==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-FEB-11 3QUV . COMPND 2 MOLECULE: TRNA (GUANINE-N(1)-)-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM ABSCESSUS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 439 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19742.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.2 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 24 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 2 0 3 2 0 0 2 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 0 2 0 4 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 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 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 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -1 A G 0 0 69 0, 0.0 2,-0.3 0, 0.0 101,-0.1 0.000 360.0 360.0 360.0 -58.0 7.2 -6.3 20.9 2 0 A S - 0 0 58 100,-0.1 2,-0.4 101,-0.1 30,-0.2 -0.999 360.0-174.0-144.1 142.9 4.6 -3.5 20.9 3 1 A M E -a 32 0A 8 28,-2.5 30,-1.5 -2,-0.3 2,-0.4 -0.996 19.1-153.4-145.4 140.4 4.4 -0.2 22.6 4 2 A K E -ab 33 105A 69 100,-2.3 102,-2.4 -2,-0.4 2,-0.4 -0.939 18.2-170.3-104.5 134.7 2.1 2.8 23.2 5 3 A I E -ab 34 106A 0 28,-2.6 30,-2.7 -2,-0.4 2,-0.5 -0.997 3.6-170.7-125.5 123.1 3.8 6.1 23.9 6 4 A D E -ab 35 107A 8 100,-2.5 102,-2.9 -2,-0.4 2,-0.4 -0.973 6.6-163.9-109.1 130.7 1.8 9.1 25.1 7 5 A V E -ab 36 108A 0 28,-2.6 30,-3.2 -2,-0.5 2,-0.5 -0.964 2.1-161.6-114.4 132.2 3.7 12.5 25.3 8 6 A V E +ab 37 109A 0 100,-2.8 102,-2.8 -2,-0.4 2,-0.3 -0.955 28.3 141.3-116.7 129.5 2.3 15.4 27.2 9 7 A T E -a 38 0A 0 28,-2.3 30,-2.1 -2,-0.5 31,-0.3 -0.989 58.9-126.4-160.5 152.2 3.6 18.9 26.4 10 8 A I S S+ 0 0 38 -2,-0.3 3,-0.1 100,-0.3 28,-0.1 0.499 111.2 56.0 -80.7 -5.5 2.7 22.6 25.9 11 9 A F > + 0 0 59 26,-0.1 3,-2.0 1,-0.1 4,-0.4 -0.603 62.6 164.2-122.4 68.7 4.3 22.3 22.5 12 10 A P G > S+ 0 0 35 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.851 72.4 65.1 -59.8 -32.8 2.5 19.4 20.7 13 11 A E G > S+ 0 0 44 1,-0.3 3,-1.1 2,-0.2 224,-0.1 0.757 87.5 71.8 -58.2 -22.4 3.9 20.4 17.3 14 12 A Y G < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.3 4,-0.3 0.810 101.3 44.5 -63.4 -29.8 7.4 19.6 18.6 15 13 A L G <> S+ 0 0 0 -3,-1.6 4,-1.5 -4,-0.4 -1,-0.3 0.473 87.5 92.9 -92.9 -6.1 6.5 15.9 18.5 16 14 A Q H <> S+ 0 0 76 -3,-1.1 4,-2.3 -4,-0.4 5,-0.2 0.897 80.9 52.8 -64.7 -44.6 4.8 15.8 15.1 17 15 A P H > S+ 0 0 13 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.902 107.7 52.2 -61.6 -36.1 7.7 14.9 12.9 18 16 A V H 4 S+ 0 0 19 -4,-0.3 4,-0.2 2,-0.2 -2,-0.2 0.847 109.2 50.8 -64.3 -34.4 8.6 11.8 15.1 19 17 A R H >< S+ 0 0 100 -4,-1.5 3,-1.4 1,-0.2 -1,-0.2 0.937 110.6 48.8 -61.4 -45.2 5.0 10.7 14.7 20 18 A Q H 3< S+ 0 0 87 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.701 103.0 64.9 -71.1 -17.7 5.3 11.1 10.9 21 19 A S T 3< S+ 0 0 29 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.425 74.3 105.2 -82.6 -7.4 8.5 9.1 11.0 22 20 A L S < S- 0 0 16 -3,-1.4 140,-0.1 -4,-0.2 2,-0.1 -0.709 79.9-115.6 -78.3 127.1 6.9 5.9 12.2 23 21 A P >> - 0 0 43 0, 0.0 4,-1.4 0, 0.0 3,-0.7 -0.378 16.0-130.4 -59.8 135.8 6.8 3.4 9.2 24 22 A G H 3> S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.828 105.5 64.4 -60.0 -33.9 3.1 2.6 8.3 25 23 A K H 3> S+ 0 0 84 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.887 103.7 46.0 -55.6 -43.0 4.0 -1.2 8.4 26 24 A A H <4>S+ 0 0 3 -3,-0.7 5,-2.8 135,-0.2 6,-0.8 0.851 113.8 48.6 -70.6 -36.7 4.7 -1.0 12.2 27 25 A I H ><5S+ 0 0 78 -4,-1.4 3,-1.1 3,-0.2 -2,-0.2 0.916 112.3 47.9 -66.6 -46.0 1.5 1.1 12.9 28 26 A D H 3<5S+ 0 0 143 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.809 109.6 52.8 -66.6 -33.3 -0.7 -1.3 10.9 29 27 A A T 3<5S- 0 0 67 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.497 114.2-122.0 -76.6 -6.1 0.8 -4.3 12.6 30 28 A G T < 5S+ 0 0 48 -3,-1.1 -3,-0.2 2,-0.2 -2,-0.1 0.767 74.3 130.5 69.4 26.6 -0.0 -2.5 15.9 31 29 A L S -a 9 0A 58 -2,-0.4 3,-2.2 -30,-0.2 4,-0.3 -0.687 16.7-145.3 -75.1 116.7 -1.5 19.4 24.7 39 37 A L G > S+ 0 0 0 -30,-2.1 3,-2.1 -2,-0.6 -29,-0.2 0.792 93.7 73.7 -52.8 -27.1 -1.1 19.9 28.4 40 38 A R G > S+ 0 0 88 -31,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.697 75.8 78.1 -66.5 -16.6 -3.5 22.8 28.2 41 39 A R G < S+ 0 0 153 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.788 97.3 47.1 -56.3 -27.3 -6.4 20.4 27.7 42 40 A W G < S+ 0 0 17 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.247 84.1 119.7-104.7 10.8 -6.2 19.9 31.5 43 41 A T < - 0 0 26 -3,-1.6 7,-0.1 1,-0.1 -3,-0.0 -0.381 51.1-152.1 -73.0 159.7 -6.0 23.5 32.6 44 42 A H + 0 0 106 5,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.535 64.6 66.4-108.2 -16.8 -8.8 24.8 34.9 45 43 A D S > S- 0 0 52 4,-0.2 3,-1.8 1,-0.1 -2,-0.1 -0.727 83.6-112.1-119.5 160.7 -8.9 28.5 34.1 46 44 A V T 3 S+ 0 0 132 1,-0.3 -1,-0.1 -2,-0.3 -3,-0.0 0.841 118.0 55.7 -59.6 -29.4 -9.8 30.8 31.2 47 45 A H T 3 S- 0 0 155 2,-0.0 -1,-0.3 1,-0.0 -4,-0.0 0.483 104.7-130.1 -82.0 -2.9 -6.1 31.8 30.9 48 46 A K < - 0 0 119 -3,-1.8 2,-0.3 1,-0.2 -2,-0.1 0.910 33.9-165.8 54.4 51.3 -5.0 28.1 30.5 49 47 A S + 0 0 41 1,-0.1 -5,-0.3 -9,-0.0 -1,-0.2 -0.488 25.8 168.8 -75.2 127.6 -2.4 28.5 33.2 50 48 A V + 0 0 5 -2,-0.3 14,-2.3 -7,-0.1 2,-0.3 0.501 63.0 37.8-112.0 -12.5 0.2 25.7 33.4 51 49 A D E -E 63 0B 45 12,-0.3 2,-0.3 65,-0.1 12,-0.2 -0.882 55.3-176.1-139.1 171.5 2.7 27.3 35.7 52 50 A D E -E 62 0B 20 10,-2.0 10,-2.8 -2,-0.3 0, 0.0 -0.948 42.8 -66.9-160.0 164.2 3.0 29.5 38.8 53 51 A S - 0 0 71 -2,-0.3 344,-0.4 8,-0.2 2,-0.2 -0.299 57.2-104.1 -65.3 145.7 5.6 31.1 41.0 54 52 A P > - 0 0 20 0, 0.0 3,-1.6 0, 0.0 342,-0.2 -0.473 29.1-117.2 -73.2 135.6 8.0 28.9 43.0 55 53 A Y T 3 S+ 0 0 48 340,-2.8 340,-0.3 1,-0.2 356,-0.1 -0.471 104.4 31.8 -64.7 138.2 7.5 28.5 46.7 56 54 A G T 3 S- 0 0 17 354,-0.7 -1,-0.2 -2,-0.1 355,-0.1 0.415 117.0-109.8 88.9 -2.1 10.5 29.8 48.6 57 55 A G < + 0 0 35 -3,-1.6 -2,-0.0 1,-0.1 353,-0.0 -0.109 64.3 118.6 80.4-172.0 11.0 32.4 45.9 58 56 A G - 0 0 54 -5,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.380 62.2 -31.4 97.6-177.5 13.7 32.8 43.2 59 57 A P S S+ 0 0 126 0, 0.0 2,-0.0 0, 0.0 -2,-0.0 -0.204 91.5 12.7 -83.3 162.5 13.6 32.8 39.4 60 58 A G S S- 0 0 32 -7,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.207 80.4 -78.9 79.7-166.9 11.4 31.1 36.8 61 59 A M - 0 0 56 -8,-0.2 2,-0.4 335,-0.0 -8,-0.2 -0.922 26.1-137.0-136.1 158.1 8.2 29.3 37.2 62 60 A V E -E 52 0B 3 -10,-2.8 -10,-2.0 -2,-0.3 54,-0.2 -0.932 31.8-108.4-117.5 139.5 7.2 25.8 38.4 63 61 A M E -Ef 51 116B 4 52,-2.7 54,-2.1 -2,-0.4 -12,-0.3 -0.467 41.6-103.0 -73.8 140.6 4.5 23.8 36.6 64 62 A K > - 0 0 36 -14,-2.3 4,-1.9 -2,-0.2 5,-0.2 -0.339 18.0-148.5 -67.2 132.9 1.2 23.4 38.5 65 63 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.857 95.0 58.8 -69.5 -32.3 0.5 20.1 40.2 66 64 A T H > S+ 0 0 32 331,-0.3 4,-1.6 2,-0.2 5,-0.1 0.879 108.4 44.9 -67.9 -35.2 -3.3 20.3 39.7 67 65 A V H > S+ 0 0 0 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.954 117.5 42.7 -71.3 -52.0 -3.0 20.5 35.9 68 66 A W H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.891 110.3 57.9 -61.9 -38.2 -0.4 17.7 35.6 69 67 A G H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.927 109.3 44.8 -58.4 -42.9 -2.3 15.6 38.2 70 68 A D H X S+ 0 0 68 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.918 112.8 51.1 -67.2 -42.1 -5.4 15.7 36.0 71 69 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.935 114.5 42.5 -60.6 -49.7 -3.4 15.0 32.8 72 70 A L H X S+ 0 0 5 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.866 108.6 58.8 -69.9 -33.7 -1.7 11.9 34.2 73 71 A D H < S+ 0 0 79 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.911 113.1 40.7 -58.0 -39.4 -4.8 10.6 35.9 74 72 A E H < S+ 0 0 117 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.919 123.7 35.2 -73.9 -43.5 -6.4 10.5 32.5 75 73 A I H < S+ 0 0 23 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.2 0.816 104.3 74.2 -85.0 -40.5 -3.5 9.1 30.4 76 74 A C < - 0 0 15 -4,-2.6 2,-0.2 -5,-0.2 30,-0.0 -0.456 51.6-177.8 -84.4 152.3 -1.8 6.7 32.8 77 75 A T > - 0 0 72 -2,-0.1 3,-1.3 28,-0.1 50,-0.1 -0.753 49.2 -86.5-126.3-175.3 -2.7 3.3 34.0 78 76 A S T 3 S+ 0 0 107 -2,-0.2 51,-0.2 1,-0.2 -2,-0.0 0.743 126.9 54.7 -62.8 -24.6 -1.2 0.8 36.4 79 77 A E T 3 S+ 0 0 96 49,-0.1 26,-0.4 2,-0.1 25,-0.3 0.586 86.5 118.1 -87.3 -6.8 1.0 -0.6 33.6 80 78 A T < - 0 0 0 -3,-1.3 49,-1.3 24,-0.1 2,-0.6 -0.317 52.9-154.7 -68.5 136.5 2.5 2.9 32.8 81 79 A L E -cd 106 129A 2 24,-2.4 26,-2.3 47,-0.1 2,-0.7 -0.967 20.8-150.0-100.4 111.5 6.1 3.8 33.1 82 80 A L E -cd 107 130A 2 47,-3.0 49,-3.1 -2,-0.6 2,-0.5 -0.802 10.6-163.3 -88.7 118.9 6.1 7.5 33.6 83 81 A V E -cd 108 131A 0 24,-3.1 26,-2.6 -2,-0.7 49,-0.2 -0.876 7.1-173.4-104.5 126.9 9.2 9.2 32.1 84 82 A V E - d 0 132A 11 47,-2.5 49,-1.8 -2,-0.5 2,-0.3 -0.900 15.1-147.3-123.9 102.5 10.0 12.8 33.2 85 83 A P E + d 0 133A 9 0, 0.0 26,-0.5 0, 0.0 49,-0.2 -0.532 35.7 147.0 -72.9 128.3 12.9 14.3 31.4 86 84 A T E > - 0 0 24 47,-2.5 3,-2.0 -2,-0.3 -2,-0.1 -0.968 56.9-125.8-156.6 141.7 14.9 16.7 33.6 87 85 A P E 3 S+ 0 0 38 0, 0.0 47,-0.2 0, 0.0 -1,-0.0 0.673 113.8 60.9 -63.1 -12.9 18.5 17.8 33.9 88 86 A A E 3 S+ 0 0 5 25,-0.1 46,-0.1 45,-0.1 302,-0.1 0.254 90.1 107.7 -92.4 11.7 18.1 16.8 37.6 89 87 A G E < S- 0 0 0 -3,-2.0 44,-0.3 1,-0.2 3,-0.1 -0.187 81.1 -88.9 -84.1 171.0 17.3 13.1 36.7 90 88 A Y E - d 0 133A 92 42,-2.5 44,-2.7 1,-0.1 2,-0.2 -0.464 67.1 -82.5 -63.4 154.7 19.1 9.8 36.9 91 89 A P E - d 0 134A 60 0, 0.0 2,-0.6 0, 0.0 44,-0.2 -0.439 34.4-141.1 -71.8 133.4 21.1 9.3 33.7 92 90 A F + 0 0 4 42,-2.7 262,-0.3 -2,-0.2 2,-0.2 -0.838 37.1 163.5 -86.1 120.4 19.4 7.9 30.7 93 91 A T > - 0 0 41 -2,-0.6 4,-2.4 260,-0.1 262,-0.2 -0.719 56.2 -89.4-130.2 177.7 21.7 5.5 29.0 94 92 A Q H > S+ 0 0 42 260,-2.0 4,-2.5 1,-0.2 5,-0.2 0.860 126.7 57.5 -57.5 -36.6 21.7 2.7 26.4 95 93 A E H > S+ 0 0 140 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.915 107.6 48.2 -59.3 -43.3 21.0 0.2 29.3 96 94 A T H > S+ 0 0 17 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.922 108.8 53.1 -59.8 -46.6 17.9 2.3 30.1 97 95 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.908 109.6 48.3 -58.9 -46.0 16.8 2.3 26.5 98 96 A W H < S+ 0 0 146 -4,-2.5 4,-0.4 2,-0.2 3,-0.3 0.931 112.3 49.5 -58.6 -46.5 17.0 -1.5 26.3 99 97 A Q H >< S+ 0 0 114 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.925 113.4 44.9 -59.1 -46.7 15.1 -1.8 29.6 100 98 A W H >< S+ 0 0 11 -4,-2.9 3,-1.9 1,-0.2 -1,-0.2 0.725 94.9 79.5 -75.1 -18.9 12.3 0.5 28.4 101 99 A S T 3< S+ 0 0 7 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.670 93.7 49.4 -62.5 -18.0 12.1 -1.1 24.9 102 100 A T T < S+ 0 0 105 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.374 86.4 114.3-104.0 5.9 10.0 -4.0 26.3 103 101 A E < - 0 0 36 -3,-1.9 3,-0.2 1,-0.1 -101,-0.1 -0.385 58.5-147.5 -68.0 150.6 7.5 -1.7 28.2 104 102 A D S S+ 0 0 90 -25,-0.3 -100,-2.3 1,-0.3 2,-0.3 0.750 81.6 22.7 -86.6 -26.9 3.9 -1.7 27.0 105 103 A H E -b 4 0A 11 -26,-0.4 -24,-2.4 -102,-0.2 2,-0.4 -0.888 59.7-177.5-151.3 110.1 3.2 1.9 27.8 106 104 A L E -bc 5 81A 0 -102,-2.4 -100,-2.5 -2,-0.3 2,-0.5 -0.920 6.5-166.8-102.4 135.5 5.4 4.9 28.3 107 105 A V E -bc 6 82A 0 -26,-2.3 -24,-3.1 -2,-0.4 2,-0.6 -0.994 8.3-159.3-116.9 122.3 4.0 8.3 29.2 108 106 A I E -bc 7 83A 0 -102,-2.9 -100,-2.8 -2,-0.5 2,-0.8 -0.910 0.7-159.5-108.2 114.3 6.5 11.1 28.8 109 107 A A E -b 8 0A 2 -26,-2.6 2,-0.6 -2,-0.6 -100,-0.1 -0.817 9.3-160.4 -94.4 105.9 5.8 14.3 30.8 110 108 A C + 0 0 2 -102,-2.8 2,-0.3 -2,-0.8 -100,-0.3 -0.769 21.9 160.1 -92.7 118.4 7.6 17.2 29.2 111 109 A G - 0 0 8 -2,-0.6 32,-1.3 -26,-0.5 5,-0.1 -0.893 44.9 -82.3-128.4 170.6 8.1 20.2 31.4 112 110 A R B > -G 142 0C 72 -2,-0.3 3,-2.1 30,-0.2 30,-0.3 -0.260 46.6-111.3 -65.1 153.2 10.2 23.3 31.8 113 111 A Y T 3 S+ 0 0 81 28,-2.2 -25,-0.1 1,-0.3 29,-0.1 0.780 113.0 70.8 -67.1 -21.6 13.6 22.7 33.4 114 112 A E T 3 S- 0 0 41 27,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.676 111.9-114.0 -65.3 -19.9 12.7 24.7 36.5 115 113 A G < - 0 0 16 -3,-2.1 -52,-2.7 -53,-0.1 2,-0.4 -0.079 9.0 -88.3 121.2 158.6 10.5 21.7 37.2 116 114 A I B S-f 63 0B 22 -54,-0.2 278,-0.4 -5,-0.1 -52,-0.1 -0.855 70.3 -83.1 -90.8 140.1 7.1 20.2 37.6 117 115 A D >> - 0 0 1 -54,-2.1 3,-2.2 -2,-0.4 4,-0.6 -0.202 43.5-125.5 -46.2 130.1 5.9 20.5 41.2 118 116 A Q H 3> S+ 0 0 12 276,-2.6 4,-2.4 1,-0.3 -1,-0.2 0.720 103.0 71.9 -62.2 -20.0 7.6 17.5 42.9 119 117 A R H 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-0.527 38.9-101.5 -79.9 152.0 33.8 3.7 21.0 170 180 A E - 0 0 159 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.468 40.0-132.4 -69.4 142.6 33.3 2.7 17.3 171 181 A G - 0 0 21 1,-0.2 -1,-0.1 -2,-0.2 34,-0.1 -0.124 40.3 -57.0 -86.2-173.3 36.2 3.6 15.1 172 182 A P - 0 0 13 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.264 48.1-148.7 -67.1 149.1 36.2 5.4 11.8 173 183 A S - 0 0 39 160,-0.4 162,-2.7 -3,-0.1 2,-0.3 -0.887 13.0-168.8-116.5 155.1 34.2 4.1 8.8 174 184 A Y + 0 0 20 98,-0.3 98,-2.7 -2,-0.3 2,-0.2 -0.973 10.2 170.2-142.4 150.8 35.1 4.5 5.1 175 185 A T - 0 0 0 -2,-0.3 10,-0.1 96,-0.2 105,-0.0 -0.828 40.2 -7.7-144.6-173.5 33.5 3.9 1.7 176 186 A R S S+ 0 0 91 94,-0.4 107,-0.3 -2,-0.2 158,-0.1 -0.300 94.0 56.5 -63.2 150.4 34.2 4.7 -2.0 177 187 A P - 0 0 40 0, 0.0 -2,-0.2 0, 0.0 8,-0.1 0.535 67.5-146.8 -82.3 163.1 36.2 6.3 -3.5 178 188 A P S S+ 0 0 68 0, 0.0 7,-2.7 0, 0.0 2,-0.4 0.787 89.7 33.9 -66.1 -26.3 39.5 4.7 -2.3 179 189 A S E S+H 184 0D 62 5,-0.2 2,-0.3 3,-0.0 5,-0.2 -0.997 70.5 167.1-129.5 133.0 41.2 8.1 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A L G < S+ 0 0 98 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.291 90.3 93.5 -97.3 7.1 41.1 -3.6 1.3 191 201 A S S < S- 0 0 60 -3,-1.6 -1,-0.1 -4,-0.2 -2,-0.1 0.661 82.2-134.6 -79.2 -20.1 43.4 -6.5 2.3 192 202 A G + 0 0 52 -4,-0.3 2,-0.8 -3,-0.2 3,-0.1 0.721 69.5 122.7 66.3 18.6 41.0 -9.4 2.4 193 203 A D > - 0 0 80 -5,-0.5 4,-2.5 1,-0.2 -1,-0.2 -0.849 39.5-178.3-109.3 93.6 42.6 -10.4 5.7 194 204 A H H > S+ 0 0 128 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.835 76.6 52.6 -72.1 -27.4 39.6 -10.4 7.9 195 205 A A H > S+ 0 0 78 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.911 111.6 48.0 -68.4 -42.0 41.3 -11.3 11.2 196 206 A K H > S+ 0 0 125 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.914 108.6 54.4 -62.7 -42.8 43.8 -8.5 10.6 197 207 A I H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.933 107.5 50.7 -58.1 -42.9 41.0 -6.0 9.8 198 208 A A H X S+ 0 0 61 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.895 111.0 47.8 -61.9 -43.1 39.3 -6.9 13.1 199 209 A A H X S+ 0 0 64 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.890 111.3 50.9 -62.5 -41.7 42.5 -6.3 15.0 200 210 A W H X S+ 0 0 61 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.927 111.1 48.6 -59.8 -46.1 43.1 -3.0 13.2 201 211 A R H X S+ 0 0 85 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.880 108.5 53.7 -63.3 -40.3 39.5 -1.9 14.1 202 212 A A H X S+ 0 0 58 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.911 110.0 47.4 -60.6 -42.2 40.0 -2.8 17.7 203 213 A E H X S+ 0 0 70 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.904 111.3 50.8 -65.8 -40.7 43.2 -0.7 17.9 204 214 A Q H X S+ 0 0 46 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.911 111.2 49.3 -60.7 -42.5 41.3 2.3 16.3 205 215 A S H X S+ 0 0 15 -4,-2.4 4,-2.4 2,-0.2 -36,-0.5 0.910 111.1 49.6 -59.7 -47.3 38.6 1.8 18.8 206 216 A R H X S+ 0 0 113 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.935 112.5 45.6 -59.9 -47.9 41.1 1.8 21.7 207 217 A Q H X S+ 0 0 99 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.905 114.4 49.0 -64.8 -44.9 42.9 5.0 20.5 208 218 A R H X S+ 0 0 28 -4,-2.5 4,-2.9 -5,-0.2 5,-0.4 0.891 110.9 49.7 -60.9 -39.2 39.6 6.8 19.9 209 219 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 -40,-0.2 7,-0.3 0.929 111.3 49.3 -67.4 -41.7 38.3 5.8 23.4 210 220 A I H < S+ 0 0 80 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53,-2.7 -2,-0.1 2,-0.4 -0.877 28.6-136.6-136.6 160.7 26.0 1.7 5.0 279 60 B V E -M 269 0F 1 -10,-3.1 -10,-2.1 -2,-0.3 2,-0.2 -0.961 30.6-108.5-123.0 138.4 28.4 4.7 5.2 280 61 B M E -Mn 268 333F 0 52,-3.1 54,-2.1 -2,-0.4 -12,-0.3 -0.499 42.3-109.5 -70.8 133.8 27.6 8.2 4.0 281 62 B K > - 0 0 45 -14,-2.3 4,-1.4 -2,-0.2 5,-0.2 -0.332 14.6-143.8 -62.8 136.8 29.6 9.1 0.9 282 63 B P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.869 94.4 62.9 -69.3 -34.6 32.5 11.7 1.3 283 64 B T H > S+ 0 0 53 -107,-0.3 4,-2.0 2,-0.2 5,-0.2 0.927 105.4 43.7 -57.2 -48.4 31.9 13.2 -2.2 284 65 B V H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.948 117.0 45.5 -65.2 -49.1 28.4 14.4 -1.4 285 66 B W H X S+ 0 0 0 -4,-1.4 4,-3.0 1,-0.2 5,-0.3 0.900 110.0 55.4 -58.0 -42.3 29.2 15.8 2.0 286 67 B G H X S+ 0 0 2 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.907 109.4 46.8 -60.8 -40.9 32.4 17.5 0.8 287 68 B D H X S+ 0 0 64 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.912 113.2 49.0 -67.8 -42.5 30.4 19.4 -1.8 288 69 B A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 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149 B I H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.934 113.8 46.5 -59.6 -45.3 20.6 23.9 19.3 369 150 B E H X S+ 0 0 5 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.916 113.8 47.5 -61.5 -46.0 18.4 24.1 22.4 370 151 B A H < S+ 0 0 0 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.860 118.6 40.8 -67.5 -36.5 21.3 23.9 24.8 371 152 B V H >< S+ 0 0 0 -4,-2.5 3,-1.8 -5,-0.2 4,-0.4 0.926 111.2 53.5 -74.6 -47.7 23.3 26.6 22.9 372 153 B L H >< S+ 0 0 1 -4,-2.9 3,-1.2 1,-0.3 6,-0.2 0.818 98.3 62.0 -67.0 -30.4 20.6 29.1 22.1 373 154 B R T 3< S+ 0 0 28 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.621 106.4 49.5 -71.2 -7.2 19.2 29.5 25.7 374 155 B L T < S+ 0 0 5 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.480 78.9 116.3-105.6 -8.6 22.7 30.8 26.6 375 156 B V S X> S- 0 0 16 -3,-1.2 3,-2.1 -4,-0.4 4,-1.9 -0.378 77.1-116.2 -65.1 139.0 23.1 33.4 23.8 376 157 B P H 3> S+ 0 0 69 0, 0.0 4,-2.7 0, 0.0 7,-0.2 0.820 113.0 59.2 -49.8 -39.1 23.3 36.9 25.3 377 158 B G H 34 S+ 0 0 48 1,-0.2 -2,-0.1 2,-0.2 -4,-0.1 0.751 112.3 41.7 -61.0 -24.4 20.1 38.2 23.6 378 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2,-0.1 2,-0.3 50,-0.0 0, 0.0 0.004 360.0 70.0-123.7 21.8 28.2 20.8 39.1 389 178 B L S S- 0 0 50 49,-0.0 2,-0.3 41,-0.0 38,-0.1 -0.968 82.0-110.8-140.7 152.8 25.1 20.0 41.2 390 179 B L - 0 0 10 36,-0.5 40,-0.2 -2,-0.3 2,-0.2 -0.590 33.3-113.0 -85.8 142.2 21.5 18.9 40.5 391 180 B E - 0 0 147 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.489 33.9-131.2 -69.9 141.6 18.6 21.2 41.3 392 181 B G - 0 0 16 30,-0.2 34,-0.1 1,-0.2 -1,-0.1 -0.133 43.2 -55.4 -81.3-173.2 16.4 19.9 44.1 393 182 B P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.270 51.0-152.2 -66.2 149.4 12.6 19.6 44.0 394 183 B S - 0 0 24 -278,-0.4 -276,-2.6 -3,-0.1 2,-0.3 -0.871 9.9-168.0-121.6 156.8 10.4 22.6 43.3 395 184 B Y + 0 0 21 -340,-0.3 -340,-2.8 -2,-0.3 2,-0.2 -0.973 8.0 176.7-142.5 154.3 6.9 23.4 44.4 396 185 B T - 0 0 0 -2,-0.3 -333,-0.1 -342,-0.2 10,-0.0 -0.824 40.3 -6.2-146.1-174.6 4.1 25.9 43.7 397 186 B R S S+ 0 0 149 -344,-0.4 -331,-0.3 -2,-0.2 -280,-0.1 -0.255 95.2 51.3 -65.7 150.0 0.5 26.5 44.7 398 187 B P - 0 0 45 0, 0.0 -2,-0.2 0, 0.0 8,-0.1 0.511 67.9-144.7 -85.1 161.6 -1.6 25.1 46.5 399 188 B P S S+ 0 0 60 0, 0.0 7,-2.6 0, 0.0 2,-0.4 0.731 90.0 34.8 -64.2 -26.8 0.3 24.5 49.7 400 189 B S E +O 405 0G 63 5,-0.2 2,-0.3 3,-0.0 5,-0.2 -1.000 69.8 169.9-127.1 135.4 -1.5 21.2 50.3 401 190 B W E > -O 404 0G 25 3,-2.2 3,-2.3 -2,-0.4 -4,-0.0 -0.962 69.7 -14.7-149.0 127.4 -2.6 18.9 47.4 402 191 B R T 3 S- 0 0 97 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.768 128.4 -54.1 51.6 30.4 -3.9 15.3 47.6 403 192 B G T 3 S+ 0 0 73 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.590 114.6 120.3 82.8 7.2 -2.7 15.2 51.2 404 193 B M E < -O 401 0G 53 -3,-2.3 -3,-2.2 -285,-0.0 2,-0.3 -0.942 49.4-153.5-110.6 123.1 0.8 16.2 50.2 405 194 B D E -O 400 0G 109 -2,-0.5 -5,-0.2 -5,-0.2 -3,-0.0 -0.693 20.2-113.8 -99.6 143.9 2.2 19.4 51.7 406 195 B V - 0 0 1 -7,-2.6 5,-0.1 -2,-0.3 -1,-0.0 -0.537 57.8 -84.6 -62.3 137.4 4.9 21.7 50.4 407 196 B P > - 0 0 23 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.265 40.7-129.1 -47.8 123.9 7.9 21.5 52.7 408 197 B P G >> S+ 0 0 103 0, 0.0 3,-1.6 0, 0.0 4,-0.5 0.801 102.5 66.0 -53.2 -34.8 7.0 24.0 55.5 409 198 B V G >4 S+ 0 0 31 1,-0.3 3,-1.1 2,-0.2 5,-0.4 0.848 95.7 58.0 -55.1 -34.6 10.4 25.8 55.3 410 199 B L G <4 S+ 0 0 8 -3,-1.6 -354,-0.7 1,-0.3 -1,-0.3 0.717 108.1 46.3 -72.4 -17.1 9.4 27.1 51.8 411 200 B L G <4 S+ 0 0 86 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.477 94.6 82.4 -95.0 -6.2 6.3 28.7 53.3 412 201 B S S << S- 0 0 66 -3,-1.1 -2,-0.1 -4,-0.5 -1,-0.1 0.483 86.6-135.6 -85.4 -11.1 8.3 30.3 56.2 413 202 B G + 0 0 50 -4,-0.3 2,-1.0 -3,-0.2 -3,-0.1 0.480 59.8 135.1 68.8 4.1 9.7 33.4 54.5 414 203 B D > - 0 0 62 -5,-0.4 4,-2.6 1,-0.2 5,-0.2 -0.733 38.2-167.4 -91.8 99.9 13.1 32.8 56.1 415 204 B H H > S+ 0 0 149 -2,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.843 84.5 49.3 -59.8 -38.8 15.5 33.3 53.2 416 205 B A H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.942 113.4 46.0 -64.7 -47.8 18.6 31.8 55.0 417 206 B K H > S+ 0 0 135 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.865 114.4 48.9 -63.0 -39.3 16.6 28.7 56.1 418 207 B I H X S+ 0 0 6 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.922 111.4 48.8 -65.4 -46.4 15.2 28.3 52.5 419 208 B A H X S+ 0 0 60 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.907 114.0 47.2 -59.7 -41.2 18.7 28.7 50.9 420 209 B A H X S+ 0 0 62 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.898 112.6 47.9 -69.8 -43.4 20.1 26.1 53.3 421 210 B W H X S+ 0 0 58 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.912 113.0 49.0 -63.3 -43.6 17.3 23.7 52.8 422 211 B R H X S+ 0 0 86 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.887 110.4 50.1 -63.6 -39.5 17.6 24.1 49.0 423 212 B A H X S+ 0 0 38 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.910 112.8 47.8 -65.4 -41.6 21.4 23.6 49.1 424 213 B E H X S+ 0 0 117 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.920 110.9 49.6 -64.8 -47.2 20.9 20.4 51.2 425 214 B Q H X S+ 0 0 42 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.871 109.8 52.5 -58.9 -40.8 18.2 19.1 48.9 426 215 B S H X S+ 0 0 11 -4,-2.2 4,-2.0 2,-0.2 -36,-0.5 0.934 112.0 44.7 -60.4 -46.7 20.4 19.7 45.9 427 216 B R H X S+ 0 0 116 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.919 113.6 50.5 -66.0 -39.9 23.3 17.8 47.5 428 217 B Q H X S+ 0 0 111 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.915 112.5 46.1 -61.8 -46.1 21.0 14.9 48.6 429 218 B R H X S+ 0 0 31 -4,-2.5 4,-3.0 -5,-0.2 5,-0.5 0.899 111.5 53.8 -63.5 -36.3 19.5 14.5 45.1 430 219 B T H X S+ 0 0 0 -4,-2.0 4,-2.4 -40,-0.2 7,-0.2 0.931 108.6 47.2 -66.8 -43.5 23.0 14.7 43.6 431 220 B I H < S+ 0 0 75 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.890 117.9 43.4 -67.6 -33.6 24.3 11.8 45.8 432 221 B E H < S+ 0 0 117 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.925 129.7 21.9 -73.7 -47.4 21.3 9.7 45.0 433 222 B R H < S+ 0 0 27 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.748 137.7 20.3 -95.2 -30.9 21.0 10.3 41.3 434 223 B R >< + 0 0 12 -4,-2.4 3,-1.8 -5,-0.5 4,-0.5 -0.408 59.2 159.7-141.4 59.6 24.4 11.4 40.2 435 224 B P G > >S+ 0 0 26 0, 0.0 5,-2.1 0, 0.0 3,-1.3 0.792 73.2 70.6 -60.7 -25.3 27.0 10.4 42.7 436 225 B D G > 5S+ 0 0 61 1,-0.2 3,-1.6 3,-0.2 6,-0.1 0.840 88.5 62.7 -54.2 -34.9 29.7 10.8 39.9 437 226 B L G < 5S+ 0 0 55 -3,-1.8 -1,-0.2 1,-0.3 -6,-0.1 0.756 106.5 44.0 -65.6 -23.0 29.2 14.6 40.1 438 227 B L G < 5S- 0 0 68 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.220 127.3 -98.8-105.4 9.0 30.5 14.5 43.8 439 228 B G T < 5S+ 0 0 67 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.816 80.9 128.5 79.4 34.7 33.4 12.1 42.9 440 229 B F < - 0 0 123 -5,-2.1 -1,-0.3 -6,-0.1 -2,-0.1 -0.811 66.5 -83.8-114.4 161.0 31.8 8.9 44.0 441 230 B D 0 0 151 -2,-0.3 -1,-0.1 1,-0.1 -5,-0.0 -0.322 360.0 360.0 -57.2 141.1 31.4 5.5 42.2 442 231 B S 0 0 135 -7,-0.1 -1,-0.1 -6,-0.1 -8,-0.0 -0.576 360.0 360.0 -77.4 360.0 28.4 5.2 39.9