==== 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 4KHU . COMPND 2 MOLECULE: DNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE RB69; . AUTHOR A.R.CLAUSEN,L.C.PEDERSEN . 898 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39831.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 640 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 13.1 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 . 5 0.6 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 . 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 . 312 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.3 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 1 1 1 2 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 RESIDUES PER ALPHA HELIX . 1 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 0 117 0, 0.0 23,-0.2 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 157.2 36.4 39.6 29.7 2 2 A K - 0 0 69 1,-0.1 2,-0.1 21,-0.1 22,-0.0 -0.340 360.0-108.9 -63.5 148.4 35.2 43.3 29.6 3 3 A E - 0 0 55 100,-0.1 2,-0.3 16,-0.0 99,-0.3 -0.368 35.4-170.8 -74.1 159.0 34.1 44.8 32.8 4 4 A F E -A 20 0A 1 16,-1.6 16,-3.0 97,-0.1 2,-0.1 -0.977 21.0-118.7-152.3 142.6 30.5 45.7 33.5 5 5 A Y E -A 19 0A 0 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.361 16.8-173.3 -73.2 158.7 28.6 47.6 36.2 6 6 A L E S- 0 0 0 12,-3.3 346,-0.4 1,-0.5 2,-0.3 0.671 72.3 -4.6-112.9 -52.6 26.0 45.9 38.4 7 7 A T E -A 18 0A 3 11,-1.5 11,-2.6 344,-0.1 -1,-0.5 -0.989 58.3-167.9-142.5 149.3 24.7 48.9 40.2 8 8 A V E +A 17 0A 1 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.998 9.6 172.3-136.5 142.5 25.4 52.7 40.5 9 9 A E E -A 16 0A 13 7,-2.1 7,-2.4 -2,-0.3 2,-0.5 -0.961 26.0-133.1-139.1 159.4 24.2 55.3 42.9 10 10 A Q E +A 15 0A 61 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.979 22.8 176.2-113.3 122.4 25.0 59.0 43.6 11 11 A I E > -A 14 0A 39 3,-3.5 3,-1.9 -2,-0.5 2,-0.2 -0.929 64.1 -55.8-127.2 105.2 25.5 59.9 47.2 12 12 A G T 3 S- 0 0 54 -2,-0.5 53,-0.0 1,-0.3 0, 0.0 -0.448 121.7 -17.8 57.7-130.6 26.5 63.5 47.6 13 13 A D T 3 S+ 0 0 43 -2,-0.2 2,-0.4 52,-0.1 20,-0.3 0.241 123.3 94.3 -87.6 13.7 29.6 64.1 45.5 14 14 A S E < -A 11 0A 13 -3,-1.9 -3,-3.5 18,-0.2 2,-0.6 -0.895 60.7-152.8-113.7 135.7 30.3 60.4 45.4 15 15 A I E -AB 10 31A 0 16,-3.1 16,-3.2 -2,-0.4 2,-0.6 -0.925 15.0-159.6 -92.4 122.4 29.4 57.8 42.8 16 16 A F E -AB 9 30A 39 -7,-2.4 -7,-2.1 -2,-0.6 2,-0.4 -0.942 16.6-179.8-102.5 117.2 29.1 54.3 44.5 17 17 A E E -AB 8 29A 0 12,-2.5 12,-2.2 -2,-0.6 2,-0.4 -0.938 22.5-160.5-117.8 141.0 29.4 51.5 41.9 18 18 A R E +AB 7 28A 2 -11,-2.6 -12,-3.3 -2,-0.4 -11,-1.5 -0.969 32.7 161.2-108.0 134.9 29.3 47.8 42.2 19 19 A Y E -AB 5 27A 28 8,-1.7 8,-3.1 -2,-0.4 2,-0.6 -0.959 44.1-115.1-148.3 165.1 30.9 46.1 39.2 20 20 A I E -AB 4 26A 2 -16,-3.0 -16,-1.6 -2,-0.3 6,-0.2 -0.938 38.8-144.1-103.1 116.6 32.4 42.9 37.8 21 21 A D > - 0 0 13 4,-2.4 3,-2.3 -2,-0.6 -1,-0.0 -0.007 34.5 -85.9 -73.6-177.7 36.1 43.5 37.0 22 22 A S T 3 S+ 0 0 59 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.627 130.6 53.4 -70.6 -9.7 38.1 42.0 34.1 23 23 A N T 3 S- 0 0 145 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.154 119.1-111.2-105.7 12.5 38.8 38.9 36.2 24 24 A G S < S+ 0 0 17 -3,-2.3 2,-0.3 1,-0.2 -2,-0.1 0.601 72.3 135.3 75.0 12.8 35.1 38.4 36.9 25 25 A R - 0 0 43 1,-0.0 -4,-2.4 0, 0.0 2,-0.6 -0.693 58.6-114.9 -91.2 149.1 35.2 39.3 40.6 26 26 A E E +B 20 0A 72 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.2 -0.719 42.4 172.5 -87.3 122.6 32.6 41.6 42.1 27 27 A R E -B 19 0A 127 -8,-3.1 -8,-1.7 -2,-0.6 2,-0.3 -0.659 22.1-147.0-118.6 175.7 34.1 44.9 43.4 28 28 A T E +B 18 0A 80 -10,-0.2 2,-0.3 -2,-0.2 -10,-0.2 -0.976 17.5 179.4-144.1 134.2 32.8 48.1 44.8 29 29 A R E -B 17 0A 74 -12,-2.2 -12,-2.5 -2,-0.3 2,-0.5 -0.975 22.9-144.1-134.6 149.7 34.3 51.6 44.4 30 30 A E E -B 16 0A 122 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.972 23.8-168.7-109.7 120.8 33.5 55.1 45.5 31 31 A V E -B 15 0A 45 -16,-3.2 -16,-3.1 -2,-0.5 2,-1.8 -0.954 24.2-143.1-115.9 124.8 34.4 57.6 42.8 32 32 A E - 0 0 100 -2,-0.5 -18,-0.2 -18,-0.2 2,-0.1 -0.662 38.0-154.8 -81.1 83.3 34.4 61.3 43.4 33 33 A Y - 0 0 22 -2,-1.8 32,-0.4 -20,-0.3 59,-0.0 -0.387 14.5-152.5 -71.4 132.8 33.1 61.9 39.9 34 34 A K - 0 0 115 -2,-0.1 29,-0.1 30,-0.1 2,-0.1 -0.900 21.9-163.5-107.1 104.5 33.8 65.2 38.2 35 35 A P - 0 0 1 0, 0.0 27,-2.2 0, 0.0 2,-0.4 -0.395 8.0-140.7 -85.4 162.0 31.0 65.8 35.7 36 36 A S E +C 61 0B 31 25,-0.2 2,-0.3 49,-0.1 49,-0.2 -0.959 18.2 175.9-118.1 143.2 30.8 68.2 32.7 37 37 A L E -C 60 0B 2 23,-1.6 23,-3.3 -2,-0.4 2,-0.3 -0.830 23.0-126.8-129.7 176.7 27.9 70.3 31.5 38 38 A F E -CD 59 83B 25 45,-2.7 45,-2.4 -2,-0.3 2,-0.3 -0.922 13.6-161.7-135.2 147.6 27.9 72.8 28.7 39 39 A A E -C 58 0B 20 19,-1.9 19,-2.5 -2,-0.3 43,-0.1 -0.952 36.6-103.8-121.7 144.6 27.0 76.4 27.8 40 40 A H E -C 57 0B 80 41,-0.4 17,-0.3 -2,-0.3 10,-0.0 -0.351 45.9-167.4 -59.7 148.9 26.5 77.9 24.4 41 41 A C - 0 0 22 15,-1.9 -1,-0.0 4,-0.1 0, 0.0 -0.918 28.2 -75.7-138.9 166.1 29.5 79.9 23.3 42 42 A P > - 0 0 81 0, 0.0 3,-1.3 0, 0.0 -1,-0.0 -0.233 39.5-122.4 -58.2 149.8 30.4 82.5 20.6 43 43 A E T 3 S+ 0 0 175 1,-0.3 4,-0.1 13,-0.0 14,-0.1 0.702 110.7 67.3 -65.8 -19.0 31.0 81.0 17.1 44 44 A S T 3 S+ 0 0 115 1,-0.1 2,-1.3 2,-0.1 -1,-0.3 0.718 80.3 86.2 -72.4 -22.2 34.5 82.5 17.3 45 45 A Q S < S- 0 0 64 -3,-1.3 -1,-0.1 11,-0.0 -4,-0.1 -0.670 80.7-140.5 -87.0 93.8 35.5 80.1 20.1 46 46 A A + 0 0 97 -2,-1.3 2,-0.3 10,-0.1 -2,-0.1 -0.156 36.7 152.2 -51.2 141.5 36.7 77.0 18.3 47 47 A T - 0 0 47 -4,-0.1 11,-0.1 1,-0.1 -1,-0.0 -0.973 53.6-127.1-162.1 169.1 35.6 73.7 20.0 48 48 A K S S+ 0 0 99 -2,-0.3 2,-0.4 9,-0.1 10,-0.1 0.499 85.2 87.4-101.6 -6.5 34.7 70.1 19.4 49 49 A Y + 0 0 41 8,-0.4 8,-1.9 326,-0.1 2,-0.3 -0.793 47.5 163.3-100.2 133.0 31.3 70.4 21.1 50 50 A F E -Ef 56 375C 84 324,-1.1 326,-2.2 -2,-0.4 -10,-0.0 -0.987 35.5-117.2-137.9 146.0 28.1 71.4 19.4 51 51 A D E > - f 0 376C 11 4,-3.0 3,-2.5 -2,-0.3 326,-0.2 -0.266 47.2 -92.3 -70.2 173.0 24.4 71.1 20.4 52 52 A I T 3 S+ 0 0 12 324,-0.8 -1,-0.1 1,-0.3 325,-0.1 0.658 129.0 58.5 -66.6 -14.2 22.2 68.9 18.1 53 53 A Y T 3 S- 0 0 121 2,-0.1 -1,-0.3 373,-0.0 -2,-0.0 0.330 121.4-106.3 -95.1 4.7 21.4 72.1 16.2 54 54 A G S < S+ 0 0 45 -3,-2.5 -2,-0.1 1,-0.3 -5,-0.0 0.449 73.0 140.3 88.2 -0.3 25.0 72.8 15.4 55 55 A K - 0 0 89 1,-0.1 -4,-3.0 -5,-0.0 -1,-0.3 -0.641 54.7-115.2 -77.3 131.5 25.5 75.6 17.8 56 56 A P B -E 50 0C 13 0, 0.0 -15,-1.9 0, 0.0 2,-0.3 -0.294 33.1-169.4 -67.5 150.9 28.9 75.5 19.6 57 57 A C E -C 40 0B 0 -8,-1.9 -8,-0.4 -17,-0.3 2,-0.4 -0.929 19.2-130.1-135.0 156.5 29.3 75.0 23.3 58 58 A T E -C 39 0B 54 -19,-2.5 -19,-1.9 -2,-0.3 2,-0.4 -0.926 26.6-125.9-103.8 137.6 32.0 75.2 25.9 59 59 A R E -C 38 0B 106 -2,-0.4 2,-0.6 -21,-0.2 -21,-0.2 -0.683 18.8-156.6 -80.3 130.8 32.5 72.3 28.3 60 60 A K E -C 37 0B 83 -23,-3.3 -23,-1.6 -2,-0.4 2,-0.4 -0.955 4.9-158.7-106.3 117.9 32.5 73.2 32.0 61 61 A L E -C 36 0B 110 -2,-0.6 2,-0.3 -25,-0.2 -25,-0.2 -0.831 12.5-150.5 -95.2 136.4 34.3 70.7 34.2 62 62 A F - 0 0 14 -27,-2.2 3,-0.1 -2,-0.4 4,-0.0 -0.785 21.6-130.8-109.1 152.1 33.2 70.8 37.8 63 63 A A S S- 0 0 64 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.804 91.7 -11.3 -63.0 -31.1 35.1 70.0 41.0 64 64 A N S > S- 0 0 24 -29,-0.1 4,-1.6 1,-0.1 -1,-0.2 -0.973 74.7 -95.9-162.4 168.8 32.2 67.8 42.1 65 65 A M H > S+ 0 0 0 -32,-0.4 4,-2.3 -2,-0.3 5,-0.2 0.871 119.0 60.3 -63.4 -36.5 28.6 66.9 41.3 66 66 A R H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.935 104.5 48.2 -55.0 -50.0 27.4 69.4 43.9 67 67 A D H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.869 109.5 54.5 -61.3 -35.2 29.1 72.4 42.1 68 68 A A H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.937 109.4 47.1 -63.1 -42.5 27.6 71.1 38.8 69 69 A S H X S+ 0 0 59 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.915 111.2 50.0 -65.5 -43.8 24.1 71.2 40.3 70 70 A Q H X S+ 0 0 60 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.863 107.8 54.5 -63.8 -36.6 24.5 74.7 41.8 71 71 A W H X S+ 0 0 18 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.828 103.7 56.6 -66.7 -30.0 25.7 75.9 38.4 72 72 A I H X S+ 0 0 39 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.932 108.6 45.6 -66.3 -43.0 22.5 74.6 36.9 73 73 A K H X S+ 0 0 48 -4,-1.7 4,-2.4 1,-0.2 3,-0.4 0.938 111.0 52.9 -64.8 -46.7 20.4 76.7 39.2 74 74 A R H X S+ 0 0 135 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.916 105.2 55.3 -54.1 -44.6 22.5 79.7 38.7 75 75 A M H X>S+ 0 0 14 -4,-2.1 5,-2.6 1,-0.2 4,-2.4 0.853 108.7 47.6 -60.5 -34.9 22.1 79.4 34.9 76 76 A E H <5S+ 0 0 147 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.905 107.7 55.6 -70.5 -39.0 18.3 79.4 35.4 77 77 A D H <5S+ 0 0 129 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.762 113.9 42.1 -61.7 -26.0 18.6 82.5 37.7 78 78 A I H <5S- 0 0 117 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.833 115.2-118.0 -87.0 -39.9 20.4 84.1 34.7 79 79 A G T <5 + 0 0 61 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.704 68.4 123.8 106.2 31.2 18.1 82.8 32.1 80 80 A L < - 0 0 109 -5,-2.6 -1,-0.3 -41,-0.0 -2,-0.2 -0.939 64.5 -99.9-127.1 146.8 20.4 80.7 30.0 81 81 A E - 0 0 62 -2,-0.3 2,-0.7 1,-0.1 -41,-0.4 -0.344 23.4-157.0 -63.1 131.3 20.4 77.0 28.9 82 82 A A - 0 0 5 -43,-0.1 -43,-0.2 -2,-0.1 2,-0.1 -0.937 23.8-161.4-107.8 104.4 22.6 74.6 30.8 83 83 A L B +D 38 0B 0 -45,-2.4 -45,-2.7 -2,-0.7 2,-0.1 -0.413 36.4 55.4 -88.2 160.9 23.1 71.7 28.4 84 84 A G S S- 0 0 5 293,-2.0 2,-0.7 -47,-0.2 -47,-0.1 -0.429 92.2 -34.5 111.7 174.5 24.3 68.2 29.0 85 85 A M - 0 0 7 -49,-0.2 -49,-0.1 1,-0.2 6,-0.1 -0.579 45.5-177.0 -75.6 113.5 23.4 65.1 31.0 86 86 A D + 0 0 79 -2,-0.7 2,-1.2 1,-0.1 -1,-0.2 0.594 68.6 81.2 -89.5 -13.8 22.0 66.3 34.4 87 87 A D S >> S- 0 0 22 1,-0.2 4,-1.2 2,-0.0 3,-1.1 -0.813 71.1-165.9 -89.3 98.3 21.6 62.7 35.7 88 88 A F H 3> S+ 0 0 4 -2,-1.2 4,-3.2 1,-0.3 -1,-0.2 0.750 79.0 59.0 -63.9 -29.3 25.3 62.3 36.7 89 89 A K H 3> S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.806 103.8 53.0 -73.0 -26.1 25.3 58.6 37.2 90 90 A L H <> S+ 0 0 4 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.854 111.8 46.4 -69.2 -36.0 24.1 58.2 33.6 91 91 A A H X S+ 0 0 10 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.941 111.8 51.2 -66.7 -49.0 27.1 60.3 32.6 92 92 A Y H X S+ 0 0 7 -4,-3.2 4,-3.2 1,-0.2 5,-0.3 0.942 111.3 47.0 -51.2 -53.3 29.3 58.3 34.9 93 93 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.897 112.2 50.9 -58.6 -41.1 28.2 55.0 33.3 94 94 A S H < S+ 0 0 5 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.905 114.7 42.5 -64.7 -41.7 28.7 56.5 29.8 95 95 A D H >< S+ 0 0 77 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.963 119.0 44.3 -65.6 -52.0 32.2 57.6 30.6 96 96 A T H 3< S+ 0 0 45 -4,-3.2 2,-0.3 1,-0.3 -2,-0.2 0.816 119.8 39.9 -64.7 -36.5 33.1 54.4 32.5 97 97 A Y T 3< + 0 0 1 -4,-2.6 2,-2.2 -5,-0.3 -1,-0.3 -0.497 66.7 164.3-118.7 60.1 31.6 52.0 29.9 98 98 A N < + 0 0 78 -3,-0.7 2,-0.3 -2,-0.3 -4,-0.1 -0.241 57.6 56.9 -74.5 49.1 32.5 53.6 26.6 99 99 A Y S S- 0 0 82 -2,-2.2 2,-0.7 -5,-0.0 -2,-0.0 -0.963 103.9 -66.5-163.0 173.2 31.7 50.4 24.6 100 100 A E - 0 0 156 -2,-0.3 2,-0.3 1,-0.1 247,-0.1 -0.621 61.1-126.5 -71.6 111.4 28.9 47.9 23.8 101 101 A I - 0 0 14 -2,-0.7 2,-0.6 245,-0.4 -97,-0.1 -0.446 23.7-167.1 -68.2 124.4 28.5 46.2 27.2 102 102 A K - 0 0 110 -99,-0.3 2,-0.3 -2,-0.3 -100,-0.1 -0.967 16.1-166.9-106.9 116.2 28.8 42.5 27.1 103 103 A Y - 0 0 51 -2,-0.6 2,-0.6 -102,-0.0 3,-0.1 -0.716 21.9-141.7-107.4 156.1 27.6 41.1 30.4 104 104 A D > - 0 0 47 -2,-0.3 3,-2.1 1,-0.1 4,-0.4 -0.915 11.5-165.3-115.7 102.4 27.8 37.7 32.0 105 105 A H G > S+ 0 0 118 -2,-0.6 3,-1.4 1,-0.3 -1,-0.1 0.781 85.3 65.8 -61.3 -29.0 24.5 37.0 33.8 106 106 A T G 3 S+ 0 0 71 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.714 98.5 55.5 -66.0 -16.7 26.0 34.2 35.8 107 107 A K G < S+ 0 0 80 -3,-2.1 2,-0.5 2,-0.1 -1,-0.3 0.577 91.1 89.8 -89.1 -10.6 28.2 36.7 37.5 108 108 A I S < S- 0 0 2 -3,-1.4 2,-1.0 -4,-0.4 33,-0.0 -0.777 78.6-131.5 -93.1 122.6 25.2 38.8 38.6 109 109 A R - 0 0 41 -2,-0.5 102,-2.7 100,-0.2 103,-1.7 -0.584 25.8-174.5 -77.9 104.0 23.7 37.9 41.9 110 110 A V E -g 212 0D 19 -2,-1.0 31,-2.5 101,-0.2 2,-0.4 -0.900 4.6-167.3 -98.8 118.1 19.9 37.6 41.4 111 111 A A E -gH 213 140D 0 101,-2.7 103,-2.7 -2,-0.6 2,-0.5 -0.880 8.1-169.9-107.4 132.1 18.0 37.0 44.7 112 112 A N E +gH 214 139D 7 27,-2.4 27,-3.3 -2,-0.4 2,-0.3 -0.992 20.3 168.9-116.4 123.8 14.4 35.9 44.9 113 113 A F E - 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0 0 21 0, 0.0 2,-0.5 0, 0.0 -10,-0.2 -0.249 40.9-145.6 -60.0 144.8 -8.8 26.9 12.9 721 724 A K E -U 709 0H 124 -12,-2.7 -12,-2.2 -4,-0.0 2,-0.3 -0.950 9.7-128.2-117.3 127.1 -8.2 29.6 15.6 722 725 A L E -U 708 0H 22 -2,-0.5 2,-0.7 -14,-0.2 -14,-0.2 -0.548 15.7-160.8 -70.1 128.1 -10.8 32.2 16.6 723 726 A K E +U 707 0H 49 -16,-3.1 -16,-2.4 -2,-0.3 2,-0.5 -0.937 18.5 176.9-106.5 107.7 -9.4 35.7 16.5 724 727 A I E -U 706 0H 8 -2,-0.7 2,-0.4 -18,-0.2 -18,-0.2 -0.954 7.4-171.5-116.4 128.3 -11.8 37.7 18.6 725 728 A M E -U 705 0H 72 -20,-3.2 -20,-2.0 -2,-0.5 2,-1.0 -0.967 63.7 -12.7-122.1 129.5 -11.2 41.4 19.3 726 729 A G S S+ 0 0 35 -2,-0.4 -22,-0.2 -22,-0.2 -20,-0.1 -0.064 93.0 124.5 83.3 -38.4 -13.0 43.7 21.7 727 730 A L S > S- 0 0 0 -2,-1.0 3,-2.4 -22,-0.4 4,-0.2 -0.016 79.9 -98.1 -57.9 164.6 -15.9 41.3 22.4 728 731 A E G > S+ 0 0 45 1,-0.3 3,-1.4 2,-0.2 6,-0.3 0.716 117.9 71.8 -63.8 -22.4 -16.7 40.3 26.0 729 732 A T G 3 S+ 0 0 12 1,-0.3 -1,-0.3 10,-0.1 -2,-0.1 0.720 99.8 49.8 -62.6 -18.2 -14.8 37.0 25.7 730 733 A Q G < S+ 0 0 98 -3,-2.4 2,-0.4 -4,-0.0 -1,-0.3 0.504 91.1 96.2 -98.8 -5.6 -11.6 39.1 25.7 731 734 A K X - 0 0 62 -3,-1.4 3,-1.5 -4,-0.2 8,-0.1 -0.730 64.1-146.8-102.2 134.0 -12.3 41.2 28.8 732 735 A S T 3 S+ 0 0 25 -2,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.716 98.3 66.1 -67.0 -19.6 -11.0 40.5 32.2 733 736 A S T 3 S+ 0 0 55 45,-0.1 46,-1.8 2,-0.1 -1,-0.3 0.640 82.7 92.1 -77.7 -14.3 -14.2 41.9 33.7 734 737 A T S < S- 0 0 13 -3,-1.5 43,-0.1 -6,-0.3 44,-0.1 -0.588 90.2-102.1 -83.4 138.8 -16.4 39.1 32.2 735 738 A P > - 0 0 3 0, 0.0 4,-2.6 0, 0.0 3,-0.2 -0.259 30.0-119.2 -59.9 146.9 -17.1 36.1 34.3 736 739 A K H > S+ 0 0 85 38,-0.4 4,-2.3 41,-0.3 5,-0.2 0.910 112.5 45.4 -51.9 -47.6 -14.9 33.1 33.4 737 740 A A H > S+ 0 0 14 38,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.801 111.7 52.6 -71.3 -29.2 -17.8 30.8 32.5 738 741 A V H > S+ 0 0 2 37,-0.6 4,-3.5 -3,-0.2 5,-0.3 0.916 108.8 50.4 -70.2 -42.6 -19.5 33.5 30.5 739 742 A Q H X S+ 0 0 36 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.956 113.6 45.0 -55.3 -51.2 -16.3 34.1 28.5 740 743 A K H X S+ 0 0 163 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.941 117.0 45.6 -61.7 -46.2 -16.1 30.3 27.8 741 744 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.958 113.5 47.4 -62.2 -53.7 -19.8 30.2 26.9 742 745 A L H X S+ 0 0 0 -4,-3.5 4,-2.1 1,-0.2 -1,-0.2 0.876 111.2 52.9 -58.3 -37.9 -19.8 33.3 24.8 743 746 A K H X S+ 0 0 100 -4,-2.6 4,-3.0 -5,-0.3 -1,-0.2 0.915 107.7 50.9 -65.1 -39.2 -16.7 32.0 23.0 744 747 A E H X S+ 0 0 47 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.909 108.0 52.4 -66.8 -38.4 -18.4 28.7 22.2 745 748 A C H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.919 112.7 46.3 -57.1 -42.8 -21.4 30.6 20.8 746 749 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.919 109.4 52.3 -69.0 -44.0 -19.1 32.5 18.6 747 750 A R H X S+ 0 0 55 -4,-3.0 4,-2.2 2,-0.2 5,-0.4 0.933 113.0 47.2 -53.8 -45.5 -17.1 29.4 17.6 748 751 A R H X>S+ 0 0 48 -4,-2.6 4,-2.9 1,-0.2 5,-2.6 0.944 111.2 49.4 -64.0 -50.7 -20.5 27.8 16.6 749 752 A M H <5S+ 0 0 0 -4,-2.7 -54,-2.5 3,-0.2 -1,-0.2 0.913 119.5 37.7 -47.9 -50.4 -21.7 30.9 14.7 750 753 A L H <5S+ 0 0 0 -4,-2.6 -54,-1.9 -56,-0.3 -1,-0.2 0.762 129.7 28.1 -81.6 -26.8 -18.5 31.2 12.7 751 754 A Q H <5S+ 0 0 27 -4,-2.2 -57,-0.7 -5,-0.3 -3,-0.2 0.729 133.4 17.9-108.2 -29.3 -17.8 27.5 12.1 752 755 A E T <5S- 0 0 79 -4,-2.9 -59,-0.7 -5,-0.4 -3,-0.2 0.750 96.6-117.8-119.0 -39.6 -21.1 25.7 12.2 753 756 A G >< - 0 0 3 -5,-2.6 4,-1.6 1,-0.2 3,-0.4 -0.571 42.4 -52.3 116.7 175.4 -24.0 28.0 11.6 754 757 A E H > S+ 0 0 74 -61,-0.3 4,-2.4 1,-0.2 5,-0.2 0.822 123.4 58.5 -61.2 -40.7 -27.1 29.3 13.4 755 758 A E H > S+ 0 0 158 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 106.4 50.5 -61.5 -40.6 -28.7 26.0 14.3 756 759 A S H > S+ 0 0 12 -3,-0.4 4,-2.3 2,-0.2 5,-0.2 0.967 108.4 52.7 -56.5 -54.5 -25.6 25.0 16.2 757 760 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.905 109.2 48.9 -45.6 -51.7 -25.7 28.3 18.1 758 761 A Q H X S+ 0 0 32 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.874 108.3 53.2 -64.3 -38.7 -29.3 27.8 19.1 759 762 A E H X S+ 0 0 117 -4,-2.1 4,-2.0 -3,-0.2 -1,-0.2 0.956 112.2 45.4 -56.8 -51.7 -28.7 24.3 20.4 760 763 A Y H X S+ 0 0 50 -4,-2.3 4,-3.2 1,-0.2 -2,-0.2 0.923 111.7 51.2 -61.1 -47.0 -25.8 25.4 22.6 761 764 A F H X S+ 0 0 2 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.930 106.9 53.3 -58.4 -49.8 -27.7 28.4 24.0 762 765 A K H X S+ 0 0 131 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.945 113.9 44.2 -46.6 -51.0 -30.7 26.3 24.9 763 766 A E H X S+ 0 0 97 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.927 111.8 51.2 -65.6 -45.8 -28.4 24.0 26.8 764 767 A F H X S+ 0 0 24 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.948 110.0 50.0 -57.0 -47.7 -26.5 26.8 28.5 765 768 A E H < S+ 0 0 84 -4,-3.1 -1,-0.2 1,-0.2 4,-0.2 0.887 111.4 50.2 -58.9 -38.8 -29.6 28.5 29.7 766 769 A K H < S+ 0 0 135 -4,-1.9 3,-0.3 -5,-0.3 -1,-0.2 0.919 122.4 26.4 -65.9 -44.6 -30.9 25.3 31.1 767 770 A E H >< S+ 0 0 106 -4,-2.2 3,-2.1 1,-0.2 4,-0.2 0.542 87.7 100.4-101.0 -8.7 -27.8 24.3 33.1 768 771 A F G >< + 0 0 12 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.636 67.6 72.8 -65.0 -15.7 -26.0 27.5 34.0 769 772 A R G 3 S+ 0 0 121 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.577 89.8 62.7 -73.2 -9.5 -27.3 27.8 37.6 770 773 A Q G < S+ 0 0 163 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.513 76.5 117.0 -94.0 -4.8 -25.0 24.9 38.6 771 774 A L S < S- 0 0 53 -3,-1.4 5,-0.1 -4,-0.2 -3,-0.0 -0.346 80.1 -95.5 -64.0 139.2 -21.8 26.9 37.7 772 775 A N >> - 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0 0 102 -2,-0.3 2,-0.1 -3,-0.1 3,-0.1 -0.550 51.8-103.1 -68.3 141.0 -13.1 32.4 48.1 851 854 A I - 0 0 1 -2,-0.2 5,-0.1 1,-0.1 -1,-0.1 -0.483 53.7 -84.0 -66.7 140.6 -15.5 34.8 49.8 852 855 A T >> - 0 0 22 1,-0.1 3,-2.0 -2,-0.1 4,-1.5 -0.129 32.2-123.4 -50.3 138.7 -15.0 34.6 53.6 853 856 A D H 3> S+ 0 0 136 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.770 103.9 78.9 -54.9 -26.3 -16.9 31.7 55.3 854 857 A L H 34 S+ 0 0 83 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.857 118.4 6.1 -48.1 -39.7 -18.6 34.3 57.5 855 858 A I H <> S+ 0 0 10 -3,-2.0 4,-2.1 2,-0.1 -1,-0.2 0.408 99.3 104.1-128.3 -3.6 -21.0 35.2 54.7 856 859 A K H X S+ 0 0 44 -4,-1.5 4,-2.5 1,-0.2 5,-0.2 0.895 82.4 49.1 -54.1 -49.8 -20.3 32.7 51.9 857 860 A D H X S+ 0 0 124 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.916 112.3 48.8 -58.6 -44.2 -23.4 30.5 52.4 858 861 A D H > S+ 0 0 85 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.862 110.4 51.9 -61.8 -38.0 -25.7 33.6 52.5 859 862 A V H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.928 109.7 48.7 -66.2 -45.5 -24.2 35.0 49.3 860 863 A L H < S+ 0 0 54 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.887 110.7 51.0 -60.6 -41.3 -24.7 31.7 47.5 861 864 A H H < S+ 0 0 117 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.901 118.0 38.8 -62.7 -38.4 -28.3 31.5 48.6 862 865 A W H < S+ 0 0 52 -4,-1.8 -29,-3.2 -5,-0.2 -2,-0.2 0.484 79.4 128.9 -99.8 -2.6 -29.0 35.0 47.4 863 866 A M B < -B 832 0M 1 -4,-1.3 2,-1.0 -3,-0.3 -31,-0.3 -0.173 60.5-127.9 -48.5 145.3 -27.0 35.3 44.2 864 867 A D > + 0 0 28 -33,-2.7 4,-2.4 1,-0.2 3,-0.3 -0.744 32.2 174.2-102.5 86.3 -29.2 36.6 41.4 865 868 A Y H > S+ 0 0 45 -2,-1.0 4,-2.4 1,-0.2 5,-0.2 0.820 77.2 58.8 -60.5 -32.2 -28.7 34.0 38.6 866 869 A T H > S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.918 111.0 39.1 -65.7 -43.5 -31.4 35.8 36.5 867 870 A V H >>S+ 0 0 47 -3,-0.3 4,-3.2 2,-0.2 5,-0.5 0.952 113.6 55.3 -71.2 -48.3 -29.6 39.1 36.4 868 871 A L H X>S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 5,-0.6 0.923 113.3 42.7 -46.2 -50.8 -26.2 37.5 36.0 869 872 A L H X>S+ 0 0 13 -4,-2.4 5,-2.6 -5,-0.2 4,-1.4 0.916 118.4 40.8 -66.7 -48.9 -27.4 35.6 33.0 870 873 A E H <>S+ 0 0 85 -4,-2.1 5,-2.0 3,-0.2 -1,-0.2 0.869 123.1 39.9 -69.9 -37.7 -29.4 38.4 31.2 871 874 A K H <5S+ 0 0 95 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.862 126.5 28.6 -83.6 -39.5 -26.8 41.1 32.0 872 875 A T H < S+ 0 0 14 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.936 115.8 52.0 -55.6 -46.9 -23.6 40.6 24.8 877 880 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.903 107.3 52.2 -57.8 -43.5 -24.9 37.5 22.9 878 881 A E H X S+ 0 0 92 -4,-3.5 4,-2.4 1,-0.2 5,-0.3 0.913 107.9 53.0 -55.7 -45.0 -27.7 39.6 21.5 879 882 A G H X S+ 0 0 31 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.926 110.3 46.7 -58.4 -47.2 -25.2 42.2 20.3 880 883 A F H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.904 115.2 44.3 -60.0 -44.3 -23.1 39.6 18.5 881 884 A T H X>S+ 0 0 2 -4,-2.2 5,-2.7 2,-0.2 4,-0.9 0.875 109.8 51.0 -83.1 -36.8 -26.0 37.9 16.7 882 885 A S H ><5S+ 0 0 59 -4,-2.4 3,-0.9 3,-0.2 -1,-0.2 0.936 110.0 54.5 -60.3 -43.7 -28.0 40.9 15.6 883 886 A A H 3<5S+ 0 0 9 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.925 113.8 40.3 -51.0 -47.0 -24.7 42.2 14.1 884 887 A A H 3<5S- 0 0 0 -4,-1.7 -1,-0.2 -485,-0.2 -484,-0.2 0.486 114.8-115.3 -87.5 -3.3 -24.3 38.9 12.2 885 888 A K T <<5S+ 0 0 138 -3,-0.9 2,-0.3 -4,-0.9 -3,-0.2 0.881 74.5 114.9 73.1 39.9 -28.0 38.7 11.2 886 889 A L < - 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