==== 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 3GRV . COMPND 2 MOLECULE: DIMETHYLADENOSINE TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR J.N.SCARSDALE,F.N.MUSAYEV,J.P.RIFE . 262 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13177.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 74.0 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 8.4 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 . 16 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 35.1 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 0 0 0 3 1 1 2 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 0 104 0, 0.0 2,-0.5 0, 0.0 158,-0.0 0.000 360.0 360.0 360.0 103.4 24.7 24.5 9.0 2 11 A C - 0 0 59 90,-0.1 2,-0.5 156,-0.1 159,-0.1 -0.828 360.0-160.7 -91.3 126.4 24.1 20.9 10.1 3 12 A F E -A 159 0A 34 156,-2.3 156,-2.6 -2,-0.5 2,-0.7 -0.932 17.4-132.4-109.3 130.3 20.6 19.7 9.7 4 13 A L E +A 158 0A 18 -2,-0.5 154,-0.2 154,-0.2 28,-0.2 -0.747 34.8 166.8 -76.7 113.2 19.2 16.7 11.5 5 14 A I + 0 0 86 152,-2.4 2,-0.8 -2,-0.7 153,-0.2 0.480 42.7 94.2-110.3 -6.7 17.5 14.7 8.8 6 15 A D >> - 0 0 42 151,-1.5 4,-1.6 1,-0.2 3,-1.3 -0.802 55.5-162.3 -95.3 107.8 16.8 11.3 10.4 7 16 A K H 3> S+ 0 0 86 -2,-0.8 4,-3.1 1,-0.3 5,-0.2 0.799 87.5 67.0 -59.3 -29.8 13.3 11.3 11.9 8 17 A N H 3> S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.856 103.2 44.4 -60.8 -34.4 14.4 8.3 14.0 9 18 A F H <> S+ 0 0 30 -3,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.866 110.3 54.4 -79.3 -36.1 16.8 10.4 16.0 10 19 A V H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.968 110.1 48.9 -49.5 -55.7 14.2 13.2 16.2 11 20 A N H X S+ 0 0 66 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.914 110.0 50.0 -53.7 -50.7 11.9 10.6 17.8 12 21 A K H X S+ 0 0 109 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.901 112.9 47.1 -54.9 -43.8 14.5 9.4 20.2 13 22 A A H X S+ 0 0 8 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.939 115.4 44.7 -65.4 -46.7 15.2 13.0 21.3 14 23 A V H <>S+ 0 0 14 -4,-2.9 5,-0.6 2,-0.2 4,-0.5 0.920 112.1 51.3 -65.3 -44.9 11.5 13.8 21.7 15 24 A E H ><5S+ 0 0 150 -4,-3.2 3,-1.3 1,-0.2 -1,-0.2 0.902 108.8 52.5 -59.2 -40.6 10.7 10.5 23.6 16 25 A S H 3<5S+ 0 0 7 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.813 99.1 64.0 -65.6 -29.9 13.5 11.2 26.0 17 26 A A T 3<5S- 0 0 2 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.578 96.1-142.3 -72.2 -11.1 12.1 14.7 26.7 18 27 A N T < 5 - 0 0 120 -3,-1.3 -3,-0.1 -4,-0.5 -2,-0.1 0.900 29.7-164.6 51.5 53.2 9.0 13.1 28.2 19 28 A L < + 0 0 27 -5,-0.6 2,-0.3 2,-0.0 -1,-0.2 -0.364 19.6 173.9 -77.6 143.4 6.7 15.7 26.8 20 29 A T > - 0 0 71 -2,-0.1 3,-2.1 0, 0.0 24,-0.6 -0.911 49.4 -98.2-133.1 168.9 3.1 16.5 27.8 21 30 A K T 3 S+ 0 0 111 -2,-0.3 22,-0.1 1,-0.3 -2,-0.0 0.432 121.2 61.9 -68.1 2.3 0.7 19.3 26.8 22 31 A D T 3 S+ 0 0 138 22,-0.1 -1,-0.3 21,-0.0 2,-0.3 0.524 87.0 95.2 -98.1 -9.7 1.6 21.1 30.0 23 32 A D < - 0 0 15 -3,-2.1 21,-2.7 19,-0.2 22,-0.8 -0.594 60.7-154.4 -83.5 141.1 5.3 21.4 28.9 24 33 A V E -b 45 0B 19 -2,-0.3 63,-2.6 20,-0.2 64,-2.0 -0.970 18.0-154.5-117.0 122.8 6.7 24.5 27.2 25 34 A V E -bc 46 88B 0 20,-2.5 22,-2.5 -2,-0.5 2,-0.5 -0.801 12.8-155.8-109.7 131.6 9.7 23.8 25.0 26 35 A L E -bc 47 89B 0 62,-2.8 64,-2.0 -2,-0.4 2,-0.4 -0.902 16.1-167.6 -96.0 128.0 12.6 26.0 23.9 27 36 A E E -b 48 0B 6 20,-3.3 22,-2.4 -2,-0.5 2,-0.6 -0.951 11.8-147.4-115.3 136.2 14.3 24.8 20.7 28 37 A I E S+b 49 0B 5 -2,-0.4 64,-0.4 62,-0.3 22,-0.2 -0.919 72.6 13.1-104.2 118.1 17.6 26.2 19.6 29 38 A G - 0 0 16 20,-3.5 63,-0.2 -2,-0.6 21,-0.2 0.454 62.1-140.4 88.0 130.0 17.9 26.3 15.8 30 39 A L > + 0 0 4 1,-0.1 3,-1.8 18,-0.1 6,-0.4 0.868 34.9 165.8 -84.6 -45.9 15.0 25.8 13.4 31 40 A G T 3 S- 0 0 17 1,-0.3 -1,-0.1 2,-0.1 27,-0.1 -0.380 75.4 -27.3 60.4-134.6 16.7 23.6 10.7 32 41 A K T 3 S- 0 0 74 -28,-0.2 -1,-0.3 -2,-0.1 -2,-0.0 0.380 88.8-112.9 -92.0 1.6 14.1 22.0 8.4 33 42 A G S <> S+ 0 0 3 -3,-1.8 4,-2.7 3,-0.0 5,-0.2 0.552 82.6 123.7 82.0 8.7 11.5 22.1 11.1 34 43 A I H > S+ 0 0 55 2,-0.2 4,-1.4 -30,-0.2 5,-0.1 0.939 82.9 37.3 -69.0 -47.1 11.4 18.3 11.5 35 44 A L H > S+ 0 0 13 -5,-0.2 4,-2.1 -31,-0.2 5,-0.2 0.923 114.9 57.6 -64.9 -43.9 12.2 18.5 15.2 36 45 A T H > S+ 0 0 0 -6,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.915 103.7 52.1 -53.8 -46.6 10.1 21.6 15.5 37 46 A E H X S+ 0 0 58 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.901 109.5 48.8 -58.6 -43.2 7.0 19.8 14.2 38 47 A E H X S+ 0 0 22 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.871 111.4 49.8 -66.2 -35.9 7.3 17.0 16.7 39 48 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 3,-0.3 0.923 110.4 50.1 -67.1 -44.3 7.7 19.4 19.6 40 49 A A H < S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.860 108.4 53.6 -62.5 -38.5 4.6 21.4 18.4 41 50 A K H < S+ 0 0 92 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.857 121.6 28.4 -62.0 -36.4 2.6 18.2 18.3 42 51 A N H < S+ 0 0 69 -4,-1.3 -19,-0.2 -3,-0.3 -2,-0.2 0.695 109.7 65.6-107.8 -22.2 3.4 17.2 21.8 43 52 A A S < S- 0 0 0 -4,-2.7 -22,-0.2 -5,-0.1 -19,-0.2 -0.558 78.9-117.8-101.0 164.0 4.1 20.3 23.9 44 53 A K S S- 0 0 131 -21,-2.7 2,-0.3 -24,-0.6 -20,-0.2 0.919 95.0 -15.5 -58.5 -46.3 1.9 23.2 25.0 45 54 A K E -b 24 0B 59 -22,-0.8 -20,-2.5 -6,-0.1 2,-0.4 -0.978 61.1-144.3-161.1 150.6 4.0 25.7 23.0 46 55 A V E -bd 25 69B 0 22,-2.6 24,-2.9 -2,-0.3 2,-0.5 -0.993 3.8-160.1-129.4 123.9 7.4 25.8 21.3 47 56 A Y E -bd 26 70B 12 -22,-2.5 -20,-3.3 -2,-0.4 2,-0.5 -0.885 12.6-164.4 -92.5 133.4 9.8 28.8 21.1 48 57 A V E -bd 27 71B 0 22,-2.5 24,-3.2 -2,-0.5 2,-0.6 -0.979 7.3-160.5-120.8 118.6 12.4 28.5 18.3 49 58 A I E +bd 28 72B 3 -22,-2.4 -20,-3.5 -2,-0.5 2,-0.4 -0.898 21.7 171.7 -94.8 120.4 15.5 30.7 18.3 50 59 A E E - d 0 73B 19 22,-2.2 24,-1.9 -2,-0.6 25,-0.1 -0.999 26.1-164.9-134.4 131.0 16.9 30.7 14.8 51 60 A I S S+ 0 0 113 -2,-0.4 2,-0.8 22,-0.2 24,-0.1 0.725 71.3 76.4 -83.9 -25.1 19.7 33.0 13.5 52 61 A D > - 0 0 65 1,-0.1 3,-1.6 22,-0.1 -1,-0.1 -0.792 55.4-169.2-103.4 108.1 19.3 32.4 9.7 53 62 A K G > S+ 0 0 114 -2,-0.8 3,-1.6 1,-0.3 -1,-0.1 0.640 80.1 77.7 -71.2 -14.0 16.3 34.3 8.2 54 63 A S G 3 S+ 0 0 95 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.696 86.5 63.9 -64.3 -19.9 16.6 32.3 4.9 55 64 A L G X> S+ 0 0 14 -3,-1.6 4,-1.3 1,-0.2 3,-1.3 0.381 70.1 106.6 -84.8 3.2 14.9 29.5 6.8 56 65 A E H <> + 0 0 65 -3,-1.6 4,-3.4 1,-0.3 5,-0.2 0.820 68.0 62.8 -53.8 -40.0 11.7 31.6 7.2 57 66 A P H 3> S+ 0 0 85 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.833 103.1 51.1 -57.7 -31.3 9.7 29.6 4.6 58 67 A Y H <> S+ 0 0 98 -3,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.925 112.7 45.3 -66.2 -45.6 10.1 26.5 6.9 59 68 A A H X S+ 0 0 1 -4,-1.3 4,-2.1 1,-0.2 5,-0.2 0.938 112.8 51.8 -58.2 -49.9 8.8 28.5 9.8 60 69 A N H X S+ 0 0 67 -4,-3.4 4,-0.6 1,-0.2 -2,-0.2 0.858 108.5 49.0 -58.3 -42.7 6.0 29.9 7.7 61 70 A K H >X S+ 0 0 58 -4,-1.9 3,-0.7 -5,-0.2 4,-0.7 0.890 111.6 50.8 -64.5 -40.5 4.8 26.5 6.5 62 71 A L H >X S+ 0 0 14 -4,-1.8 4,-2.4 1,-0.2 3,-1.2 0.892 103.8 56.8 -63.9 -41.7 4.8 25.2 10.1 63 72 A K H 3< S+ 0 0 78 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.611 100.7 59.7 -70.9 -13.3 2.7 28.1 11.5 64 73 A E H << S+ 0 0 155 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.745 115.2 34.3 -79.0 -27.2 0.0 27.3 8.9 65 74 A L H << S+ 0 0 123 -3,-1.2 2,-0.4 -4,-0.7 -2,-0.2 0.724 123.4 42.6 -98.5 -27.4 -0.3 23.8 10.5 66 75 A Y < - 0 0 45 -4,-2.4 3,-0.3 -5,-0.1 -1,-0.2 -0.974 51.5-168.1-130.3 134.3 0.4 24.7 14.1 67 76 A N S S+ 0 0 161 -2,-0.4 -4,-0.1 1,-0.2 -1,-0.1 0.351 82.3 67.7 -98.3 4.3 -0.8 27.6 16.2 68 77 A N S S+ 0 0 23 -25,-0.1 -22,-2.6 -23,-0.0 2,-0.5 0.039 72.9 102.7-117.3 24.2 1.6 27.0 19.1 69 78 A I E -d 46 0B 17 -3,-0.3 2,-0.5 -24,-0.2 -22,-0.2 -0.932 45.4-172.0-107.7 129.6 5.0 27.8 17.5 70 79 A E E -d 47 0B 76 -24,-2.9 -22,-2.5 -2,-0.5 2,-0.5 -0.986 10.3-152.6-119.7 125.9 6.7 31.1 18.2 71 80 A I E -d 48 0B 24 -2,-0.5 2,-0.6 -24,-0.2 -22,-0.2 -0.828 6.3-166.7 -99.3 131.9 9.9 32.0 16.2 72 81 A I E -d 49 0B 31 -24,-3.2 -22,-2.2 -2,-0.5 2,-0.6 -0.972 13.9-148.5-114.5 111.4 12.5 34.3 17.7 73 82 A W E +d 50 0B 74 -2,-0.6 2,-0.3 -24,-0.2 -22,-0.2 -0.743 54.8 69.8 -84.7 118.3 14.9 35.5 15.0 74 83 A G S S- 0 0 24 -24,-1.9 2,-0.5 -2,-0.6 -22,-0.1 -0.928 87.7 -54.2 162.2 178.0 18.4 36.0 16.5 75 84 A D >> - 0 0 50 -2,-0.3 3,-1.8 1,-0.1 4,-1.4 -0.720 39.8-143.1 -81.9 123.5 21.5 34.5 18.0 76 85 A A T 34 S+ 0 0 8 -2,-0.5 -1,-0.1 1,-0.3 5,-0.1 0.718 100.3 61.1 -64.2 -20.0 20.7 32.3 20.9 77 86 A L T 34 S+ 0 0 77 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.654 111.1 40.0 -78.1 -14.4 23.8 33.4 22.8 78 87 A K T <4 S+ 0 0 168 -3,-1.8 -2,-0.2 2,-0.1 -1,-0.2 0.656 89.8 105.4-105.0 -22.7 22.4 37.0 22.7 79 88 A V S < S- 0 0 35 -4,-1.4 2,-1.1 1,-0.1 3,-0.1 -0.381 75.7-123.3 -68.0 132.4 18.8 36.3 23.4 80 89 A D > - 0 0 84 1,-0.2 3,-1.4 -2,-0.1 -1,-0.1 -0.675 26.7-171.6 -76.2 100.0 17.7 37.2 27.0 81 90 A L G > S+ 0 0 13 -2,-1.1 3,-1.5 1,-0.3 -1,-0.2 0.664 75.4 75.1 -71.9 -17.9 16.3 33.8 28.1 82 91 A N G 3 S+ 0 0 122 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.752 89.5 60.3 -60.6 -25.5 14.9 35.3 31.3 83 92 A K G < S+ 0 0 169 -3,-1.4 2,-0.4 2,-0.0 -1,-0.3 0.397 93.5 79.8 -87.5 2.5 12.1 36.9 29.2 84 93 A L < - 0 0 18 -3,-1.5 2,-0.9 2,-0.1 -58,-0.1 -0.913 68.9-144.4-115.9 139.9 10.8 33.4 28.0 85 94 A D + 0 0 106 -2,-0.4 2,-0.3 -60,-0.1 -3,-0.1 -0.778 45.4 132.3-107.5 90.5 8.6 31.0 29.9 86 95 A F - 0 0 17 -2,-0.9 -61,-0.2 1,-0.1 3,-0.1 -0.891 38.7-164.9-130.9 158.7 9.6 27.5 29.1 87 96 A N S S+ 0 0 30 -63,-2.6 24,-3.0 -2,-0.3 25,-1.1 0.502 74.4 41.5-118.9 -11.7 10.3 24.4 31.3 88 97 A K E -ce 25 112B 17 -64,-2.0 -62,-2.8 22,-0.2 2,-0.4 -0.950 59.8-154.0-138.0 153.9 12.1 22.1 28.8 89 98 A V E +ce 26 113B 0 23,-1.6 25,-2.4 -2,-0.3 2,-0.4 -0.999 14.8 172.9-130.1 127.1 14.8 22.5 26.1 90 99 A V E + e 0 114B 1 -64,-2.0 2,-0.3 -2,-0.4 -62,-0.3 -0.984 21.2 144.7-136.0 125.7 15.1 20.1 23.1 91 100 A A E - e 0 115B 5 23,-1.8 25,-2.4 -2,-0.4 2,-1.1 -0.989 56.8-131.7-164.1 142.1 17.5 20.9 20.3 92 101 A N E - e 0 116B 31 -64,-0.4 -88,-0.1 -2,-0.3 25,-0.1 -0.852 53.2-145.3 -89.5 92.8 20.0 19.8 17.7 93 102 A L - 0 0 7 -2,-1.1 2,-0.5 23,-0.7 5,-0.1 -0.330 14.5-113.0 -67.8 139.6 22.5 22.4 19.0 94 103 A P > - 0 0 51 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.620 31.3-138.0 -64.3 122.1 24.9 24.2 16.6 95 104 A Y G > S+ 0 0 117 -2,-0.5 3,-1.7 1,-0.3 4,-0.3 0.804 96.1 69.5 -61.7 -30.8 28.1 22.6 17.9 96 105 A Q G 3 S+ 0 0 129 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.788 106.0 40.1 -53.7 -31.4 30.0 25.9 17.7 97 106 A I G <> S+ 0 0 26 -3,-1.8 4,-2.5 1,-0.1 5,-0.4 0.360 81.2 117.8-100.5 6.0 27.9 27.2 20.6 98 107 A S H <> S+ 0 0 5 -3,-1.7 4,-1.7 -4,-0.3 -1,-0.1 0.829 76.7 38.4 -44.3 -55.9 27.8 24.0 22.7 99 108 A S H > S+ 0 0 46 -4,-0.3 4,-1.8 2,-0.2 5,-0.2 0.982 118.3 42.4 -70.3 -58.6 29.6 25.2 25.9 100 109 A P H > S+ 0 0 66 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.901 116.3 50.2 -57.5 -38.9 28.4 28.8 26.4 101 110 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.887 106.6 55.7 -65.1 -38.7 24.7 27.8 25.5 102 111 A T H X S+ 0 0 2 -4,-1.7 4,-2.2 -5,-0.4 -1,-0.2 0.923 112.7 40.7 -59.7 -45.9 24.8 24.9 28.0 103 112 A F H X S+ 0 0 58 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.879 112.6 53.8 -76.6 -34.0 25.8 27.1 30.9 104 113 A K H X S+ 0 0 42 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.902 112.3 46.9 -61.4 -40.3 23.4 30.0 29.9 105 114 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.923 112.8 46.9 -65.9 -47.2 20.6 27.4 29.8 106 115 A I H < S+ 0 0 20 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.913 110.8 53.7 -63.1 -40.6 21.5 25.8 33.2 107 116 A K H < S+ 0 0 193 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.934 111.1 45.5 -55.6 -49.5 21.8 29.4 34.6 108 117 A R H < S- 0 0 75 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.889 113.5-134.7 -60.5 -43.5 18.3 30.2 33.4 109 118 A G < - 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0 0 70 -2,-0.2 -5,-0.1 -159,-0.1 -2,-0.1 -0.506 33.4-133.1 -70.5 122.6 27.3 14.8 6.7 162 171 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.112 11.0-123.2 -67.3 171.0 29.6 15.7 9.6 163 172 A K S S+ 0 0 208 2,-0.1 2,-0.2 -8,-0.0 -2,-0.0 0.737 90.6 33.2 -85.6 -26.7 33.1 14.5 10.2 164 173 A V S S- 0 0 72 1,-0.1 2,-0.1 -10,-0.1 0, 0.0 -0.783 88.6 -91.3-128.2 167.2 32.4 13.0 13.6 165 174 A Y - 0 0 102 -2,-0.2 -46,-2.5 -11,-0.1 -45,-0.3 -0.370 33.9-149.8 -71.7 155.3 29.6 11.3 15.6 166 175 A S E -FG 118 153B 13 -13,-2.9 -13,-3.1 -48,-0.3 2,-0.3 -0.647 6.7-146.6-110.5 178.7 27.1 13.3 17.7 167 176 A A E -FG 117 152B 0 -50,-2.7 -50,-2.5 -15,-0.3 2,-0.6 -0.989 13.7-128.7-147.1 139.9 25.3 12.2 20.9 168 177 A I E -FG 116 151B 1 -17,-2.8 -18,-3.1 -2,-0.3 -17,-1.0 -0.816 31.3-165.3 -85.0 125.7 21.9 12.9 22.4 169 178 A V E -FG 115 149B 0 -54,-2.7 -54,-2.7 -2,-0.6 2,-0.5 -0.955 11.1-150.2-118.7 128.1 22.4 14.0 26.0 170 179 A K E -FG 114 148B 62 -22,-2.6 -22,-1.6 -2,-0.4 2,-0.5 -0.852 15.5-168.1 -97.1 131.4 19.7 14.2 28.7 171 180 A I E -FG 113 147B 1 -58,-3.0 -58,-2.5 -2,-0.5 -24,-0.2 -0.980 10.8-178.5-127.9 120.2 20.2 16.9 31.3 172 181 A K E - G 0 146B 107 -26,-2.9 -26,-2.9 -2,-0.5 -60,-0.2 -0.917 25.3-136.1-118.8 102.3 18.2 17.1 34.5 173 182 A P E - G 0 145B 36 0, 0.0 2,-0.3 0, 0.0 -28,-0.3 -0.237 16.3-167.1 -55.1 142.0 19.2 20.1 36.7 174 183 A N + 0 0 60 -30,-2.3 4,-0.5 1,-0.1 3,-0.5 -0.768 11.8 176.4-134.8 87.6 19.5 19.2 40.4 175 184 A K S S+ 0 0 105 -2,-0.3 4,-0.3 1,-0.2 5,-0.2 0.683 81.9 45.7 -64.9 -18.8 19.7 22.5 42.4 176 185 A G S S+ 0 0 62 2,-0.1 -1,-0.2 1,-0.1 -32,-0.0 0.684 88.9 82.3 -99.2 -21.1 19.7 20.5 45.7 177 186 A K S S+ 0 0 50 -3,-0.5 -2,-0.1 1,-0.2 -1,-0.1 0.896 110.2 6.9 -56.3 -54.3 22.2 17.6 45.1 178 187 A Y S S- 0 0 81 -4,-0.5 -1,-0.2 -35,-0.4 -2,-0.1 0.724 86.1-143.9-109.3 -26.4 25.6 19.3 45.9 179 188 A H - 0 0 63 -4,-0.3 2,-0.5 -36,-0.2 -3,-0.1 0.927 9.2-141.0 57.7 107.7 24.8 22.8 47.2 180 189 A I - 0 0 40 -5,-0.2 3,-0.2 1,-0.1 -1,-0.1 -0.855 7.0-156.5-107.9 124.2 27.3 25.6 46.1 181 190 A E S S+ 0 0 92 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.851 83.9 0.7 -64.3 -40.6 28.3 28.3 48.6 182 191 A N > - 0 0 51 1,-0.1 4,-2.3 2,-0.0 -1,-0.3 -0.872 59.5-154.3-158.6 113.7 29.3 30.9 46.0 183 192 A E H > S+ 0 0 95 -2,-0.3 4,-2.5 -3,-0.2 5,-0.2 0.847 96.1 52.0 -61.2 -41.8 29.0 30.4 42.2 184 193 A N H > S+ 0 0 120 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.913 112.8 44.0 -62.0 -45.9 31.7 32.9 41.4 185 194 A F H > S+ 0 0 24 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.891 112.6 52.9 -67.7 -40.1 34.2 31.3 43.7 186 195 A F H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.922 109.3 48.7 -60.4 -47.8 33.3 27.8 42.6 187 196 A D H X S+ 0 0 67 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.898 114.6 45.4 -59.3 -43.8 33.9 28.8 38.9 188 197 A D H X S+ 0 0 41 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.904 112.5 51.2 -64.5 -42.6 37.3 30.3 39.7 189 198 A F H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.922 111.3 48.0 -62.3 -46.3 38.2 27.3 41.9 190 199 A L H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.892 111.4 50.5 -58.5 -45.7 37.3 24.9 39.1 191 200 A R H X S+ 0 0 72 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.978 112.1 47.8 -56.3 -55.5 39.3 27.0 36.6 192 201 A A H >< S+ 0 0 0 -4,-2.8 3,-0.7 1,-0.2 4,-0.2 0.910 114.8 42.6 -54.5 -52.0 42.4 27.0 38.8 193 202 A I H >< S+ 0 0 1 -4,-2.5 3,-1.8 1,-0.2 6,-0.2 0.934 113.0 51.2 -66.7 -42.9 42.5 23.3 39.7 194 203 A F H >< S+ 0 0 28 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.540 91.4 75.4 -77.6 -2.2 41.7 22.0 36.1 195 204 A Q T << S+ 0 0 87 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.598 113.2 27.4 -73.7 -9.7 44.5 24.2 34.7 196 205 A H T X S+ 0 0 53 -3,-1.8 3,-2.0 -4,-0.2 45,-0.4 -0.439 77.0 163.8-143.9 61.5 46.7 21.4 36.2 197 206 A R T < S+ 0 0 75 -3,-0.7 45,-2.0 1,-0.3 46,-0.2 0.688 73.5 51.1 -68.4 -18.0 44.5 18.3 36.2 198 207 A N T 3 S+ 0 0 102 43,-0.2 -1,-0.3 42,-0.1 2,-0.2 0.300 98.1 82.7 -99.0 8.6 47.3 15.8 36.8 199 208 A K S < S- 0 0 80 -3,-2.0 42,-3.0 -6,-0.2 43,-0.2 -0.646 93.7 -87.8-101.0 165.9 48.8 17.6 39.8 200 209 A S B > -H 240 0C 16 40,-0.3 4,-2.6 -2,-0.2 40,-0.3 -0.347 39.0-113.9 -63.7 154.0 47.6 17.5 43.4 201 210 A V H > S+ 0 0 0 38,-2.1 4,-2.6 35,-0.4 5,-0.2 0.901 117.7 55.7 -57.6 -42.4 44.9 19.9 44.3 202 211 A R H > S+ 0 0 78 35,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.936 111.2 41.5 -53.9 -53.6 47.3 21.7 46.6 203 212 A K H > S+ 0 0 100 34,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.853 112.9 54.1 -68.6 -38.3 49.9 22.2 43.9 204 213 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.915 108.5 49.6 -57.9 -46.0 47.3 23.2 41.3 205 214 A L H < S+ 0 0 1 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.864 113.5 45.9 -64.7 -37.8 45.9 25.9 43.6 206 215 A I H >< S+ 0 0 31 -4,-1.7 3,-1.3 -5,-0.2 -2,-0.2 0.923 113.7 48.4 -69.1 -46.5 49.5 27.3 44.2 207 216 A D H 3< S+ 0 0 90 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.896 123.3 33.5 -59.7 -41.3 50.4 27.2 40.5 208 217 A S T >X S+ 0 0 8 -4,-2.4 3,-1.6 -5,-0.2 4,-0.5 -0.029 79.3 129.1-105.4 29.5 47.1 29.0 39.6 209 218 A S G X4> + 0 0 9 -3,-1.3 5,-2.0 1,-0.3 3,-1.2 0.801 65.3 64.2 -56.6 -31.8 46.9 31.1 42.7 210 219 A K G >45S+ 0 0 75 -3,-0.3 3,-1.2 1,-0.3 -1,-0.3 0.769 90.4 65.2 -67.1 -25.3 46.3 34.3 40.7 211 220 A E G <45S+ 0 0 66 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.775 109.0 40.5 -63.9 -28.9 43.0 32.9 39.4 212 221 A L G <<5S- 0 0 8 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.234 123.4-111.0-100.7 8.8 41.8 33.1 43.0 213 222 A N T < 5S+ 0 0 135 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.840 79.1 116.7 64.4 39.0 43.6 36.5 43.4 214 223 A Y < - 0 0 65 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.2 -0.938 63.9-118.4-124.7 152.3 46.3 35.3 45.8 215 224 A N > - 0 0 78 -2,-0.3 4,-2.6 -3,-0.1 5,-0.2 -0.407 35.0-103.3 -81.5 170.0 50.1 35.3 45.2 216 225 A K H > S+ 0 0 46 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.847 120.7 44.9 -65.1 -36.3 52.0 32.0 45.3 217 226 A D H > S+ 0 0 130 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.903 113.2 50.5 -74.3 -44.3 53.5 32.5 48.8 218 227 A E H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.917 111.7 49.2 -52.0 -49.5 50.2 33.7 50.2 219 228 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.864 107.3 54.3 -64.5 -38.6 48.5 30.6 48.7 220 229 A K H X S+ 0 0 113 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.945 113.6 41.6 -56.4 -50.9 51.1 28.2 50.2 221 230 A K H X S+ 0 0 112 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.860 111.7 55.7 -68.7 -39.7 50.6 29.6 53.7 222 231 A I H X S+ 0 0 26 -4,-2.5 4,-3.0 -5,-0.2 -1,-0.2 0.941 110.8 44.9 -53.5 -49.2 46.8 29.7 53.2 223 232 A L H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.804 109.3 55.0 -72.7 -31.0 46.8 26.0 52.3 224 233 A E H X S+ 0 0 92 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.963 114.5 41.5 -59.8 -52.0 49.1 25.1 55.2 225 234 A D H >< S+ 0 0 68 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.910 114.8 51.3 -58.1 -46.7 46.6 26.8 57.5 226 235 A F H >X S+ 0 0 3 -4,-3.0 3,-2.0 1,-0.2 4,-0.5 0.905 103.9 56.8 -61.1 -47.3 43.6 25.2 55.7 227 236 A L H 3< S+ 0 0 43 -4,-2.5 7,-0.4 1,-0.3 3,-0.3 0.769 99.0 62.2 -56.3 -29.9 44.9 21.7 55.8 228 237 A N T << S+ 0 0 126 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.429 85.5 77.1 -79.1 1.1 45.1 21.9 59.6 229 238 A T T <4 S- 0 0 71 -3,-2.0 2,-0.3 1,-0.3 -1,-0.2 0.922 111.3 -15.4 -78.7 -48.1 41.4 22.4 60.0 230 239 A N X - 0 0 54 -4,-0.5 4,-1.5 -3,-0.3 -1,-0.3 -0.990 55.6-118.0-152.8 165.0 40.5 18.7 59.4 231 240 A S H > S+ 0 0 69 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.783 110.5 62.8 -69.2 -31.1 41.9 15.4 58.2 232 241 A E H > S+ 0 0 122 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.910 104.0 48.3 -56.8 -46.4 39.3 15.2 55.4 233 242 A I H > S+ 0 0 0 -3,-0.2 4,-2.6 2,-0.2 5,-0.3 0.912 107.6 55.9 -61.5 -45.5 40.7 18.4 53.9 234 243 A K H X S+ 0 0 90 -4,-1.5 4,-1.5 -7,-0.4 -2,-0.2 0.953 110.3 43.5 -52.4 -56.6 44.3 17.1 54.1 235 244 A N H < S+ 0 0 104 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.820 114.0 52.2 -63.2 -32.3 43.6 13.9 52.1 236 245 A L H >< S+ 0 0 23 -4,-1.8 3,-1.3 -5,-0.2 -35,-0.4 0.956 110.5 44.1 -66.5 -50.7 41.5 15.8 49.5 237 246 A I H 3< S+ 0 0 0 -4,-2.6 -35,-2.8 1,-0.3 -36,-0.3 0.748 109.7 57.7 -72.3 -21.4 44.1 18.5 48.7 238 247 A N T 3< S+ 0 0 84 -4,-1.5 -1,-0.3 -5,-0.3 2,-0.2 0.579 92.6 89.9 -78.9 -13.3 46.9 15.9 48.5 239 248 A E S < S- 0 0 79 -3,-1.3 -38,-2.1 -4,-0.4 -37,-0.2 -0.567 92.1 -93.9 -88.1 151.0 45.0 13.9 45.8 240 249 A K B >> -H 200 0C 81 -40,-0.3 3,-1.7 -2,-0.2 4,-0.7 -0.366 36.3-118.9 -63.7 139.4 45.4 14.5 42.1 241 250 A V G >4 S+ 0 0 0 -42,-3.0 3,-1.4 -45,-0.4 -43,-0.2 0.882 109.3 50.3 -46.8 -53.2 42.8 16.9 40.7 242 251 A F G 34 S+ 0 0 24 -45,-2.0 -112,-2.4 1,-0.3 -1,-0.3 0.598 102.6 62.8 -69.7 -11.1 41.1 14.5 38.2 243 252 A K G <4 S+ 0 0 114 -3,-1.7 -1,-0.3 -46,-0.2 2,-0.2 0.671 80.1 97.3 -89.2 -17.8 40.7 11.8 40.9 244 253 A L S << S- 0 0 4 -3,-1.4 -114,-0.3 -4,-0.7 2,-0.0 -0.498 75.6-123.6 -71.8 136.8 38.4 13.8 43.1 245 254 A S > - 0 0 40 -2,-0.2 4,-2.2 -116,-0.1 5,-0.2 -0.305 25.0-107.3 -70.6 163.7 34.7 13.1 42.7 246 255 A V H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.934 122.8 54.2 -53.7 -48.0 32.2 15.9 41.9 247 256 A K H > S+ 0 0 126 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.919 109.1 48.1 -51.8 -49.4 30.9 15.7 45.5 248 257 A D H > S+ 0 0 53 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.876 110.8 49.6 -63.9 -40.4 34.5 16.1 46.9 249 258 A I H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.899 112.5 47.7 -66.4 -39.8 35.3 19.1 44.7 250 259 A V H X S+ 0 0 1 -4,-2.4 4,-2.3 -5,-0.2 -69,-0.2 0.960 115.8 43.7 -65.0 -51.3 32.0 20.9 45.6 251 260 A N H X S+ 0 0 59 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.914 113.9 51.5 -59.3 -44.7 32.6 20.2 49.4 252 261 A L H X S+ 0 0 1 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.915 112.3 44.3 -60.8 -46.9 36.2 21.2 49.2 253 262 A S H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.853 112.8 53.3 -67.0 -37.0 35.6 24.5 47.4 254 263 A N H X S+ 0 0 16 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.940 112.3 43.8 -58.2 -50.9 32.7 25.2 49.9 255 264 A E H X S+ 0 0 39 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.861 113.9 51.6 -64.3 -36.7 35.0 24.6 52.9 256 265 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.905 108.0 51.0 -68.4 -43.1 37.7 26.7 51.2 257 266 A Y H X S+ 0 0 54 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.917 113.0 45.3 -57.5 -48.0 35.4 29.6 50.6 258 267 A R H X S+ 0 0 88 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.874 111.7 53.0 -64.8 -39.5 34.2 29.7 54.2 259 268 A F H < S+ 0 0 62 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.905 110.9 46.5 -60.2 -43.9 37.8 29.3 55.4 260 269 A L H < S+ 0 0 39 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.796 114.2 49.5 -68.7 -30.3 38.8 32.3 53.3 261 270 A Q H < 0 0 115 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.923 360.0 360.0 -71.5 -47.3 35.8 34.2 54.6 262 271 A N < 0 0 176 -4,-3.0 -2,-0.2 -5,-0.1 -1,-0.2 0.561 360.0 360.0 -82.3 360.0 36.5 33.4 58.3