==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 01-MAY-13 4KI4 . COMPND 2 MOLECULE: DNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE RB69; . AUTHOR A.R.CLAUSEN,L.C.PEDERSEN . 897 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 626 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 . 118 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 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 . 71 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 304 33.9 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 3 0 2 2 3 1 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 . 4 5 2 2 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 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 0 121 0, 0.0 2,-0.2 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 162.3 36.3 39.0 29.6 2 2 A K - 0 0 123 100,-0.2 18,-0.0 1,-0.1 2,-0.0 -0.519 360.0-103.9 -76.0 146.2 35.3 42.6 29.1 3 3 A E - 0 0 58 -2,-0.2 2,-0.3 100,-0.1 99,-0.2 -0.320 37.6-176.7 -72.8 151.6 34.1 44.5 32.2 4 4 A F E -A 20 0A 1 16,-1.6 16,-3.0 97,-0.1 100,-0.0 -0.987 22.3-118.9-149.4 142.8 30.4 45.2 32.9 5 5 A Y E -A 19 0A 1 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.258 14.7-169.8 -74.9 162.7 28.6 47.1 35.7 6 6 A L E S- 0 0 1 12,-3.5 347,-0.3 1,-0.5 2,-0.3 0.687 70.3 -6.5-113.6 -58.7 26.1 45.7 38.1 7 7 A T E -A 18 0A 3 11,-1.6 11,-2.2 345,-0.1 -1,-0.5 -0.965 57.6-163.9-137.9 155.4 24.6 48.7 39.9 8 8 A V E +A 17 0A 2 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.998 10.1 175.4-141.4 138.7 25.3 52.5 40.0 9 9 A E E -A 16 0A 12 7,-1.8 7,-1.8 -2,-0.3 2,-0.6 -0.979 24.9-137.0-138.7 152.7 24.2 55.2 42.4 10 10 A Q E +A 15 0A 60 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.955 23.4 173.6-110.4 115.6 24.9 58.8 43.0 11 11 A I E > -A 14 0A 42 3,-3.0 3,-1.4 -2,-0.6 2,-0.3 -0.837 63.5 -61.2-122.1 92.7 25.4 59.8 46.7 12 12 A G T 3 S- 0 0 50 -2,-0.5 53,-0.1 1,-0.3 52,-0.0 -0.563 118.3 -16.0 70.5-128.6 26.4 63.4 46.9 13 13 A D T 3 S+ 0 0 58 -2,-0.3 2,-0.4 52,-0.1 -1,-0.3 0.317 125.2 90.0 -88.3 7.5 29.7 64.0 45.0 14 14 A S E < -A 11 0A 19 -3,-1.4 -3,-3.0 18,-0.2 2,-0.6 -0.850 60.9-155.7-109.9 140.6 30.3 60.3 45.0 15 15 A I E -AB 10 31A 0 16,-2.1 16,-2.7 -2,-0.4 2,-0.6 -0.968 12.0-158.6-110.4 118.4 29.3 57.6 42.5 16 16 A F E -AB 9 30A 38 -7,-1.8 -7,-1.8 -2,-0.6 2,-0.4 -0.875 15.6-178.8 -98.6 117.3 29.1 54.1 44.0 17 17 A E E -AB 8 29A 0 12,-2.5 12,-2.4 -2,-0.6 2,-0.4 -0.960 19.5-161.8-121.5 131.4 29.4 51.4 41.5 18 18 A R E +AB 7 28A 2 -11,-2.2 -12,-3.5 -2,-0.4 -11,-1.6 -0.917 33.0 155.5-101.3 136.7 29.2 47.6 41.8 19 19 A Y E -AB 5 27A 29 8,-2.2 8,-3.2 -2,-0.4 2,-0.5 -0.968 45.4-109.8-156.0 166.4 30.7 45.8 38.8 20 20 A I E -AB 4 26A 2 -16,-3.0 -16,-1.6 -2,-0.3 6,-0.2 -0.926 39.5-147.3-105.8 126.1 32.3 42.7 37.4 21 21 A D > - 0 0 13 4,-2.4 3,-1.3 -2,-0.5 -17,-0.1 -0.016 34.4 -80.3 -85.7-171.4 36.0 43.1 36.5 22 22 A S T 3 S+ 0 0 62 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.817 130.2 47.0 -58.2 -34.7 38.3 41.6 33.9 23 23 A N T 3 S- 0 0 154 2,-0.1 -1,-0.3 1,-0.0 -21,-0.1 0.485 121.2-104.9 -90.5 -4.3 38.8 38.4 35.9 24 24 A G S < S+ 0 0 18 -3,-1.3 2,-0.3 1,-0.3 -2,-0.1 0.549 73.5 139.7 95.6 9.9 35.0 38.0 36.6 25 25 A R - 0 0 80 1,-0.0 -4,-2.4 -5,-0.0 2,-0.4 -0.669 55.0-119.2 -91.3 139.6 35.1 39.1 40.2 26 26 A E E +B 20 0A 63 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.648 42.8 171.2 -77.3 126.6 32.5 41.3 41.8 27 27 A R E -B 19 0A 115 -8,-3.2 -8,-2.2 -2,-0.4 2,-0.4 -0.799 24.1-145.2-129.8 169.8 33.9 44.6 43.0 28 28 A T E +B 18 0A 78 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.997 17.4 179.3-139.7 135.9 32.7 47.9 44.4 29 29 A R E -B 17 0A 71 -12,-2.4 -12,-2.5 -2,-0.4 2,-0.7 -0.991 23.9-143.8-138.0 145.9 34.3 51.4 43.9 30 30 A E E -B 16 0A 120 -2,-0.3 2,-0.6 -14,-0.2 -14,-0.2 -0.922 25.1-171.7-106.4 108.0 33.5 54.9 45.0 31 31 A V E -B 15 0A 49 -16,-2.7 -16,-2.1 -2,-0.7 2,-2.0 -0.889 25.0-141.7-105.8 122.5 34.4 57.3 42.2 32 32 A E - 0 0 73 -2,-0.6 -18,-0.2 -18,-0.2 2,-0.1 -0.586 37.0-150.4 -76.4 81.6 34.4 61.1 42.7 33 33 A Y - 0 0 22 -2,-2.0 32,-0.4 -20,-0.2 59,-0.0 -0.290 13.0-150.5 -65.3 132.9 33.0 61.6 39.2 34 34 A K - 0 0 125 30,-0.1 29,-0.1 31,-0.1 -1,-0.1 -0.854 22.6-163.1-104.0 96.7 33.8 64.8 37.4 35 35 A P - 0 0 2 0, 0.0 27,-2.0 0, 0.0 2,-0.4 -0.354 5.7-142.1 -80.3 158.5 30.8 65.4 35.1 36 36 A S E +C 61 0B 32 25,-0.2 49,-0.3 49,-0.1 2,-0.3 -0.961 17.2 178.5-121.9 140.4 30.8 67.8 32.1 37 37 A L E -C 60 0B 2 23,-1.7 23,-3.0 -2,-0.4 2,-0.3 -0.814 18.9-130.7-128.0 174.1 28.0 70.0 30.9 38 38 A F E -CD 59 83B 26 45,-2.5 45,-2.3 -2,-0.3 2,-0.3 -0.931 14.0-169.0-134.3 149.6 27.9 72.4 27.9 39 39 A A E -C 58 0B 19 19,-1.7 19,-3.0 -2,-0.3 43,-0.1 -0.978 37.9 -97.9-132.4 147.9 26.9 76.0 27.1 40 40 A H E -C 57 0B 72 41,-0.4 17,-0.2 -2,-0.3 10,-0.0 -0.367 45.6-172.3 -60.8 141.7 26.5 77.7 23.7 41 41 A C - 0 0 21 15,-1.5 -1,-0.0 1,-0.1 5,-0.0 -0.869 31.5 -76.7-133.2 164.3 29.6 79.7 22.7 42 42 A P - 0 0 85 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.194 45.4-108.9 -58.8 158.0 30.5 82.1 19.9 43 43 A E S > S+ 0 0 151 1,-0.2 3,-0.7 2,-0.1 14,-0.1 0.722 118.2 64.6 -59.7 -21.5 31.2 80.6 16.5 44 44 A S T 3 S+ 0 0 112 1,-0.2 2,-1.4 12,-0.1 -1,-0.2 0.953 93.2 56.1 -65.6 -53.0 34.8 81.6 17.2 45 45 A Q T 3 S+ 0 0 67 -3,-0.4 -1,-0.2 11,-0.1 2,-0.2 -0.074 79.1 156.7 -77.2 39.3 35.4 79.2 20.1 46 46 A A < + 0 0 48 -2,-1.4 2,-0.1 -3,-0.7 4,-0.1 -0.446 7.6 149.6 -69.5 135.7 34.3 76.2 18.0 47 47 A T - 0 0 80 2,-0.5 -1,-0.1 10,-0.2 11,-0.1 -0.213 62.8 -51.8-134.7-136.4 35.7 72.9 19.2 48 48 A K S S+ 0 0 87 -2,-0.1 2,-0.4 9,-0.1 10,-0.1 0.764 107.6 83.1 -81.1 -27.9 34.7 69.2 19.1 49 49 A Y + 0 0 51 8,-0.4 8,-2.3 327,-0.1 -2,-0.5 -0.667 44.7 157.9 -97.8 128.8 31.2 69.9 20.5 50 50 A F E -Ef 56 376C 73 325,-0.9 327,-2.3 -2,-0.4 -10,-0.0 -0.989 37.9-116.9-136.7 145.6 28.1 71.0 18.7 51 51 A D E > - f 0 377C 10 4,-3.1 3,-2.3 -2,-0.3 327,-0.2 -0.221 45.4 -89.6 -71.5 174.8 24.4 70.6 19.7 52 52 A I T 3 S+ 0 0 12 325,-1.0 -1,-0.1 1,-0.3 326,-0.1 0.740 129.6 54.2 -60.0 -22.4 22.1 68.5 17.6 53 53 A Y T 3 S- 0 0 134 2,-0.1 -1,-0.3 374,-0.0 -2,-0.0 0.439 123.8-102.2 -92.9 -1.1 21.2 71.5 15.6 54 54 A G S < S+ 0 0 43 -3,-2.3 -2,-0.1 1,-0.3 372,-0.0 0.492 72.7 143.4 97.1 5.3 24.9 72.3 14.8 55 55 A K - 0 0 101 1,-0.1 -4,-3.1 -5,-0.0 -1,-0.3 -0.670 52.7-115.4 -82.6 129.0 25.4 75.1 17.3 56 56 A P B -E 50 0C 4 0, 0.0 -15,-1.5 0, 0.0 2,-0.3 -0.259 33.1-164.3 -64.7 146.9 28.9 75.1 18.8 57 57 A C E -C 40 0B 0 -8,-2.3 2,-0.5 -17,-0.2 -8,-0.4 -0.978 17.7-132.3-135.6 146.2 29.3 74.5 22.6 58 58 A T E -C 39 0B 58 -19,-3.0 -19,-1.7 -2,-0.3 2,-0.4 -0.846 25.9-131.6 -94.0 129.9 32.0 74.9 25.2 59 59 A R E -C 38 0B 106 -2,-0.5 2,-0.6 -21,-0.2 -21,-0.2 -0.661 17.8-159.9 -79.5 133.2 32.6 72.0 27.5 60 60 A K E -C 37 0B 86 -23,-3.0 -23,-1.7 -2,-0.4 2,-0.4 -0.948 2.6-155.8-116.5 112.1 32.7 72.8 31.2 61 61 A L E -C 36 0B 103 -2,-0.6 2,-0.3 -25,-0.2 -25,-0.2 -0.705 13.6-150.0 -83.5 134.6 34.3 70.3 33.5 62 62 A F - 0 0 18 -27,-2.0 3,-0.1 -2,-0.4 4,-0.0 -0.779 18.9-132.2-107.2 151.2 33.2 70.5 37.1 63 63 A A S S- 0 0 72 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.843 89.9 -8.6 -67.2 -34.5 35.1 69.7 40.3 64 64 A N S >> S- 0 0 37 -30,-0.1 4,-1.2 -29,-0.1 3,-0.5 -0.964 75.9 -96.8-156.8 170.6 32.2 67.6 41.5 65 65 A M H 3> S+ 0 0 0 -32,-0.4 4,-1.4 -2,-0.3 -52,-0.1 0.749 117.5 59.0 -67.9 -25.2 28.6 66.7 40.8 66 66 A R H 3> S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.860 103.2 52.5 -70.7 -35.9 27.2 69.3 43.2 67 67 A D H <> S+ 0 0 67 -3,-0.5 4,-1.5 1,-0.2 -2,-0.2 0.857 107.1 53.0 -66.0 -35.9 29.0 72.1 41.4 68 68 A A H X S+ 0 0 0 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.853 109.3 49.3 -68.2 -35.2 27.4 70.9 38.1 69 69 A S H X S+ 0 0 58 -4,-1.4 4,-1.8 2,-0.2 3,-0.2 0.936 110.1 48.6 -68.7 -48.5 23.9 71.0 39.7 70 70 A Q H X S+ 0 0 83 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.799 109.2 55.3 -63.1 -29.2 24.3 74.5 41.1 71 71 A W H X S+ 0 0 23 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.855 104.4 52.6 -71.6 -36.3 25.5 75.7 37.7 72 72 A I H X S+ 0 0 35 -4,-1.4 4,-1.5 -3,-0.2 -2,-0.2 0.895 110.8 48.4 -63.3 -39.4 22.4 74.3 36.1 73 73 A K H X S+ 0 0 61 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.855 111.3 49.7 -69.3 -36.3 20.4 76.3 38.6 74 74 A R H X S+ 0 0 132 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.864 107.9 52.7 -70.8 -36.9 22.4 79.4 37.9 75 75 A M H X>S+ 0 0 15 -4,-2.3 4,-2.5 2,-0.2 5,-2.5 0.842 108.8 51.7 -66.1 -33.7 22.0 79.1 34.2 76 76 A E H <5S+ 0 0 138 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.907 107.5 52.1 -64.6 -43.5 18.3 78.9 34.8 77 77 A D H <5S+ 0 0 117 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.824 114.4 42.8 -63.8 -33.2 18.5 82.1 36.9 78 78 A I H <5S- 0 0 122 -4,-1.8 -2,-0.2 2,-0.1 -1,-0.2 0.872 113.8-118.9 -78.9 -39.9 20.3 83.8 34.0 79 79 A G T <5 + 0 0 60 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.762 67.2 125.9 103.0 35.6 18.0 82.4 31.3 80 80 A L < - 0 0 105 -5,-2.5 -1,-0.3 -41,-0.0 2,-0.2 -0.933 64.2 -99.0-124.3 150.3 20.4 80.4 29.2 81 81 A E - 0 0 67 -2,-0.3 2,-0.7 1,-0.1 -41,-0.4 -0.437 24.8-154.5 -71.4 132.5 20.3 76.7 28.1 82 82 A A - 0 0 5 -2,-0.2 -43,-0.2 299,-0.1 299,-0.2 -0.889 22.7-162.5-107.6 101.9 22.5 74.3 30.1 83 83 A L B +D 38 0B 1 -45,-2.3 -45,-2.5 -2,-0.7 2,-0.1 -0.318 36.0 56.9 -87.6 164.2 23.2 71.4 27.8 84 84 A G S S- 0 0 5 294,-2.0 2,-0.7 -47,-0.2 -47,-0.1 -0.376 92.7 -38.8 110.5 171.8 24.4 67.8 28.4 85 85 A M - 0 0 6 -49,-0.3 -49,-0.1 1,-0.2 6,-0.1 -0.618 47.7-176.7 -74.1 112.2 23.4 64.8 30.4 86 86 A D + 0 0 77 -2,-0.7 2,-1.3 1,-0.1 -1,-0.2 0.788 68.3 80.3 -82.9 -30.5 22.1 66.0 33.7 87 87 A D S >> S- 0 0 25 1,-0.2 4,-1.2 2,-0.1 3,-0.9 -0.683 70.7-165.6 -75.1 97.1 21.5 62.5 35.1 88 88 A F H 3> S+ 0 0 5 -2,-1.3 4,-2.4 1,-0.3 -1,-0.2 0.727 78.5 66.2 -65.0 -25.4 25.1 62.0 36.1 89 89 A K H 3> S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.910 102.9 47.5 -60.2 -43.0 24.8 58.3 36.6 90 90 A L H <> S+ 0 0 4 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.862 110.7 51.6 -66.9 -37.3 24.0 57.8 32.9 91 91 A A H X S+ 0 0 10 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.898 110.3 49.6 -65.1 -41.2 27.0 60.0 32.0 92 92 A Y H X S+ 0 0 7 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.929 111.6 47.1 -62.6 -48.7 29.2 57.9 34.2 93 93 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.876 112.6 51.4 -60.8 -38.1 28.0 54.6 32.7 94 94 A S H < S+ 0 0 2 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.884 114.9 41.7 -66.1 -40.6 28.5 56.1 29.3 95 95 A D H >< S+ 0 0 79 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.922 116.7 46.6 -71.1 -46.3 32.1 57.2 30.1 96 96 A T H 3< S+ 0 0 45 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.737 120.4 38.6 -73.1 -23.4 33.1 54.0 31.9 97 97 A Y T 3< + 0 0 2 -4,-1.6 2,-2.2 -5,-0.3 -1,-0.3 -0.495 62.9 164.4-129.7 64.8 31.7 51.7 29.3 98 98 A N < + 0 0 76 -3,-0.6 2,-0.3 -2,-0.2 -4,-0.1 -0.286 60.7 63.7 -77.5 53.5 32.4 53.2 25.9 99 99 A Y S S- 0 0 59 -2,-2.2 2,-0.5 -5,-0.0 -3,-0.0 -0.972 101.3 -73.7-164.7 162.7 31.6 50.0 24.1 100 100 A E - 0 0 165 -2,-0.3 2,-0.5 1,-0.1 248,-0.1 -0.542 56.8-125.9 -66.8 114.7 28.8 47.5 23.4 101 101 A I - 0 0 14 -2,-0.5 2,-0.6 246,-0.5 -1,-0.1 -0.511 26.3-173.1 -72.1 115.3 28.4 45.8 26.7 102 102 A K - 0 0 163 -2,-0.5 2,-0.2 -99,-0.2 -100,-0.2 -0.940 19.3-171.7-105.2 111.4 28.5 42.0 26.5 103 103 A Y - 0 0 53 -2,-0.6 2,-0.6 -102,-0.0 -100,-0.1 -0.602 25.8-134.1-107.6 162.4 27.6 40.7 29.9 104 104 A D > - 0 0 50 -2,-0.2 3,-1.6 1,-0.1 4,-0.4 -0.943 10.8-164.2-116.6 108.5 27.6 37.3 31.7 105 105 A H G > S+ 0 0 118 -2,-0.6 3,-1.1 1,-0.3 5,-0.1 0.772 85.6 68.4 -64.6 -27.4 24.4 36.7 33.6 106 106 A T G 3 S+ 0 0 78 1,-0.3 -1,-0.3 3,-0.1 4,-0.1 0.713 99.5 52.0 -65.0 -19.0 25.9 33.8 35.6 107 107 A K G < S+ 0 0 39 -3,-1.6 2,-0.6 2,-0.1 -1,-0.3 0.619 91.6 89.6 -89.3 -16.4 28.1 36.4 37.3 108 108 A I S < S- 0 0 1 -3,-1.1 2,-1.0 -4,-0.4 33,-0.0 -0.740 79.0-133.5 -86.9 120.7 25.0 38.6 38.2 109 109 A R - 0 0 36 -2,-0.6 102,-2.7 100,-0.2 103,-1.8 -0.625 25.0-172.7 -79.2 103.2 23.6 37.7 41.6 110 110 A V E -g 212 0D 17 -2,-1.0 31,-1.7 101,-0.2 2,-0.5 -0.868 5.6-161.5 -99.6 118.8 19.8 37.4 41.1 111 111 A A E -gH 213 140D 0 101,-3.1 103,-2.8 -2,-0.6 2,-0.5 -0.878 9.9-170.9-109.2 124.9 17.9 36.9 44.3 112 112 A N E +gH 214 139D 2 27,-2.1 27,-4.2 -2,-0.5 2,-0.3 -0.963 22.0 161.8-109.1 122.2 14.3 35.6 44.6 113 113 A F E - H 0 138D 6 101,-1.6 103,-0.4 -2,-0.5 2,-0.3 -0.963 22.0-176.7-142.6 162.2 12.7 35.8 48.0 114 114 A D E - H 0 137D 29 23,-1.8 23,-2.4 -2,-0.3 2,-0.3 -0.981 13.2-154.0-152.6 141.3 9.4 35.7 49.8 115 115 A I E - H 0 136D 5 -2,-0.3 2,-0.4 21,-0.2 21,-0.2 -0.780 5.8-142.6-117.1 164.1 8.6 36.2 53.5 116 116 A E E - H 0 135D 41 19,-2.5 18,-1.7 -2,-0.3 19,-1.1 -0.987 13.3-176.5-125.7 138.6 5.8 35.1 55.8 117 117 A V E - H 0 133D 19 -2,-0.4 2,-0.4 16,-0.2 16,-0.2 -0.918 17.8-145.1-136.7 108.5 4.2 37.1 58.6 118 118 A T - 0 0 12 14,-0.5 190,-0.1 -2,-0.4 191,-0.1 -0.595 23.8-179.3 -71.7 126.1 1.5 35.6 60.8 119 119 A S - 0 0 10 -2,-0.4 3,-0.3 1,-0.1 -2,-0.0 -0.959 24.0-170.7-134.7 116.6 -1.0 38.3 61.8 120 120 A P S S+ 0 0 75 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.670 85.1 54.3 -75.5 -17.7 -4.0 37.8 64.0 121 121 A D S S- 0 0 87 1,-0.3 697,-0.1 697,-0.0 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-2,-0.0 -0.577 49.6-100.7-140.5-162.1 10.6 6.6 22.2 510 512 A E - 0 0 70 -2,-0.2 25,-0.1 24,-0.0 -2,-0.0 -0.995 39.4 -95.1-138.1 142.7 12.2 9.9 23.1 511 513 A P - 0 0 40 0, 0.0 25,-0.1 0, 0.0 24,-0.0 -0.284 50.9-106.7 -54.3 134.5 11.5 13.5 22.1 512 514 A L - 0 0 28 23,-0.1 2,-1.1 1,-0.1 12,-0.0 -0.276 23.9-118.6 -67.2 149.6 13.6 14.6 19.1 513 515 A D + 0 0 167 2,-0.0 2,-0.3 -2,-0.0 -1,-0.1 -0.758 55.5 146.5 -92.2 95.7 16.5 17.1 19.6 514 516 A V - 0 0 27 -2,-1.1 2,-0.9 6,-0.0 6,-0.0 -0.970 54.6-121.9-133.3 145.1 15.6 20.1 17.5 515 517 A D > - 0 0 69 -2,-0.3 3,-1.6 1,-0.1 -2,-0.0 -0.789 25.3-159.9 -81.4 107.1 16.0 23.9 17.7 516 518 A Y T 3 S+ 0 0 15 -2,-0.9 -23,-0.3 1,-0.3 -1,-0.1 0.581 78.9 80.0 -69.7 -9.4 12.4 25.0 17.6 517 519 A R T 3 S+ 0 0 103 -28,-0.1 2,-0.3 -27,-0.1 -1,-0.3 0.570 92.5 57.5 -73.1 -8.5 13.4 28.5 16.5 518 520 A F S < S- 0 0 106 -3,-1.6 3,-0.1 -29,-0.2 -32,-0.0 -0.938 99.8 -91.9-127.1 147.3 13.8 27.2 13.0 519 521 A D - 0 0 93 -2,-0.3 -29,-0.1 1,-0.1 -4,-0.1 -0.311 54.1 -99.6 -58.0 130.8 11.4 25.4 10.6 520 522 A F - 0 0 8 -31,-0.2 -1,-0.1 -4,-0.1 2,-0.1 -0.203 37.6-120.0 -52.1 135.9 11.6 21.6 10.9 521 523 A S > - 0 0 46 1,-0.1 4,-2.2 -3,-0.1 -1,-0.1 -0.381 26.2-106.7 -74.0 160.4 13.7 20.0 8.2 522 524 A D H > S+ 0 0 114 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.815 121.5 56.0 -59.1 -32.4 12.0 17.4 5.9 523 525 A E H > S+ 0 0 134 2,-0.2 4,-1.5 1,-0.2 3,-0.4 0.968 108.3 46.1 -60.1 -54.5 13.9 14.7 7.8 524 526 A I H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.860 106.8 59.1 -59.2 -40.2 12.5 15.8 11.2 525 527 A K H X S+ 0 0 73 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.897 106.7 46.6 -57.1 -44.3 9.0 16.0 9.8 526 528 A E H < S+ 0 0 109 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.842 109.9 52.9 -70.1 -34.3 8.9 12.4 8.8 527 529 A K H >X S+ 0 0 130 -4,-1.5 3,-1.5 1,-0.2 4,-0.6 0.853 104.3 57.8 -67.7 -34.8 10.3 11.2 12.1 528 530 A I H >< S+ 0 0 2 -4,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.880 96.1 62.3 -61.6 -39.2 7.6 13.1 13.9 529 531 A K T 3< S+ 0 0 102 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.422 109.3 43.5 -68.1 3.0 4.9 11.1 12.0 530 532 A K T <4 S+ 0 0 132 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.459 91.0 103.2-125.0 -9.1 6.3 8.0 13.7 531 533 A L S << S- 0 0 25 -3,-1.1 -26,-1.6 -4,-0.6 -23,-0.0 -0.294 71.1-104.3 -78.3 163.3 6.8 9.2 17.3 532 534 A S > - 0 0 6 -28,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.221 29.0-105.5 -81.1 172.1 4.6 8.4 20.3 533 535 A A H > S+ 0 0 39 -28,-0.3 4,-2.6 2,-0.2 5,-0.2 0.841 120.8 55.1 -65.7 -34.6 2.0 10.6 22.0 534 536 A K H > S+ 0 0 164 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.956 113.0 39.7 -61.8 -52.4 4.4 11.0 24.9 535 537 A S H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.865 117.0 50.5 -67.2 -38.3 7.2 12.2 22.7 536 538 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.954 111.0 47.1 -64.3 -51.6 4.9 14.3 20.6 537 539 A N H X S+ 0 0 80 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.844 111.9 51.2 -60.0 -36.1 3.2 16.1 23.5 538 540 A E H X S+ 0 0 71 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.873 111.4 47.8 -69.0 -37.3 6.6 16.7 25.1 539 541 A M H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.877 109.2 53.4 -68.6 -39.1 7.8 18.3 21.9 540 542 A L H X S+ 0 0 26 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.900 108.0 51.4 -61.2 -41.3 4.6 20.4 21.6 541 543 A F H X S+ 0 0 92 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.886 112.7 44.8 -62.3 -40.9 5.3 21.7 25.1 542 544 A R H X S+ 0 0 108 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.837 109.5 55.4 -74.2 -33.8 8.9 22.6 24.2 543 545 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.846 110.7 46.1 -65.1 -34.1 7.7 24.2 20.9 544 546 A Q H X S+ 0 0 77 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.808 109.3 53.7 -80.2 -31.2 5.4 26.4 22.9 545 547 A R H X S+ 0 0 69 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.895 111.2 46.8 -66.5 -40.5 8.0 27.3 25.4 546 548 A T H X S+ 0 0 35 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.900 111.9 51.0 -65.1 -42.2 10.3 28.4 22.6 547 549 A E H X S+ 0 0 47 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.903 110.0 49.2 -62.8 -43.0 7.4 30.3 21.0 548 550 A V H X S+ 0 0 36 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.907 109.9 51.8 -62.7 -43.2 6.7 32.1 24.3 549 551 A A H X S+ 0 0 21 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.910 112.2 45.8 -59.9 -44.4 10.3 33.0 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