==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 20-JAN-11 3QET . COMPND 2 MOLECULE: DNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE RB69; . AUTHOR S.XIA,W.H.KONIGSBERG,J.WANG . 903 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 630 69.8 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 66 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.0 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 2 1 4 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 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 4 2 3 4 4 2 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 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 0 106 0, 0.0 23,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 152.4 -36.7 -20.3 33.3 2 2 A K - 0 0 115 1,-0.1 2,-0.1 100,-0.1 18,-0.0 -0.462 360.0-114.0 -72.7 143.3 -35.4 -16.8 33.9 3 3 A E - 0 0 51 -2,-0.1 2,-0.3 100,-0.1 99,-0.2 -0.392 33.5-177.7 -76.4 153.0 -34.0 -15.0 30.8 4 4 A F E -A 20 0A 0 16,-1.4 16,-2.9 -2,-0.1 100,-0.0 -0.985 24.6-113.0-150.7 145.0 -30.4 -14.1 30.3 5 5 A Y E -A 19 0A 0 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.256 16.8-172.0 -70.0 159.6 -28.4 -12.3 27.7 6 6 A L E S- 0 0 1 12,-3.3 349,-0.4 1,-0.5 2,-0.3 0.661 72.1 -6.3-112.7 -55.0 -25.8 -13.9 25.4 7 7 A T E -A 18 0A 2 11,-1.5 11,-2.2 347,-0.1 -1,-0.5 -0.974 57.2-162.9-140.4 155.6 -24.3 -10.8 23.7 8 8 A V E +A 17 0A 0 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.999 10.9 174.5-139.2 137.6 -24.9 -7.1 23.6 9 9 A E E -A 16 0A 12 7,-2.3 7,-2.9 -2,-0.3 2,-0.6 -0.993 25.3-136.9-137.2 148.3 -23.7 -4.4 21.1 10 10 A Q E +A 15 0A 60 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.936 24.0 174.1-101.0 121.6 -24.4 -0.8 20.4 11 11 A I E > -A 14 0A 40 3,-3.2 3,-1.6 -2,-0.6 2,-0.2 -0.896 62.9 -59.3-127.8 99.4 -24.8 0.1 16.7 12 12 A G T 3 S- 0 0 20 -2,-0.5 53,-0.1 1,-0.3 -1,-0.0 -0.461 120.2 -14.8 62.8-128.4 -25.8 3.7 16.3 13 13 A D T 3 S+ 0 0 46 -2,-0.2 2,-0.4 52,-0.1 -1,-0.3 0.252 124.5 90.6 -88.2 13.4 -29.1 4.4 18.2 14 14 A S E < -A 11 0A 12 -3,-1.6 -3,-3.2 18,-0.2 2,-0.5 -0.896 61.9-151.7-117.4 138.7 -29.7 0.7 18.4 15 15 A I E -AB 10 31A 0 16,-3.0 16,-3.2 -2,-0.4 2,-0.5 -0.933 16.4-157.6 -97.2 125.7 -28.8 -2.0 21.0 16 16 A F E -AB 9 30A 38 -7,-2.9 -7,-2.3 -2,-0.5 2,-0.4 -0.953 16.5-178.0-105.8 121.7 -28.5 -5.4 19.4 17 17 A E E -AB 8 29A 0 12,-2.5 12,-2.5 -2,-0.5 2,-0.4 -0.975 21.3-164.1-126.8 130.5 -29.0 -8.2 21.9 18 18 A R E +AB 7 28A 2 -11,-2.2 -12,-3.3 -2,-0.4 -11,-1.5 -0.927 32.9 156.5-103.0 139.0 -28.8 -12.0 21.5 19 19 A Y E -AB 5 27A 30 8,-2.7 8,-3.1 -2,-0.4 2,-0.5 -0.956 45.9-107.2-155.2 167.7 -30.4 -13.7 24.5 20 20 A I E -AB 4 26A 2 -16,-2.9 -16,-1.4 -2,-0.3 6,-0.2 -0.937 39.2-145.1-103.6 124.1 -32.1 -16.9 25.8 21 21 A D > - 0 0 13 4,-3.0 3,-2.1 -2,-0.5 -17,-0.0 -0.136 34.0 -86.6 -82.6-177.5 -35.8 -16.5 26.3 22 22 A S T 3 S+ 0 0 61 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.669 128.5 54.2 -68.8 -16.5 -38.1 -18.0 29.1 23 23 A N T 3 S- 0 0 115 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.318 121.7-106.4 -94.1 5.3 -38.5 -21.2 27.0 24 24 A G S < S+ 0 0 12 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.660 75.0 140.1 78.0 17.8 -34.8 -21.6 26.7 25 25 A R - 0 0 151 1,-0.0 -4,-3.0 0, 0.0 2,-0.4 -0.727 56.1-117.2 -95.2 142.7 -34.7 -20.5 23.0 26 26 A E E +B 20 0A 69 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.667 42.9 170.7 -77.7 127.3 -32.0 -18.4 21.5 27 27 A R E -B 19 0A 128 -8,-3.1 -8,-2.7 -2,-0.4 2,-0.3 -0.877 22.8-149.3-133.2 161.8 -33.5 -15.1 20.2 28 28 A T E +B 18 0A 80 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.982 16.4 179.6-131.3 143.7 -32.1 -11.7 18.8 29 29 A R E -B 17 0A 69 -12,-2.5 -12,-2.5 -2,-0.3 2,-0.5 -0.997 23.1-141.8-146.1 145.3 -33.7 -8.3 19.2 30 30 A E E -B 16 0A 119 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.928 24.8-168.5-102.8 124.5 -32.9 -4.7 18.1 31 31 A V E -B 15 0A 44 -16,-3.2 -16,-3.0 -2,-0.5 2,-2.0 -0.968 25.7-143.2-122.4 124.0 -33.8 -2.1 20.7 32 32 A E - 0 0 149 -2,-0.5 -18,-0.2 -18,-0.2 2,-0.0 -0.559 39.0-152.2 -77.1 75.8 -33.9 1.7 20.3 33 33 A Y - 0 0 21 -2,-2.0 32,-0.3 -20,-0.2 59,-0.0 -0.278 12.4-150.9 -66.1 130.3 -32.6 2.1 23.8 34 34 A K - 0 0 129 30,-0.1 29,-0.1 31,-0.1 -1,-0.1 -0.836 22.8-163.9-101.3 97.2 -33.6 5.3 25.6 35 35 A P - 0 0 1 0, 0.0 27,-2.5 0, 0.0 2,-0.4 -0.352 6.7-144.7 -82.7 160.9 -30.7 6.0 28.0 36 36 A S E +C 61 0B 28 25,-0.2 2,-0.2 49,-0.1 49,-0.2 -0.959 16.6 175.4-121.8 143.9 -30.6 8.3 31.0 37 37 A L E -C 60 0B 2 23,-1.8 23,-3.3 -2,-0.4 2,-0.3 -0.735 21.1-130.5-128.1-176.7 -27.8 10.5 32.4 38 38 A F E -CD 59 83B 27 45,-2.2 45,-2.8 -2,-0.2 2,-0.3 -0.979 12.8-163.8-143.7 149.2 -27.9 13.0 35.3 39 39 A A E -C 58 0B 12 19,-1.9 19,-2.9 -2,-0.3 43,-0.1 -0.976 36.4-100.9-130.8 146.4 -26.9 16.5 36.3 40 40 A H E -C 57 0B 80 41,-0.4 17,-0.3 -2,-0.3 10,-0.0 -0.372 43.9-171.0 -59.9 141.0 -26.6 18.1 39.7 41 41 A C - 0 0 20 15,-1.7 2,-0.1 4,-0.1 -1,-0.0 -0.788 31.0 -74.2-127.8 172.9 -29.6 20.2 40.6 42 42 A P > - 0 0 80 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.390 38.3-119.1 -71.4 152.6 -30.5 22.6 43.5 43 43 A E T 3 S+ 0 0 133 1,-0.3 14,-0.1 -2,-0.1 -2,-0.0 0.800 111.4 64.4 -57.3 -34.1 -31.2 21.2 47.0 44 44 A S T 3 S+ 0 0 116 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.662 84.1 93.6 -63.7 -19.9 -34.7 22.8 46.9 45 45 A Q S < S- 0 0 84 -3,-1.9 2,-0.2 1,-0.1 -4,-0.1 -0.684 78.0-127.8 -87.7 124.1 -35.6 20.5 44.0 46 46 A A + 0 0 96 -2,-0.5 2,-0.3 10,-0.1 -2,-0.1 -0.459 43.1 150.8 -69.7 133.7 -37.4 17.2 44.9 47 47 A T - 0 0 39 -2,-0.2 11,-0.1 11,-0.1 3,-0.0 -0.984 49.6-142.8-157.9 156.0 -35.8 14.1 43.4 48 48 A K S S+ 0 0 108 -2,-0.3 2,-0.5 9,-0.1 10,-0.1 0.488 82.0 89.4 -94.8 -6.7 -35.3 10.3 44.1 49 49 A Y + 0 0 44 8,-0.5 8,-2.2 329,-0.1 2,-0.4 -0.798 49.2 169.7-104.0 128.4 -31.8 10.5 42.6 50 50 A F E -Ef 56 378C 83 327,-1.2 329,-2.2 -2,-0.5 -10,-0.0 -0.993 30.4-124.1-133.5 139.8 -28.6 11.3 44.6 51 51 A D E > - f 0 379C 11 4,-2.9 3,-2.0 -2,-0.4 329,-0.2 -0.152 47.3 -88.8 -70.2 177.4 -24.9 11.1 43.7 52 52 A I T 3 S+ 0 0 9 327,-0.8 -1,-0.1 1,-0.3 328,-0.1 0.710 128.9 54.6 -68.0 -17.3 -22.7 9.0 45.9 53 53 A Y T 3 S- 0 0 137 2,-0.1 -1,-0.3 376,-0.0 -2,-0.0 0.315 123.0-102.7 -95.3 5.0 -22.0 12.0 48.2 54 54 A G S < S+ 0 0 37 -3,-2.0 -2,-0.1 1,-0.3 -5,-0.0 0.559 73.4 143.6 86.5 10.7 -25.7 12.6 48.8 55 55 A K - 0 0 100 1,-0.1 -4,-2.9 -15,-0.0 -1,-0.3 -0.676 53.7-109.1 -84.7 135.4 -26.0 15.6 46.4 56 56 A P B -E 50 0C 5 0, 0.0 -15,-1.7 0, 0.0 2,-0.3 -0.284 36.5-171.8 -66.0 146.9 -29.3 15.8 44.5 57 57 A C E -C 40 0B 0 -8,-2.2 -8,-0.5 -17,-0.3 2,-0.4 -0.962 18.3-135.2-134.7 152.6 -29.5 15.1 40.7 58 58 A T E -C 39 0B 28 -19,-2.9 -19,-1.9 -2,-0.3 2,-0.3 -0.889 26.0-123.3-103.8 141.5 -32.1 15.4 38.0 59 59 A R E -C 38 0B 121 -2,-0.4 2,-0.6 -21,-0.2 -21,-0.2 -0.666 15.9-155.3 -82.0 134.3 -32.5 12.6 35.5 60 60 A K E -C 37 0B 91 -23,-3.3 -23,-1.8 -2,-0.3 2,-0.6 -0.952 8.6-160.1-108.8 108.7 -32.1 13.5 31.8 61 61 A L E -C 36 0B 105 -2,-0.6 2,-0.3 -25,-0.2 -25,-0.2 -0.817 11.9-153.2 -90.6 121.1 -34.1 11.0 29.7 62 62 A F - 0 0 22 -27,-2.5 3,-0.1 -2,-0.6 4,-0.0 -0.706 20.8-138.1 -99.3 146.3 -32.8 11.0 26.1 63 63 A A S S- 0 0 76 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.744 89.3 -0.6 -68.8 -26.5 -34.7 10.1 22.9 64 64 A N S > S- 0 0 37 -29,-0.1 4,-1.6 1,-0.1 -1,-0.1 -0.969 73.8-104.5-156.2 171.3 -31.6 8.2 21.7 65 65 A M H > S+ 0 0 0 -2,-0.3 4,-2.2 -32,-0.3 5,-0.1 0.835 116.8 55.9 -71.1 -34.1 -28.0 7.3 22.6 66 66 A R H > S+ 0 0 148 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.914 106.1 51.8 -63.4 -41.9 -26.5 9.8 20.2 67 67 A D H > S+ 0 0 74 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.911 109.4 50.5 -58.2 -43.0 -28.4 12.6 21.9 68 68 A A H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.895 111.1 48.5 -62.5 -42.1 -27.1 11.3 25.2 69 69 A S H X S+ 0 0 42 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.911 110.0 50.7 -62.6 -45.5 -23.5 11.4 23.8 70 70 A Q H X S+ 0 0 94 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.805 107.2 55.4 -65.4 -28.5 -23.9 14.9 22.4 71 71 A W H X S+ 0 0 25 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.2 0.897 103.7 54.1 -70.2 -40.0 -25.1 16.1 25.8 72 72 A I H X S+ 0 0 34 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.918 108.9 49.0 -56.8 -46.2 -22.0 14.7 27.4 73 73 A K H X S+ 0 0 119 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.911 111.5 48.7 -61.8 -44.0 -19.8 16.8 25.0 74 74 A R H X S+ 0 0 136 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.904 110.0 51.5 -62.3 -42.7 -21.9 20.0 25.7 75 75 A M H X>S+ 0 0 15 -4,-2.6 5,-2.4 2,-0.2 4,-2.3 0.891 108.2 52.1 -61.8 -42.3 -21.6 19.5 29.4 76 76 A E H <5S+ 0 0 141 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.909 111.0 47.7 -56.6 -44.7 -17.8 19.1 29.1 77 77 A D H <5S+ 0 0 128 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.822 112.8 47.6 -68.4 -34.7 -17.7 22.4 27.2 78 78 A I H <5S- 0 0 119 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.834 115.2-121.7 -70.9 -34.6 -20.0 24.1 29.7 79 79 A G T <5 + 0 0 61 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.772 66.6 126.2 94.9 33.3 -17.7 22.7 32.5 80 80 A L < - 0 0 106 -5,-2.4 -1,-0.3 -41,-0.0 -2,-0.1 -0.938 64.6 -99.3-123.3 148.2 -20.3 20.7 34.5 81 81 A E - 0 0 38 -2,-0.3 2,-0.6 1,-0.1 -41,-0.4 -0.394 25.0-155.7 -66.7 132.2 -20.3 17.1 35.6 82 82 A A - 0 0 6 -2,-0.1 -43,-0.2 -43,-0.1 2,-0.1 -0.951 23.6-161.9-108.1 108.3 -22.4 14.7 33.4 83 83 A L B +D 38 0B 1 -45,-2.8 -45,-2.2 -2,-0.6 2,-0.1 -0.442 35.7 52.4 -95.6 164.5 -23.2 11.8 35.7 84 84 A G S S- 0 0 5 296,-2.3 2,-0.8 -47,-0.2 -47,-0.1 -0.329 94.1 -32.9 105.0 175.6 -24.5 8.2 35.2 85 85 A M - 0 0 7 -49,-0.2 -49,-0.1 1,-0.2 6,-0.1 -0.570 47.3-177.5 -75.0 109.3 -23.4 5.2 33.1 86 86 A D + 0 0 80 -2,-0.8 2,-1.1 1,-0.1 -1,-0.2 0.594 68.6 80.7 -84.1 -15.7 -21.9 6.4 29.9 87 87 A D S >> S- 0 0 23 1,-0.2 4,-1.3 2,-0.0 3,-1.1 -0.809 71.3-165.8 -88.2 94.6 -21.4 2.9 28.5 88 88 A F H 3> S+ 0 0 4 -2,-1.1 4,-2.9 1,-0.3 -1,-0.2 0.776 78.9 59.7 -61.6 -32.0 -25.0 2.5 27.3 89 89 A K H 3> S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.844 105.1 51.4 -66.9 -30.6 -24.9 -1.3 26.8 90 90 A L H <> S+ 0 0 4 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.865 111.0 48.0 -66.0 -39.9 -24.0 -1.7 30.5 91 91 A A H X S+ 0 0 11 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.924 111.4 51.5 -64.4 -44.1 -27.0 0.5 31.4 92 92 A Y H X S+ 0 0 8 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.932 110.1 47.3 -57.9 -49.9 -29.1 -1.6 29.0 93 93 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.911 112.3 51.2 -59.1 -42.7 -28.0 -4.9 30.6 94 94 A S H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.896 114.3 42.8 -60.4 -44.5 -28.7 -3.4 34.1 95 95 A D H < S+ 0 0 87 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.831 118.2 44.8 -67.6 -38.0 -32.2 -2.2 33.0 96 96 A T H < S+ 0 0 46 -4,-2.5 2,-0.4 1,-0.3 -2,-0.2 0.827 121.2 36.1 -80.7 -33.7 -33.1 -5.5 31.2 97 97 A Y < + 0 0 2 -4,-2.4 2,-1.6 -5,-0.2 -1,-0.3 -0.658 67.0 164.8-122.2 70.1 -31.8 -7.9 33.8 98 98 A N + 0 0 84 -3,-0.4 2,-0.3 -2,-0.4 -4,-0.1 -0.413 57.9 63.0 -87.6 59.7 -32.6 -6.2 37.1 99 99 A Y S S- 0 0 63 -2,-1.6 2,-0.5 -5,-0.0 -2,-0.0 -0.948 102.9 -71.4-167.5 163.9 -32.1 -9.4 39.1 100 100 A E - 0 0 148 -2,-0.3 2,-0.3 1,-0.1 250,-0.1 -0.587 59.3-121.1 -69.7 119.7 -29.2 -11.9 39.9 101 101 A I - 0 0 18 -2,-0.5 2,-0.6 248,-0.4 -97,-0.1 -0.464 25.5-169.4 -72.2 123.8 -28.6 -13.7 36.7 102 102 A K - 0 0 138 -2,-0.3 2,-0.3 -99,-0.2 -100,-0.1 -0.958 18.9-169.7-107.7 111.3 -29.0 -17.5 36.7 103 103 A Y - 0 0 53 -2,-0.6 2,-0.6 243,-0.0 -100,-0.1 -0.687 21.8-141.7-105.6 157.8 -27.6 -18.8 33.5 104 104 A D > - 0 0 56 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.949 7.5-163.3-118.7 107.6 -27.7 -22.2 31.8 105 105 A H G > S+ 0 0 117 -2,-0.6 3,-1.2 1,-0.3 5,-0.1 0.730 85.0 69.4 -63.9 -24.1 -24.4 -23.0 30.1 106 106 A T G 3 S+ 0 0 79 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.651 98.7 51.6 -70.6 -15.2 -26.0 -25.8 28.0 107 107 A K G < S+ 0 0 80 -3,-1.7 2,-0.6 2,-0.1 -1,-0.3 0.506 91.0 92.0 -93.6 -8.4 -27.9 -23.1 26.1 108 108 A I S < S- 0 0 0 -3,-1.2 2,-1.0 -4,-0.3 33,-0.0 -0.795 76.6-133.5 -94.7 119.4 -24.8 -21.1 25.3 109 109 A R - 0 0 37 -2,-0.6 102,-2.7 100,-0.2 103,-1.7 -0.590 24.5-173.1 -76.4 102.7 -23.2 -22.0 22.0 110 110 A V E -g 212 0D 25 -2,-1.0 31,-1.7 101,-0.2 2,-0.4 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35.9-121.6 -53.9 137.4 -12.7 -37.5 53.8 523 523 A S > - 0 0 48 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.313 27.4-104.5 -70.0 163.3 -14.7 -39.0 56.7 524 524 A D H > S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.884 122.7 55.0 -55.9 -39.7 -13.1 -41.6 58.9 525 525 A E H > S+ 0 0 134 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.876 108.0 47.6 -64.5 -39.5 -15.1 -44.3 57.2 526 526 A I H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.900 109.4 53.7 -67.6 -42.1 -13.8 -43.3 53.7 527 527 A K H X S+ 0 0 74 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.867 107.7 51.5 -59.4 -37.3 -10.2 -43.3 55.0 528 528 A E H < S+ 0 0 103 -4,-1.9 4,-0.3 2,-0.2 -1,-0.2 0.916 110.7 47.7 -64.6 -42.7 -10.7 -46.8 56.3 529 529 A K H >< S+ 0 0 133 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.857 108.0 55.6 -67.3 -36.4 -12.0 -47.9 52.8 530 530 A I H >< S+ 0 0 1 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.884 98.4 61.5 -62.4 -41.5 -9.1 -46.2 51.1 531 531 A K T 3< S+ 0 0 139 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.585 107.4 46.6 -62.0 -11.3 -6.6 -48.2 53.2 532 532 A K T < S+ 0 0 130 -3,-1.1 -1,-0.3 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25.9 781 781 A S E -Y 832 0J 31 51,-2.2 51,-2.3 -2,-0.3 2,-0.3 -0.303 21.5-139.8 -77.3 170.5 17.9 -19.6 27.7 782 782 A V E +Y 831 0J 7 -46,-1.6 2,-0.3 49,-0.2 49,-0.2 -0.990 23.6 165.8-136.6 140.7 14.6 -17.9 27.0 783 783 A S E -Y 830 0J 37 47,-1.9 47,-2.9 -2,-0.3 2,-0.2 -0.983 37.8-113.9-150.2 147.7 13.5 -14.3 26.7 784 784 A S E -Y 829 0J 45 -2,-0.3 2,-0.6 45,-0.3 45,-0.2 -0.563 34.2-137.7 -68.1 146.1 10.6 -12.2 25.4 785 785 A A + 0 0 0 43,-2.3 42,-3.0 40,-0.2 43,-0.3 -0.841 30.5 170.3-118.6 95.6 11.8 -10.2 22.4 786 786 A N + 0 0 86 -2,-0.6 19,-0.1 1,-0.2 40,-0.0 -0.755 59.2 8.5-105.7 150.0 10.5 -6.6 22.4 787 787 A N > + 0 0 96 -2,-0.3 4,-0.7 1,-0.1 3,-0.2 0.835 67.1 162.0 51.3 44.2 11.4 -3.6 20.2 788 788 A I T >4 + 0 0 5 -3,-0.3 3,-0.8 1,-0.2 4,-0.1 0.875 69.7 58.3 -55.2 -43.4 13.5 -5.8 17.8 789 789 A A G >4 S+ 0 0 29 1,-0.2 3,-2.5 2,-0.2 -1,-0.2 0.897 93.7 64.5 -54.5 -49.5 13.3 -3.0 15.1 790 790 A K G 34 S+ 0 0 140 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.784 109.3 39.4 -47.5 -35.5 14.9 -0.3 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0.0 -1,-0.1 0, 0.0 21,-0.0 0.546 109.2 69.9 -73.5 -5.5 30.2 -18.7 10.8 841 841 A F T 3 S- 0 0 22 2,-0.2 3,-0.1 20,-0.1 -28,-0.1 0.628 100.6-132.5 -82.1 -17.2 27.2 -16.6 12.1 842 842 A G S < S+ 0 0 63 -3,-1.4 2,-0.3 1,-0.2 -5,-0.0 0.679 70.1 74.2 76.3 20.8 29.6 -13.7 12.8 843 843 A D S S- 0 0 26 -7,-0.1 -2,-0.2 -36,-0.0 -1,-0.2 -0.970 85.7-102.9-158.6 172.2 28.4 -13.0 16.3 844 844 A K S S+ 0 0 112 -2,-0.3 -9,-2.9 -10,-0.1 2,-0.3 0.470 94.1 15.0 -84.1 -4.8 28.4 -14.1 20.0 845 845 A C E -Z 834 0J 0 -11,-0.3 2,-0.3 -39,-0.1 -35,-0.2 -0.990 56.1-147.9-161.0 162.1 24.9 -15.6 20.1 846 846 A I E -Z 833 0J 0 -13,-2.6 -13,-2.7 -2,-0.3 2,-0.3 -0.973 11.7-167.8-133.7 149.2 21.9 -16.9 18.2 847 847 A A E +Z 832 0J 0 -40,-1.9 -15,-0.2 -2,-0.3 -36,-0.2 -0.998 7.3 174.3-139.3 141.5 18.1 -16.8 19.0 848 848 A W E -Z 831 0J 1 -17,-1.5 -17,-2.8 -2,-0.3 4,-0.1 -0.940 47.5 -63.4-143.0 161.3 15.1 -18.5 17.4 849 849 A P E > -Z 830 0J 24 0, 0.0 3,-0.9 0, 0.0 -19,-0.3 -0.196 60.0-116.3 -52.4 128.8 11.3 -18.9 18.1 850 850 A S T 3 S+ 0 0 17 -21,-2.3 -562,-0.2 1,-0.2 3,-0.1 -0.220 94.4 34.5 -65.0 155.3 10.8 -20.7 21.4 851 851 A G T 3 S+ 0 0 22 1,-0.2 2,-0.3 -564,-0.1 -1,-0.2 0.543 105.1 92.3 76.1 7.7 9.0 -24.1 21.6 852 852 A T S < S- 0 0 53 -3,-0.9 2,-0.2 -4,-0.1 -1,-0.2 -0.924 79.3-110.7-130.3 155.2 10.5 -25.1 18.2 853 853 A E - 0 0 89 -2,-0.3 2,-0.2 -3,-0.1 3,-0.1 -0.601 48.8-104.1 -69.3 141.7 13.5 -26.9 16.8 854 854 A I - 0 0 2 -2,-0.2 5,-0.2 1,-0.1 -1,-0.1 -0.517 55.2 -80.1 -68.0 140.2 15.9 -24.4 15.0 855 855 A T >> - 0 0 27 -2,-0.2 3,-1.8 1,-0.1 4,-1.4 -0.098 39.9-119.4 -48.9 136.6 15.5 -24.8 11.2 856 856 A D H 3> S+ 0 0 137 1,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.688 106.1 66.9 -54.8 -25.5 17.4 -27.8 9.8 857 857 A L H 34 S+ 0 0 118 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.810 117.3 21.5 -67.8 -31.1 19.6 -25.6 7.5 858 858 A I H <> S+ 0 0 13 -3,-1.8 4,-2.1 2,-0.1 -2,-0.2 0.465 99.7 91.0-115.4 -4.9 21.4 -23.9 10.4 859 859 A K H X S+ 0 0 51 -4,-1.4 4,-2.6 1,-0.2 5,-0.2 0.920 85.4 54.1 -55.8 -50.0 20.9 -26.4 13.2 860 860 A D H X S+ 0 0 92 -4,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.886 110.4 46.4 -49.8 -47.1 24.1 -28.3 12.4 861 861 A D H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.866 110.2 52.8 -68.5 -39.5 26.2 -25.1 12.7 862 862 A V H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.933 110.3 47.9 -61.6 -46.0 24.5 -24.1 16.0 863 863 A L H < S+ 0 0 73 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.856 113.5 48.4 -61.5 -37.7 25.3 -27.5 17.5 864 864 A H H < S+ 0 0 120 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.836 120.1 35.9 -70.5 -35.1 28.9 -27.3 16.3 865 865 A W H < S+ 0 0 58 -4,-2.0 -29,-2.8 -5,-0.1 -2,-0.2 0.464 79.7 131.4-107.7 -2.3 29.4 -23.7 17.6 866 866 A M B < -B 835 0L 0 -4,-1.6 2,-1.1 -31,-0.2 -31,-0.2 -0.200 57.3-132.0 -44.8 133.4 27.4 -23.7 20.9 867 867 A D > + 0 0 31 -33,-2.6 4,-2.1 1,-0.2 -1,-0.1 -0.752 32.3 171.9 -95.8 90.0 29.5 -22.3 23.7 868 868 A Y H > S+ 0 0 37 -2,-1.1 4,-2.9 2,-0.2 5,-0.3 0.882 75.5 58.1 -61.7 -42.4 28.9 -24.9 26.5 869 869 A T H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 110.4 43.2 -55.8 -47.4 31.5 -23.3 28.8 870 870 A V H > S+ 0 0 48 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.896 113.1 52.3 -66.4 -42.6 29.7 -20.0 28.7 871 871 A L H X>S+ 0 0 4 -4,-2.1 4,-2.3 2,-0.2 5,-0.5 0.911 111.7 45.4 -60.0 -47.4 26.2 -21.6 29.1 872 872 A L H X>S+ 0 0 15 -4,-2.9 5,-2.6 2,-0.2 4,-1.6 0.925 115.7 47.7 -61.1 -47.5 27.3 -23.6 32.2 873 873 A E H <>S+ 0 0 87 -4,-2.1 5,-2.4 -5,-0.3 -2,-0.2 0.923 119.5 36.1 -60.4 -50.5 29.0 -20.6 33.7 874 874 A K H <5S+ 0 0 102 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.902 126.8 30.8 -75.1 -44.9 26.2 -18.1 33.2 875 875 A T H <5S+ 0 0 18 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.762 134.1 16.4 -91.7 -26.1 23.0 -20.2 33.7 876 876 A F T X S+ 0 0 13 0, 0.0 4,-2.0 0, 0.0 3,-0.3 0.954 115.0 51.4 -60.7 -43.0 23.3 -18.8 40.2 880 880 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.3 5,-0.2 0.868 105.4 55.1 -61.0 -38.5 24.5 -21.8 42.2 881 881 A E H X S+ 0 0 90 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.875 106.9 52.8 -58.9 -39.2 27.4 -19.7 43.6 882 882 A G H X S+ 0 0 31 -4,-1.6 4,-1.6 -3,-0.3 -2,-0.2 0.944 111.2 44.8 -58.4 -50.5 24.7 -17.2 44.8 883 883 A F H X S+ 0 0 4 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.913 117.1 44.0 -62.3 -45.6 22.8 -19.9 46.6 884 884 A T H X>S+ 0 0 1 -4,-2.6 5,-3.1 2,-0.2 4,-0.6 0.853 110.4 50.9 -78.3 -37.1 25.8 -21.5 48.3 885 885 A S H <5S+ 0 0 68 -4,-2.2 3,-0.5 -5,-0.2 -1,-0.2 0.902 114.0 47.7 -64.5 -38.9 27.7 -18.4 49.4 886 886 A A H <5S+ 0 0 10 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.936 114.9 45.1 -61.3 -45.3 24.4 -17.2 51.0 887 887 A A H <5S- 0 0 0 -4,-2.1 -1,-0.2 -485,-0.2 -2,-0.2 0.511 112.3-122.9 -76.6 -6.1 24.0 -20.7 52.6 888 888 A K T <5S+ 0 0 136 -4,-0.6 2,-0.3 -3,-0.5 -3,-0.2 0.897 71.9 121.5 58.6 46.7 27.7 -20.7 53.7 889 889 A L < - 0 0 11 -5,-3.1 2,-0.4 -6,-0.1 -1,-0.2 -0.856 58.2-127.4-128.6 163.8 28.3 -23.9 51.8 890 890 A D - 0 0 61 -2,-0.3 -129,-0.2 1,-0.1 -130,-0.1 -0.946 6.8-163.0-117.1 137.6 30.6 -25.0 48.9 891 891 A Y S S+ 0 0 33 -2,-0.4 2,-0.4 1,-0.2 -126,-0.2 0.653 87.8 43.9 -87.8 -19.7 29.5 -26.7 45.7 892 892 A E S S- 0 0 99 -128,-0.1 2,-0.3 -127,-0.0 -1,-0.2 -0.988 97.1-110.1-120.1 137.4 33.1 -27.8 45.1 893 893 A K - 0 0 146 -2,-0.4 2,-0.1 -3,-0.1 -2,-0.0 -0.491 42.2-139.5 -63.9 120.9 35.4 -29.2 47.8 894 894 A K - 0 0 144 -2,-0.3 -1,-0.1 1,-0.1 -4,-0.0 -0.474 24.5 -83.3 -88.2 159.6 38.0 -26.4 48.3 895 895 A A + 0 0 82 -2,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.221 55.9 159.6 -61.4 145.3 41.8 -26.9 48.9 896 896 A S > - 0 0 49 1,-0.0 3,-1.6 0, 0.0 4,-0.2 -0.940 57.0 -90.0-154.7 173.3 43.1 -27.7 52.3 897 897 A L G > S+ 0 0 150 -2,-0.3 3,-1.7 1,-0.3 4,-0.1 0.741 116.8 72.5 -59.9 -26.8 46.0 -29.1 54.2 898 898 A F G > S+ 0 0 130 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.701 77.0 77.8 -63.7 -21.1 44.3 -32.5 53.9 899 899 A D G < S+ 0 0 90 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.675 79.4 71.7 -61.8 -17.5 45.2 -32.5 50.2 900 900 A M G < S+ 0 0 162 -3,-1.7 -1,-0.3 -4,-0.2 2,-0.2 0.636 92.0 72.1 -72.3 -15.0 48.7 -33.5 51.3 901 901 A F S < S- 0 0 136 -3,-2.0 2,-1.0 -4,-0.1 0, 0.0 -0.685 85.2-119.1-103.8 156.4 47.4 -37.0 52.2 902 902 A D 0 0 168 -2,-0.2 -3,-0.1 1,-0.2 -2,-0.1 -0.767 360.0 360.0 -95.9 92.3 46.3 -39.9 50.0 903 903 A F 0 0 183 -2,-1.0 -1,-0.2 -5,-0.1 -4,-0.0 0.640 360.0 360.0 -97.5 360.0 42.6 -40.6 50.9