==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 20-JAN-11 3QEI . 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) . 41453.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 624 69.1 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 . 2 0.2 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 . 76 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 309 34.2 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 2 0 2 1 4 2 1 0 0 0 0 0 0 0 0 0 0 1 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 . 3 5 2 3 5 3 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 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 0 104 0, 0.0 2,-0.2 0, 0.0 23,-0.2 0.000 360.0 360.0 360.0 153.9 -36.7 -20.3 33.0 2 2 A K - 0 0 129 100,-0.1 18,-0.0 1,-0.1 2,-0.0 -0.528 360.0-115.7 -72.0 134.8 -35.3 -16.9 33.7 3 3 A E - 0 0 59 -2,-0.2 2,-0.3 100,-0.1 99,-0.2 -0.306 34.9-178.0 -68.7 150.2 -34.0 -15.0 30.6 4 4 A F E -A 20 0A 0 16,-1.5 16,-3.2 97,-0.1 2,-0.1 -0.988 24.3-111.6-150.4 147.1 -30.4 -14.1 30.2 5 5 A Y E -A 19 0A 0 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.323 17.7-173.6 -73.7 158.1 -28.3 -12.3 27.6 6 6 A L E S- 0 0 0 12,-3.3 349,-0.4 1,-0.5 2,-0.3 0.688 72.1 -6.3-112.0 -57.1 -25.6 -13.9 25.4 7 7 A T E -A 18 0A 2 11,-1.5 11,-1.8 347,-0.1 -1,-0.5 -0.947 58.2-165.1-136.6 159.8 -24.1 -10.8 23.7 8 8 A V E +A 17 0A 1 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.985 9.7 175.4-146.3 139.0 -24.8 -7.1 23.5 9 9 A E E -A 16 0A 14 7,-2.1 7,-2.6 -2,-0.3 2,-0.6 -0.989 26.4-136.0-138.7 148.0 -23.5 -4.4 21.2 10 10 A Q E +A 15 0A 61 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.945 24.0 176.8-100.3 121.7 -24.1 -0.7 20.6 11 11 A I E > -A 14 0A 38 3,-3.4 3,-2.0 -2,-0.6 2,-0.3 -0.908 62.8 -61.6-124.9 99.0 -24.5 0.1 16.9 12 12 A G T 3 S- 0 0 35 -2,-0.5 53,-0.0 1,-0.3 -1,-0.0 -0.457 120.3 -14.8 60.1-121.6 -25.2 3.8 16.4 13 13 A D T 3 S+ 0 0 41 -2,-0.3 2,-0.4 52,-0.1 -1,-0.3 0.240 124.4 88.8 -95.8 13.7 -28.5 4.5 18.2 14 14 A S E < -A 11 0A 10 -3,-2.0 -3,-3.4 18,-0.2 2,-0.5 -0.899 62.6-149.2-115.0 140.1 -29.4 0.7 18.4 15 15 A I E -AB 10 31A 0 16,-3.0 16,-2.8 -2,-0.4 2,-0.6 -0.928 15.3-158.0 -96.2 125.5 -28.6 -1.9 21.0 16 16 A F E -AB 9 30A 35 -7,-2.6 -7,-2.1 -2,-0.5 2,-0.4 -0.947 16.0-178.3-105.4 121.6 -28.2 -5.4 19.4 17 17 A E E -AB 8 29A 0 12,-2.3 12,-2.3 -2,-0.6 2,-0.4 -0.977 21.0-163.6-125.9 128.7 -28.8 -8.2 21.9 18 18 A R E +AB 7 28A 2 -11,-1.8 -12,-3.3 -2,-0.4 -11,-1.5 -0.910 33.5 160.1-101.1 137.0 -28.6 -12.0 21.5 19 19 A Y E -AB 5 27A 28 8,-2.7 8,-2.8 -2,-0.4 2,-0.5 -0.964 44.3-110.8-153.1 164.0 -30.3 -13.7 24.4 20 20 A I E -AB 4 26A 2 -16,-3.2 -16,-1.5 -2,-0.3 6,-0.2 -0.926 39.5-143.7-101.4 126.5 -31.9 -16.8 25.8 21 21 A D > - 0 0 11 4,-2.8 3,-2.3 -2,-0.5 -17,-0.0 -0.162 32.4 -87.0 -85.1-179.4 -35.7 -16.4 26.3 22 22 A S T 3 S+ 0 0 60 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.719 129.3 51.4 -62.9 -22.0 -38.1 -17.9 28.9 23 23 A N T 3 S- 0 0 116 2,-0.1 -1,-0.3 0, 0.0 -21,-0.1 0.390 120.8-107.8 -92.1 1.5 -38.5 -21.0 26.9 24 24 A G S < S+ 0 0 9 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.612 74.1 137.5 82.6 12.6 -34.7 -21.5 26.5 25 25 A R - 0 0 140 1,-0.0 -4,-2.8 0, 0.0 2,-0.4 -0.683 57.1-115.8 -90.5 144.8 -34.6 -20.5 22.8 26 26 A E E +B 20 0A 68 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.670 43.3 168.9 -78.8 130.2 -31.9 -18.3 21.3 27 27 A R E -B 19 0A 125 -8,-2.8 -8,-2.7 -2,-0.4 2,-0.3 -0.900 23.6-147.2-136.7 162.5 -33.3 -15.0 20.0 28 28 A T E -B 18 0A 78 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.990 16.8-179.6-130.2 142.0 -31.9 -11.7 18.7 29 29 A R E -B 17 0A 70 -12,-2.3 -12,-2.3 -2,-0.3 2,-0.5 -0.996 22.9-141.3-141.1 149.3 -33.5 -8.2 19.0 30 30 A E E -B 16 0A 118 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.952 24.5-172.1-106.4 122.9 -32.7 -4.6 18.0 31 31 A V E -B 15 0A 45 -16,-2.8 -16,-3.0 -2,-0.5 2,-1.8 -0.968 26.1-142.9-120.9 125.4 -33.7 -2.0 20.7 32 32 A E - 0 0 155 -2,-0.5 -18,-0.2 -18,-0.2 2,-0.1 -0.619 38.0-150.9 -82.1 80.7 -33.6 1.7 20.2 33 33 A Y - 0 0 19 -2,-1.8 32,-0.2 -20,-0.2 59,-0.0 -0.292 12.8-151.3 -67.6 131.2 -32.4 2.2 23.7 34 34 A K - 0 0 129 30,-0.1 29,-0.1 31,-0.1 -1,-0.1 -0.868 22.7-163.1-103.0 98.4 -33.3 5.4 25.5 35 35 A P - 0 0 1 0, 0.0 27,-2.3 0, 0.0 2,-0.4 -0.327 6.2-142.4 -80.8 160.7 -30.5 6.0 28.1 36 36 A S E +C 61 0B 28 25,-0.2 2,-0.2 49,-0.1 49,-0.2 -0.965 17.7 176.2-120.2 144.3 -30.5 8.3 31.1 37 37 A L E -C 60 0B 1 23,-1.9 23,-3.0 -2,-0.4 2,-0.3 -0.754 19.7-130.9-128.0-178.0 -27.8 10.4 32.5 38 38 A F E -CD 59 83B 26 45,-2.5 45,-3.0 -2,-0.2 2,-0.3 -0.970 14.0-167.5-142.1 150.0 -27.8 12.9 35.4 39 39 A A E -C 58 0B 11 19,-1.7 19,-3.0 -2,-0.3 43,-0.1 -0.974 38.3 -98.8-132.2 147.4 -26.9 16.4 36.5 40 40 A H E -C 57 0B 73 41,-0.4 17,-0.3 -2,-0.3 10,-0.0 -0.430 44.4-173.4 -61.5 136.5 -26.7 18.0 39.9 41 41 A C - 0 0 19 15,-1.6 4,-0.1 -2,-0.1 -1,-0.0 -0.871 33.1 -78.9-128.1 163.1 -29.8 20.1 40.7 42 42 A P - 0 0 80 0, 0.0 3,-0.4 0, 0.0 -1,-0.0 -0.288 38.5-121.1 -64.8 151.0 -30.7 22.4 43.6 43 43 A E S S+ 0 0 130 1,-0.2 2,-2.2 13,-0.0 4,-0.2 0.849 97.0 80.0 -58.9 -40.0 -31.9 20.8 46.9 44 44 A S S S+ 0 0 122 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 -0.056 80.3 79.0 -72.7 39.2 -35.3 22.4 47.0 45 45 A Q S S- 0 0 91 -2,-2.2 2,-0.7 -3,-0.4 -4,-0.1 -0.981 87.1-106.5-146.1 138.0 -37.0 20.1 44.5 46 46 A A + 0 0 115 -2,-0.3 2,-0.3 2,-0.1 -2,-0.1 -0.461 52.6 153.0 -69.1 104.4 -38.3 16.5 45.0 47 47 A T - 0 0 39 -2,-0.7 11,-0.1 -4,-0.2 -2,-0.0 -0.898 39.5-155.0-123.4 157.5 -36.0 14.0 43.4 48 48 A K S S+ 0 0 119 -2,-0.3 2,-0.5 9,-0.1 10,-0.1 0.319 72.5 90.9-108.2 5.0 -35.3 10.4 44.2 49 49 A Y E +E 57 0B 46 8,-0.5 8,-2.7 329,-0.0 2,-0.3 -0.891 48.6 170.1-110.1 127.6 -31.8 10.4 42.6 50 50 A F E -Ef 56 378B 75 327,-1.1 329,-2.3 -2,-0.5 -10,-0.0 -0.978 30.6-121.9-131.9 142.7 -28.7 11.3 44.7 51 51 A D E > - f 0 379B 8 4,-3.0 3,-1.7 -2,-0.3 329,-0.2 -0.149 47.0 -89.3 -71.3 179.8 -25.0 11.0 43.8 52 52 A I T 3 S+ 0 0 11 327,-0.7 -1,-0.1 1,-0.3 328,-0.1 0.707 128.4 55.7 -69.3 -17.6 -22.8 8.9 46.0 53 53 A Y T 3 S- 0 0 144 2,-0.1 -1,-0.3 376,-0.0 -2,-0.0 0.411 123.2-102.1 -93.1 0.5 -22.1 11.8 48.3 54 54 A G S < S+ 0 0 44 -3,-1.7 -2,-0.1 1,-0.3 -5,-0.0 0.478 74.0 143.3 94.0 5.0 -25.8 12.4 49.0 55 55 A K - 0 0 118 1,-0.1 -4,-3.0 -5,-0.0 -1,-0.3 -0.590 54.0-108.9 -81.9 137.7 -26.2 15.4 46.6 56 56 A P E - E 0 50B 4 0, 0.0 -15,-1.6 0, 0.0 2,-0.3 -0.364 36.5-171.9 -71.4 143.1 -29.4 15.7 44.7 57 57 A C E -CE 40 49B 0 -8,-2.7 -8,-0.5 -17,-0.3 2,-0.4 -0.921 17.7-136.4-128.7 155.2 -29.5 15.0 40.9 58 58 A T E -C 39 0B 43 -19,-3.0 -19,-1.7 -2,-0.3 2,-0.3 -0.908 25.6-123.2-108.0 140.8 -32.1 15.4 38.1 59 59 A R E -C 38 0B 107 -2,-0.4 2,-0.5 -21,-0.2 -21,-0.2 -0.651 16.2-157.8 -82.6 137.3 -32.5 12.6 35.5 60 60 A K E -C 37 0B 84 -23,-3.0 -23,-1.9 -2,-0.3 2,-0.5 -0.973 6.9-160.6-114.2 113.2 -32.2 13.4 31.9 61 61 A L E -C 36 0B 98 -2,-0.5 2,-0.3 -25,-0.2 -25,-0.2 -0.844 11.4-153.7 -94.1 124.7 -33.9 10.9 29.6 62 62 A F - 0 0 22 -27,-2.3 3,-0.1 -2,-0.5 -2,-0.0 -0.762 20.8-137.2-104.2 146.8 -32.7 11.0 26.0 63 63 A A S S- 0 0 73 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.727 89.4 -0.3 -69.9 -23.8 -34.5 10.0 22.9 64 64 A N S > S- 0 0 40 -29,-0.1 4,-1.4 1,-0.1 -1,-0.1 -0.964 74.5-103.3-158.3 173.0 -31.4 8.2 21.7 65 65 A M H > S+ 0 0 0 -2,-0.3 4,-2.4 -32,-0.2 5,-0.1 0.832 115.5 56.5 -75.7 -34.1 -27.8 7.4 22.6 66 66 A R H > S+ 0 0 129 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.935 106.4 51.6 -57.6 -49.7 -26.2 9.9 20.2 67 67 A D H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.883 110.1 49.1 -54.7 -42.1 -28.2 12.7 22.0 68 68 A A H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.921 112.3 47.8 -65.4 -45.5 -26.9 11.4 25.4 69 69 A S H X S+ 0 0 37 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.931 111.2 50.2 -56.7 -50.7 -23.3 11.4 24.1 70 70 A Q H X S+ 0 0 86 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.846 107.6 54.4 -60.7 -36.3 -23.6 14.9 22.6 71 71 A W H X S+ 0 0 23 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.873 102.9 56.8 -63.7 -39.6 -25.0 16.2 25.9 72 72 A I H X S+ 0 0 24 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.929 107.4 49.0 -54.2 -46.6 -22.0 14.8 27.7 73 73 A K H X S+ 0 0 116 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.870 109.2 51.1 -63.8 -41.1 -19.7 16.9 25.5 74 74 A R H X S+ 0 0 129 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.888 108.7 52.2 -63.4 -40.3 -21.8 20.1 26.1 75 75 A M H X>S+ 0 0 15 -4,-2.1 5,-2.7 2,-0.2 4,-1.8 0.848 108.2 50.5 -64.2 -37.9 -21.5 19.6 29.8 76 76 A E H <5S+ 0 0 113 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.880 111.5 49.7 -65.0 -38.2 -17.7 19.2 29.6 77 77 A D H <5S+ 0 0 140 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.795 113.0 45.2 -70.7 -33.5 -17.7 22.5 27.6 78 78 A I H <5S- 0 0 120 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.793 115.0-119.3 -75.3 -31.8 -19.8 24.2 30.2 79 79 A G T <5 + 0 0 63 -4,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.755 68.9 125.6 93.1 31.2 -17.7 22.8 33.0 80 80 A L < - 0 0 106 -5,-2.7 -1,-0.3 -6,-0.1 -2,-0.2 -0.952 64.7-100.3-123.8 145.9 -20.3 20.7 34.9 81 81 A E - 0 0 37 -2,-0.4 2,-0.7 1,-0.1 -41,-0.4 -0.352 23.1-153.4 -65.9 131.9 -20.3 17.1 35.8 82 82 A A - 0 0 4 301,-0.1 -43,-0.2 -43,-0.1 301,-0.2 -0.924 24.4-160.8-105.5 104.3 -22.4 14.7 33.6 83 83 A L B +D 38 0B 1 -45,-3.0 -45,-2.5 -2,-0.7 2,-0.1 -0.387 36.7 52.6 -90.4 162.5 -23.3 11.8 36.0 84 84 A G S S- 0 0 5 296,-2.2 2,-0.7 -47,-0.2 -47,-0.1 -0.310 93.5 -35.4 106.0 172.5 -24.4 8.2 35.3 85 85 A M - 0 0 6 -49,-0.2 -49,-0.1 1,-0.2 6,-0.1 -0.555 47.0-175.6 -73.8 110.3 -23.3 5.2 33.3 86 86 A D + 0 0 81 -2,-0.7 2,-1.1 1,-0.1 -1,-0.2 0.667 69.3 79.4 -83.6 -18.9 -21.8 6.5 30.0 87 87 A D S >> S- 0 0 23 1,-0.2 4,-1.2 2,-0.0 3,-1.2 -0.795 71.6-165.3 -85.3 96.9 -21.2 2.9 28.6 88 88 A F H 3> S+ 0 0 4 -2,-1.1 4,-3.0 1,-0.3 -1,-0.2 0.799 79.4 61.7 -65.0 -32.3 -24.9 2.5 27.5 89 89 A K H 3> S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.843 103.2 52.0 -62.1 -31.8 -24.7 -1.2 26.9 90 90 A L H <> S+ 0 0 3 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.864 111.1 47.6 -67.2 -36.8 -23.9 -1.7 30.6 91 91 A A H X S+ 0 0 10 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.924 110.8 51.6 -67.8 -43.6 -27.0 0.5 31.4 92 92 A Y H X S+ 0 0 8 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.938 111.0 46.9 -58.5 -50.2 -29.1 -1.6 29.0 93 93 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.926 112.4 50.8 -56.1 -45.2 -28.0 -4.9 30.6 94 94 A S H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.854 114.4 43.5 -61.9 -37.2 -28.7 -3.4 34.0 95 95 A D H < S+ 0 0 88 -4,-2.4 3,-0.4 1,-0.1 -1,-0.2 0.833 117.7 44.5 -73.9 -37.9 -32.2 -2.3 32.9 96 96 A T H < S+ 0 0 45 -4,-2.6 2,-0.4 1,-0.2 -2,-0.2 0.849 120.5 37.8 -78.8 -35.7 -33.0 -5.5 31.1 97 97 A Y < + 0 0 2 -4,-2.7 2,-1.8 -5,-0.2 -1,-0.2 -0.608 66.2 165.6-120.0 68.6 -31.7 -8.0 33.8 98 98 A N + 0 0 81 -3,-0.4 2,-0.3 -2,-0.4 -4,-0.1 -0.457 59.1 56.6 -86.4 63.8 -32.6 -6.3 37.0 99 99 A Y S S- 0 0 67 -2,-1.8 2,-0.4 -5,-0.0 -2,-0.0 -0.932 104.1 -65.5-176.3 165.9 -32.0 -9.5 39.1 100 100 A E - 0 0 172 -2,-0.3 2,-0.4 1,-0.1 250,-0.1 -0.565 59.1-120.6 -70.6 125.2 -29.2 -11.9 39.8 101 101 A I - 0 0 15 248,-0.4 2,-0.6 -2,-0.4 -97,-0.1 -0.536 26.2-171.6 -77.3 124.4 -28.5 -13.8 36.5 102 102 A K - 0 0 172 -2,-0.4 2,-0.2 -99,-0.2 -100,-0.1 -0.932 17.6-170.4-112.6 102.6 -28.9 -17.5 36.6 103 103 A Y - 0 0 43 -2,-0.6 2,-0.6 243,-0.0 3,-0.1 -0.627 21.7-140.3 -97.9 153.6 -27.5 -18.7 33.3 104 104 A D > - 0 0 50 -2,-0.2 3,-2.2 1,-0.1 4,-0.3 -0.921 8.9-162.9-113.4 104.5 -27.7 -22.2 31.7 105 105 A H G > S+ 0 0 120 -2,-0.6 3,-1.4 1,-0.3 -1,-0.1 0.753 85.6 69.3 -58.7 -28.1 -24.4 -23.0 30.0 106 106 A T G 3 S+ 0 0 77 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.609 99.4 51.3 -67.2 -11.6 -25.9 -25.8 28.0 107 107 A K G < S+ 0 0 68 -3,-2.2 2,-0.6 2,-0.1 -1,-0.3 0.482 90.5 92.2 -98.4 -8.6 -27.8 -23.1 26.0 108 108 A I S < S- 0 0 0 -3,-1.4 2,-1.0 -4,-0.3 33,-0.0 -0.794 76.4-133.4 -93.5 122.3 -24.7 -21.0 25.3 109 109 A R - 0 0 38 -2,-0.6 102,-2.7 100,-0.2 103,-2.0 -0.640 25.2-174.0 -79.0 104.5 -23.1 -21.9 21.9 110 110 A V E -g 212 0C 23 -2,-1.0 31,-2.1 101,-0.2 2,-0.5 -0.887 6.1-171.4-101.6 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53.7 523 523 A S > - 0 0 56 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.262 28.7-104.0 -66.6 165.2 -14.8 -39.0 56.6 524 524 A D H > S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.892 123.3 55.9 -58.5 -40.6 -13.2 -41.6 58.9 525 525 A E H > S+ 0 0 129 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 107.9 47.3 -56.5 -47.1 -15.2 -44.3 57.1 526 526 A I H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.917 110.0 52.6 -63.1 -45.5 -13.9 -43.2 53.7 527 527 A K H X S+ 0 0 77 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.852 109.5 50.2 -58.6 -36.4 -10.3 -43.2 55.0 528 528 A E H < S+ 0 0 101 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.899 111.0 47.7 -69.4 -41.3 -10.8 -46.8 56.3 529 529 A K H >< S+ 0 0 113 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.859 108.5 55.9 -64.7 -36.6 -12.1 -47.9 52.9 530 530 A I H >< S+ 0 0 2 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.881 96.8 62.8 -64.6 -39.5 -9.2 -46.2 51.1 531 531 A K T 3< S+ 0 0 133 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.570 106.9 47.1 -61.0 -9.3 -6.7 -48.2 53.2 532 532 A K T < S+ 0 0 142 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.308 90.3 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51.2 -74.8 -37.2 19.2 -25.8 34.6 742 742 A Q H X S+ 0 0 35 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.933 112.9 47.8 -59.9 -46.3 16.0 -25.2 36.6 743 743 A K H X S+ 0 0 163 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.918 114.5 45.4 -60.4 -46.0 16.0 -29.0 37.2 744 744 A A H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.911 113.9 47.5 -67.4 -45.8 19.7 -29.1 38.2 745 745 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.859 110.6 53.1 -62.3 -37.8 19.5 -26.0 40.5 746 746 A K H X S+ 0 0 106 -4,-2.3 4,-3.2 -5,-0.2 -1,-0.2 0.890 109.4 47.8 -65.8 -40.1 16.4 -27.4 42.2 747 747 A E H X S+ 0 0 44 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.891 109.7 53.7 -66.8 -38.9 18.1 -30.7 42.9 748 748 A C H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.902 113.0 44.1 -57.2 -43.6 21.1 -28.7 44.2 749 749 A I H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.940 110.5 53.3 -67.8 -48.2 18.7 -26.9 46.6 750 750 A R H X S+ 0 0 54 -4,-3.2 4,-2.3 1,-0.2 5,-0.4 0.916 112.3 47.0 -52.7 -44.5 16.9 -30.2 47.5 751 751 A R H X>S+ 0 0 34 -4,-2.7 5,-3.0 2,-0.2 4,-2.4 0.938 112.3 48.1 -65.4 -47.6 20.3 -31.6 48.5 752 752 A M H <5S+ 0 0 0 -4,-2.3 -54,-2.4 3,-0.2 -53,-0.2 0.932 119.0 40.4 -53.8 -49.0 21.4 -28.5 50.4 753 753 A L H <5S+ 0 0 0 -4,-3.2 -54,-1.6 -56,-0.3 -2,-0.2 0.804 129.6 24.3 -75.4 -32.1 18.1 -28.4 52.3 754 754 A Q H <5S+ 0 0 26 -4,-2.3 -57,-0.8 -5,-0.3 -3,-0.2 0.739 134.9 18.0-107.3 -28.4 17.5 -32.1 53.0 755 755 A E T <5S- 0 0 78 -4,-2.4 -59,-0.7 -5,-0.4 -3,-0.2 0.734 95.2-125.7-123.1 -40.9 20.9 -33.8 52.9 756 756 A G >< - 0 0 3 -5,-3.0 4,-1.7 1,-0.2 -1,-0.2 -0.624 40.9 -41.8 121.4-174.1 23.8 -31.3 53.3 757 757 A E H > S+ 0 0 74 -61,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.878 125.8 51.5 -60.0 -46.6 27.0 -30.0 51.8 758 758 A E H > S+ 0 0 158 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.925 109.1 50.1 -60.9 -47.9 28.5 -33.3 50.8 759 759 A S H > S+ 0 0 15 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.887 111.3 51.3 -56.9 -40.5 25.4 -34.5 48.9 760 760 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.921 108.6 49.8 -60.7 -46.9 25.5 -31.1 47.1 761 761 A Q H X S+ 0 0 27 -4,-2.4 4,-1.8 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-4,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.887 110.6 45.6 -59.1 -44.3 24.3 -27.9 12.6 861 861 A D H > S+ 0 0 67 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.892 109.9 53.6 -68.8 -43.0 26.4 -24.7 13.0 862 862 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.929 110.2 47.8 -57.0 -48.2 24.7 -23.7 16.2 863 863 A L H < S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.879 113.1 49.2 -58.9 -39.8 25.5 -27.0 17.8 864 864 A H H < S+ 0 0 121 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.875 120.0 35.0 -67.7 -38.7 29.1 -26.8 16.6 865 865 A W H < S+ 0 0 57 -4,-2.4 -29,-2.4 -5,-0.1 -2,-0.2 0.474 81.5 132.4-103.3 -5.1 29.6 -23.2 17.9 866 866 A M B < -B 835 0K 1 -4,-1.7 2,-1.1 -31,-0.2 -31,-0.2 -0.175 57.1-132.5 -40.3 130.2 27.5 -23.4 21.1 867 867 A D > + 0 0 28 -33,-2.3 4,-2.2 1,-0.2 5,-0.1 -0.706 32.1 171.8 -96.0 87.2 29.5 -21.9 24.0 868 868 A Y H > S+ 0 0 34 -2,-1.1 4,-3.1 1,-0.2 5,-0.3 0.884 75.1 56.9 -57.8 -43.2 29.0 -24.5 26.7 869 869 A T H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.936 111.4 41.0 -56.2 -52.2 31.5 -22.9 29.1 870 870 A V H > S+ 0 0 49 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.921 115.3 52.7 -62.4 -43.7 29.8 -19.5 29.1 871 871 A L H X>S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 5,-0.5 0.909 111.2 45.0 -60.4 -47.5 26.4 -21.2 29.3 872 872 A L H X>S+ 0 0 18 -4,-3.1 5,-2.5 1,-0.2 4,-1.6 0.916 116.2 48.0 -62.0 -44.1 27.3 -23.3 32.3 873 873 A E H <>S+ 0 0 67 -4,-2.2 5,-2.5 -5,-0.3 -2,-0.2 0.925 118.6 37.2 -61.5 -52.3 29.0 -20.3 34.0 874 874 A K H <5S+ 0 0 105 -4,-3.1 -2,-0.2 3,-0.2 -3,-0.2 0.873 126.2 31.9 -72.3 -43.6 26.1 -17.8 33.4 875 875 A T H <5S+ 0 0 18 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.800 134.2 14.3 -91.6 -30.1 23.0 -20.0 33.9 876 876 A F T X S+ 0 0 12 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.930 114.6 52.2 -63.6 -40.1 23.2 -18.6 40.6 880 880 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.883 106.4 53.6 -62.3 -37.9 24.5 -21.6 42.5 881 881 A E H X S+ 0 0 88 -4,-2.8 4,-2.2 -5,-0.2 5,-0.3 0.880 107.8 52.1 -61.4 -38.9 27.3 -19.5 43.9 882 882 A G H X S+ 0 0 28 -4,-1.6 4,-1.5 -5,-0.2 -2,-0.2 0.942 112.7 43.9 -60.0 -48.2 24.6 -17.0 45.0 883 883 A F H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.926 117.0 44.8 -63.8 -46.4 22.7 -19.8 46.8 884 884 A T H <>S+ 0 0 1 -4,-3.0 5,-2.9 2,-0.2 4,-0.3 0.860 111.0 49.7 -75.7 -37.4 25.7 -21.4 48.5 885 885 A S H ><5S+ 0 0 63 -4,-2.2 3,-0.8 -5,-0.2 -1,-0.2 0.888 112.1 50.4 -67.3 -37.5 27.6 -18.3 49.7 886 886 A A H 3<5S+ 0 0 9 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.924 113.3 46.7 -58.4 -42.9 24.3 -17.1 51.2 887 887 A A T 3<5S- 0 0 0 -4,-1.8 -1,-0.2 -485,-0.2 -2,-0.2 0.429 112.9-119.9 -81.8 -0.2 24.0 -20.5 52.9 888 888 A K T < 5S+ 0 0 138 -3,-0.8 2,-0.3 -4,-0.3 -3,-0.2 0.945 74.4 125.9 56.3 52.4 27.7 -20.5 54.0 889 889 A L < - 0 0 11 -5,-2.9 2,-0.4 -6,-0.1 -1,-0.2 -0.923 56.5-134.2-139.4 154.6 28.2 -23.6 52.0 890 890 A D - 0 0 77 -2,-0.3 -129,-0.2 -3,-0.1 3,-0.1 -0.956 6.5-165.6-116.8 134.7 30.5 -24.8 49.2 891 891 A Y S S+ 0 0 33 -2,-0.4 2,-0.4 1,-0.2 -127,-0.2 0.618 87.1 45.6 -87.8 -16.5 29.4 -26.5 46.0 892 892 A E S S- 0 0 103 -128,-0.1 -1,-0.2 -127,-0.0 -130,-0.0 -0.996 100.7-104.0-125.3 132.8 33.1 -27.5 45.4 893 893 A K - 0 0 158 -2,-0.4 2,-0.2 -3,-0.1 -2,-0.1 -0.312 39.9-130.3 -57.4 126.8 35.4 -28.9 48.1 894 894 A K - 0 0 157 1,-0.1 2,-0.1 -4,-0.0 -1,-0.1 -0.486 23.9-100.9 -78.5 148.7 37.8 -26.2 49.2 895 895 A A + 0 0 70 -2,-0.2 2,-0.3 3,-0.0 -1,-0.1 -0.435 52.2 162.8 -66.1 144.1 41.5 -26.8 49.4 896 896 A S > - 0 0 50 -2,-0.1 3,-2.0 1,-0.0 4,-0.1 -0.938 56.0 -86.6-153.5 171.9 42.9 -27.5 52.8 897 897 A L G > S+ 0 0 158 -2,-0.3 3,-1.4 1,-0.3 4,-0.1 0.745 117.2 72.4 -53.4 -28.0 45.9 -28.9 54.8 898 898 A F G > S+ 0 0 131 1,-0.3 3,-1.9 2,-0.1 -1,-0.3 0.648 73.6 82.7 -65.8 -17.9 44.3 -32.3 54.4 899 899 A D G < S+ 0 0 98 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.576 75.7 72.9 -65.5 -9.4 45.1 -32.4 50.7 900 900 A M G < S+ 0 0 169 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.1 0.629 98.6 53.9 -76.8 -15.7 48.6 -33.6 51.7 901 901 A F S < S- 0 0 134 -3,-1.9 2,-0.2 -4,-0.1 -3,-0.0 -0.418 86.1-106.0-106.0-179.4 47.1 -37.1 52.6 902 902 A D 0 0 144 -2,-0.1 -3,-0.1 1,-0.1 -2,-0.0 -0.781 360.0 360.0-155.9 119.6 45.0 -39.7 50.8 903 903 A F 0 0 188 -2,-0.2 -1,-0.1 -5,-0.1 -4,-0.0 0.660 360.0 360.0 85.6 360.0 42.0 -40.1 51.5