.1 147.1 22.4 5.4 22.1 152 161 A K E -G 167 0B 98 -2,-0.3 15,-0.3 15,-0.2 13,-0.0 -0.793 32.1-149.4 -89.8 138.3 25.4 5.7 19.8 153 162 A V E -G 166 0B 0 13,-2.9 13,-2.6 -2,-0.4 -34,-0.1 -0.944 5.5-141.5-120.1 114.8 24.4 7.3 16.4 154 163 A P > - 0 0 28 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.277 26.2-111.7 -72.5 157.5 26.3 6.4 13.2 155 164 A P G > S+ 0 0 22 0, 0.0 3,-2.6 0, 0.0 9,-0.1 0.865 113.8 70.8 -50.8 -38.8 27.1 9.0 10.5 156 165 A S G 3 S+ 0 0 75 1,-0.3 -151,-0.0 5,-0.1 5,-0.0 0.642 84.4 69.8 -56.6 -15.9 24.6 7.2 8.2 157 166 A A G < S+ 0 0 0 -3,-1.8 -152,-2.3 -152,-0.1 -151,-1.6 0.562 99.7 58.7 -76.0 -7.2 21.9 8.6 10.4 158 167 A F E < S-A 4 0A 3 -3,-2.6 -154,-0.2 -154,-0.3 3,-0.1 -0.806 77.4-119.4-124.2 156.1 22.6 12.1 9.1 159 168 A Y E S+A 3 0A 163 -156,-2.8 -156,-1.9 -2,-0.3 2,-0.2 -0.941 104.4 26.6-141.4 128.2 22.7 14.1 5.9 160 169 A P S S- 0 0 64 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 0.675 110.3-117.1 -66.2 166.0 25.2 15.3 5.1 161 170 A K - 0 0 133 -2,-0.2 -5,-0.1 -3,-0.1 -2,-0.1 -0.529 20.1-134.7 -78.9 133.7 27.2 12.7 6.9 162 171 A P - 0 0 30 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.299 17.2-123.4 -72.8 169.4 29.5 13.7 9.9 163 172 A K S S+ 0 0 106 2,-0.1 2,-0.2 -2,-0.0 -2,-0.0 0.724 90.6 36.0 -87.7 -22.6 33.0 12.3 10.1 164 173 A V S S- 0 0 73 1,-0.1 2,-0.1 -10,-0.1 0, 0.0 -0.744 92.2 -88.2-123.6 168.8 32.5 10.8 13.6 165 174 A Y - 0 0 102 -2,-0.2 -46,-2.6 -11,-0.1 -45,-0.3 -0.379 34.8-148.9 -69.7 154.0 29.7 9.2 15.6 166 175 A S E -FG 118 153B 11 -13,-2.6 -13,-2.9 -48,-0.3 2,-0.3 -0.632 7.5-145.3-109.4 177.9 27.3 11.1 17.7 167 176 A A E -FG 117 152B 0 -50,-2.5 -50,-2.6 -15,-0.3 2,-0.5 -0.994 12.2-133.3-146.1 140.8 25.5 10.1 20.9 168 177 A I E -FG 116 151B 1 -17,-2.5 -18,-3.0 -2,-0.3 -17,-1.1 -0.861 31.4-167.7 -88.6 126.3 22.1 10.7 22.4 169 178 A V E -FG 115 149B 0 -54,-2.6 -54,-2.6 -2,-0.5 2,-0.5 -0.971 12.7-147.8-120.7 129.5 22.7 11.7 26.1 170 179 A K E -FG 114 148B 66 -22,-2.8 -22,-1.6 -2,-0.4 2,-0.5 -0.865 14.9-168.1 -95.6 129.9 20.0 12.0 28.8 171 180 A I E +FG 113 147B 1 -58,-3.0 -58,-2.4 -2,-0.5 -24,-0.2 -0.972 10.4 179.4-123.5 118.8 20.5 14.6 31.5 172 181 A K E - G 0 146B 110 -26,-2.6 -26,-2.8 -2,-0.5 -60,-0.2 -0.938 29.4-130.0-119.3 105.5 18.4 14.8 34.7 173 182 A P E - G 0 145B 40 0, 0.0 -28,-0.3 0, 0.0 2,-0.2 -0.180 23.8-173.0 -55.2 147.3 19.4 17.7 37.0 174 183 A N > + 0 0 48 -30,-2.4 4,-0.5 1,-0.1 5,-0.2 -0.715 15.6 167.5-150.3 86.9 20.1 16.7 40.6 175 184 A K H > S+ 0 0 93 -2,-0.2 4,-1.3 1,-0.2 3,-0.3 0.883 77.1 51.4 -69.2 -41.7 20.7 19.5 43.0 176 185 A G H 4 S+ 0 0 63 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.842 90.7 74.4 -68.4 -38.9 20.4 17.5 46.2 177 186 A K H 4 S+ 0 0 57 1,-0.2 -1,-0.2 -33,-0.1 -2,-0.1 0.855 120.3 2.9 -45.4 -50.4 22.7 14.6 45.5 178 187 A Y H < S- 0 0 73 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.760 84.6-147.5-114.5 -35.3 26.0 16.5 46.0 179 188 A H < - 0 0 56 -4,-1.3 2,-0.5 -5,-0.2 -3,-0.1 0.991 8.0-141.1 62.3 84.0 25.1 20.1 47.1 180 189 A I - 0 0 32 -5,-0.2 3,-0.2 -37,-0.2 -1,-0.1 -0.649 7.0-156.7 -74.7 122.5 27.6 22.6 45.8 181 190 A E S S+ 0 0 96 -2,-0.5 2,-0.4 1,-0.3 -1,-0.1 0.933 80.2 9.6 -65.1 -53.2 28.2 25.3 48.5 182 191 A N > - 0 0 52 1,-0.1 4,-2.4 2,-0.0 -1,-0.3 -0.955 63.7-158.1-137.4 114.8 29.4 28.1 46.2 183 192 A E H > S+ 0 0 90 -2,-0.4 4,-2.6 -3,-0.2 5,-0.2 0.904 92.7 49.9 -57.6 -52.2 29.1 27.8 42.4 184 193 A N H > S+ 0 0 122 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 113.7 44.8 -53.5 -50.5 31.8 30.3 41.6 185 194 A F H > S+ 0 0 27 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.908 112.0 52.5 -62.0 -44.2 34.4 28.8 43.9 186 195 A F H X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.929 109.4 49.6 -57.7 -47.1 33.6 25.2 42.8 187 196 A D H X S+ 0 0 67 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.876 113.8 45.8 -58.3 -41.4 34.1 26.3 39.1 188 197 A D H X S+ 0 0 43 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.894 113.0 50.3 -68.5 -40.8 37.5 27.9 40.1 189 198 A F H X S+ 0 0 1 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.922 111.1 48.3 -63.8 -47.8 38.4 24.8 42.1 190 199 A L H X S+ 0 0 3 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.908 111.3 50.3 -58.2 -46.5 37.6 22.5 39.2 191 200 A R H X S+ 0 0 74 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.962 112.3 48.0 -56.9 -51.7 39.6 24.6 36.8 192 201 A A H >< S+ 0 0 0 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.917 114.4 43.0 -56.2 -51.4 42.6 24.6 39.1 193 202 A I H >< S+ 0 0 1 -4,-2.5 3,-1.5 1,-0.2 6,-0.2 0.901 112.4 51.1 -70.5 -39.9 42.7 20.9 39.8 194 203 A F H >< S+ 0 0 26 -4,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.485 90.1 77.8 -80.0 -0.7 42.1 19.6 36.2 195 204 A Q T << S+ 0 0 88 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.606 112.8 25.9 -70.5 -10.2 44.8 21.9 34.9 196 205 A H T X S+ 0 0 50 -3,-1.5 3,-1.9 -4,-0.2 45,-0.4 -0.408 76.5 164.1-147.7 61.2 47.0 19.0 36.4 197 206 A R T < S+ 0 0 74 -3,-0.6 45,-2.0 1,-0.3 46,-0.2 0.689 75.0 51.4 -64.7 -24.3 44.8 15.9 36.3 198 207 A N T 3 S+ 0 0 104 43,-0.2 -1,-0.3 42,-0.1 2,-0.2 0.452 99.0 81.2 -91.4 -0.8 47.6 13.4 36.8 199 208 A K S < S- 0 0 82 -3,-1.9 42,-2.6 -6,-0.2 43,-0.2 -0.584 94.3 -87.5 -96.3 163.5 49.1 15.2 39.9 200 209 A S B > -H 240 0C 11 40,-0.3 4,-2.4 -2,-0.2 40,-0.3 -0.308 38.6-115.1 -59.3 152.7 47.9 15.1 43.5 201 210 A V H > S+ 0 0 0 38,-2.0 4,-2.7 35,-0.4 5,-0.2 0.931 118.1 54.5 -56.6 -46.9 45.1 17.5 44.3 202 211 A R H > S+ 0 0 77 35,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.931 111.3 42.1 -49.5 -54.7 47.6 19.2 46.7 203 212 A K H > S+ 0 0 98 34,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.847 113.7 53.6 -68.4 -33.3 50.3 19.7 44.0 204 213 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.910 108.7 48.9 -65.1 -44.5 47.6 20.8 41.4 205 214 A L H < S+ 0 0 2 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.862 112.3 48.0 -66.4 -36.7 46.3 23.5 43.8 206 215 A I H >< S+ 0 0 30 -4,-1.9 3,-1.4 -5,-0.2 4,-0.2 0.953 114.0 46.8 -66.4 -49.5 49.8 24.8 44.5 207 216 A D H 3< S+ 0 0 85 -4,-2.5 3,-0.3 1,-0.3 -2,-0.2 0.875 122.9 34.6 -58.4 -39.8 50.7 24.9 40.7 208 217 A S T >< S+ 0 0 6 -4,-2.4 3,-2.0 1,-0.2 4,-0.4 -0.005 79.3 127.8-104.2 27.5 47.4 26.6 39.8 209 218 A S G X > + 0 0 3 -3,-1.4 3,-1.8 1,-0.3 5,-1.8 0.828 65.4 63.7 -57.8 -35.2 47.2 28.7 43.0 210 219 A K G > 5S+ 0 0 162 -3,-0.3 3,-0.9 1,-0.3 -1,-0.3 0.734 90.8 66.5 -62.8 -21.3 46.7 31.9 40.9 211 220 A E G < 5S+ 0 0 64 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.718 108.6 39.0 -67.9 -22.9 43.4 30.4 39.7 212 221 A L G < 5S- 0 0 12 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.213 123.5-110.0-108.2 9.1 42.1 30.7 43.3 213 222 A N T < 5S+ 0 0 137 -3,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.827 79.7 117.0 62.7 40.5 43.9 34.0 43.7 214 223 A Y < - 0 0 48 -5,-1.8 -1,-0.2 -6,-0.1 -2,-0.2 -0.946 64.4-117.7-124.8 150.5 46.7 32.9 46.1 215 224 A N > - 0 0 77 -2,-0.3 4,-2.5 -3,-0.1 5,-0.2 -0.426 35.2-104.3 -80.1 166.5 50.4 32.8 45.5 216 225 A K H > S+ 0 0 47 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.833 120.9 49.1 -63.6 -34.4 52.3 29.5 45.5 217 226 A D H > S+ 0 0 130 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.879 112.1 48.6 -70.4 -40.7 53.8 30.0 49.0 218 227 A E H > S+ 0 0 76 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.917 111.6 49.8 -61.0 -47.2 50.4 31.1 50.5 219 228 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.911 108.2 52.6 -61.8 -44.5 48.7 28.0 48.9 220 229 A K H X S+ 0 0 113 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.923 113.6 43.3 -57.0 -47.2 51.3 25.6 50.3 221 230 A K H X S+ 0 0 105 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.912 111.4 55.4 -64.0 -44.8 50.9 27.0 53.8 222 231 A I H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.903 109.2 46.7 -51.8 -47.5 47.0 27.0 53.4 223 232 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.788 106.6 58.1 -72.3 -29.9 47.1 23.3 52.5 224 233 A E H X S+ 0 0 75 -4,-1.5 4,-0.7 -5,-0.2 -1,-0.2 0.937 114.3 38.4 -58.4 -49.9 49.4 22.5 55.5 225 234 A D H >< S+ 0 0 73 -4,-2.1 3,-0.7 2,-0.2 4,-0.3 0.903 115.1 53.0 -67.7 -44.8 46.8 24.0 57.8 226 235 A F H >X S+ 0 0 3 -4,-2.8 3,-2.0 1,-0.3 4,-0.5 0.905 104.3 56.1 -57.2 -45.9 43.8 22.6 55.9 227 236 A L H 3< S+ 0 0 48 -4,-2.5 7,-0.4 1,-0.3 3,-0.3 0.766 100.8 61.3 -57.8 -28.2 45.3 19.1 56.0 228 237 A N T << S+ 0 0 125 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.543 84.7 77.7 -77.3 -5.9 45.3 19.5 59.8 229 238 A T T <4 S- 0 0 69 -3,-2.0 2,-0.3 -4,-0.3 -1,-0.2 0.923 112.5 -20.7 -73.5 -45.4 41.5 19.9 60.1 230 239 A N X - 0 0 55 -4,-0.5 4,-1.2 -3,-0.3 3,-0.4 -0.978 57.8-113.1-160.0 160.3 40.7 16.2 59.7 231 240 A S H > S+ 0 0 62 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.737 110.3 64.3 -67.2 -25.5 42.3 12.9 58.4 232 241 A E H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 101.6 50.1 -61.5 -46.1 39.7 12.6 55.5 233 242 A I H > S+ 0 0 0 -3,-0.4 4,-2.8 1,-0.2 5,-0.3 0.888 106.9 56.0 -58.2 -43.1 41.0 15.8 54.0 234 243 A K H X S+ 0 0 86 -4,-1.2 4,-1.4 -7,-0.4 -1,-0.2 0.938 109.9 44.3 -55.0 -52.0 44.6 14.5 54.2 235 244 A N H < S+ 0 0 99 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.844 114.2 50.9 -64.5 -37.2 43.7 11.4 52.2 236 245 A L H >< S+ 0 0 23 -4,-2.1 3,-1.1 1,-0.2 -35,-0.4 0.941 110.4 45.8 -65.3 -50.5 41.7 13.3 49.6 237 246 A I H 3< S+ 0 0 0 -4,-2.8 -35,-2.7 1,-0.3 -34,-0.3 0.755 108.9 56.6 -72.5 -20.5 44.4 16.0 48.8 238 247 A N T 3< S+ 0 0 77 -4,-1.4 -1,-0.3 -5,-0.3 2,-0.2 0.610 92.9 90.3 -81.8 -11.9 47.2 13.4 48.5 239 248 A E S < S- 0 0 83 -3,-1.1 -38,-2.0 -4,-0.4 -37,-0.2 -0.516 91.2 -93.3 -85.6 151.2 45.2 11.5 45.9 240 249 A K B >> -H 200 0C 78 -40,-0.3 3,-2.0 -2,-0.2 4,-0.7 -0.401 34.2-121.6 -64.1 136.5 45.5 12.1 42.1 241 250 A V G >4 S+ 0 0 0 -42,-2.6 3,-1.5 -45,-0.4 -43,-0.2 0.876 109.3 49.9 -43.9 -53.3 42.9 14.5 40.8 242 251 A F G 34 S+ 0 0 24 -45,-2.0 -112,-2.4 1,-0.3 -1,-0.3 0.579 103.7 62.0 -71.9 -9.5 41.4 12.2 38.2 243 252 A K G <4 S+ 0 0 105 -3,-2.0 -1,-0.3 -46,-0.2 2,-0.3 0.648 80.9 98.4 -90.3 -15.4 41.0 9.4 40.8 244 253 A L S << S- 0 0 5 -3,-1.5 -114,-0.3 -4,-0.7 2,-0.0 -0.539 74.9-124.2 -73.6 133.7 38.6 11.4 43.1 245 254 A S > - 0 0 39 -2,-0.3 4,-2.5 -116,-0.1 5,-0.2 -0.315 24.7-109.7 -65.3 158.2 34.9 10.6 42.7 246 255 A V H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.905 121.6 55.9 -53.4 -46.3 32.5 13.5 41.9 247 256 A K H > S+ 0 0 134 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.929 110.0 44.2 -51.2 -50.0 31.2 13.1 45.5 248 257 A D H > S+ 0 0 51 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.880 111.8 51.8 -70.9 -38.4 34.7 13.6 47.0 249 258 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.930 112.1 46.7 -61.8 -45.0 35.5 16.5 44.7 250 259 A V H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 -69,-0.2 0.952 115.7 45.1 -61.0 -51.1 32.3 18.3 45.7 251 260 A N H X S+ 0 0 64 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.907 113.3 50.6 -59.0 -45.1 32.8 17.6 49.4 252 261 A L H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.955 112.5 45.0 -59.4 -53.6 36.5 18.6 49.3 253 262 A S H X S+ 0 0 2 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.896 111.8 54.0 -57.3 -43.6 35.8 21.9 47.5 254 263 A N H X S+ 0 0 14 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.910 112.6 43.1 -53.8 -46.3 32.9 22.6 49.9 255 264 A E H X S+ 0 0 36 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.885 114.0 50.6 -70.2 -39.5 35.2 22.1 52.9 256 265 A F H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.910 108.7 52.2 -65.7 -43.6 38.0 24.1 51.4 257 266 A Y H X S+ 0 0 51 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.944 112.5 45.0 -54.3 -52.3 35.6 27.0 50.6 258 267 A R H X S+ 0 0 108 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.904 113.0 51.5 -59.9 -43.5 34.5 27.0 54.3 259 268 A F H < S+ 0 0 46 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.927 112.7 45.1 -57.5 -48.8 38.1 26.7 55.5 260 269 A L H >< S+ 0 0 9 -4,-2.9 3,-0.5 1,-0.2 -2,-0.2 0.837 110.5 53.4 -67.2 -36.4 39.2 29.7 53.3 261 270 A Q H 3< S+ 0 0 128 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.844 108.3 50.2 -67.2 -34.8 36.1 31.9 54.3 262 271 A N T 3< 0 0 155 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.561 360.0 360.0 -77.6 -9.1 37.0 31.3 58.0 263 272 A R < 0 0 149 -3,-0.5 -2,-0.2 -4,-0.4 -3,-0.2 0.692 360.0 360.0-112.3 360.0 40.6 32.4 57.0 264 ! 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 0.0 265 300 A X 0 0 36 0, 0.0 -261,-1.7 0, 0.0 -233,-0.5 0.000 360.0 360.0 360.0 360.0 17.9 19.4 13.3