==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-OCT-09 3K5O . COMPND 2 MOLECULE: DNA POLYMERASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.YANG,F.WANG . 1502 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 68943.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1042 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 252 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 81 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 495 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 39 2.6 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 0 1 3 4 6 6 1 3 2 4 1 7 0 2 1 0 0 0 2 0 4 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 2 0 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 . 9 1 5 6 3 10 7 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 2 5 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 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 2 A A 0 0 87 0, 0.0 2,-0.3 0, 0.0 125,-0.2 0.000 360.0 360.0 360.0 124.0 3.6 36.6 -60.1 2 3 A Q E -A 125 0A 55 123,-2.6 123,-2.6 24,-0.0 2,-0.3 -0.778 360.0-132.7-104.7 144.9 4.0 38.5 -56.9 3 4 A A E +A 124 0A 26 -2,-0.3 24,-0.4 121,-0.2 2,-0.3 -0.708 41.2 160.6 -87.4 140.9 3.4 37.3 -53.4 4 5 A G E -A 123 0A 0 119,-2.7 119,-3.3 -2,-0.3 2,-0.5 -0.983 37.2-133.8-157.2 165.8 1.3 39.8 -51.4 5 6 A F E -AB 122 25A 0 20,-1.9 20,-2.9 -2,-0.3 2,-0.2 -0.985 30.5-123.0-129.1 119.9 -0.9 40.2 -48.4 6 7 A I E + B 0 24A 0 115,-1.9 18,-0.2 -2,-0.5 3,-0.1 -0.405 32.9 168.5 -66.2 132.7 -4.2 42.1 -48.7 7 8 A L E + 0 0 5 16,-3.0 2,-0.3 1,-0.4 343,-0.3 0.769 66.1 14.0-107.6 -48.0 -4.6 45.1 -46.5 8 9 A T E - B 0 23A 3 15,-1.3 15,-2.0 341,-0.1 -1,-0.4 -0.970 60.1-150.2-136.5 152.1 -7.7 46.8 -47.9 9 10 A R E + B 0 22A 22 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.926 20.2 177.5-120.0 142.2 -10.5 45.9 -50.3 10 11 A H E + B 0 21A 27 11,-2.4 11,-2.0 -2,-0.4 2,-0.3 -0.973 14.0 179.5-145.6 159.6 -12.5 48.2 -52.6 11 12 A W E + B 0 20A 62 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.980 3.9 173.0-155.4 148.8 -15.2 48.5 -55.2 12 13 A R E - B 0 19A 145 7,-1.3 7,-3.4 -2,-0.3 2,-0.3 -0.946 31.4-119.1-157.5 138.4 -16.8 51.3 -57.2 13 14 A D + 0 0 49 -2,-0.3 5,-0.2 5,-0.3 71,-0.1 -0.612 35.2 179.7 -81.4 139.9 -19.2 51.3 -60.0 14 15 A T > - 0 0 31 69,-0.3 3,-2.7 -2,-0.3 -2,-0.0 -0.892 48.2-101.6-135.1 165.1 -18.1 52.9 -63.3 15 16 A P T 3 S+ 0 0 145 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.703 127.3 54.9 -60.0 -12.8 -19.6 53.4 -66.7 16 17 A Q T 3 S- 0 0 156 1,-0.4 2,-0.2 67,-0.0 68,-0.0 0.443 125.8 -91.3 -98.2 -1.8 -17.4 50.4 -67.5 17 18 A G S < S- 0 0 4 -3,-2.7 -1,-0.4 20,-0.1 -3,-0.2 -0.422 71.2 -26.6 111.4 169.0 -18.8 48.2 -64.8 18 19 A T B -F 38 0B 0 65,-1.1 20,-2.6 20,-0.8 2,-0.6 -0.329 56.0-148.1 -61.8 127.1 -17.8 47.6 -61.2 19 20 A E E -B 12 0A 34 -7,-3.4 -7,-1.3 18,-0.2 2,-0.5 -0.867 14.0-169.0 -97.6 116.0 -14.1 48.2 -60.5 20 21 A V E +B 11 0A 0 -2,-0.6 15,-2.9 16,-0.2 2,-0.3 -0.911 12.5 171.0-108.2 130.9 -12.7 45.9 -57.8 21 22 A S E -BC 10 34A 0 -11,-2.0 -11,-2.4 -2,-0.5 2,-0.3 -0.957 18.0-159.8-139.4 158.8 -9.3 46.6 -56.4 22 23 A F E -BC 9 33A 0 11,-3.0 11,-2.9 -2,-0.3 2,-0.6 -0.986 13.5-142.0-137.1 145.2 -7.0 45.5 -53.5 23 24 A W E -BC 8 32A 23 -15,-2.0 -16,-3.0 -2,-0.3 -15,-1.3 -0.956 26.9-163.4-109.5 120.9 -4.1 47.1 -51.8 24 25 A L E -BC 6 31A 1 7,-3.2 7,-2.3 -2,-0.6 2,-0.6 -0.776 19.9-136.4-106.7 149.6 -1.4 44.6 -51.0 25 26 A A E +BC 5 30A 0 -20,-2.9 -20,-1.9 -2,-0.3 2,-0.3 -0.909 40.3 170.5-100.0 124.6 1.6 44.7 -48.6 26 27 A T E > - C 0 29A 5 3,-1.2 3,-1.9 -2,-0.6 -22,-0.1 -0.820 50.9 -98.5-131.7 173.6 4.5 43.2 -50.5 27 28 A D T 3 S+ 0 0 119 -24,-0.4 -23,-0.1 1,-0.3 -1,-0.0 0.737 126.5 47.2 -63.7 -23.8 8.3 42.7 -50.2 28 29 A N T 3 S- 0 0 146 1,-0.4 -1,-0.3 0, 0.0 -3,-0.0 0.174 124.8-101.2-103.3 17.4 8.7 45.6 -52.5 29 30 A G E < S-C 26 0A 24 -3,-1.9 -3,-1.2 119,-0.1 -1,-0.4 -0.581 73.7 -2.1 99.9-163.9 6.2 47.8 -50.6 30 31 A P E -C 25 0A 49 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.365 59.2-169.9 -67.5 140.5 2.6 48.6 -51.3 31 32 A L E -C 24 0A 10 -7,-2.3 -7,-3.2 -2,-0.1 2,-0.4 -0.987 12.5-148.5-136.0 122.9 1.0 47.3 -54.5 32 33 A Q E -C 23 0A 32 100,-0.5 102,-2.7 -2,-0.4 2,-0.4 -0.777 18.9-172.9 -90.5 134.8 -2.3 48.3 -55.9 33 34 A V E -Cd 22 134A 0 -11,-2.9 -11,-3.0 -2,-0.4 2,-0.4 -0.990 2.4-172.9-129.9 134.9 -4.1 45.6 -57.8 34 35 A T E -Cd 21 135A 25 100,-3.0 103,-2.1 -2,-0.4 102,-0.6 -0.981 12.0-138.8-133.6 146.6 -7.3 45.9 -59.9 35 36 A L - 0 0 11 -15,-2.9 -15,-0.2 -2,-0.4 3,-0.1 -0.467 31.8 -93.7 -94.9 166.6 -9.6 43.4 -61.7 36 37 A A S S- 0 0 43 101,-0.4 -16,-0.2 1,-0.2 -1,-0.1 -0.389 74.7 -62.8 -69.9 158.4 -11.4 43.5 -65.0 37 38 A P - 0 0 75 0, 0.0 2,-0.5 0, 0.0 -18,-0.2 -0.185 58.4-143.6 -49.7 127.9 -15.0 44.9 -64.5 38 39 A Q B -F 18 0B 59 -20,-2.6 -20,-0.8 -3,-0.1 2,-0.3 -0.838 1.4-144.9-103.0 131.1 -17.0 42.6 -62.3 39 40 A E - 0 0 62 -2,-0.5 2,-0.3 -22,-0.1 44,-0.2 -0.679 23.1-132.3 -87.0 141.9 -20.7 41.9 -62.8 40 41 A S E -G 82 0C 7 42,-2.7 42,-1.8 -2,-0.3 2,-0.4 -0.702 22.8-165.2 -97.0 152.2 -22.6 41.5 -59.6 41 42 A V E +G 81 0C 24 -2,-0.3 2,-0.3 40,-0.2 40,-0.2 -0.998 16.7 171.7-144.2 144.4 -25.1 38.7 -58.9 42 43 A A E -G 80 0C 0 38,-1.1 38,-3.3 -2,-0.4 2,-0.4 -0.851 30.7-116.1-135.3 168.2 -27.8 37.8 -56.5 43 44 A F E -GH 79 103C 11 60,-2.5 60,-3.2 -2,-0.3 36,-0.2 -0.884 22.1-174.9-122.9 149.3 -30.2 34.8 -56.6 44 45 A I E -G 78 0C 0 34,-2.5 34,-2.8 -2,-0.4 58,-0.1 -0.993 35.8-103.4-137.3 138.9 -33.9 34.3 -57.0 45 46 A P E > -G 77 0C 5 0, 0.0 3,-1.1 0, 0.0 32,-0.3 -0.327 32.0-128.1 -58.4 144.1 -36.1 31.2 -56.9 46 47 A A G > S+ 0 0 27 30,-2.9 3,-2.7 1,-0.3 31,-0.1 0.934 107.1 59.6 -59.3 -49.0 -37.2 30.3 -60.4 47 48 A D G 3 S+ 0 0 133 29,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.656 104.6 55.3 -57.9 -11.1 -40.9 30.1 -59.6 48 49 A Q G <> S+ 0 0 41 -3,-1.1 4,-1.8 1,-0.1 -1,-0.3 0.349 75.9 97.2-104.2 6.7 -40.5 33.8 -58.6 49 50 A V H <> S+ 0 0 14 -3,-2.7 4,-2.8 1,-0.2 5,-0.2 0.897 79.0 55.8 -63.6 -42.8 -39.1 35.2 -61.8 50 51 A P H > S+ 0 0 94 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.932 109.2 47.2 -55.9 -46.2 -42.4 36.5 -63.2 51 52 A R H > S+ 0 0 123 -4,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.911 112.5 50.7 -61.8 -40.9 -43.0 38.5 -60.1 52 53 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.884 107.2 53.0 -64.7 -40.4 -39.5 39.8 -60.3 53 54 A Q H X S+ 0 0 87 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.911 109.2 49.7 -62.3 -41.5 -39.8 40.8 -63.9 54 55 A H H >< S+ 0 0 106 -4,-2.1 3,-1.0 1,-0.2 4,-0.4 0.933 109.7 50.9 -62.6 -45.8 -43.0 42.8 -63.1 55 56 A I H 3< S+ 0 0 27 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.850 120.3 35.0 -60.8 -34.5 -41.2 44.6 -60.3 56 57 A L H >< S+ 0 0 1 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.292 82.4 110.2-103.4 9.6 -38.3 45.5 -62.5 57 58 A Q T << S+ 0 0 163 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 0.846 82.9 48.7 -53.3 -34.1 -40.3 46.1 -65.7 58 59 A G T 3 S+ 0 0 70 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.729 102.7 81.1 -79.1 -21.4 -39.6 49.8 -65.4 59 60 A E < - 0 0 52 -3,-1.2 2,-0.2 -4,-0.1 3,-0.1 -0.346 59.9-155.0 -87.4 166.8 -35.8 49.3 -64.9 60 61 A Q + 0 0 159 1,-0.1 3,-0.1 -2,-0.1 -1,-0.0 -0.732 59.8 49.2-129.2 174.8 -32.9 48.7 -67.2 61 62 A G S S+ 0 0 49 -2,-0.2 22,-0.7 1,-0.2 23,-0.3 0.831 84.6 95.1 62.6 38.9 -29.4 47.2 -67.0 62 63 A F E -I 82 0C 43 20,-0.2 2,-0.3 -3,-0.1 20,-0.2 -0.930 49.3-161.7-146.4 167.0 -30.1 43.9 -65.4 63 64 A R E -I 81 0C 96 18,-1.6 18,-2.3 -2,-0.3 2,-0.5 -0.987 11.5-142.9-152.6 154.2 -30.7 40.4 -66.6 64 65 A L E +I 80 0C 26 -2,-0.3 16,-0.2 16,-0.2 -2,-0.0 -0.983 23.7 175.7-124.1 119.8 -32.2 37.2 -65.2 65 66 A T E -I 79 0C 44 14,-1.9 14,-3.3 -2,-0.5 2,-0.1 -0.975 30.2-120.6-128.4 137.5 -30.7 33.9 -66.1 66 67 A P E -I 78 0C 76 0, 0.0 2,-0.3 0, 0.0 12,-0.2 -0.456 35.2-167.4 -71.3 146.7 -31.5 30.4 -65.0 67 68 A L E - 0 0 51 10,-1.7 2,-1.4 2,-0.2 10,-0.4 -0.916 36.7-109.9-134.9 161.1 -28.5 28.6 -63.4 68 69 A A E S+ 0 0 105 -2,-0.3 2,-0.3 8,-0.1 10,-0.1 -0.311 85.7 108.1 -85.4 52.6 -27.7 25.0 -62.3 69 70 A L E - 0 0 31 -2,-1.4 8,-1.7 8,-0.4 2,-0.3 -0.935 52.3-156.6-128.4 152.7 -27.9 26.1 -58.7 70 71 A K E -Ij 76 373C 80 302,-2.2 304,-2.1 -2,-0.3 2,-0.1 -0.907 14.2-127.7-128.8 156.7 -30.5 25.4 -56.0 71 72 A D > - 0 0 6 4,-2.2 3,-2.5 -2,-0.3 4,-0.1 -0.391 49.0 -86.5 -90.9 177.3 -31.7 27.2 -52.8 72 73 A F T 3 S+ 0 0 37 1,-0.3 -1,-0.1 302,-0.2 303,-0.0 0.601 129.5 61.1 -65.3 -7.1 -31.8 25.2 -49.6 73 74 A H T 3 S- 0 0 136 2,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.336 119.0-113.6 -95.1 5.6 -35.3 24.0 -50.4 74 75 A R S < S+ 0 0 89 -3,-2.5 -2,-0.2 1,-0.3 299,-0.0 0.766 72.3 139.8 68.0 27.2 -33.7 22.4 -53.4 75 76 A Q - 0 0 107 -4,-0.1 -4,-2.2 1,-0.1 -1,-0.3 -0.872 58.0-102.6-105.3 136.1 -35.6 24.7 -55.7 76 77 A P E - I 0 70C 64 0, 0.0 -30,-2.9 0, 0.0 -29,-0.3 -0.108 37.2-156.2 -52.5 147.0 -33.9 26.1 -58.8 77 78 A V E -G 45 0C 1 -8,-1.7 -10,-1.7 -10,-0.4 -8,-0.4 -0.823 8.6-141.4-125.4 163.9 -32.7 29.7 -58.8 78 79 A Y E -GI 44 66C 66 -34,-2.8 -34,-2.5 -2,-0.3 2,-0.5 -0.865 23.3-121.6-118.0 155.6 -32.0 32.4 -61.4 79 80 A G E -GI 43 65C 0 -14,-3.3 -14,-1.9 -2,-0.3 2,-0.8 -0.853 13.0-147.6-101.6 134.9 -29.1 34.8 -61.1 80 81 A L E -GI 42 64C 0 -38,-3.3 -38,-1.1 -2,-0.5 2,-0.4 -0.887 24.5-166.0-101.4 103.6 -30.0 38.5 -61.1 81 82 A Y E +GI 41 63C 44 -18,-2.3 -18,-1.6 -2,-0.8 2,-0.3 -0.753 14.5 170.8 -97.8 138.7 -27.0 40.1 -62.9 82 83 A C E -GI 40 62C 1 -42,-1.8 -42,-2.7 -2,-0.4 -20,-0.2 -0.973 32.5-145.6-139.0 150.5 -26.1 43.8 -62.9 83 84 A R S S+ 0 0 160 -22,-0.7 -65,-1.1 -2,-0.3 2,-0.4 0.512 92.5 57.6 -93.7 -5.4 -23.1 45.7 -64.2 84 85 A A > - 0 0 22 -23,-0.3 4,-1.7 -67,-0.2 -1,-0.1 -0.991 68.6-158.0-126.0 126.4 -23.5 48.2 -61.4 85 86 A H H > S+ 0 0 2 -2,-0.4 4,-2.4 2,-0.2 5,-0.1 0.882 92.9 53.1 -72.9 -38.2 -23.5 47.1 -57.8 86 87 A R H > S+ 0 0 145 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.847 112.2 48.4 -64.8 -31.4 -25.3 50.1 -56.3 87 88 A Q H > S+ 0 0 56 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.868 108.5 52.5 -75.3 -38.5 -28.0 49.5 -58.9 88 89 A L H X S+ 0 0 2 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.913 107.9 53.8 -63.0 -40.7 -28.2 45.8 -58.1 89 90 A M H X S+ 0 0 55 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.912 106.4 49.5 -62.0 -43.3 -28.6 46.7 -54.5 90 91 A N H X S+ 0 0 73 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.869 108.5 54.3 -65.8 -34.3 -31.6 49.0 -55.1 91 92 A Y H X S+ 0 0 12 -4,-1.8 4,-3.2 2,-0.2 -1,-0.2 0.890 107.1 50.3 -64.6 -38.6 -33.3 46.3 -57.1 92 93 A E H X S+ 0 0 16 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.914 109.8 51.4 -64.0 -40.7 -33.0 43.9 -54.3 93 94 A K H X S+ 0 0 61 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.953 113.7 44.8 -57.3 -51.0 -34.5 46.6 -52.1 94 95 A R H X S+ 0 0 90 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.877 114.6 47.1 -59.5 -46.0 -37.3 46.9 -54.6 95 96 A L H <>S+ 0 0 0 -4,-3.2 5,-3.2 2,-0.2 -1,-0.2 0.893 111.1 51.1 -66.0 -43.1 -37.8 43.1 -55.0 96 97 A R H ><5S+ 0 0 108 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.898 108.6 52.9 -60.4 -43.1 -37.7 42.5 -51.2 97 98 A E H 3<5S+ 0 0 116 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.846 109.0 50.2 -61.8 -35.5 -40.4 45.2 -50.8 98 99 A G T 3<5S- 0 0 23 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.259 124.3-103.4 -88.4 11.6 -42.5 43.4 -53.4 99 100 A G T < 5S+ 0 0 56 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.612 71.1 145.1 80.5 11.5 -42.1 40.1 -51.6 100 101 A V < - 0 0 5 -5,-3.2 2,-0.5 -6,-0.1 -1,-0.3 -0.684 49.7-124.4 -85.1 138.2 -39.6 38.5 -53.9 101 102 A T - 0 0 43 -2,-0.3 2,-0.4 -56,-0.1 -53,-0.1 -0.689 29.3-171.1 -82.4 126.3 -37.1 36.2 -52.2 102 103 A V - 0 0 13 -2,-0.5 2,-0.3 -58,-0.1 3,-0.3 -0.982 5.9-154.8-123.6 130.7 -33.4 37.2 -52.9 103 104 A Y B +H 43 0C 10 -60,-3.2 -60,-2.5 -2,-0.4 274,-0.1 -0.806 69.0 2.6-106.0 145.1 -30.4 35.2 -51.9 104 105 A E S > S+ 0 0 0 -2,-0.3 3,-0.5 271,-0.3 -1,-0.2 0.811 75.5 139.1 54.5 39.0 -26.8 36.4 -51.3 105 106 A A T 3 + 0 0 20 -3,-0.3 -1,-0.1 1,-0.2 -13,-0.1 0.608 61.7 67.5 -85.7 -11.8 -27.6 40.0 -51.8 106 107 A D T 3 S+ 0 0 82 2,-0.1 2,-0.7 1,-0.0 -1,-0.2 0.590 76.5 107.2 -80.9 -12.6 -25.4 41.0 -48.8 107 108 A V < - 0 0 13 -3,-0.5 -66,-0.2 -66,-0.1 -1,-0.0 -0.591 59.6-153.1 -77.1 111.0 -22.3 39.9 -50.8 108 109 A R > - 0 0 66 -2,-0.7 4,-2.3 1,-0.1 5,-0.2 -0.342 27.8-103.0 -79.0 160.4 -20.2 42.8 -52.0 109 110 A P H > S+ 0 0 7 0, 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A S - 0 0 28 2,-0.2 -1,-0.2 424,-0.2 423,-0.1 -0.925 62.3-120.8-146.9 167.5 -8.8 48.8 -16.9 282 291 A F + 0 0 37 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.0 0.223 69.1 124.0 -99.6 15.2 -8.1 49.5 -20.6 283 292 A S S > S- 0 0 60 1,-0.1 4,-1.9 -14,-0.0 3,-0.4 -0.473 74.3-115.8 -68.9 149.4 -7.1 53.1 -20.0 284 293 A L H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.856 110.9 52.5 -57.0 -43.1 -3.6 53.5 -21.5 285 294 A E H > S+ 0 0 63 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.839 110.0 49.5 -65.5 -33.5 -1.8 54.3 -18.3 286 295 A T H > S+ 0 0 30 -3,-0.4 4,-2.8 2,-0.2 5,-0.3 0.910 111.0 47.6 -71.2 -47.3 -3.2 51.2 -16.5 287 296 A V H X S+ 0 0 0 -4,-1.9 4,-3.6 1,-0.2 5,-0.5 0.920 113.6 50.2 -60.5 -42.6 -2.2 48.9 -19.3 288 297 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 6,-1.7 0.912 112.0 45.9 -62.8 -43.9 1.2 50.5 -19.4 289 298 A Q H X S+ 0 0 117 -4,-2.1 4,-1.0 4,-0.3 -2,-0.2 0.938 121.6 37.7 -66.1 -44.4 1.7 50.1 -15.6 290 299 A E H < S+ 0 0 86 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.886 126.4 34.9 -75.5 -39.3 0.5 46.5 -15.6 291 300 A L 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111.6 49.5 -59.5 -46.9 -48.8 66.5 -27.1 1093 340 B T H X S+ 0 0 15 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.885 110.6 50.1 -60.2 -40.8 -51.4 67.5 -29.7 1094 341 B Q H X S+ 0 0 77 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.882 109.4 51.6 -65.3 -39.6 -53.3 69.5 -27.1 1095 342 B I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 6,-0.3 0.927 108.3 51.5 -62.7 -45.2 -50.1 71.2 -26.0 1096 343 B F H X>S+ 0 0 2 -4,-2.5 5,-1.1 1,-0.2 4,-1.1 0.916 113.1 45.3 -58.7 -43.6 -49.4 72.2 -29.6 1097 344 B H H <5S+ 0 0 115 -4,-2.1 3,-0.3 2,-0.2 -2,-0.2 0.927 113.1 48.7 -65.9 -46.6 -52.8 73.7 -30.0 1098 345 B K H <5S+ 0 0 125 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.948 116.9 41.5 -59.0 -50.6 -52.8 75.6 -26.7 1099 346 B T H <5S- 0 0 13 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.629 95.4-140.1 -72.9 -15.3 -49.3 77.1 -27.3 1100 347 B E T X5 + 0 0 127 -4,-1.1 4,-1.4 -3,-0.3 -3,-0.2 0.853 46.8 155.2 53.4 36.4 -50.1 77.8 -31.0 1101 348 B I H >< + 0 0 2 -5,-1.1 4,-2.6 -6,-0.3 5,-0.2 0.856 59.6 57.1 -63.4 -38.9 -46.5 76.7 -31.6 1102 349 B M H > S+ 0 0 6 -6,-0.4 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-1,-0.3 0.398 98.7 126.5 71.7 3.4 -11.5 105.1 -38.6 1210 457 B A < - 0 0 0 -3,-3.0 -4,-2.8 57,-0.1 2,-0.5 -0.803 43.4-164.5 -89.9 119.6 -14.4 102.7 -39.7 1211 458 B W E -X 1205 0Q 32 -2,-0.7 2,-0.5 -20,-0.3 -16,-0.4 -0.914 7.8-159.7-112.9 134.7 -16.2 104.3 -42.6 1212 459 B F E -X 1204 0Q 1 -8,-2.8 -8,-2.6 -2,-0.5 -21,-0.2 -0.935 23.3-118.4-114.7 126.4 -19.6 103.3 -43.9 1213 460 B S E -X 1203 0Q 7 -23,-2.1 -10,-0.3 -2,-0.5 -19,-0.1 -0.275 11.7-157.8 -61.7 138.0 -20.7 104.2 -47.4 1214 461 B R S S+ 0 0 39 -12,-2.8 -11,-0.1 1,-0.1 -1,-0.1 0.771 91.7 41.6 -85.0 -30.0 -23.8 106.4 -47.8 1215 462 B E S S+ 0 0 164 -13,-0.6 2,-0.5 1,-0.2 -1,-0.1 0.807 114.6 41.9 -90.9 -31.1 -24.6 105.2 -51.3 1216 463 B K S S+ 0 0 71 -26,-0.1 2,-0.3 -27,-0.1 -3,-0.3 -0.908 70.8 118.9-129.4 110.5 -24.0 101.4 -51.2 1217 464 B H - 0 0 31 -2,-0.5 -31,-0.1 -3,-0.1 -30,-0.1 -0.976 34.5-162.0-157.9 165.1 -25.1 99.2 -48.3 1218 465 B C S > S+ 0 0 3 -2,-0.3 4,-1.9 -33,-0.1 3,-0.3 0.749 78.6 59.3-122.3 -43.6 -27.3 96.2 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157.2 -32.6 73.2 0.6 1462 732 B W E + Z 01467R 46 -43,-0.4 16,-2.3 -2,-0.3 2,-0.2 -0.804 42.7 173.7 -94.2 118.7 -29.6 74.4 2.4 1463 733 B T E > -AZ14771466R 1 3,-2.4 3,-0.9 -2,-0.7 14,-0.3 -0.613 47.1 -83.0-115.3 172.6 -28.6 72.2 5.3 1464 734 B T T 3 S+ 0 0 62 12,-3.3 11,-0.1 1,-0.3 -1,-0.1 -0.535 128.2 37.0 -66.6 148.6 -25.7 72.0 7.7 1465 735 B N T 3 S- 0 0 135 -2,-0.1 -1,-0.3 -3,-0.1 10,-0.1 0.867 127.6 -91.6 70.3 31.0 -23.3 70.0 5.5 1466 736 B G E < S-Z 1463 0R 18 -3,-0.9 -3,-2.4 -4,-0.1 9,-0.1 0.001 74.1 -1.4 73.0-166.6 -24.6 71.9 2.4 1467 737 B P E +Z 1462 0R 10 0, 0.0 -5,-0.2 0, 0.0 -7,-0.0 -0.365 56.5 175.7 -67.3 138.1 -27.2 71.7 -0.4 1468 738 B E E -Z 1461 0R 14 -7,-2.1 -7,-2.7 -2,-0.1 -26,-0.2 -0.991 35.0-100.8-145.4 148.0 -29.5 68.7 -0.5 1469 739 B P E -Z 1460 0R 3 0, 0.0 -9,-0.3 0, 0.0 5,-0.1 -0.372 34.2-116.4 -67.1 147.1 -32.5 67.8 -2.7 1470 740 B L S > S+ 0 0 56 -11,-1.9 3,-0.9 -49,-0.2 2,-0.3 0.913 108.1 56.9 -50.4 -46.6 -35.9 68.4 -1.2 1471 741 B D T 3 S+ 0 0 94 -12,-0.3 3,-0.1 1,-0.2 -12,-0.0 -0.699 115.5 22.0 -84.8 139.2 -36.5 64.6 -1.4 1472 742 B Y T 3 S+ 0 0 118 -2,-0.3 -1,-0.2 1,-0.3 2,-0.2 0.650 78.7 173.5 79.7 13.5 -33.8 62.7 0.5 1473 743 B Q < + 0 0 82 -3,-0.9 -1,-0.3 1,-0.2 -3,-0.1 -0.429 3.2 177.9 -56.0 119.0 -32.9 65.7 2.6 1474 744 B R + 0 0 180 -2,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.816 49.6 54.2 -96.9 -37.8 -30.5 64.0 5.0 1475 745 B S S S- 0 0 11 -9,-0.1 2,-0.1 -11,-0.1 3,-0.1 -0.562 87.2 -90.4-105.6 164.6 -29.3 66.8 7.2 1476 746 B P - 0 0 85 0, 0.0 -12,-3.3 0, 0.0 -1,-0.1 -0.399 52.5 -97.2 -70.1 143.4 -30.7 69.5 9.5 1477 747 B L B -A 1463 0R 27 -14,-0.3 2,-0.8 -2,-0.1 -14,-0.3 -0.205 26.9-131.1 -58.3 147.0 -31.5 72.8 7.9 1478 748 B D > + 0 0 51 -16,-2.3 4,-1.2 1,-0.2 3,-0.1 -0.848 25.2 178.3-106.1 99.0 -29.0 75.7 8.3 1479 749 B Y H > S+ 0 0 57 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.822 78.5 61.9 -68.9 -32.3 -30.9 78.7 9.5 1480 750 B E H > S+ 0 0 113 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.911 101.8 54.9 -58.6 -42.5 -27.8 80.9 9.7 1481 751 B H H > S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.921 110.2 43.0 -57.9 -48.6 -27.4 80.4 5.9 1482 752 B Y H X>S+ 0 0 0 -4,-1.2 5,-2.1 3,-0.2 4,-1.5 0.872 114.4 52.6 -67.0 -36.0 -30.9 81.6 5.2 1483 753 B L H <>S+ 0 0 2 -4,-2.5 5,-2.0 3,-0.2 -2,-0.2 0.924 121.1 29.1 -65.1 -46.9 -30.6 84.5 7.6 1484 754 B T H <5S+ 0 0 49 -4,-2.8 -2,-0.2 3,-0.2 -3,-0.2 0.783 129.3 38.4 -86.0 -30.3 -27.3 85.8 6.1 1485 755 B R H <5S+ 0 0 164 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.2 0.532 130.8 18.8-101.2 -7.0 -27.7 84.7 2.5 1486 756 B Q T X5S+ 0 0 11 -4,-1.5 4,-1.4 -5,-0.2 -3,-0.2 0.640 127.7 34.2-124.3 -63.3 -31.5 85.4 2.0 1487 757 B L H > S+ 0 0 55 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.927 112.3 47.9 -60.2 -47.7 -29.5 90.8 1.2 1490 760 B V H >< S+ 0 0 1 -4,-1.4 3,-0.6 1,-0.2 4,-0.5 0.947 115.4 44.9 -58.0 -51.3 -33.2 91.8 0.8 1491 761 B A H >X S+ 0 0 0 -4,-2.5 4,-3.4 1,-0.2 3,-1.7 0.927 112.9 48.7 -61.6 -47.3 -33.1 93.9 3.9 1492 762 B E H 3< S+ 0 0 66 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.610 97.2 71.4 -73.3 -7.1 -29.9 95.7 3.2 1493 763 B G T << S+ 0 0 26 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.728 123.4 7.1 -75.8 -19.0 -31.0 96.4 -0.4 1494 764 B I T X> S+ 0 0 0 -3,-1.7 3,-1.0 -4,-0.5 4,-0.5 0.675 106.4 81.7-132.1 -34.3 -33.4 98.9 1.2 1495 765 B L G ><>S+ 0 0 0 -4,-3.4 5,-2.8 1,-0.2 3,-1.2 0.805 90.0 58.8 -49.7 -39.0 -32.9 99.5 5.0 1496 766 B P G >45S+ 0 0 62 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.861 96.2 62.0 -60.9 -37.7 -30.0 102.0 4.6 1497 767 B F G <45S+ 0 0 75 -3,-1.0 -333,-0.2 1,-0.3 -2,-0.2 0.664 109.7 42.1 -66.5 -14.3 -32.1 104.4 2.5 1498 768 B I G <<5S- 0 0 51 -3,-1.2 -1,-0.3 -4,-0.5 -3,-0.1 0.096 121.5-103.1-116.4 21.6 -34.4 104.8 5.4 1499 769 B E T < 5S+ 0 0 184 -3,-2.0 2,-0.3 1,-0.2 -2,-0.1 0.800 81.2 123.6 69.5 26.8 -31.7 105.1 8.1 1500 770 B D < - 0 0 22 -5,-2.8 2,-0.4 -6,-0.1 -1,-0.2 -0.834 49.5-142.9-120.1 162.4 -32.2 101.6 9.4 1501 771 B N > - 0 0 70 -2,-0.3 4,-1.6 1,-0.1 5,-0.2 -0.982 6.8-153.7-128.2 128.7 -29.8 98.7 9.8 1502 772 B F H > S+ 0 0 0 -2,-0.4 4,-2.0 1,-0.2 5,-0.2 0.939 98.0 52.9 -66.0 -45.1 -30.5 95.0 9.3 1503 773 B A H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.867 105.9 56.9 -57.2 -37.3 -27.7 93.8 11.7 1504 774 B T H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.949 112.4 36.3 -63.5 -51.9 -29.2 96.1 14.4 1505 775 B L H X S+ 0 0 3 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.777 116.0 57.0 -74.3 -19.5 -32.7 94.7 14.5 1506 776 B M H X S+ 0 0 30 -4,-2.0 4,-2.7 -5,-0.2 5,-0.2 0.910 110.2 45.0 -70.8 -41.7 -31.2 91.2 13.8 1507 777 B T H X S+ 0 0 60 -4,-2.7 4,-3.2 2,-0.2 -2,-0.2 0.892 106.8 57.2 -67.9 -42.1 -29.1 91.7 16.9 1508 778 B G H < S+ 0 0 62 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.816 115.9 39.5 -59.8 -27.1 -32.0 93.0 19.0 1509 779 B Q H < S+ 0 0 59 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.881 130.4 22.8 -88.4 -44.5 -33.7 89.8 18.2 1510 780 B L H < S- 0 0 68 -4,-2.7 3,-0.4 1,-0.2 -3,-0.2 0.550 96.0-134.1-104.8 -11.3 -31.0 87.2 18.4 1511 781 B G < - 0 0 39 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.263 39.7 -61.4 86.1-176.0 -28.3 88.7 20.6 1512 782 B L 0 0 155 -4,-0.1 -1,-0.2 -2,-0.0 -5,-0.1 0.340 360.0 360.0 -94.5 5.7 -24.6 88.9 20.1 1513 783 B F 0 0 255 -3,-0.4 0, 0.0 -6,-0.1 0, 0.0 -0.988 360.0 360.0-146.6 360.0 -23.8 85.1 20.0