==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 21-FEB-12 4DU4 . COMPND 2 MOLECULE: DNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE RB69; . AUTHOR S.XIA,J.WANG,W.H.KONIGSBERG . 902 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 627 69.5 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 . 120 13.3 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 . 7 0.8 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 . 64 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 305 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.1 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 3 2 0 2 2 3 2 0 2 1 5 1 1 0 0 0 0 0 1 0 0 0 0 0 0 1 2 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 . 3 5 2 3 4 3 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 . 3 3 0 1 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 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 0 108 0, 0.0 2,-0.2 0, 0.0 23,-0.2 0.000 360.0 360.0 360.0 155.7 36.5 20.3 33.3 2 2 A K - 0 0 130 1,-0.1 18,-0.0 21,-0.1 100,-0.0 -0.535 360.0-110.9 -73.7 137.8 35.3 16.7 33.9 3 3 A E - 0 0 62 -2,-0.2 2,-0.3 100,-0.1 99,-0.3 -0.255 35.4-178.8 -66.8 152.7 33.9 14.9 30.9 4 4 A F E -A 20 0A 0 16,-1.5 16,-3.0 97,-0.1 2,-0.1 -0.983 24.4-111.7-149.9 151.8 30.2 14.0 30.4 5 5 A Y E -A 19 0A 1 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.344 16.3-171.3 -78.2 159.5 28.2 12.3 27.7 6 6 A L E S- 0 0 0 12,-3.4 349,-0.3 1,-0.5 2,-0.3 0.704 71.5 -4.8-110.2 -61.4 25.6 13.8 25.4 7 7 A T E -A 18 0A 2 11,-1.6 11,-1.9 347,-0.1 -1,-0.5 -0.946 57.1-165.1-135.1 156.7 24.0 10.7 23.7 8 8 A V E +A 17 0A 1 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.996 10.6 172.3-142.4 137.2 24.6 7.0 23.6 9 9 A E E -A 16 0A 11 7,-1.9 7,-2.9 -2,-0.3 2,-0.6 -0.994 25.3-138.9-140.6 147.2 23.3 4.3 21.2 10 10 A Q E +A 15 0A 62 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.950 23.8 173.1-103.4 122.1 23.9 0.6 20.6 11 11 A I E > -A 14 0A 38 3,-2.9 3,-2.0 -2,-0.6 2,-0.2 -0.931 64.0 -55.3-129.3 104.7 24.1 -0.3 16.9 12 12 A G T 3 S- 0 0 31 -2,-0.4 53,-0.0 1,-0.3 0, 0.0 -0.456 121.1 -17.9 61.8-124.2 25.1 -4.0 16.5 13 13 A D T 3 S+ 0 0 35 -2,-0.2 20,-0.4 52,-0.1 2,-0.4 0.283 122.5 92.8 -95.4 11.6 28.4 -4.5 18.3 14 14 A S E < -A 11 0A 13 -3,-2.0 -3,-2.9 18,-0.2 2,-0.6 -0.870 61.2-151.3-112.2 136.4 29.1 -0.8 18.4 15 15 A I E -AB 10 31A 0 16,-3.1 16,-2.9 -2,-0.4 2,-0.6 -0.923 16.5-157.5 -93.6 124.6 28.4 1.8 21.1 16 16 A F E -AB 9 30A 39 -7,-2.9 -7,-1.9 -2,-0.6 2,-0.4 -0.947 17.2-178.2-104.3 120.0 28.0 5.2 19.4 17 17 A E E -AB 8 29A 0 12,-2.5 12,-2.6 -2,-0.6 2,-0.5 -0.974 21.7-165.9-129.3 123.8 28.6 8.1 21.8 18 18 A R E +AB 7 28A 1 -11,-1.9 -12,-3.4 -2,-0.4 -11,-1.6 -0.912 32.2 159.5 -99.0 133.3 28.5 11.8 21.5 19 19 A Y E -AB 5 27A 11 8,-3.2 8,-3.2 -2,-0.5 2,-0.5 -0.958 44.3-111.5-148.7 167.2 30.2 13.6 24.4 20 20 A I E -AB 4 26A 2 -16,-3.0 -16,-1.5 -2,-0.3 6,-0.2 -0.918 39.9-143.5-101.7 125.4 31.8 16.7 25.8 21 21 A D > - 0 0 12 4,-2.8 3,-1.9 -2,-0.5 -17,-0.0 -0.148 32.6 -84.7 -83.7-179.2 35.6 16.3 26.4 22 22 A S T 3 S+ 0 0 64 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.746 130.7 48.3 -59.4 -27.9 37.9 17.7 29.1 23 23 A N T 3 S- 0 0 121 2,-0.1 -1,-0.3 0, 0.0 -21,-0.1 0.523 122.5-106.6 -87.4 -8.6 38.4 21.0 27.1 24 24 A G S < S+ 0 0 8 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.670 73.4 137.5 92.3 20.0 34.6 21.3 26.7 25 25 A R - 0 0 161 1,-0.0 -4,-2.8 0, 0.0 2,-0.3 -0.751 57.1-110.6 -97.6 144.6 34.4 20.4 23.0 26 26 A E E +B 20 0A 68 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.575 43.0 172.1 -72.6 131.7 31.8 18.1 21.4 27 27 A R E -B 19 0A 125 -8,-3.2 -8,-3.2 -2,-0.3 2,-0.4 -0.930 22.5-150.6-136.7 157.6 33.2 14.7 20.2 28 28 A T E +B 18 0A 76 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.995 17.8 179.6-127.1 136.7 31.7 11.5 18.8 29 29 A R E -B 17 0A 70 -12,-2.6 -12,-2.5 -2,-0.4 2,-0.5 -0.995 20.8-142.9-137.2 146.8 33.4 8.1 19.2 30 30 A E E -B 16 0A 121 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.933 21.7-170.2-106.1 128.9 32.5 4.5 18.1 31 31 A V E -B 15 0A 45 -16,-2.9 -16,-3.1 -2,-0.5 2,-1.9 -0.971 27.4-143.5-126.3 122.2 33.4 1.7 20.6 32 32 A E - 0 0 155 -2,-0.5 -18,-0.2 -18,-0.2 2,-0.1 -0.607 41.2-149.5 -72.6 82.1 33.3 -2.1 20.1 33 33 A Y - 0 0 21 -2,-1.9 32,-0.2 -20,-0.4 55,-0.0 -0.350 13.4-152.6 -69.7 133.8 32.1 -2.5 23.6 34 34 A K - 0 0 134 30,-0.1 29,-0.1 -2,-0.1 -1,-0.1 -0.849 22.2-163.4-107.3 94.1 33.0 -5.6 25.5 35 35 A P - 0 0 1 0, 0.0 27,-2.5 0, 0.0 2,-0.4 -0.247 7.1-141.9 -79.0 163.5 30.2 -6.2 28.1 36 36 A S E +C 61 0B 28 25,-0.2 2,-0.3 49,-0.1 49,-0.2 -0.970 17.5 175.8-122.5 143.6 30.2 -8.5 31.2 37 37 A L E -C 60 0B 1 23,-1.9 23,-3.2 -2,-0.4 2,-0.3 -0.820 19.8-132.7-131.6 177.1 27.5 -10.6 32.6 38 38 A F E -CD 59 83B 25 45,-3.0 45,-2.8 -2,-0.3 2,-0.3 -0.930 12.8-165.5-138.7 153.0 27.6 -13.0 35.6 39 39 A A E -C 58 0B 12 19,-1.5 19,-2.6 -2,-0.3 43,-0.1 -0.988 35.7-100.4-136.0 144.7 26.6 -16.5 36.7 40 40 A H E -C 57 0B 80 41,-0.4 17,-0.2 -2,-0.3 10,-0.0 -0.325 45.0-177.9 -59.3 146.5 26.4 -18.1 40.1 41 41 A C - 0 0 26 15,-1.7 2,-0.1 4,-0.1 -1,-0.0 -0.812 33.3 -66.3-138.3 177.1 29.3 -20.3 41.0 42 42 A P > - 0 0 77 0, 0.0 3,-1.9 0, 0.0 -1,-0.0 -0.376 36.1-124.5 -73.0 151.0 30.4 -22.5 43.9 43 43 A E T 3 S+ 0 0 136 1,-0.3 14,-0.1 -2,-0.1 -2,-0.0 0.821 109.3 68.8 -57.7 -34.1 31.2 -21.0 47.4 44 44 A S T 3 S+ 0 0 119 2,-0.1 2,-0.6 1,-0.0 -1,-0.3 0.580 83.0 92.8 -61.4 -11.2 34.6 -22.7 47.1 45 45 A Q S < S- 0 0 84 -3,-1.9 2,-0.5 11,-0.0 -4,-0.1 -0.799 76.7-135.0 -95.6 117.4 35.5 -20.2 44.4 46 46 A A + 0 0 106 -2,-0.6 2,-0.3 10,-0.0 -2,-0.1 -0.558 42.3 152.3 -69.9 118.5 37.2 -17.0 45.5 47 47 A T - 0 0 39 -2,-0.5 11,-0.1 11,-0.1 3,-0.0 -0.932 49.9-140.5-142.9 164.0 35.6 -14.1 43.7 48 48 A K S S+ 0 0 126 -2,-0.3 2,-0.5 9,-0.1 10,-0.1 0.396 80.6 87.4-102.9 -0.7 35.0 -10.3 44.2 49 49 A Y E +E 57 0B 36 8,-0.5 8,-2.7 329,-0.1 2,-0.4 -0.875 50.1 171.7-109.4 128.3 31.5 -10.5 42.7 50 50 A F E -Ef 56 378B 78 327,-1.3 329,-2.6 -2,-0.5 2,-0.1 -0.973 29.8-123.8-130.0 144.5 28.4 -11.3 44.8 51 51 A D E > - f 0 379B 10 4,-3.2 3,-2.3 -2,-0.4 329,-0.2 -0.307 46.6 -91.2 -74.9 174.7 24.7 -11.1 43.9 52 52 A I T 3 S+ 0 0 10 327,-0.8 -1,-0.1 1,-0.3 328,-0.1 0.678 128.6 55.8 -67.1 -16.9 22.4 -8.9 46.1 53 53 A Y T 3 S- 0 0 133 2,-0.1 -1,-0.3 376,-0.0 -2,-0.0 0.267 123.8-104.2 -94.6 8.5 21.7 -11.9 48.4 54 54 A G S < S+ 0 0 43 -3,-2.3 -2,-0.2 1,-0.3 -5,-0.0 0.646 72.3 146.1 79.0 18.2 25.4 -12.4 48.9 55 55 A K - 0 0 118 1,-0.1 -4,-3.2 -15,-0.0 -1,-0.3 -0.755 53.2-110.1 -88.8 132.2 25.7 -15.4 46.7 56 56 A P E - E 0 50B 5 0, 0.0 -15,-1.7 0, 0.0 2,-0.3 -0.303 37.0-170.2 -67.1 142.7 29.1 -15.6 44.8 57 57 A C E -CE 40 49B 0 -8,-2.7 -8,-0.5 -17,-0.2 2,-0.4 -0.893 16.1-135.8-129.8 159.5 29.2 -15.0 41.1 58 58 A T E -C 39 0B 39 -19,-2.6 -19,-1.5 -2,-0.3 2,-0.3 -0.942 25.1-119.8-117.1 138.3 31.8 -15.4 38.3 59 59 A R E -C 38 0B 116 -2,-0.4 2,-0.6 -21,-0.2 -21,-0.2 -0.582 16.1-160.2 -79.5 133.9 32.3 -12.8 35.6 60 60 A K E -C 37 0B 88 -23,-3.2 -23,-1.9 -2,-0.3 2,-0.6 -0.959 8.2-162.7-109.1 111.3 31.9 -13.6 31.9 61 61 A L E -C 36 0B 101 -2,-0.6 2,-0.3 -25,-0.2 -25,-0.2 -0.862 15.1-149.0 -94.7 120.7 33.7 -11.1 29.7 62 62 A F - 0 0 24 -27,-2.5 3,-0.1 -2,-0.6 4,-0.0 -0.675 20.2-134.3 -99.6 147.4 32.4 -11.2 26.2 63 63 A A S S- 0 0 78 -2,-0.3 2,-0.3 -29,-0.1 -1,-0.1 0.828 89.0 -13.4 -61.9 -35.5 34.2 -10.6 22.9 64 64 A N S > S- 0 0 41 -30,-0.1 4,-1.2 -29,-0.1 -30,-0.1 -0.900 74.8 -93.6-155.0-176.6 31.2 -8.5 21.7 65 65 A M H > S+ 0 0 0 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.827 115.6 56.5 -80.5 -34.3 27.6 -7.6 22.5 66 66 A R H > S+ 0 0 142 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.915 106.4 52.5 -61.7 -43.2 25.8 -10.1 20.3 67 67 A D H > S+ 0 0 63 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.900 108.7 49.7 -59.4 -42.8 27.7 -12.9 22.0 68 68 A A H X S+ 0 0 0 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.909 113.1 46.9 -61.9 -43.0 26.6 -11.6 25.4 69 69 A S H X S+ 0 0 55 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.915 111.5 50.5 -63.3 -46.1 23.0 -11.5 24.1 70 70 A Q H X S+ 0 0 104 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.743 107.2 56.1 -64.4 -25.8 23.3 -15.0 22.7 71 71 A W H X S+ 0 0 25 -4,-1.5 4,-2.5 -5,-0.2 -1,-0.2 0.868 101.6 55.2 -72.5 -39.0 24.6 -16.2 26.0 72 72 A I H X S+ 0 0 34 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.845 108.8 49.6 -62.0 -34.8 21.5 -14.9 27.8 73 73 A K H X S+ 0 0 145 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.921 110.6 48.3 -67.7 -47.0 19.5 -17.1 25.4 74 74 A R H X S+ 0 0 127 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.875 111.7 50.8 -63.1 -37.4 21.6 -20.2 26.0 75 75 A M H X>S+ 0 0 17 -4,-2.5 4,-2.3 2,-0.2 5,-2.0 0.911 108.5 51.6 -65.2 -43.7 21.3 -19.6 29.8 76 76 A E H <5S+ 0 0 139 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.872 109.7 50.3 -57.6 -41.1 17.5 -19.3 29.6 77 77 A D H <5S+ 0 0 131 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.709 112.1 47.3 -71.1 -25.5 17.4 -22.6 27.6 78 78 A I H <5S- 0 0 119 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.822 114.7-117.9 -82.9 -35.7 19.5 -24.4 30.2 79 79 A G T <5 + 0 0 64 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.737 69.2 122.7 102.1 31.4 17.4 -22.9 33.1 80 80 A L < - 0 0 108 -5,-2.0 -1,-0.3 -41,-0.0 -2,-0.2 -0.961 65.5 -97.6-128.6 146.2 20.0 -20.8 35.0 81 81 A E - 0 0 62 -2,-0.3 2,-0.7 1,-0.1 -41,-0.4 -0.313 23.5-154.4 -65.4 130.7 20.1 -17.1 35.9 82 82 A A - 0 0 4 301,-0.1 -43,-0.2 -43,-0.1 2,-0.2 -0.918 24.6-161.2-104.8 104.0 22.1 -14.8 33.7 83 83 A L B +D 38 0B 1 -45,-2.8 -45,-3.0 -2,-0.7 2,-0.1 -0.498 35.9 52.8 -91.7 156.4 23.0 -11.9 36.0 84 84 A G S S- 0 0 4 296,-2.2 2,-0.6 -47,-0.2 -47,-0.1 -0.408 92.8 -37.2 117.4 172.9 24.1 -8.4 35.2 85 85 A M - 0 0 7 -49,-0.2 -49,-0.1 1,-0.2 6,-0.1 -0.595 47.7-178.0 -71.0 112.7 23.1 -5.3 33.2 86 86 A D + 0 0 80 -2,-0.6 2,-1.2 1,-0.1 -1,-0.2 0.595 68.3 79.9 -92.7 -14.8 21.6 -6.6 30.0 87 87 A D S >> S- 0 0 25 1,-0.2 3,-1.6 2,-0.0 4,-1.1 -0.785 72.9-165.2 -87.3 90.1 21.0 -3.1 28.6 88 88 A F H 3> S+ 0 0 5 -2,-1.2 4,-2.8 1,-0.3 -1,-0.2 0.733 77.3 63.0 -57.9 -30.8 24.6 -2.7 27.5 89 89 A K H 3> S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.830 102.4 52.6 -66.2 -29.1 24.5 1.1 26.9 90 90 A L H <> S+ 0 0 4 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.886 110.6 47.0 -70.0 -39.1 23.8 1.6 30.6 91 91 A A H X S+ 0 0 11 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.929 110.8 52.3 -66.2 -45.0 26.8 -0.5 31.5 92 92 A Y H X S+ 0 0 9 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.941 111.6 45.6 -55.3 -52.3 28.9 1.4 29.0 93 93 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.900 112.3 52.4 -56.4 -43.2 27.9 4.7 30.6 94 94 A S H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.861 113.9 42.5 -64.2 -39.3 28.5 3.3 34.0 95 95 A D H >< S+ 0 0 86 -4,-2.7 3,-0.5 1,-0.1 -2,-0.2 0.878 118.1 45.5 -68.3 -41.4 32.0 2.1 33.1 96 96 A T H 3< S+ 0 0 47 -4,-2.8 2,-0.4 1,-0.3 -2,-0.2 0.832 120.9 36.2 -78.3 -33.6 32.8 5.4 31.2 97 97 A Y T 3< + 0 0 2 -4,-2.8 2,-1.6 -5,-0.2 -1,-0.3 -0.649 67.0 164.8-121.4 69.9 31.5 7.8 33.8 98 98 A N < + 0 0 80 -3,-0.5 2,-0.3 -2,-0.4 -4,-0.1 -0.417 58.4 61.5 -86.3 59.7 32.4 6.1 37.1 99 99 A Y S S- 0 0 63 -2,-1.6 2,-0.7 -5,-0.0 -2,-0.0 -0.950 103.7 -68.8-170.0 164.9 31.8 9.3 39.1 100 100 A E - 0 0 176 -2,-0.3 2,-0.2 1,-0.1 250,-0.1 -0.578 59.9-122.2 -69.1 109.1 29.0 11.8 39.9 101 101 A I - 0 0 21 -2,-0.7 2,-0.6 248,-0.4 -97,-0.1 -0.344 26.2-169.8 -60.7 121.0 28.4 13.5 36.6 102 102 A K - 0 0 175 -99,-0.3 2,-0.3 -2,-0.2 -100,-0.1 -0.978 19.0-172.6-107.6 113.7 28.8 17.3 36.8 103 103 A Y - 0 0 46 -2,-0.6 2,-0.5 -99,-0.0 -100,-0.1 -0.739 22.8-141.6-112.0 158.7 27.5 18.6 33.5 104 104 A D > - 0 0 55 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.936 5.4-162.6-123.6 106.7 27.5 22.0 31.8 105 105 A H G > S+ 0 0 120 -2,-0.5 3,-1.5 1,-0.3 5,-0.1 0.761 85.5 70.7 -60.5 -27.9 24.2 22.8 30.0 106 106 A T G 3 S+ 0 0 74 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.735 99.3 50.5 -63.0 -21.6 25.9 25.7 28.0 107 107 A K G < S+ 0 0 69 -3,-1.8 2,-0.6 2,-0.1 -1,-0.3 0.523 91.4 92.1 -89.5 -12.3 27.8 22.9 26.1 108 108 A I S < S- 0 0 0 -3,-1.5 2,-1.0 -4,-0.3 33,-0.0 -0.774 76.9-132.5 -90.9 121.6 24.7 20.9 25.3 109 109 A R - 0 0 38 -2,-0.6 102,-3.0 100,-0.2 103,-2.0 -0.603 25.7-173.6 -77.7 102.8 23.1 21.7 21.9 110 110 A V E -g 212 0C 23 -2,-1.0 31,-2.4 101,-0.2 2,-0.4 -0.871 5.5-163.5 -98.8 119.4 19.4 22.1 22.6 111 111 A A E -gH 213 140C 0 101,-3.4 103,-3.4 -2,-0.6 2,-0.5 -0.890 10.4-172.7-109.3 136.8 17.3 22.6 19.4 112 112 A N E +gH 214 139C 5 27,-2.2 27,-3.7 -2,-0.4 2,-0.3 -0.992 21.5 162.4-127.8 119.8 13.8 23.9 19.3 113 113 A F E - H 0 138C 4 101,-1.7 103,-0.3 -2,-0.5 2,-0.3 -0.953 22.9-178.6-144.6 161.0 12.0 23.8 15.9 114 114 A D E - H 0 137C 33 23,-1.9 23,-2.4 -2,-0.3 2,-0.3 -0.978 13.5-153.4-154.7 148.3 8.7 24.0 14.0 115 115 A I E - H 0 136C 3 -2,-0.3 2,-0.4 21,-0.2 21,-0.3 -0.882 7.5-140.9-124.2 153.8 7.8 23.7 10.3 116 116 A E E - H 0 135C 35 19,-3.0 18,-1.5 -2,-0.3 19,-1.2 -0.927 15.5-177.6-112.4 145.4 5.0 25.0 8.2 117 117 A V - 0 0 18 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.916 19.7-142.1-142.1 107.7 3.4 22.9 5.3 118 118 A T + 0 0 7 14,-0.5 192,-0.1 -2,-0.3 38,-0.1 -0.588 25.0 179.7 -72.7 131.1 0.6 24.5 3.2 119 119 A S > + 0 0 9 -2,-0.3 3,-0.6 1,-0.1 191,-0.1 -0.907 23.0 179.5-140.7 107.6 -2.0 21.8 2.4 120 120 A P T 3 S+ 0 0 64 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.633 82.8 60.6 -81.9 -11.7 -5.1 22.5 0.3 121 121 A D T 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92.7 54.0 -73.5 -9.7 14.0 30.9 47.9 520 520 A F S < S- 0 0 108 -3,-1.3 3,-0.1 -29,-0.1 -32,-0.0 -0.955 101.5 -90.4-127.0 147.5 14.6 32.0 51.5 521 521 A D - 0 0 88 -2,-0.3 -29,-0.1 1,-0.1 -2,-0.1 -0.267 50.8-102.1 -56.5 131.4 12.2 33.9 53.8 522 522 A F - 0 0 11 -31,-0.2 -1,-0.1 -4,-0.1 -4,-0.0 -0.292 36.4-124.6 -54.7 132.1 12.5 37.7 53.7 523 523 A S > - 0 0 48 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.298 27.3-103.5 -69.2 164.9 14.5 39.2 56.6 524 524 A D H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.863 122.8 55.1 -59.0 -37.6 12.8 41.9 58.7 525 525 A E H > S+ 0 0 134 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.921 108.6 46.6 -61.1 -47.4 14.9 44.5 57.0 526 526 A I H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.898 110.5 54.2 -60.1 -43.2 13.7 43.4 53.5 527 527 A K H X S+ 0 0 70 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.871 106.0 52.0 -60.4 -38.6 10.1 43.4 54.9 528 528 A E H < S+ 0 0 99 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.844 109.8 49.6 -66.1 -35.1 10.4 47.0 56.1 529 529 A K H >< S+ 0 0 131 -4,-1.5 3,-1.1 1,-0.2 4,-0.3 0.866 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32.9 738 738 A P > - 0 0 1 0, 0.0 4,-2.6 0, 0.0 3,-0.4 -0.205 30.4-120.1 -51.5 141.4 -17.1 23.6 30.7 739 739 A K H > S+ 0 0 82 38,-0.4 4,-1.9 41,-0.3 40,-0.2 0.890 112.6 46.8 -52.6 -47.7 -14.8 26.6 31.5 740 740 A A H > S+ 0 0 15 38,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.804 111.5 52.1 -70.3 -28.6 -17.6 29.0 32.4 741 741 A V H > S+ 0 0 0 37,-0.6 4,-3.3 -3,-0.4 5,-0.3 0.915 105.9 53.2 -73.1 -43.2 -19.3 26.3 34.5 742 742 A Q H X S+ 0 0 30 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.951 111.9 47.6 -49.5 -49.7 -16.1 25.7 36.5 743 743 A K H X S+ 0 0 160 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.896 115.1 43.9 -60.9 -44.4 -16.0 29.4 37.2 744 744 A A H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.909 113.5 49.0 -72.3 -44.8 -19.7 29.6 38.2 745 745 A L H X S+ 0 0 0 -4,-3.3 4,-2.5 2,-0.2 -2,-0.2 0.845 110.8 52.5 -60.3 -37.3 -19.6 26.4 40.4 746 746 A K H X S+ 0 0 104 -4,-2.2 4,-3.5 -5,-0.3 -2,-0.2 0.919 110.0 46.9 -66.3 -43.5 -16.5 27.8 42.1 747 747 A E H X S+ 0 0 45 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.915 110.8 53.0 -64.4 -42.3 -18.1 31.1 42.9 748 748 A C H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.947 113.1 44.5 -52.0 -49.4 -21.2 29.1 44.1 749 749 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.938 110.6 53.6 -62.8 -48.0 -18.8 27.2 46.4 750 750 A R H X S+ 0 0 57 -4,-3.5 4,-2.4 1,-0.2 5,-0.4 0.943 111.2 47.2 -49.8 -50.5 -17.0 30.4 47.5 751 751 A R H X>S+ 0 0 36 -4,-3.1 5,-3.2 1,-0.2 4,-2.4 0.899 111.6 50.0 -61.9 -43.2 -20.3 31.9 48.5 752 752 A M H <5S+ 0 0 0 -4,-2.3 -54,-2.0 3,-0.2 -1,-0.2 0.943 117.8 38.7 -56.2 -51.0 -21.4 28.8 50.4 753 753 A L H <5S+ 0 0 0 -4,-2.7 -54,-1.9 -56,-0.3 -2,-0.2 0.789 131.1 24.5 -76.6 -29.7 -18.2 28.6 52.4 754 754 A Q H <5S+ 0 0 25 -4,-2.4 -57,-0.7 -5,-0.3 -3,-0.2 0.718 134.2 18.4-107.7 -29.5 -17.6 32.3 53.0 755 755 A E T <5S- 0 0 78 -4,-2.4 -59,-0.7 -5,-0.4 -3,-0.2 0.753 95.9-119.3-122.9 -39.7 -20.9 34.1 52.8 756 756 A G >< - 0 0 3 -5,-3.2 4,-2.1 1,-0.2 -59,-0.1 -0.545 37.8 -52.6 122.9 175.0 -23.9 31.7 53.2 757 757 A E H > S+ 0 0 73 -61,-0.3 4,-2.4 1,-0.2 5,-0.2 0.895 126.0 52.3 -53.9 -50.0 -27.1 30.2 51.6 758 758 A E H > S+ 0 0 158 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.928 109.9 48.1 -58.9 -46.9 -28.7 33.6 50.8 759 759 A S H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 111.5 52.4 -59.8 -42.1 -25.5 34.9 49.0 760 760 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.895 107.6 50.7 -56.7 -45.6 -25.4 31.5 47.1 761 761 A Q H X S+ 0 0 28 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.840 106.9 55.0 -65.5 -34.9 -29.1 31.9 46.0 762 762 A E H X S+ 0 0 123 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.955 111.1 44.1 -62.0 -49.7 -28.4 35.4 44.7 763 763 A Y H X S+ 0 0 59 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.884 110.1 54.8 -63.5 -41.2 -25.6 34.2 42.5 764 764 A F H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.928 107.7 49.1 -60.5 -48.3 -27.5 31.1 41.2 765 765 A K H X S+ 0 0 135 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.897 112.4 49.6 -57.9 -40.4 -30.4 33.2 40.0 766 766 A E H X S+ 0 0 98 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.906 112.2 46.3 -67.8 -41.9 -28.0 35.6 38.3 767 767 A F H X S+ 0 0 19 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.856 110.5 51.9 -72.0 -37.0 -26.1 32.8 36.5 768 768 A E H < S+ 0 0 77 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.887 109.9 52.0 -63.9 -38.4 -29.2 31.0 35.3 769 769 A K H < S+ 0 0 130 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.791 118.7 34.0 -66.7 -32.5 -30.5 34.2 33.9 770 770 A E H >< S+ 0 0 95 -4,-1.2 3,-2.4 1,-0.1 4,-0.4 0.516 87.2 102.3-105.7 -5.9 -27.3 35.0 31.9 771 771 A F G >< S+ 0 0 0 -4,-1.4 3,-1.8 1,-0.3 -1,-0.1 0.837 77.2 56.0 -43.9 -49.6 -26.3 31.4 31.0 772 772 A R G 3 S+ 0 0 128 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.461 99.0 62.3 -71.1 -3.1 -27.6 31.6 27.4 773 773 A Q G < S+ 0 0 132 -3,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.503 80.7 110.0 -97.2 -8.3 -25.5 34.6 26.6 774 774 A L S < S- 0 0 57 -3,-1.8 2,-0.1 -4,-0.4 5,-0.1 -0.336 82.0 -94.1 -70.8 148.9 -22.2 32.8 27.2 775 775 A N >> - 0 0 92 1,-0.1 4,-0.8 -2,-0.1 3,-0.6 -0.399 33.5-124.4 -62.9 136.6 -19.8 31.9 24.4 776 776 A Y G >4 S+ 0 0 6 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.818 108.9 53.6 -57.3 -36.4 -20.4 28.4 23.1 777 777 A I G >4 S+ 0 0 28 1,-0.2 3,-0.9 2,-0.2 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889 A L < - 0 0 13 -5,-2.4 2,-0.4 -132,-0.0 -1,-0.2 -0.931 58.6-124.9-146.4 157.6 -28.4 23.9 52.0 890 890 A D - 0 0 63 -2,-0.3 -129,-0.1 1,-0.1 3,-0.1 -0.931 8.5-164.4-117.2 135.3 -30.6 25.1 49.1 891 891 A Y S S+ 0 0 36 -2,-0.4 2,-0.4 1,-0.2 -126,-0.2 0.728 87.7 42.1 -84.7 -22.8 -29.6 26.8 45.9 892 892 A E S S- 0 0 106 -128,-0.1 2,-0.3 -127,-0.0 -1,-0.2 -0.982 99.5-104.6-120.1 134.5 -33.2 27.9 45.2 893 893 A K - 0 0 166 -2,-0.4 3,-0.1 -132,-0.1 2,-0.1 -0.421 41.1-134.9 -53.4 115.3 -35.5 29.3 47.9 894 894 A K - 0 0 156 -2,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.371 27.0 -93.7 -69.7 154.8 -37.9 26.4 48.7 895 895 A A + 0 0 87 -2,-0.1 2,-0.3 3,-0.0 -1,-0.1 -0.353 54.9 160.3 -68.5 152.8 -41.7 27.2 49.0 896 896 A S > - 0 0 52 -3,-0.1 3,-1.6 -2,-0.1 4,-0.1 -0.962 55.5 -83.7-165.0 172.2 -43.1 27.9 52.4 897 897 A L G > S+ 0 0 151 -2,-0.3 3,-1.3 1,-0.3 -2,-0.0 0.690 116.5 70.0 -63.0 -21.1 -46.0 29.5 54.4 898 898 A F G > S+ 0 0 157 1,-0.3 3,-3.0 2,-0.2 -1,-0.3 0.786 77.6 79.3 -66.5 -29.0 -44.4 32.9 54.1 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