==== 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 3QEV . COMPND 2 MOLECULE: DNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE RB69; . AUTHOR S.XIA,W.H.KONIGSBERG,J.WANG . 901 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 627 69.6 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 . 121 13.4 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 . 1 0.1 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 . 68 7.5 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 . 308 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 3 2 3 0 1 2 1 5 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 3 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 4 3 2 4 2 3 1 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 0 106 0, 0.0 2,-0.2 0, 0.0 23,-0.2 0.000 360.0 360.0 360.0 157.1 -36.8 -17.7 36.3 2 2 A K - 0 0 130 1,-0.1 18,-0.0 21,-0.1 2,-0.0 -0.556 360.0-113.3 -73.6 138.4 -35.4 -14.2 36.7 3 3 A E - 0 0 52 -2,-0.2 2,-0.3 100,-0.1 99,-0.2 -0.321 33.6-172.4 -71.6 153.0 -34.3 -12.7 33.4 4 4 A F E -A 20 0A 0 16,-1.6 16,-3.0 97,-0.1 2,-0.0 -0.992 22.4-114.5-146.5 145.3 -30.6 -11.9 32.7 5 5 A Y E -A 19 0A 0 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.335 17.7-173.1 -71.6 155.9 -28.8 -10.1 29.9 6 6 A L E S- 0 0 0 12,-3.3 349,-0.4 1,-0.5 2,-0.3 0.703 72.6 -8.4-108.3 -53.6 -26.4 -11.8 27.5 7 7 A T E -A 18 0A 2 11,-1.7 11,-2.0 347,-0.1 -1,-0.5 -0.967 58.9-163.7-141.2 156.7 -25.0 -8.8 25.6 8 8 A V E +A 17 0A 0 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.997 10.9 173.7-142.6 142.1 -25.8 -5.1 25.4 9 9 A E E -A 16 0A 11 7,-1.9 7,-2.7 -2,-0.3 2,-0.5 -0.990 27.2-135.0-142.2 149.6 -24.7 -2.5 22.9 10 10 A Q E +A 15 0A 54 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.953 25.2 174.9 -99.2 124.4 -25.4 1.2 22.1 11 11 A I E > -A 14 0A 35 3,-2.9 3,-1.6 -2,-0.5 2,-0.2 -0.911 64.0 -55.8-129.1 103.3 -26.1 1.8 18.4 12 12 A G T 3 S- 0 0 21 -2,-0.4 53,-0.0 1,-0.2 -1,-0.0 -0.467 120.9 -17.3 61.0-126.3 -27.0 5.4 17.8 13 13 A D T 3 S+ 0 0 45 -2,-0.2 2,-0.4 52,-0.1 -1,-0.2 0.205 123.5 87.5 -95.7 16.9 -30.1 6.2 20.0 14 14 A S E < -A 11 0A 14 -3,-1.6 -3,-2.9 18,-0.2 2,-0.5 -0.910 64.9-144.8-118.2 141.0 -30.9 2.5 20.6 15 15 A I E -AB 10 31A 0 16,-2.9 16,-2.9 -2,-0.4 2,-0.6 -0.918 18.5-156.7 -92.1 126.5 -29.8 -0.0 23.1 16 16 A F E -AB 9 30A 35 -7,-2.7 -7,-1.9 -2,-0.5 2,-0.4 -0.947 17.4-177.1-103.5 120.7 -29.6 -3.4 21.5 17 17 A E E -AB 8 29A 0 12,-2.7 12,-2.4 -2,-0.6 2,-0.4 -0.970 21.9-164.7-125.0 130.5 -29.9 -6.2 24.0 18 18 A R E +AB 7 28A 2 -11,-2.0 -12,-3.3 -2,-0.4 -11,-1.7 -0.935 33.0 156.4-101.8 137.7 -29.7 -10.0 23.8 19 19 A Y E -AB 5 27A 16 8,-2.2 8,-3.0 -2,-0.4 2,-0.6 -0.960 47.4-108.2-154.1 165.5 -31.1 -11.6 26.9 20 20 A I E -AB 4 26A 2 -16,-3.0 -16,-1.6 -2,-0.3 6,-0.2 -0.928 41.9-143.3 -99.5 122.8 -32.7 -14.7 28.4 21 21 A D > - 0 0 4 4,-2.9 3,-2.1 -2,-0.6 -17,-0.1 -0.101 32.9 -85.6 -80.3-178.6 -36.3 -14.1 29.2 22 22 A S T 3 S+ 0 0 57 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.627 128.6 53.2 -66.0 -13.8 -38.4 -15.4 32.1 23 23 A N T 3 S- 0 0 115 2,-0.1 -1,-0.3 0, 0.0 -21,-0.1 0.325 121.6-104.6-101.2 4.9 -39.1 -18.6 30.3 24 24 A G S < S+ 0 0 10 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.655 76.3 136.8 81.5 17.7 -35.5 -19.3 29.6 25 25 A R - 0 0 163 1,-0.0 -4,-2.9 0, 0.0 2,-0.4 -0.734 57.8-117.0 -96.8 145.3 -35.6 -18.3 25.9 26 26 A E E +B 20 0A 69 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.682 42.9 172.6 -79.0 130.0 -33.0 -16.3 24.1 27 27 A R E -B 19 0A 126 -8,-3.0 -8,-2.2 -2,-0.4 2,-0.4 -0.874 23.2-147.9-131.9 162.5 -34.5 -13.0 22.9 28 28 A T E +B 18 0A 79 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.995 19.1 176.3-131.6 141.5 -33.3 -9.8 21.2 29 29 A R E -B 17 0A 70 -12,-2.4 -12,-2.7 -2,-0.4 2,-0.5 -0.992 24.8-143.6-143.0 152.1 -34.8 -6.3 21.6 30 30 A E E -B 16 0A 118 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.979 23.9-169.2-113.9 120.6 -34.1 -2.7 20.6 31 31 A V E -B 15 0A 45 -16,-2.9 -16,-2.9 -2,-0.5 2,-2.0 -0.942 25.4-140.5-118.0 129.3 -34.9 -0.2 23.2 32 32 A E - 0 0 162 -2,-0.5 2,-0.2 -18,-0.2 -18,-0.2 -0.523 37.1-164.3 -83.5 69.8 -35.1 3.6 22.7 33 33 A Y - 0 0 26 -2,-2.0 32,-0.3 1,-0.1 59,-0.1 -0.376 13.5-152.2 -67.6 125.8 -33.5 4.2 26.1 34 34 A K - 0 0 108 -2,-0.2 29,-0.1 30,-0.1 2,-0.1 -0.883 19.1-151.4 -99.3 108.7 -33.7 7.7 27.5 35 35 A P - 0 0 0 0, 0.0 27,-2.3 0, 0.0 2,-0.4 -0.400 0.8-142.4 -79.6 157.9 -30.7 8.3 29.7 36 36 A S E +C 61 0B 29 25,-0.2 2,-0.3 49,-0.1 49,-0.2 -0.945 18.9 175.6-115.1 143.0 -30.5 10.6 32.7 37 37 A L E -C 60 0B 2 23,-2.1 23,-3.5 -2,-0.4 2,-0.3 -0.783 19.7-127.5-131.4-179.0 -27.6 12.7 33.8 38 38 A F E -CD 59 83B 26 45,-2.4 45,-2.1 -2,-0.3 2,-0.3 -0.948 15.0-169.2-138.9 147.9 -27.3 15.2 36.6 39 39 A A E -C 58 0B 12 19,-1.8 19,-3.1 -2,-0.3 43,-0.1 -0.968 39.1 -98.6-128.7 151.6 -26.3 18.8 37.4 40 40 A H E -C 57 0B 80 41,-0.4 17,-0.3 -2,-0.3 10,-0.0 -0.376 45.8-167.5 -62.1 145.6 -25.8 20.4 40.8 41 41 A C - 0 0 18 15,-1.8 6,-0.0 4,-0.1 -1,-0.0 -0.858 28.9 -73.3-133.4 167.2 -28.8 22.5 41.9 42 42 A P > - 0 0 76 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.283 37.0-124.4 -62.4 149.1 -29.6 25.1 44.6 43 43 A E T 3 S+ 0 0 138 1,-0.3 14,-0.1 3,-0.0 -2,-0.0 0.738 111.4 62.3 -64.5 -24.7 -29.9 23.9 48.2 44 44 A S T 3 S+ 0 0 118 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.586 84.6 94.9 -76.4 -12.4 -33.4 25.4 48.3 45 45 A Q S < S- 0 0 84 -3,-1.6 2,-0.4 1,-0.0 -4,-0.1 -0.739 79.9-126.7 -87.7 122.3 -34.5 23.0 45.5 46 46 A A + 0 0 103 -2,-0.5 2,-0.3 10,-0.0 -2,-0.1 -0.523 45.8 149.8 -71.3 123.0 -36.2 19.9 46.8 47 47 A T - 0 0 40 -2,-0.4 11,-0.1 11,-0.1 -6,-0.0 -0.972 47.8-148.4-148.2 159.7 -34.6 16.7 45.4 48 48 A K S S+ 0 0 127 -2,-0.3 2,-0.5 9,-0.1 10,-0.1 0.435 78.3 89.3-105.0 -4.6 -34.0 13.1 46.3 49 49 A Y + 0 0 40 8,-0.5 8,-2.6 329,-0.0 2,-0.3 -0.819 51.1 171.4 -99.5 129.7 -30.7 13.0 44.3 50 50 A F E -Ef 56 378C 75 327,-1.3 329,-2.1 -2,-0.5 -10,-0.0 -0.980 30.1-120.8-133.6 145.0 -27.4 13.9 46.0 51 51 A D E > - f 0 379C 8 4,-3.0 3,-2.1 -2,-0.3 329,-0.2 -0.197 46.7 -89.5 -73.5 176.9 -23.8 13.6 44.9 52 52 A I T 3 S+ 0 0 4 327,-0.8 -1,-0.1 1,-0.3 328,-0.1 0.696 129.0 54.7 -68.1 -16.3 -21.3 11.5 46.9 53 53 A Y T 3 S- 0 0 137 2,-0.1 -1,-0.3 376,-0.0 -2,-0.0 0.335 122.5-104.0 -94.9 3.9 -20.4 14.6 49.0 54 54 A G S < S+ 0 0 45 -3,-2.1 -2,-0.1 1,-0.3 -5,-0.0 0.566 73.2 142.9 84.9 10.5 -24.1 15.2 49.9 55 55 A K - 0 0 119 1,-0.1 -4,-3.0 -15,-0.0 -1,-0.3 -0.695 55.1-109.1 -84.8 135.3 -24.6 18.2 47.5 56 56 A P B -E 50 0C 6 0, 0.0 -15,-1.8 0, 0.0 2,-0.3 -0.294 35.6-165.8 -70.0 148.2 -28.1 18.2 45.9 57 57 A C E -C 40 0B 0 -8,-2.6 -8,-0.5 -17,-0.3 2,-0.4 -0.962 16.1-136.1-132.4 148.5 -28.5 17.4 42.2 58 58 A T E -C 39 0B 37 -19,-3.1 -19,-1.8 -2,-0.3 2,-0.4 -0.868 24.8-127.9-101.8 138.5 -31.2 17.8 39.6 59 59 A R E -C 38 0B 114 -2,-0.4 2,-0.5 -21,-0.2 -21,-0.2 -0.718 17.5-157.8 -86.1 133.1 -32.0 14.9 37.3 60 60 A K E -C 37 0B 80 -23,-3.5 -23,-2.1 -2,-0.4 2,-0.5 -0.957 3.2-158.4-113.3 118.3 -32.0 15.7 33.5 61 61 A L E -C 36 0B 90 -2,-0.5 2,-0.3 -25,-0.2 -25,-0.2 -0.848 12.3-150.6 -99.4 125.9 -33.9 13.3 31.3 62 62 A F - 0 0 22 -27,-2.3 3,-0.1 -2,-0.5 4,-0.0 -0.689 21.2-130.7-101.0 149.4 -32.9 13.3 27.7 63 63 A A S S- 0 0 64 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.766 91.1 -11.5 -62.9 -26.5 -35.0 12.6 24.6 64 64 A N S > S- 0 0 40 -29,-0.1 4,-1.6 1,-0.1 -1,-0.1 -0.970 74.7 -94.2-166.5 171.0 -32.2 10.2 23.4 65 65 A M H > S+ 0 0 0 -32,-0.3 4,-2.4 -2,-0.3 5,-0.1 0.831 118.6 56.1 -69.4 -33.5 -28.6 9.2 24.1 66 66 A R H > S+ 0 0 142 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.915 105.8 52.3 -64.0 -41.5 -27.1 11.5 21.5 67 67 A D H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.904 109.8 49.2 -58.1 -44.3 -28.8 14.5 23.3 68 68 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.914 111.4 48.7 -62.2 -45.0 -27.2 13.4 26.6 69 69 A S H X S+ 0 0 45 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.890 111.3 50.3 -60.8 -41.3 -23.8 13.0 24.9 70 70 A Q H X S+ 0 0 92 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.841 107.4 54.4 -63.7 -38.0 -24.2 16.5 23.4 71 71 A W H X S+ 0 0 26 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.900 103.9 54.3 -66.1 -41.6 -25.2 18.0 26.8 72 72 A I H X S+ 0 0 31 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.931 108.9 49.7 -54.6 -49.2 -22.0 16.6 28.4 73 73 A K H X S+ 0 0 134 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.915 111.0 48.0 -56.2 -49.3 -19.9 18.4 25.7 74 74 A R H X S+ 0 0 123 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.882 107.5 56.3 -62.4 -37.6 -21.7 21.7 26.3 75 75 A M H X>S+ 0 0 15 -4,-2.6 5,-2.7 2,-0.2 4,-2.5 0.897 108.3 47.8 -60.9 -39.3 -21.2 21.3 30.0 76 76 A E H <5S+ 0 0 146 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.921 109.8 53.1 -62.3 -45.8 -17.5 21.1 29.4 77 77 A D H <5S+ 0 0 130 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.873 114.4 41.9 -54.6 -41.3 -17.8 24.1 27.1 78 78 A I H <5S- 0 0 119 -4,-2.4 -2,-0.2 2,-0.1 -1,-0.2 0.851 114.8-117.6 -76.3 -36.7 -19.4 26.0 30.0 79 79 A G T <5 + 0 0 62 -4,-2.5 2,-0.4 1,-0.3 -3,-0.2 0.737 68.1 128.8 101.9 33.1 -17.1 24.6 32.6 80 80 A L < - 0 0 100 -5,-2.7 -1,-0.3 -6,-0.1 2,-0.2 -0.927 63.2-102.5-123.2 145.9 -19.5 22.7 34.8 81 81 A E - 0 0 35 -2,-0.4 2,-0.7 1,-0.1 -41,-0.4 -0.441 23.9-155.1 -66.6 128.4 -19.6 19.2 36.1 82 82 A A - 0 0 6 -2,-0.2 -43,-0.2 -43,-0.1 2,-0.1 -0.925 23.3-160.1-103.2 103.4 -21.9 16.8 34.2 83 83 A L B +D 38 0B 1 -45,-2.1 -45,-2.4 -2,-0.7 2,-0.1 -0.413 37.3 52.0 -88.1 159.2 -22.6 14.1 36.8 84 84 A G S S- 0 0 5 296,-2.1 2,-0.8 -47,-0.2 -47,-0.1 -0.367 93.7 -36.5 109.6 173.4 -23.9 10.5 36.3 85 85 A M - 0 0 5 -49,-0.2 6,-0.1 1,-0.2 -49,-0.1 -0.604 46.7-176.3 -77.1 107.6 -23.1 7.4 34.4 86 86 A D + 0 0 84 -2,-0.8 2,-1.2 1,-0.1 -1,-0.2 0.618 69.1 81.0 -83.4 -16.8 -21.9 8.5 30.9 87 87 A D S >> S- 0 0 24 1,-0.2 4,-1.3 -3,-0.0 3,-1.2 -0.784 71.1-166.5 -86.2 94.1 -21.7 4.9 29.6 88 88 A F H 3> S+ 0 0 2 -2,-1.2 4,-2.8 1,-0.3 -1,-0.2 0.755 78.8 60.8 -63.9 -28.3 -25.4 4.6 28.9 89 89 A K H 3> S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.864 103.3 52.1 -68.3 -30.9 -25.4 0.9 28.4 90 90 A L H <> S+ 0 0 3 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.871 111.2 47.7 -66.3 -37.4 -24.2 0.5 32.0 91 91 A A H X S+ 0 0 10 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.896 110.3 52.4 -67.9 -41.2 -27.1 2.7 33.1 92 92 A Y H X S+ 0 0 7 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.934 110.4 47.2 -57.9 -48.1 -29.5 0.7 30.9 93 93 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.885 110.4 53.2 -61.7 -38.5 -28.3 -2.6 32.6 94 94 A S H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.874 114.2 41.5 -65.1 -38.8 -28.7 -0.9 36.1 95 95 A D H < S+ 0 0 86 -4,-2.1 3,-0.5 1,-0.1 -2,-0.2 0.834 119.3 43.8 -72.5 -38.4 -32.3 0.1 35.3 96 96 A T H < S+ 0 0 45 -4,-2.4 2,-0.3 1,-0.2 -2,-0.2 0.790 121.9 36.6 -83.3 -30.7 -33.3 -3.2 33.6 97 97 A Y < + 0 0 1 -4,-2.5 2,-1.7 -5,-0.2 -1,-0.2 -0.575 66.9 163.2-123.0 66.1 -31.6 -5.6 36.1 98 98 A N + 0 0 84 -3,-0.5 2,-0.3 -2,-0.3 -4,-0.1 -0.349 57.5 61.7 -84.9 56.1 -32.2 -3.8 39.4 99 99 A Y S S- 0 0 62 -2,-1.7 2,-0.5 -5,-0.0 -3,-0.0 -0.953 103.5 -69.5-163.1 166.5 -31.5 -7.0 41.5 100 100 A E - 0 0 167 -2,-0.3 2,-0.3 1,-0.1 250,-0.1 -0.580 61.0-121.3 -65.4 118.4 -28.6 -9.4 42.1 101 101 A I - 0 0 20 -2,-0.5 2,-0.6 248,-0.4 -97,-0.1 -0.486 25.0-166.7 -70.3 126.2 -28.3 -11.2 38.8 102 102 A K - 0 0 162 -2,-0.3 2,-0.3 -99,-0.2 -100,-0.1 -0.979 17.2-169.8-107.0 113.6 -28.8 -15.0 39.0 103 103 A Y - 0 0 33 -2,-0.6 2,-0.6 -99,-0.0 3,-0.1 -0.741 21.1-142.8-106.7 157.4 -27.6 -16.4 35.7 104 104 A D > - 0 0 53 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.944 7.1-162.2-119.1 104.4 -27.9 -19.9 34.2 105 105 A H G > S+ 0 0 118 -2,-0.6 3,-1.3 1,-0.3 -1,-0.1 0.759 85.6 69.0 -59.1 -27.0 -24.8 -20.8 32.3 106 106 A T G 3 S+ 0 0 81 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.696 99.2 50.4 -66.9 -18.8 -26.6 -23.6 30.4 107 107 A K G < S+ 0 0 68 -3,-1.8 2,-0.6 2,-0.1 -1,-0.3 0.489 91.3 93.6 -93.4 -8.6 -28.6 -21.0 28.5 108 108 A I S < S- 0 0 0 -3,-1.3 2,-1.0 -4,-0.3 33,-0.0 -0.785 75.5-135.0 -92.2 119.5 -25.5 -19.0 27.5 109 109 A R - 0 0 37 -2,-0.6 102,-2.8 100,-0.2 103,-1.8 -0.633 24.5-174.4 -77.7 105.8 -24.2 -19.9 24.1 110 110 A V E -g 212 0D 17 -2,-1.0 31,-2.1 101,-0.2 2,-0.5 -0.905 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-3,-0.3 3,-0.6 1,-0.2 4,-0.3 0.940 74.9 50.0 -57.4 -46.2 13.3 -4.8 16.8 789 789 A A G >4 S+ 0 0 83 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.823 101.9 61.5 -62.2 -37.7 13.1 -2.1 14.1 790 790 A K G 34 S+ 0 0 136 1,-0.2 -1,-0.2 3,-0.0 -2,-0.2 0.864 111.2 38.5 -56.3 -40.0 14.7 0.6 16.4 791 791 A Y G << S+ 0 0 55 -4,-1.2 7,-2.3 -3,-0.6 2,-0.8 0.344 92.3 103.1 -97.8 3.6 17.9 -1.3 16.7 792 792 A D E < +Z 797 0K 62 -3,-0.9 2,-0.6 -4,-0.3 14,-0.0 -0.816 42.1 175.0 -94.6 108.8 18.1 -2.6 13.1 793 793 A V E > S-Z 796 0K 90 3,-3.0 3,-1.6 -2,-0.8 -3,-0.0 -0.894 79.2 -35.0-115.7 97.0 20.6 -0.6 11.0 794 794 A G T 3 S- 0 0 75 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.827 121.9 -49.5 57.8 35.5 20.8 -2.3 7.6 795 795 A G T 3 S+ 0 0 20 1,-0.3 -1,-0.3 17,-0.0 18,-0.2 0.354 123.9 97.9 89.1 -4.3 20.3 -5.7 9.2 796 796 A F E < S-Z 793 0K 116 -3,-1.6 -3,-3.0 1,-0.0 -1,-0.3 -0.808 84.5 -83.8-118.2 156.0 23.0 -5.1 11.8 797 797 A P E -Z 792 0K 31 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.353 41.1-151.7 -62.6 128.7 22.9 -4.0 15.5 798 798 A G > 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-4,-1.5 4,-3.0 38,-0.2 -2,-0.2 0.908 109.2 51.1 -67.1 -42.7 17.0 -11.7 16.2 809 809 A L H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.901 109.8 51.0 -61.8 -39.8 19.0 -9.6 13.7 810 810 A T H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.938 111.2 47.9 -59.9 -49.0 21.4 -12.5 13.3 811 811 A Y H X S+ 0 0 1 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.931 108.6 55.0 -54.8 -49.7 18.5 -14.8 12.7 812 812 A N H < S+ 0 0 47 -4,-3.0 4,-0.5 1,-0.2 -1,-0.2 0.840 108.9 46.5 -56.8 -39.4 17.0 -12.3 10.2 813 813 A R H < S+ 0 0 55 -4,-1.9 3,-0.5 -18,-0.2 -1,-0.2 0.871 110.7 53.9 -67.7 -39.0 20.2 -12.2 8.1 814 814 A A H < S+ 0 0 35 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.761 117.1 35.6 -69.7 -27.8 20.5 -16.0 8.1 815 815 A I S >< S+ 0 0 5 -4,-1.7 3,-1.9 -5,-0.1 -1,-0.2 0.373 85.5 142.5-105.0 1.3 17.0 -16.6 6.8 816 816 A K T 3 + 0 0 174 -3,-0.5 3,-0.1 -4,-0.5 -3,-0.1 -0.101 68.7 18.3 -48.7 134.5 16.9 -13.5 4.4 817 817 A G T 3 S+ 0 0 63 1,-0.2 2,-0.7 4,-0.0 -1,-0.2 -0.024 92.5 116.3 94.5 -30.0 15.1 -14.1 1.1 818 818 A N < - 0 0 64 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-3,-2.3 -43,-2.0 -43,-0.3 -1,-0.3 -0.285 75.7 -87.4 -94.1-177.0 6.5 -11.8 21.3 829 829 A K E -X 784 0J 27 -45,-0.2 21,-2.5 -3,-0.1 2,-0.3 -0.687 34.6-165.7-100.8 148.1 9.1 -14.1 22.9 830 830 A V E -XY 783 849J 1 -47,-2.7 -47,-2.0 -2,-0.3 2,-0.3 -0.935 21.3-126.2-124.3 150.0 12.3 -15.6 21.4 831 831 A Y E -XY 782 848J 13 17,-2.7 17,-1.8 -2,-0.3 2,-0.4 -0.718 32.0-156.2 -81.1 148.8 14.7 -18.4 22.4 832 832 A V E -XY 781 847J 8 -51,-2.2 -51,-2.5 -2,-0.3 15,-0.2 -0.997 14.8-179.9-134.9 130.9 18.3 -17.1 22.5 833 833 A L E - Y 0 846J 0 13,-2.7 13,-2.5 -2,-0.4 2,-0.2 -0.995 26.1-124.7-128.8 138.4 21.6 -19.0 22.2 834 834 A P E - Y 0 845J 12 0, 0.0 33,-2.5 0, 0.0 2,-0.4 -0.516 25.4-143.3 -75.0 150.4 25.2 -17.7 22.3 835 835 A L B -A 866 0L 7 9,-2.7 31,-0.2 31,-0.2 3,-0.1 -0.908 16.0-112.7-117.1 143.5 27.4 -18.5 19.3 836 836 A R > - 0 0 86 29,-2.7 3,-1.5 -2,-0.4 7,-0.1 -0.373 45.1 -81.1 -74.0 152.5 31.1 -19.4 19.4 837 837 A E T 3 S+ 0 0 187 1,-0.2 -1,-0.1 -2,-0.1 7,-0.0 -0.230 116.1 23.0 -48.1 129.7 33.9 -17.1 18.0 838 838 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.554 83.0 154.7 87.5 10.2 34.2 -17.6 14.2 839 839 A N X - 0 0 15 -3,-1.5 3,-1.4 4,-0.1 -1,-0.2 -0.305 54.4-116.7 -67.0 153.8 30.6 -18.9 13.5 840 840 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 21,-0.0 0.528 107.4 72.6 -72.7 -5.7 29.1 -18.5 10.0 841 841 A F T 3 S- 0 0 20 2,-0.2 -28,-0.1 20,-0.1 -27,-0.1 0.562 99.0-132.6 -83.9 -10.5 26.3 -16.3 11.4 842 842 A G S < S+ 0 0 63 -3,-1.4 2,-0.3 1,-0.2 -5,-0.0 0.625 71.3 74.8 71.2 17.2 28.8 -13.4 11.9 843 843 A D S S- 0 0 26 -7,-0.1 -2,-0.2 -36,-0.0 -1,-0.2 -0.974 85.2-106.4-155.9 169.2 27.7 -12.6 15.5 844 844 A K S S+ 0 0 113 -2,-0.3 -9,-2.7 -10,-0.1 2,-0.3 0.438 93.8 18.7 -82.5 -2.3 27.8 -13.7 19.1 845 845 A C E -Y 834 0J 0 -11,-0.3 2,-0.3 -39,-0.1 -35,-0.2 -0.992 56.4-151.7-161.2 160.9 24.2 -14.9 19.4 846 846 A I E -Y 833 0J 0 -13,-2.5 -13,-2.7 -2,-0.3 2,-0.3 -0.979 10.3-167.1-137.7 149.3 21.1 -16.1 17.6 847 847 A A E +Y 832 0J 0 -40,-1.9 -15,-0.2 -2,-0.3 -36,-0.2 -0.988 7.5 174.3-137.8 145.8 17.4 -15.9 18.5 848 848 A W E -Y 831 0J 1 -17,-1.8 -17,-2.7 -2,-0.3 4,-0.1 -0.932 48.0 -60.0-146.0 166.8 14.3 -17.5 17.1 849 849 A P E > -Y 830 0J 22 0, 0.0 3,-0.9 0, 0.0 -19,-0.3 -0.222 59.6-117.1 -56.3 132.5 10.5 -17.7 17.9 850 850 A S T 3 S+ 0 0 16 -21,-2.5 -562,-0.1 1,-0.2 3,-0.1 -0.247 95.1 32.0 -67.3 157.1 10.0 -19.3 21.3 851 851 A G T 3 S+ 0 0 21 1,-0.2 2,-0.3 -564,-0.1 -1,-0.2 0.579 106.6 94.6 70.6 10.8 8.0 -22.6 21.6 852 852 A T S < S- 0 0 55 -3,-0.9 2,-0.3 -4,-0.1 -1,-0.2 -0.923 78.6-112.9-130.5 155.1 9.4 -23.6 18.2 853 853 A E - 0 0 80 -2,-0.3 3,-0.1 -3,-0.1 2,-0.1 -0.658 48.9-103.0 -73.6 139.4 12.2 -25.7 16.8 854 854 A I - 0 0 3 -2,-0.3 5,-0.1 1,-0.1 -1,-0.1 -0.421 52.5 -84.3 -65.0 142.6 14.6 -23.4 14.8 855 855 A T >> - 0 0 24 1,-0.1 3,-1.8 -33,-0.1 4,-1.5 -0.149 32.2-122.2 -51.6 141.5 14.1 -23.8 11.1 856 856 A D T 34 S+ 0 0 135 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.686 105.0 78.9 -61.3 -18.8 15.9 -26.7 9.4 857 857 A L T 34 S+ 0 0 84 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.836 117.6 7.7 -53.0 -37.6 17.6 -24.1 7.1 858 858 A I T <> S+ 0 0 11 -3,-1.8 4,-2.6 2,-0.1 3,-0.2 0.433 98.6 102.7-129.4 -3.9 20.0 -23.3 10.0 859 859 A K H X S+ 0 0 44 -4,-1.5 4,-2.8 1,-0.2 5,-0.2 0.879 83.3 51.1 -53.2 -48.4 19.4 -25.8 12.8 860 860 A D H > S+ 0 0 124 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.897 113.2 45.4 -58.9 -43.9 22.5 -27.9 12.1 861 861 A D H > S+ 0 0 76 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.883 111.5 52.0 -67.7 -40.4 24.8 -24.8 12.1 862 862 A V H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.960 112.2 46.8 -59.2 -49.5 23.2 -23.4 15.2 863 863 A L H < S+ 0 0 58 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.879 112.9 49.5 -58.6 -41.2 23.8 -26.8 17.0 864 864 A H H < S+ 0 0 116 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.838 119.3 36.5 -67.3 -33.4 27.4 -27.0 15.7 865 865 A W H < S+ 0 0 57 -4,-2.0 -29,-2.7 -3,-0.2 -2,-0.2 0.429 80.5 132.3-106.6 -1.7 28.3 -23.4 16.8 866 866 A M B < -A 835 0L 1 -4,-1.4 2,-1.3 -3,-0.2 -31,-0.2 -0.258 57.8-130.1 -49.5 130.2 26.3 -23.2 20.1 867 867 A D > + 0 0 26 -33,-2.5 4,-2.3 1,-0.2 5,-0.1 -0.677 32.7 172.2 -93.3 88.2 28.5 -21.8 22.9 868 868 A Y H > S+ 0 0 39 -2,-1.3 4,-2.6 1,-0.2 5,-0.2 0.849 76.2 56.8 -59.5 -39.5 28.0 -24.3 25.7 869 869 A T H > S+ 0 0 86 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.935 111.3 41.3 -61.6 -47.1 30.7 -22.7 27.8 870 870 A V H > S+ 0 0 48 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.919 113.5 54.4 -65.8 -44.9 29.1 -19.2 27.8 871 871 A L H X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 5,-0.5 0.932 111.1 45.0 -52.8 -51.6 25.6 -20.7 28.3 872 872 A L H X>S+ 0 0 13 -4,-2.6 5,-2.7 1,-0.2 4,-1.6 0.904 114.8 47.7 -62.0 -45.7 26.8 -22.6 31.4 873 873 A E H <>S+ 0 0 102 -4,-2.1 5,-2.7 -5,-0.2 -2,-0.2 0.943 118.5 38.9 -62.0 -49.2 28.6 -19.6 32.9 874 874 A K H <5S+ 0 0 97 -4,-3.0 -2,-0.2 3,-0.2 -3,-0.2 0.905 126.9 28.7 -71.8 -45.5 25.8 -17.1 32.3 875 875 A T H <5S+ 0 0 17 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.2 0.729 135.1 17.1 -93.5 -25.0 22.7 -19.1 33.1 876 876 A F T X5S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.5 -3,-0.2 0.809 122.9 40.8-114.4 -60.2 24.0 -21.6 35.7 877 877 A I H > S+ 0 0 10 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.909 115.3 51.3 -64.1 -40.1 23.4 -17.6 39.6 880 880 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.900 106.2 53.6 -63.1 -41.5 24.7 -20.6 41.6 881 881 A E H X S+ 0 0 92 -4,-3.1 4,-2.1 1,-0.2 5,-0.2 0.869 108.2 52.9 -59.8 -36.5 27.7 -18.6 42.8 882 882 A G H X S+ 0 0 25 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.925 111.5 44.4 -59.4 -48.1 25.2 -16.0 43.9 883 883 A F H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.929 117.2 44.2 -63.6 -48.1 23.2 -18.6 45.9 884 884 A T H X>S+ 0 0 2 -4,-2.9 5,-2.6 2,-0.2 4,-0.6 0.858 111.3 51.1 -72.5 -37.6 26.3 -20.2 47.5 885 885 A S H <5S+ 0 0 66 -4,-2.1 3,-0.5 -5,-0.3 -1,-0.2 0.895 112.7 48.1 -66.2 -37.9 28.1 -17.1 48.4 886 886 A A H <5S+ 0 0 9 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.920 114.6 45.3 -63.7 -43.1 25.0 -15.8 50.1 887 887 A A H <5S- 0 0 0 -4,-2.1 -1,-0.2 -485,-0.2 -2,-0.2 0.484 112.3-123.0 -81.0 -3.4 24.6 -19.1 51.9 888 888 A K T <5S+ 0 0 138 -4,-0.6 2,-0.3 -3,-0.5 -3,-0.2 0.889 71.4 112.8 61.2 43.9 28.3 -19.2 52.8 889 889 A L < - 0 0 5 -5,-2.6 2,-0.4 -6,-0.1 -1,-0.2 -0.899 62.6-116.9-136.1 170.4 29.1 -22.5 51.2 890 890 A D - 0 0 78 -2,-0.3 -129,-0.2 1,-0.1 -130,-0.1 -0.904 3.7-158.5-113.8 135.6 31.1 -23.7 48.2 891 891 A Y S S+ 0 0 40 -2,-0.4 2,-0.4 1,-0.1 -126,-0.2 0.573 88.6 52.0 -84.2 -9.8 29.8 -25.5 45.1 892 892 A E S S- 0 0 107 -128,-0.1 2,-0.3 -127,-0.0 -1,-0.1 -0.989 98.8-105.9-125.7 137.3 33.3 -26.9 44.5 893 893 A K - 0 0 144 -2,-0.4 2,-0.1 -132,-0.1 3,-0.1 -0.433 34.1-135.7 -66.4 122.3 35.3 -28.8 47.2 894 894 A K - 0 0 154 -2,-0.3 -1,-0.1 1,-0.1 -4,-0.0 -0.473 29.3 -95.3 -74.8 147.5 38.2 -26.7 48.6 895 895 A A - 0 0 88 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.313 48.1-176.7 -61.5 144.2 41.6 -28.2 49.1 896 896 A S > - 0 0 54 -3,-0.1 3,-1.0 1,-0.0 4,-0.1 -0.867 42.0 -99.6-137.3 172.8 42.4 -29.6 52.5 897 897 A L G > S+ 0 0 150 -2,-0.3 3,-1.2 1,-0.2 -2,-0.0 0.714 112.8 70.0 -66.5 -21.9 45.3 -31.2 54.5 898 898 A F G > S+ 0 0 165 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 0.746 76.5 79.4 -69.4 -25.2 43.8 -34.7 54.0 899 899 A D G < S+ 0 0 107 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.616 78.5 74.9 -56.2 -13.3 44.6 -34.6 50.2 900 900 A M G < 0 0 162 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.344 360.0 360.0 -83.9 5.9 48.2 -35.5 51.3 901 901 A F < 0 0 221 -3,-1.8 -2,-0.2 0, 0.0 -1,-0.2 0.713 360.0 360.0-115.1 360.0 47.1 -39.1 52.0