==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 17-APR-01 1IG9 . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.C.FRANKLIN,J.WANG,T.A.STEITZ . 901 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 629 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 64 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 3 0 2 2 4 1 0 3 1 3 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 0 2 1 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 PARALLEL BRIDGES PER LADDER . 4 2 4 3 4 2 3 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 5 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 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 M 0 0 98 0, 0.0 23,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 162.0 36.7 39.2 29.7 2 2 A K - 0 0 115 1,-0.1 100,-0.0 100,-0.0 99,-0.0 -0.364 360.0-120.4 -59.8 131.4 35.1 42.6 29.0 3 3 A E - 0 0 58 -2,-0.1 99,-0.3 100,-0.1 2,-0.3 -0.194 32.2-176.6 -70.2 165.4 34.0 44.3 32.3 4 4 A F E -A 20 0A 0 16,-1.5 16,-2.5 97,-0.1 2,-0.1 -0.968 22.4-109.8-162.2 148.4 30.4 45.2 33.0 5 5 A Y E -A 19 0A 1 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.348 15.2-171.2 -82.2 163.6 28.5 47.0 35.8 6 6 A L E S- 0 0 1 12,-2.9 349,-0.4 1,-0.5 2,-0.3 0.690 71.3 -12.4-112.6 -64.6 26.0 45.6 38.3 7 7 A T E -A 18 0A 5 11,-1.6 11,-2.2 347,-0.1 -1,-0.5 -0.959 56.1-163.8-140.5 159.6 24.5 48.7 40.0 8 8 A V E +A 17 0A 2 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.997 9.2 176.9-145.8 138.3 25.3 52.4 40.1 9 9 A E E -A 16 0A 15 7,-1.9 7,-2.7 -2,-0.3 2,-0.5 -0.967 23.6-136.4-140.5 155.7 24.1 55.1 42.5 10 10 A Q E +A 15 0A 59 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.968 24.0 175.4-113.8 124.8 24.7 58.8 43.1 11 11 A I E > -A 14 0A 30 3,-3.1 3,-1.9 -2,-0.5 2,-0.2 -0.925 60.0 -55.5-133.5 107.2 25.1 59.8 46.7 12 12 A G T 3 S- 0 0 56 -2,-0.4 53,-0.0 1,-0.3 -1,-0.0 -0.431 121.5 -15.5 62.9-126.2 26.0 63.5 47.3 13 13 A D T 3 S+ 0 0 66 -2,-0.2 2,-0.3 52,-0.1 52,-0.3 0.178 126.2 78.4 -95.6 17.7 29.2 64.3 45.3 14 14 A S E < -A 11 0A 19 -3,-1.9 -3,-3.1 18,-0.2 2,-0.5 -0.889 65.5-139.4-130.3 159.4 30.0 60.6 44.7 15 15 A I E -AB 10 31A 0 16,-3.1 16,-2.6 -2,-0.3 2,-0.6 -0.959 14.4-155.4-116.2 126.7 29.1 57.7 42.6 16 16 A F E -AB 9 30A 30 -7,-2.7 -7,-1.9 -2,-0.5 2,-0.4 -0.906 17.4-179.4-107.2 117.0 28.8 54.2 44.0 17 17 A E E -AB 8 29A 0 12,-2.6 12,-2.2 -2,-0.6 2,-0.5 -0.926 20.4-165.5-121.5 140.4 29.3 51.2 41.6 18 18 A R E +AB 7 28A 2 -11,-2.2 -12,-2.9 -2,-0.4 -11,-1.6 -0.980 32.6 157.9-115.5 129.1 29.2 47.5 42.0 19 19 A Y E -AB 5 27A 20 8,-2.0 8,-3.6 -2,-0.5 2,-0.5 -0.930 44.5-111.9-148.0 171.3 30.7 45.7 39.0 20 20 A I E -AB 4 26A 2 -16,-2.5 -16,-1.5 -2,-0.3 6,-0.2 -0.936 38.9-145.2-107.6 126.4 32.3 42.6 37.7 21 21 A D > - 0 0 12 4,-2.1 3,-2.4 -2,-0.5 -1,-0.0 -0.181 36.1 -82.2 -85.9-179.0 36.0 43.0 36.8 22 22 A S T 3 S+ 0 0 57 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.716 131.3 52.1 -54.7 -21.8 38.2 41.5 34.1 23 23 A N T 3 S- 0 0 125 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.453 117.5-109.9 -96.5 -2.7 38.5 38.4 36.4 24 24 A G S < S+ 0 0 16 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.527 72.6 137.0 87.6 4.5 34.8 37.9 37.0 25 25 A R - 0 0 167 1,-0.0 -4,-2.1 -5,-0.0 2,-0.5 -0.635 58.6-117.6 -87.3 143.4 35.0 39.0 40.6 26 26 A E E +B 20 0A 77 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.2 -0.690 44.0 172.3 -81.1 122.8 32.3 41.3 42.1 27 27 A R E -B 19 0A 129 -8,-3.6 -8,-2.0 -2,-0.5 2,-0.3 -0.715 21.0-148.6-123.8 174.4 33.9 44.5 43.2 28 28 A T E +B 18 0A 78 -10,-0.2 2,-0.3 -2,-0.2 -10,-0.2 -0.988 15.4 175.2-144.6 146.2 32.7 47.9 44.5 29 29 A R E -B 17 0A 78 -12,-2.2 -12,-2.6 -2,-0.3 2,-0.6 -0.989 24.3-140.8-151.8 153.6 34.1 51.4 44.2 30 30 A E E -B 16 0A 122 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.931 25.7-167.4-120.4 105.2 33.2 55.0 45.1 31 31 A V E -B 15 0A 47 -16,-2.6 -16,-3.1 -2,-0.6 2,-1.6 -0.748 26.0-141.4-100.4 140.0 34.1 57.5 42.4 32 32 A E - 0 0 166 -2,-0.4 -18,-0.2 -18,-0.2 -1,-0.0 -0.653 36.9-155.1 -90.8 73.4 34.2 61.3 42.7 33 33 A Y - 0 0 25 -2,-1.6 32,-0.5 1,-0.1 59,-0.0 -0.299 8.9-147.4 -57.8 128.4 32.8 61.6 39.2 34 34 A K - 0 0 125 30,-0.1 29,-0.1 31,-0.1 -1,-0.1 -0.858 22.0-153.4-101.6 97.8 33.7 64.9 37.5 35 35 A P - 0 0 1 0, 0.0 27,-2.0 0, 0.0 2,-0.4 -0.108 2.7-147.7 -65.1 166.6 30.6 65.6 35.3 36 36 A S E +C 61 0B 33 25,-0.2 49,-0.3 49,-0.2 25,-0.2 -0.936 17.6 174.4-145.3 116.9 30.8 67.6 32.1 37 37 A L E -C 60 0B 1 23,-1.7 23,-2.7 -2,-0.4 2,-0.3 -0.545 18.6-131.3-111.3-178.2 28.0 69.9 30.7 38 38 A F E -CD 59 83B 26 45,-2.2 45,-1.2 21,-0.2 2,-0.3 -0.927 13.3-168.3-137.8 161.9 27.9 72.2 27.7 39 39 A A E -C 58 0B 11 19,-1.7 19,-2.6 -2,-0.3 43,-0.1 -0.994 35.3-100.9-146.7 143.8 26.9 75.8 26.7 40 40 A H E -C 57 0B 71 41,-0.4 17,-0.2 -2,-0.3 10,-0.0 -0.332 44.4-175.8 -62.8 148.5 26.6 77.5 23.3 41 41 A C - 0 0 21 15,-1.1 -1,-0.0 4,-0.1 0, 0.0 -0.927 35.7 -63.5-141.4 165.4 29.5 79.7 22.4 42 42 A P - 0 0 87 0, 0.0 -1,-0.0 0, 0.0 15,-0.0 -0.164 44.9-120.0 -53.4 140.8 30.5 82.1 19.6 43 43 A E S S+ 0 0 164 1,-0.2 14,-0.1 13,-0.1 -2,-0.0 0.813 111.3 60.2 -51.1 -35.5 30.8 80.5 16.1 44 44 A S S S+ 0 0 111 2,-0.1 -1,-0.2 12,-0.1 -3,-0.0 0.993 84.9 78.5 -55.7 -71.5 34.4 81.7 16.0 45 45 A Q S S- 0 0 95 1,-0.1 2,-0.2 11,-0.1 -4,-0.1 -0.164 80.2-159.3 -41.9 104.7 35.5 79.7 19.1 46 46 A A + 0 0 72 10,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.647 25.5 143.0 -97.7 152.8 35.8 76.3 17.4 47 47 A T - 0 0 53 -2,-0.2 11,-0.1 2,-0.1 3,-0.0 -0.733 57.0 -94.4-156.5-155.9 35.8 72.8 19.0 48 48 A K S S+ 0 0 118 -2,-0.2 2,-0.5 9,-0.2 10,-0.1 0.525 90.4 91.9-114.9 -12.1 34.5 69.3 18.3 49 49 A Y + 0 0 39 8,-0.4 8,-1.8 329,-0.1 2,-0.4 -0.757 46.5 165.7 -92.5 123.2 31.2 69.5 20.2 50 50 A F E -Ef 56 378C 81 327,-1.1 329,-1.9 -2,-0.5 -10,-0.0 -0.984 34.4-116.6-133.0 142.6 28.1 70.5 18.3 51 51 A D E > - f 0 379C 8 4,-2.2 3,-2.9 -2,-0.4 4,-0.2 -0.283 43.1 -92.0 -73.8 167.1 24.5 70.2 19.3 52 52 A I T 3 S+ 0 0 11 327,-1.1 -1,-0.1 1,-0.3 328,-0.1 0.716 128.5 53.9 -52.0 -22.6 22.1 68.0 17.4 53 53 A Y T 3 S- 0 0 143 2,-0.1 -1,-0.3 376,-0.0 -2,-0.0 0.500 124.6 -99.4 -92.1 -4.0 21.2 71.1 15.3 54 54 A G S < S+ 0 0 50 -3,-2.9 -2,-0.1 1,-0.3 324,-0.0 0.735 72.2 142.8 95.7 26.6 24.8 71.9 14.4 55 55 A K - 0 0 94 -4,-0.2 -4,-2.2 1,-0.1 -1,-0.3 -0.838 52.3-109.7-104.6 136.0 25.7 74.7 16.8 56 56 A P B -E 50 0C 8 0, 0.0 -15,-1.1 0, 0.0 2,-0.3 -0.232 36.4-169.4 -59.5 145.7 29.1 75.1 18.4 57 57 A C E -C 40 0B 0 -8,-1.8 -8,-0.4 -17,-0.2 2,-0.4 -0.999 18.9-140.8-143.0 139.9 29.5 74.3 22.1 58 58 A T E -C 39 0B 49 -19,-2.6 -19,-1.7 -2,-0.3 2,-0.3 -0.804 26.0-132.7 -96.3 138.2 32.1 74.8 24.8 59 59 A R E -C 38 0B 118 -2,-0.4 2,-0.5 -21,-0.2 -21,-0.2 -0.697 15.0-157.4 -92.8 144.8 32.5 72.0 27.3 60 60 A K E -C 37 0B 89 -23,-2.7 -23,-1.7 -2,-0.3 2,-0.3 -0.971 1.9-155.9-126.4 118.6 32.7 72.6 31.0 61 61 A L E -C 36 0B 80 -2,-0.5 2,-0.4 -25,-0.2 -25,-0.2 -0.710 16.4-149.3 -89.5 142.1 34.3 70.2 33.5 62 62 A F - 0 0 19 -27,-2.0 3,-0.1 -2,-0.3 6,-0.1 -0.912 20.7-128.9-118.2 143.8 33.1 70.5 37.1 63 63 A A S S- 0 0 69 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.838 90.8 -16.5 -52.1 -38.4 34.8 69.8 40.4 64 64 A N S > S- 0 0 39 -30,-0.1 4,-1.5 1,-0.1 3,-0.5 -0.977 73.6 -92.9-162.1 166.9 31.9 67.6 41.4 65 65 A M H > S+ 0 0 1 -32,-0.5 4,-1.7 -52,-0.3 5,-0.1 0.834 119.4 59.5 -56.4 -35.7 28.3 66.8 40.6 66 66 A R H > S+ 0 0 140 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 104.8 48.2 -61.3 -43.7 27.0 69.4 43.2 67 67 A D H > S+ 0 0 72 -3,-0.5 4,-0.9 1,-0.2 -1,-0.2 0.846 111.0 51.9 -66.3 -32.3 28.8 72.2 41.4 68 68 A A H X S+ 0 0 0 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.789 108.0 51.7 -73.8 -28.5 27.4 71.1 38.1 69 69 A S H X S+ 0 0 48 -4,-1.7 4,-1.4 2,-0.2 3,-0.4 0.916 109.2 48.9 -72.8 -43.8 23.8 71.0 39.5 70 70 A Q H X S+ 0 0 44 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.726 107.6 57.6 -67.5 -21.2 24.1 74.6 40.9 71 71 A W H X S+ 0 0 21 -4,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.813 102.7 52.2 -78.5 -31.3 25.4 75.6 37.4 72 72 A I H X S+ 0 0 34 -4,-1.0 4,-1.1 -3,-0.4 -2,-0.2 0.857 112.1 47.1 -71.9 -33.0 22.3 74.3 35.7 73 73 A K H >X S+ 0 0 105 -4,-1.4 4,-2.5 2,-0.2 3,-0.6 0.938 111.8 48.7 -71.3 -49.1 20.2 76.4 38.2 74 74 A R H 3< S+ 0 0 135 -4,-2.2 4,-0.2 1,-0.2 -2,-0.2 0.884 108.8 56.2 -57.0 -39.0 22.3 79.5 37.7 75 75 A M H 3X>S+ 0 0 20 -4,-2.1 5,-2.0 1,-0.2 4,-1.8 0.802 110.9 42.3 -64.5 -31.9 22.0 79.0 33.9 76 76 A E H <<5S+ 0 0 97 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.822 104.1 63.6 -83.9 -32.3 18.2 79.0 34.1 77 77 A D T <5S+ 0 0 128 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.543 114.2 38.8 -65.6 -5.0 18.1 81.9 36.5 78 78 A I T 45S- 0 0 122 -3,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.723 113.0-115.0-111.5 -42.5 19.7 83.7 33.5 79 79 A G T <5 + 0 0 61 -4,-1.8 2,-0.3 1,-0.4 -3,-0.2 0.593 68.7 124.2 113.8 16.3 17.8 82.2 30.6 80 80 A L < - 0 0 104 -5,-2.0 -1,-0.4 1,-0.0 -2,-0.2 -0.817 63.8-102.5-109.4 149.2 20.5 80.3 28.6 81 81 A E - 0 0 76 -2,-0.3 2,-0.6 1,-0.1 -41,-0.4 -0.424 22.6-156.8 -72.4 141.2 20.5 76.7 27.6 82 82 A A - 0 0 4 -2,-0.1 -43,-0.2 -43,-0.1 -1,-0.1 -0.856 20.5-165.3-118.3 91.8 22.5 74.2 29.6 83 83 A L B +D 38 0B 0 -45,-1.2 -45,-2.2 -2,-0.6 2,-0.1 -0.175 36.4 62.3 -76.8 168.8 23.2 71.2 27.3 84 84 A G S S- 0 0 7 296,-2.2 2,-0.8 -47,-0.2 -47,-0.1 -0.379 91.7 -41.6 108.3 172.8 24.4 67.7 28.2 85 85 A M - 0 0 9 -49,-0.3 -49,-0.2 1,-0.2 6,-0.1 -0.669 44.1-173.5 -81.1 107.6 23.3 64.7 30.3 86 86 A D S S+ 0 0 86 -2,-0.8 2,-1.3 1,-0.1 -1,-0.2 0.688 70.5 80.7 -73.8 -20.7 21.9 66.0 33.6 87 87 A D > - 0 0 22 1,-0.2 4,-1.5 2,-0.0 3,-0.4 -0.768 66.0-170.7 -87.8 96.8 21.5 62.4 35.0 88 88 A F H > S+ 0 0 7 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.710 77.1 66.6 -64.4 -21.2 25.1 62.0 36.0 89 89 A K H > S+ 0 0 36 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.963 105.2 42.8 -63.5 -49.9 24.6 58.3 36.7 90 90 A L H > S+ 0 0 4 -3,-0.4 4,-2.9 1,-0.2 -2,-0.2 0.873 112.1 53.2 -62.4 -41.2 24.0 57.5 33.0 91 91 A A H X S+ 0 0 9 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.910 106.7 54.7 -60.9 -41.4 26.9 59.8 31.9 92 92 A Y H X S+ 0 0 7 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.896 110.7 43.5 -59.4 -44.0 29.1 57.9 34.3 93 93 A L H X S+ 0 0 0 -4,-1.7 4,-3.3 2,-0.2 -2,-0.2 0.966 111.1 54.7 -66.9 -50.3 28.2 54.5 32.7 94 94 A S H < S+ 0 0 0 -4,-2.9 -2,-0.2 258,-0.2 -1,-0.2 0.848 114.8 41.3 -49.1 -40.5 28.5 55.9 29.2 95 95 A D H >< S+ 0 0 80 -4,-2.3 3,-0.7 -5,-0.2 -1,-0.2 0.951 117.1 46.3 -72.2 -54.1 32.1 57.1 30.1 96 96 A T H 3< S+ 0 0 47 -4,-2.8 2,-0.2 1,-0.2 -2,-0.2 0.788 120.7 37.1 -61.1 -33.1 33.1 54.0 32.0 97 97 A Y T 3< + 0 0 1 -4,-3.3 2,-2.5 -5,-0.2 -1,-0.2 -0.487 62.4 166.4-123.4 66.0 31.8 51.5 29.4 98 98 A N < + 0 0 80 -3,-0.7 2,-0.3 -2,-0.2 -4,-0.1 -0.376 57.9 69.9 -78.6 65.5 32.3 52.9 25.9 99 99 A Y S S- 0 0 58 -2,-2.5 2,-0.2 -5,-0.0 3,-0.0 -0.936 99.0 -78.0-172.3 152.2 31.6 49.6 24.2 100 100 A E - 0 0 181 -2,-0.3 2,-0.3 1,-0.1 250,-0.1 -0.416 59.2-121.9 -58.0 120.0 28.7 47.2 23.5 101 101 A I - 0 0 17 248,-0.5 2,-0.6 -2,-0.2 -1,-0.1 -0.550 28.2-172.5 -75.6 128.4 28.3 45.5 26.8 102 102 A K - 0 0 143 -2,-0.3 2,-0.2 -99,-0.3 -100,-0.0 -0.957 18.2-177.8-118.1 105.0 28.6 41.7 26.8 103 103 A Y - 0 0 43 -2,-0.6 2,-0.5 242,-0.0 -100,-0.1 -0.630 25.4-135.3-105.4 165.2 27.6 40.5 30.2 104 104 A D > - 0 0 39 -2,-0.2 3,-2.1 1,-0.1 4,-0.4 -0.929 7.8-161.7-123.1 105.8 27.5 37.1 31.8 105 105 A H G > S+ 0 0 113 -2,-0.5 3,-1.3 1,-0.3 5,-0.1 0.753 86.2 70.7 -57.6 -28.3 24.4 36.4 33.8 106 106 A T G 3 S+ 0 0 81 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.663 100.7 50.3 -65.5 -10.8 26.0 33.5 35.8 107 107 A K G < S+ 0 0 69 -3,-2.1 2,-0.5 2,-0.1 -1,-0.3 0.576 91.8 88.7 -98.8 -14.5 28.0 36.2 37.5 108 108 A I S < S- 0 0 1 -3,-1.3 2,-1.0 -4,-0.4 -102,-0.0 -0.748 78.0-134.0 -86.9 124.8 25.0 38.4 38.4 109 109 A R - 0 0 36 -2,-0.5 102,-2.7 100,-0.2 103,-1.7 -0.687 23.1-172.2 -85.3 105.0 23.5 37.5 41.7 110 110 A V E -g 212 0D 26 -2,-1.0 31,-2.1 101,-0.2 2,-0.4 -0.865 6.6-162.1 -98.1 118.7 19.7 37.3 41.3 111 111 A A E -gH 213 140D 0 101,-2.8 103,-2.6 -2,-0.6 2,-0.4 -0.813 7.4-171.5-103.1 143.5 17.9 36.9 44.6 112 112 A N E +gH 214 139D 7 27,-2.4 27,-4.1 -2,-0.4 2,-0.3 -0.996 19.2 155.4-134.6 123.7 14.4 35.6 45.0 113 113 A F E - H 0 138D 3 101,-1.3 103,-0.4 -2,-0.4 2,-0.3 -0.962 25.7-172.9-151.8 170.7 12.5 35.6 48.2 114 114 A D E - H 0 137D 35 23,-1.9 23,-2.4 -2,-0.3 2,-0.3 -0.972 14.3-154.8-156.2 150.2 9.3 35.7 50.3 115 115 A I E - H 0 136D 3 -2,-0.3 2,-0.4 21,-0.2 21,-0.2 -0.846 6.9-139.6-128.6 166.3 8.5 36.0 54.0 116 116 A E E - H 0 135D 43 19,-2.2 18,-1.6 -2,-0.3 19,-1.0 -0.962 12.7-175.4-128.6 146.2 5.7 35.0 56.3 117 117 A V E - H 0 133D 17 -2,-0.4 2,-0.2 16,-0.2 16,-0.2 -0.898 18.7-141.6-144.6 110.8 4.1 36.9 59.2 118 118 A T + 0 0 8 14,-0.5 192,-0.1 -2,-0.3 3,-0.1 -0.489 29.0 168.5 -69.4 138.9 1.5 35.4 61.5 119 119 A S + 0 0 10 -2,-0.2 191,-0.1 1,-0.1 192,-0.1 -0.739 26.0 177.0-158.8 103.8 -1.1 38.0 62.4 120 120 A P S S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.795 85.3 66.8 -74.4 -27.8 -4.5 37.3 64.1 121 121 A D S S- 0 0 75 1,-0.1 2,-0.2 -3,-0.1 -2,-0.1 0.967 115.9 -87.0 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-U 708 0H 75 -20,-2.7 -20,-1.3 -2,-0.4 3,-0.1 -0.992 63.9 -17.7-131.1 129.4 -11.5 41.0 19.3 729 729 A G S S+ 0 0 32 -2,-0.4 -22,-0.1 -22,-0.2 -20,-0.1 0.261 91.5 126.9 65.6 -12.8 -13.1 43.4 21.9 730 730 A L S > S- 0 0 0 -22,-0.3 3,-2.2 1,-0.1 4,-0.4 -0.258 80.3 -95.1 -72.4 167.7 -16.2 41.2 22.6 731 731 A E G > S+ 0 0 46 1,-0.3 3,-2.0 2,-0.2 6,-0.3 0.829 120.1 70.7 -51.9 -35.1 -17.0 40.3 26.2 732 732 A T G 3 S+ 0 0 12 1,-0.3 -1,-0.3 10,-0.1 14,-0.1 0.729 98.9 49.6 -55.1 -24.1 -15.2 36.9 25.9 733 733 A Q G < S+ 0 0 97 -3,-2.2 2,-0.4 3,-0.0 -1,-0.3 0.505 92.8 96.6 -94.6 -6.0 -11.9 38.9 25.8 734 734 A K X - 0 0 111 -3,-2.0 3,-1.0 -4,-0.4 8,-0.1 -0.719 64.5-146.8 -95.6 136.9 -12.5 41.0 28.9 735 735 A S T 3 S+ 0 0 27 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.690 96.3 65.3 -66.4 -20.1 -11.3 40.3 32.4 736 736 A S T 3 S+ 0 0 53 45,-0.1 46,-2.5 2,-0.1 -1,-0.2 0.712 82.3 84.1 -77.4 -22.6 -14.4 41.9 33.9 737 737 A T S < S- 0 0 16 -3,-1.0 5,-0.1 -6,-0.3 44,-0.1 -0.688 95.4 -98.8 -84.9 132.0 -16.9 39.3 32.5 738 738 A P >> - 0 0 0 0, 0.0 4,-2.3 0, 0.0 3,-0.6 -0.148 28.2-118.1 -50.4 139.6 -17.2 36.2 34.7 739 739 A K H 3> S+ 0 0 85 38,-0.3 4,-2.3 41,-0.3 5,-0.2 0.840 112.7 53.4 -47.3 -45.9 -15.1 33.1 33.7 740 740 A A H 3> S+ 0 0 14 38,-3.1 4,-2.2 1,-0.2 -1,-0.3 0.912 111.0 47.0 -59.8 -42.4 -18.2 30.9 33.1 741 741 A V H <> S+ 0 0 0 37,-0.6 4,-3.6 -3,-0.6 5,-0.3 0.880 108.8 53.8 -68.9 -37.3 -19.7 33.5 30.8 742 742 A Q H X S+ 0 0 31 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.952 113.0 44.3 -60.4 -46.6 -16.5 34.0 28.8 743 743 A K H X S+ 0 0 167 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.879 117.5 45.1 -64.4 -39.5 -16.4 30.2 28.2 744 744 A A H X S+ 0 0 2 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.934 112.8 48.8 -71.7 -47.0 -20.1 30.1 27.4 745 745 A L H X S+ 0 0 0 -4,-3.6 4,-2.3 1,-0.2 -2,-0.2 0.876 110.3 53.3 -60.4 -38.0 -20.1 33.1 25.2 746 746 A K H X S+ 0 0 97 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.840 107.8 50.1 -66.6 -34.5 -17.1 31.7 23.3 747 747 A E H X S+ 0 0 39 -4,-1.3 4,-2.8 2,-0.2 5,-0.3 0.914 109.4 51.2 -70.8 -39.8 -18.9 28.5 22.7 748 748 A C H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.924 112.5 46.9 -59.9 -44.5 -21.9 30.3 21.4 749 749 A I H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 5,-0.2 0.916 110.8 51.8 -63.6 -44.7 -19.6 32.2 19.0 750 750 A R H X>S+ 0 0 66 -4,-2.4 4,-2.9 1,-0.2 5,-0.6 0.933 113.3 43.6 -58.5 -47.7 -17.8 29.1 17.9 751 751 A R H X5S+ 0 0 39 -4,-2.8 4,-0.7 1,-0.2 9,-0.2 0.856 111.2 56.8 -65.7 -33.9 -21.1 27.4 17.1 752 752 A M H <5S+ 0 0 0 -4,-2.2 -54,-1.6 -5,-0.3 -1,-0.2 0.760 118.5 30.4 -69.0 -26.7 -22.3 30.5 15.5 753 753 A L H <5S+ 0 0 0 -4,-1.6 -54,-1.7 -3,-0.4 -2,-0.2 0.831 128.9 33.0-102.0 -40.8 -19.4 30.6 13.1 754 754 A Q H <5S+ 0 0 28 -4,-2.9 -57,-0.9 -5,-0.2 -58,-0.3 0.902 129.0 25.5 -83.1 -45.4 -18.4 27.0 12.5 755 755 A E S < - 0 0 7 -59,-0.2 4,-1.2 -2,-0.2 3,-0.2 -0.018 42.6 -79.8 -91.7-165.2 -25.2 27.1 12.0 757 757 A E H > S+ 0 0 82 -61,-0.3 4,-1.9 1,-0.2 5,-0.2 0.713 122.5 63.3 -65.6 -22.6 -28.0 28.9 13.9 758 758 A E H > S+ 0 0 158 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.933 101.4 46.9 -70.3 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51.0 -52.4 -41.4 -29.6 28.9 30.3 769 769 A K H < S+ 0 0 147 -4,-1.9 3,-0.3 -5,-0.2 -1,-0.2 0.858 117.9 34.5 -67.9 -37.7 -30.9 25.8 31.8 770 770 A E H >< S+ 0 0 97 -4,-1.7 3,-2.9 -3,-0.3 4,-0.3 0.676 86.2 102.0 -93.0 -18.2 -27.8 24.8 33.8 771 771 A F G >< S+ 0 0 4 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.737 71.7 67.0 -32.5 -42.1 -26.6 28.3 34.6 772 772 A R G 3 S+ 0 0 132 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.669 95.2 54.1 -61.5 -22.1 -27.9 28.0 38.2 773 773 A Q G < S+ 0 0 138 -3,-2.9 -1,-0.2 2,-0.1 -2,-0.2 0.415 79.1 113.9 -97.4 4.0 -25.5 25.3 39.3 774 774 A L S < S- 0 0 57 -3,-1.4 2,-0.1 -4,-0.3 5,-0.1 -0.372 79.3 -94.3 -70.1 153.7 -22.2 27.1 38.4 775 775 A N >> - 0 0 82 1,-0.1 4,-0.8 -2,-0.0 3,-0.7 -0.389 30.7-122.3 -67.5 145.2 -19.9 28.1 41.2 776 776 A Y G >4 S+ 0 0 7 1,-0.2 3,-1.2 2,-0.2 4,-0.5 0.904 109.8 56.9 -58.0 -42.8 -20.4 31.7 42.4 777 777 A I G >4 S+ 0 0 36 1,-0.3 3,-0.5 2,-0.2 -38,-0.3 0.827 105.9 51.1 -58.3 -32.3 -16.7 32.6 41.8 778 778 A S G <4 S+ 0 0 28 -3,-0.7 -38,-3.1 1,-0.2 -37,-0.6 0.620 113.1 44.0 -82.4 -13.0 -17.1 31.6 38.1 779 779 A I G << S+ 0 0 0 -3,-1.2 2,-0.3 -4,-0.8 -1,-0.2 0.277 91.1 105.1-111.2 7.4 -20.2 33.7 37.5 780 780 A A < - 0 0 1 -3,-0.5 -41,-0.3 -4,-0.5 53,-0.2 -0.652 66.9-131.1 -88.4 145.4 -19.0 36.8 39.3 781 781 A S E -X 832 0J 31 51,-1.7 51,-2.2 -2,-0.3 2,-0.3 -0.493 20.9-137.1 -88.2 165.3 -18.0 39.8 37.3 782 782 A V E +X 831 0J 10 -46,-2.5 2,-0.3 49,-0.2 49,-0.2 -0.901 26.5 159.9-125.9 155.5 -14.7 41.6 38.0 783 783 A S E -X 830 0J 38 47,-1.6 47,-2.7 -2,-0.3 2,-0.2 -0.962 37.7-105.6-167.5 153.1 -13.6 45.2 38.3 784 784 A S E -X 829 0J 41 -2,-0.3 2,-0.7 45,-0.3 45,-0.3 -0.516 29.6-131.3 -82.4 154.2 -10.9 47.4 39.7 785 785 A A + 0 0 0 43,-2.7 42,-3.7 40,-0.2 2,-0.4 -0.824 35.3 166.4-112.6 94.8 -11.6 49.4 42.8 786 786 A N + 0 0 87 -2,-0.7 19,-0.1 1,-0.2 40,-0.0 -0.882 62.4 3.0-111.7 139.0 -10.4 53.0 42.4 787 787 A N S > S+ 0 0 87 -2,-0.4 4,-0.7 3,-0.1 -1,-0.2 0.898 70.6 161.2 60.5 43.6 -11.3 56.0 44.6 788 788 A I T >4 S+ 0 0 3 -3,-0.3 3,-2.2 1,-0.2 -2,-0.1 0.992 72.8 49.8 -55.3 -64.6 -13.3 53.9 47.0 789 789 A A G >4 S+ 0 0 24 1,-0.3 3,-3.0 2,-0.2 4,-0.4 0.816 96.1 72.9 -41.6 -44.4 -13.2 56.5 49.8 790 790 A K G 34 S+ 0 0 141 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.774 107.5 33.1 -45.2 -35.9 -14.3 59.3 47.3 791 791 A Y G << S+ 0 0 37 -3,-2.2 7,-0.5 -4,-0.7 -1,-0.3 0.003 88.6 112.8-111.4 26.7 -17.9 57.9 47.3 792 792 A D <> + 0 0 48 -3,-3.0 4,-2.1 5,-0.1 -2,-0.1 0.931 37.9 173.8 -63.9 -51.2 -17.7 56.7 51.0 793 793 A V T 4 S- 0 0 93 -4,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.859 81.7 -48.0 39.8 48.1 -20.3 59.2 52.4 794 794 A G T 4 S- 0 0 60 1,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.992 115.6 -37.2 59.1 71.3 -20.0 57.4 55.7 795 795 A G T 4 S+ 0 0 28 1,-0.1 -1,-0.2 17,-0.0 -2,-0.2 0.558 123.5 87.0 61.6 13.2 -20.4 53.7 54.8 796 796 A F S < S- 0 0 117 -4,-2.1 -1,-0.1 -3,-0.1 10,-0.0 -0.973 86.2 -82.7-141.2 153.9 -22.9 54.4 52.0 797 797 A P - 0 0 32 0, 0.0 -5,-0.1 0, 0.0 3,-0.1 -0.179 44.2-160.2 -56.4 143.7 -22.9 55.3 48.3 798 798 A G > - 0 0 19 -7,-0.5 3,-1.4 1,-0.2 2,-0.4 -0.111 43.5 -32.2-106.4-155.6 -22.5 58.9 47.3 799 799 A P T 3 S- 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -6,-0.0 -0.515 128.8 -8.8 -68.9 121.2 -23.2 61.0 44.2 800 800 A K T 3 S- 0 0 197 -2,-0.4 -9,-0.0 1,-0.2 -2,-0.0 0.842 88.7-176.3 60.9 35.3 -22.8 59.0 41.0 801 801 A C < - 0 0 16 -3,-1.4 -1,-0.2 1,-0.1 -9,-0.0 -0.528 25.1-117.2 -70.7 119.6 -21.3 56.1 43.0 802 802 A P > - 0 0 37 0, 0.0 4,-3.5 0, 0.0 5,-0.2 -0.148 17.7-116.2 -56.3 143.4 -20.2 53.3 40.6 803 803 A F H > S+ 0 0 67 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.899 114.9 44.3 -48.7 -50.1 -21.8 49.8 40.8 804 804 A H H > S+ 0 0 48 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.906 114.6 48.3 -67.5 -38.8 -18.6 48.1 41.9 805 805 A I H >> S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 3,-1.3 0.966 111.4 51.4 -63.3 -48.1 -17.7 50.8 44.4 806 806 A R H 3X S+ 0 0 55 -4,-3.5 4,-2.0 1,-0.3 5,-0.3 0.958 106.8 53.8 -48.8 -56.9 -21.2 50.6 45.8 807 807 A G H 3X S+ 0 0 0 -4,-2.8 40,-2.7 1,-0.2 4,-0.7 0.715 107.8 52.1 -52.2 -24.6 -20.9 46.8 46.1 808 808 A I H XX S+ 0 0 0 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