==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 26-MAR-12 4ED3 . COMPND 2 MOLECULE: DNA POLYMERASE ETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.NAKAMURA,Y.ZHAO,W.YANG . 430 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21918.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 296 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 14.9 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 20 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 1 0 1 1 2 1 2 1 1 0 0 1 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 0 2 1 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 G > 0 0 85 0, 0.0 3,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-125.6 67.2 -34.4 -3.9 2 -1 A P T 3 + 0 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.690 360.0 51.3 -72.1 -21.3 68.6 -32.9 -7.2 3 0 A H T 3 S+ 0 0 181 2,-0.1 2,-1.0 1,-0.0 0, 0.0 0.392 80.4 111.2 -97.9 1.6 65.2 -32.3 -8.7 4 1 A M < - 0 0 133 -3,-0.9 2,-0.0 2,-0.0 -1,-0.0 -0.668 64.1-142.1 -83.0 101.0 63.8 -30.5 -5.7 5 2 A A - 0 0 80 -2,-1.0 -2,-0.1 1,-0.1 299,-0.0 -0.327 12.2-164.8 -64.5 144.7 63.2 -26.9 -6.8 6 3 A T - 0 0 56 297,-0.0 -1,-0.1 -2,-0.0 -2,-0.0 0.208 37.5-113.6-122.2 9.5 64.1 -24.3 -4.1 7 4 A G S S+ 0 0 7 1,-0.1 298,-0.1 297,-0.1 3,-0.1 0.922 78.3 124.0 56.8 50.2 62.5 -21.1 -5.4 8 5 A Q + 0 0 44 1,-0.1 -1,-0.1 296,-0.1 210,-0.1 0.142 34.0 103.7-123.4 16.4 65.8 -19.3 -5.9 9 6 A D S S+ 0 0 97 208,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.664 77.3 45.8 -74.7 -22.7 65.4 -18.5 -9.6 10 7 A R - 0 0 24 207,-0.4 2,-0.5 -3,-0.1 179,-0.1 -0.819 64.4-140.0-122.7 158.9 64.5 -14.8 -9.2 11 8 A V + 0 0 2 -2,-0.3 113,-2.6 177,-0.1 114,-0.7 -0.988 31.8 178.8-115.8 119.9 65.7 -11.7 -7.4 12 9 A V E -AB 123 216A 0 204,-2.9 204,-2.5 -2,-0.5 2,-0.3 -0.960 9.5-167.2-124.6 135.4 62.7 -9.7 -6.2 13 10 A A E -AB 122 215A 0 109,-2.7 109,-2.6 -2,-0.4 2,-0.5 -0.900 10.6-156.6-118.9 152.9 62.5 -6.5 -4.2 14 11 A L E -AB 121 214A 0 200,-2.1 200,-2.1 -2,-0.3 2,-0.5 -0.988 13.3-167.1-123.6 118.7 59.7 -4.6 -2.4 15 12 A V E +AB 120 213A 1 105,-2.6 105,-2.0 -2,-0.5 2,-0.4 -0.934 9.0 178.8-109.8 127.1 60.3 -0.9 -1.9 16 13 A D E -AB 119 212A 15 196,-2.6 196,-2.6 -2,-0.5 103,-0.2 -0.990 27.1-122.0-134.6 128.9 58.0 0.9 0.5 17 14 A M E > - B 0 211A 3 101,-2.4 3,-0.6 -2,-0.4 194,-0.3 -0.365 32.7-112.7 -69.4 141.3 58.1 4.6 1.5 18 15 A D T 3 S- 0 0 4 192,-2.0 5,-0.4 1,-0.2 192,-0.2 -0.583 87.1 -23.2 -73.1 138.7 58.4 5.3 5.2 19 16 A C T >> S- 0 0 18 -2,-0.3 4,-2.1 3,-0.1 3,-0.6 0.800 86.3-165.4 23.8 66.3 55.3 6.9 6.8 20 17 A F H <> S+ 0 0 8 -3,-0.6 4,-2.1 1,-0.3 5,-0.2 0.833 72.9 43.7 -56.9 -55.2 54.4 8.1 3.3 21 18 A F H 3> S+ 0 0 32 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.853 114.0 54.5 -62.8 -33.6 51.7 10.8 3.7 22 19 A V H <> S+ 0 0 1 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.938 106.9 49.5 -61.3 -47.5 53.7 12.2 6.6 23 20 A Q H X S+ 0 0 20 -4,-2.1 4,-2.4 -5,-0.4 -2,-0.2 0.876 108.0 54.8 -59.9 -37.5 56.8 12.6 4.5 24 21 A V H X S+ 0 0 5 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.942 112.4 43.1 -59.5 -45.7 54.8 14.3 1.7 25 22 A E H X S+ 0 0 14 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.861 113.1 52.2 -69.5 -34.3 53.6 16.8 4.3 26 23 A Q H < S+ 0 0 24 -4,-2.6 7,-0.3 2,-0.2 6,-0.2 0.846 106.0 53.7 -72.1 -34.4 57.1 17.3 5.8 27 24 A R H < S+ 0 0 86 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.945 114.3 42.2 -61.5 -45.0 58.6 18.0 2.5 28 25 A Q H < S+ 0 0 122 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.846 123.4 36.8 -70.6 -38.2 56.1 20.7 1.9 29 26 A N >< - 0 0 61 -4,-2.2 3,-2.5 -5,-0.1 4,-0.3 -0.853 65.3-168.9-123.3 94.9 56.2 22.2 5.4 30 27 A P G > S+ 0 0 80 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.736 82.6 73.5 -57.2 -24.8 59.8 22.1 6.9 31 28 A H G 3 S+ 0 0 156 1,-0.3 -5,-0.1 3,-0.0 -2,-0.0 0.706 95.3 52.9 -59.9 -21.2 58.3 23.0 10.3 32 29 A L G X S+ 0 0 15 -3,-2.5 3,-1.1 -6,-0.2 -1,-0.3 0.533 83.8 115.9 -90.6 -8.3 57.0 19.4 10.5 33 30 A R T < S+ 0 0 115 -3,-1.5 -10,-0.0 -4,-0.3 -6,-0.0 -0.352 83.9 4.1 -69.8 141.6 60.4 17.8 9.8 34 31 A N T 3 S+ 0 0 139 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.832 108.1 117.0 54.7 36.7 62.0 15.6 12.5 35 32 A K S < S- 0 0 99 -3,-1.1 2,-0.6 44,-0.0 22,-0.3 -0.919 79.9 -97.9-127.8 153.1 58.9 16.1 14.7 36 33 A P + 0 0 27 0, 0.0 43,-2.5 0, 0.0 2,-0.3 -0.639 68.0 149.4 -64.5 115.9 56.2 13.8 16.1 37 34 A C E -g 79 0B 4 -2,-0.6 17,-2.8 41,-0.2 2,-0.3 -0.972 29.8-167.0-152.5 161.9 53.5 14.4 13.6 38 35 A A E -gH 80 53B 1 41,-2.0 43,-2.0 -2,-0.3 2,-0.4 -0.978 22.9-121.5-147.2 158.8 50.6 12.7 11.9 39 36 A V E -gH 81 52B 1 13,-2.2 12,-3.0 -2,-0.3 13,-1.2 -0.915 34.1-172.5-106.4 134.3 48.2 13.2 8.9 40 37 A V E -gH 82 50B 0 41,-2.4 43,-2.5 -2,-0.4 2,-0.4 -0.880 17.0-141.4-126.0 151.9 44.5 13.4 9.7 41 38 A Q E S- H 0 49B 61 8,-2.3 8,-2.2 -2,-0.3 43,-0.1 -0.969 70.5 -4.5-119.2 138.4 41.3 13.5 7.8 42 39 A Y - 0 0 74 -2,-0.4 41,-0.1 41,-0.3 47,-0.0 0.002 60.4-150.7 64.9 173.0 38.3 15.6 8.7 43 40 A K S > S+ 0 0 80 5,-0.2 4,-1.0 39,-0.1 5,-0.1 0.485 74.2 77.5-150.3 -28.9 38.6 17.6 12.0 44 41 A S T 4 S+ 0 0 126 3,-0.2 2,-0.9 2,-0.1 3,-0.1 0.865 84.8 65.4 -66.6 -42.5 35.1 18.0 13.5 45 42 A W T >4 S- 0 0 173 1,-0.2 3,-1.9 2,-0.1 -1,-0.1 -0.765 133.4 -34.6 -90.5 105.0 34.7 14.5 14.9 46 43 A K T 34 S- 0 0 99 -2,-0.9 23,-2.7 1,-0.3 24,-0.4 0.745 114.5 -58.7 57.1 31.7 37.3 13.9 17.7 47 44 A G T 3< S- 0 0 6 -4,-1.0 -1,-0.3 21,-0.2 -3,-0.2 0.412 101.5 -65.2 85.2 0.1 40.0 16.0 16.0 48 45 A G < - 0 0 1 -3,-1.9 20,-3.2 -5,-0.1 2,-0.5 -0.095 60.1 -78.0 102.5 157.3 40.0 13.9 12.8 49 46 A G E -HI 41 67B 13 -8,-2.2 -8,-2.3 18,-0.2 2,-0.3 -0.804 43.9-125.3 -96.4 130.2 41.0 10.3 12.1 50 47 A I E +H 40 0B 2 16,-2.7 15,-2.6 -2,-0.5 -10,-0.3 -0.559 33.0 168.3 -76.4 129.6 44.8 9.6 11.8 51 48 A I E + 0 0 36 -12,-3.0 2,-0.3 1,-0.3 -11,-0.2 0.542 66.7 23.9-115.8 -11.3 45.9 7.9 8.6 52 49 A A E -H 39 0B 3 -13,-1.2 -13,-2.2 11,-0.1 2,-0.4 -0.979 62.4-163.3-154.9 144.4 49.7 8.2 8.8 53 50 A V E -H 38 0B 5 -2,-0.3 -15,-0.2 -15,-0.2 -34,-0.1 -0.993 19.1-126.2-137.7 130.3 52.2 8.6 11.7 54 51 A S > - 0 0 1 -17,-2.8 4,-1.9 -2,-0.4 3,-0.3 -0.333 30.4-114.5 -70.2 156.4 55.9 9.7 11.8 55 52 A Y H > S+ 0 0 57 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.867 117.7 57.7 -63.1 -33.6 58.3 7.4 13.6 56 53 A E H 4 S+ 0 0 76 -21,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.896 109.2 45.7 -58.6 -41.7 58.9 10.0 16.3 57 54 A A H >4>S+ 0 0 0 -22,-0.3 5,-1.6 -3,-0.3 3,-1.3 0.816 103.9 62.0 -73.5 -30.6 55.1 10.0 17.0 58 55 A R H ><5S+ 0 0 94 -4,-1.9 3,-2.1 1,-0.3 -1,-0.2 0.859 92.0 67.0 -61.9 -32.2 55.0 6.1 17.0 59 56 A A T 3<5S+ 0 0 92 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.720 99.4 51.1 -61.9 -22.0 57.4 6.2 19.9 60 57 A F T < 5S- 0 0 108 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.452 126.6-101.5 -90.2 -3.9 54.6 7.8 22.0 61 58 A G T < 5 + 0 0 36 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.554 68.1 154.1 94.2 11.1 52.1 5.0 20.9 62 59 A V < + 0 0 3 -5,-1.6 -1,-0.3 -8,-0.1 2,-0.3 -0.563 20.2 177.6 -72.4 133.6 50.3 7.1 18.2 63 60 A T > - 0 0 69 -2,-0.3 3,-1.3 -11,-0.1 -13,-0.2 -0.910 34.9 -85.3-134.3 161.8 48.8 4.8 15.6 64 61 A R T 3 S+ 0 0 157 -2,-0.3 -13,-0.2 1,-0.2 3,-0.1 -0.293 111.7 31.1 -55.6 148.4 46.7 4.8 12.5 65 62 A S T 3 S+ 0 0 98 -15,-2.6 -1,-0.2 1,-0.3 2,-0.2 0.221 89.4 125.6 82.5 -13.4 42.9 4.7 13.1 66 63 A M < - 0 0 39 -3,-1.3 -16,-2.7 -16,-0.1 -1,-0.3 -0.492 67.5-115.0 -72.6 142.6 43.3 6.7 16.3 67 64 A W B >> -I 49 0B 90 -18,-0.2 4,-2.5 -2,-0.2 3,-0.7 -0.607 22.8-124.4 -73.3 142.3 41.3 9.9 16.7 68 65 A A H 3> S+ 0 0 1 -20,-3.2 4,-2.3 1,-0.3 -21,-0.2 0.862 111.0 58.8 -58.9 -36.1 43.6 12.9 16.9 69 66 A D H 34 S+ 0 0 85 -23,-2.7 4,-0.5 -21,-0.3 -1,-0.3 0.876 110.7 43.2 -59.8 -36.3 42.0 14.0 20.2 70 67 A D H X> S+ 0 0 56 -3,-0.7 4,-1.0 -24,-0.4 3,-0.9 0.881 110.2 54.5 -76.6 -39.8 43.0 10.6 21.6 71 68 A A H >X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-0.6 0.866 102.2 59.4 -57.5 -38.1 46.5 10.8 20.0 72 69 A K H 3< S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.729 97.5 60.7 -64.4 -24.1 47.0 14.2 21.7 73 70 A K H <4 S+ 0 0 153 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.858 112.6 36.6 -71.4 -32.9 46.5 12.4 25.0 74 71 A L H << S+ 0 0 82 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.793 134.7 24.3 -82.7 -30.7 49.5 10.2 24.3 75 72 A C >< - 0 0 1 -4,-2.1 3,-2.3 -5,-0.1 -1,-0.2 -0.733 64.0-179.2-142.7 80.5 51.5 12.9 22.6 76 73 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.785 86.4 51.2 -58.5 -29.8 50.5 16.4 23.6 77 74 A D T 3 S+ 0 0 131 2,-0.1 -5,-0.1 -40,-0.0 -2,-0.0 0.300 79.0 139.2 -90.4 8.6 53.1 18.0 21.3 78 75 A L < - 0 0 2 -3,-2.3 2,-0.3 -7,-0.1 -41,-0.2 -0.276 44.4-144.4 -54.3 130.0 51.9 16.0 18.3 79 76 A L E -g 37 0B 61 -43,-2.5 -41,-2.0 -47,-0.1 2,-0.4 -0.782 15.0-154.0 -96.8 147.5 51.8 18.1 15.1 80 77 A L E -g 38 0B 47 -2,-0.3 2,-0.4 -43,-0.2 -41,-0.2 -0.939 15.5-167.6-126.4 141.3 49.1 17.5 12.6 81 78 A A E -g 39 0B 12 -43,-2.0 -41,-2.4 -2,-0.4 2,-0.4 -0.985 23.8-136.8-119.1 139.6 48.7 18.1 8.9 82 79 A Q E -g 40 0B 96 -2,-0.4 -41,-0.2 -43,-0.2 2,-0.1 -0.794 14.7-117.2-101.4 136.9 45.2 17.8 7.4 83 80 A V - 0 0 4 -43,-2.5 -41,-0.3 -2,-0.4 9,-0.1 -0.441 46.0-100.0 -62.2 139.6 44.2 16.0 4.2 84 81 A R - 0 0 158 7,-0.5 7,-2.8 -2,-0.1 2,-0.4 -0.294 32.6-142.9 -62.9 144.5 42.8 18.5 1.7 85 82 A E E +J 90 0C 100 5,-0.2 2,-0.3 -3,-0.1 5,-0.2 -0.957 23.6 169.9-110.6 132.9 39.0 18.8 1.4 86 83 A S E > +J 89 0C 21 3,-2.6 3,-1.9 -2,-0.4 260,-0.1 -0.995 68.5 0.1-139.1 140.2 37.3 19.4 -2.0 87 84 A R T 3 S- 0 0 82 -2,-0.3 3,-0.1 1,-0.3 259,-0.1 0.802 131.8 -56.4 51.5 33.3 33.7 19.2 -2.9 88 85 A G T 3 S+ 0 0 37 1,-0.2 2,-0.3 254,-0.0 -1,-0.3 0.539 120.3 88.0 82.4 7.9 32.9 18.2 0.7 89 86 A K E < S-J 86 0C 13 -3,-1.9 -3,-2.6 253,-0.1 -1,-0.2 -0.930 85.8 -86.2-138.6 160.2 35.2 15.2 0.8 90 87 A A E -J 85 0C 12 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.399 40.4-155.9 -63.9 138.4 38.8 14.2 1.5 91 88 A N - 0 0 5 -7,-2.8 -7,-0.5 1,-0.1 3,-0.4 -0.967 13.5-172.7-124.0 114.8 40.9 14.6 -1.6 92 89 A L >> + 0 0 45 -2,-0.5 4,-2.0 1,-0.2 3,-0.9 0.221 48.2 117.6 -93.8 16.2 44.1 12.5 -1.9 93 90 A T H 3> + 0 0 30 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.862 69.2 58.3 -52.5 -43.7 45.5 14.1 -5.0 94 91 A K H 3> S+ 0 0 69 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.868 110.8 43.0 -56.8 -37.4 48.7 15.4 -3.4 95 92 A Y H <> S+ 0 0 2 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.863 111.1 54.1 -79.4 -37.0 49.7 11.9 -2.3 96 93 A R H X S+ 0 0 71 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.899 110.7 47.5 -60.1 -40.3 48.8 10.3 -5.6 97 94 A E H X S+ 0 0 112 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.898 110.6 50.8 -71.1 -38.6 51.0 12.8 -7.4 98 95 A A H X S+ 0 0 2 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.2 0.875 107.5 55.5 -61.9 -38.6 53.9 12.2 -4.9 99 96 A S H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.919 103.4 53.8 -59.1 -47.8 53.4 8.5 -5.6 100 97 A V H X S+ 0 0 71 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.895 103.6 57.7 -54.3 -41.3 53.9 9.0 -9.3 101 98 A E H X S+ 0 0 67 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.917 111.8 40.8 -56.6 -45.0 57.2 10.8 -8.6 102 99 A V H X S+ 0 0 3 -4,-1.5 4,-2.3 -3,-0.2 -2,-0.2 0.914 112.2 53.1 -73.2 -42.2 58.6 7.8 -6.8 103 100 A M H X S+ 0 0 5 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.876 106.5 54.6 -61.9 -37.6 57.2 5.2 -9.2 104 101 A E H < S+ 0 0 122 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.875 108.5 48.3 -66.7 -35.6 58.8 7.0 -12.2 105 102 A I H >X S+ 0 0 9 -4,-1.3 3,-1.4 -5,-0.2 4,-0.5 0.943 111.6 49.4 -66.2 -48.2 62.3 6.9 -10.5 106 103 A M H >X S+ 0 0 2 -4,-2.3 3,-1.6 1,-0.3 4,-1.4 0.882 101.4 64.5 -57.9 -38.7 61.9 3.2 -9.7 107 104 A S H 3< S+ 0 0 42 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.700 90.6 66.3 -60.3 -20.2 60.9 2.4 -13.3 108 105 A R H <4 S+ 0 0 149 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.799 105.6 42.4 -69.9 -27.7 64.4 3.6 -14.5 109 106 A F H << S- 0 0 62 -3,-1.6 2,-0.3 -4,-0.5 -2,-0.2 0.826 127.7 -30.7 -89.5 -34.5 66.0 0.6 -12.7 110 107 A A S < S- 0 0 18 -4,-1.4 -1,-0.3 16,-0.0 2,-0.2 -0.989 75.6 -61.7-171.9 167.9 63.6 -2.1 -13.6 111 108 A V - 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0 0 26 -4,-0.5 2,-0.8 -3,-0.5 3,-0.1 -0.364 56.2-144.9 -70.9 142.0 80.1 -15.3 -0.3 178 179 A Q > + 0 0 107 1,-0.1 3,-1.4 3,-0.1 6,-0.2 -0.757 23.1 173.0-103.2 87.8 81.3 -17.3 -3.4 179 180 A I T 3 + 0 0 42 -2,-0.8 -42,-0.2 1,-0.3 -1,-0.1 0.529 68.1 73.9 -73.3 -6.2 81.8 -14.5 -5.9 180 181 A D T 3 S+ 0 0 120 1,-0.1 2,-0.7 -3,-0.1 -1,-0.3 0.651 85.3 72.7 -80.4 -16.9 83.3 -16.9 -8.5 181 182 A N X - 0 0 68 -3,-1.4 3,-2.0 1,-0.1 6,-0.2 -0.854 61.1-168.0-107.3 103.2 79.9 -18.5 -9.2 182 183 A L T 3 S+ 0 0 58 -2,-0.7 -1,-0.1 1,-0.3 -50,-0.1 0.663 89.5 54.8 -59.9 -15.7 77.6 -16.2 -11.2 183 184 A T T 3 S+ 0 0 94 -3,-0.1 -1,-0.3 4,-0.0 3,-0.1 0.305 70.8 122.9-106.7 7.6 74.8 -18.6 -10.4 184 185 A S <> - 0 0 18 -3,-2.0 4,-2.3 -6,-0.2 3,-0.2 -0.589 55.6-147.9 -66.2 119.5 75.0 -18.6 -6.6 185 186 A P H > S+ 0 0 34 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.872 97.6 54.2 -58.0 -36.0 71.5 -17.4 -5.5 186 187 A D H > S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.878 108.7 48.1 -66.0 -38.2 73.1 -15.8 -2.4 187 188 A L H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.914 110.0 53.0 -64.8 -42.0 75.4 -13.8 -4.6 188 189 A Q H X S+ 0 0 23 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.915 108.8 48.9 -61.2 -45.0 72.5 -12.8 -6.8 189 190 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.882 109.9 53.1 -57.1 -41.3 70.6 -11.5 -3.8 190 191 A T H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.920 110.1 45.2 -65.5 -44.3 73.6 -9.5 -2.7 191 192 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.891 110.1 57.3 -64.9 -38.8 74.0 -7.8 -6.0 192 193 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.918 105.8 49.8 -52.9 -46.4 70.3 -7.3 -5.9 193 194 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.855 106.0 55.9 -62.0 -36.4 70.8 -5.4 -2.6 194 195 A V H X S+ 0 0 6 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.937 109.3 47.1 -61.7 -42.9 73.5 -3.3 -4.2 195 196 A I H X S+ 0 0 10 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.883 109.3 53.2 -66.7 -40.4 71.1 -2.2 -6.8 196 197 A V H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.882 104.3 56.1 -63.8 -37.1 68.4 -1.4 -4.3 197 198 A E H X S+ 0 0 18 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.923 109.9 47.0 -54.7 -45.2 70.8 0.8 -2.3 198 199 A E H X S+ 0 0 74 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.915 112.2 49.1 -65.8 -42.1 71.2 2.7 -5.6 199 200 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.916 112.3 47.9 -62.1 -45.1 67.5 2.9 -6.2 200 201 A R H X S+ 0 0 14 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.883 110.3 52.0 -67.9 -35.9 66.8 4.1 -2.7 201 202 A A H X S+ 0 0 59 -4,-2.3 4,-3.0 -5,-0.3 -1,-0.2 0.916 110.3 49.2 -63.1 -41.7 69.6 6.7 -3.0 202 203 A A H X S+ 0 0 12 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.893 109.7 51.2 -65.0 -41.6 68.0 8.0 -6.2 203 204 A I H X>S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 6,-0.7 0.933 114.1 44.0 -62.2 -44.8 64.6 8.2 -4.7 204 205 A E H X5S+ 0 0 81 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.930 114.8 48.2 -68.9 -43.5 65.9 10.2 -1.7 205 206 A R H <5S+ 0 0 198 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.919 119.4 37.9 -57.4 -44.3 68.1 12.5 -3.9 206 207 A E H <5S+ 0 0 65 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.588 133.4 18.3 -93.3 -12.2 65.3 13.3 -6.4 207 208 A T H <5S- 0 0 8 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.2 0.593 89.8-122.2-127.4 -24.0 62.3 13.5 -4.1 208 209 A G S < S- 0 0 1 -206,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.964 82.2 -99.6-157.5 172.2 59.9 -13.8 -4.3 219 220 A K H > S+ 0 0 10 88,-0.4 4,-2.7 -2,-0.3 5,-0.2 0.869 114.8 52.7 -67.8 -41.4 57.3 -11.1 -3.5 220 221 A V H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 35,-0.2 0.944 114.5 41.5 -63.8 -45.5 56.0 -12.6 -0.2 221 222 A L H > S+ 0 0 1 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.875 113.6 54.0 -68.1 -37.1 59.5 -12.8 1.3 222 223 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -208,-0.3 0.928 110.5 46.3 -62.5 -44.4 60.5 -9.4 -0.1 223 224 A K H X S+ 0 0 65 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.928 114.2 47.4 -61.8 -47.2 57.5 -7.8 1.6 224 225 A L H < S+ 0 0 22 -4,-2.3 3,-0.4 -5,-0.2 4,-0.4 0.941 112.2 51.2 -59.4 -48.0 58.2 -9.6 4.9 225 226 A A H >X S+ 0 0 0 -4,-3.1 3,-1.8 1,-0.2 4,-0.5 0.889 101.7 60.6 -54.1 -44.9 61.8 -8.6 4.6 226 227 A C H >< S+ 0 0 3 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.882 104.4 49.8 -55.0 -41.0 61.0 -4.9 4.0 227 228 A G T 3< S+ 0 0 51 -4,-1.2 3,-0.4 -3,-0.4 -1,-0.3 0.535 90.8 80.4 -75.2 -8.2 59.2 -4.6 7.4 228 229 A L T <4 S+ 0 0 56 -3,-1.8 2,-0.3 -4,-0.4 -1,-0.2 0.806 105.3 22.6 -75.2 -28.6 62.0 -6.2 9.4 229 230 A N S << S- 0 0 41 -3,-0.7 4,-0.4 -4,-0.5 -1,-0.3 -0.768 90.2-167.9-142.2 85.8 64.1 -3.1 9.7 230 231 A K + 0 0 59 -3,-0.4 2,-0.1 -2,-0.3 4,-0.1 -0.912 45.4 45.2-119.4 153.8 62.2 0.2 9.2 231 232 A P S S- 0 0 50 0, 0.0 3,-0.1 0, 0.0 -19,-0.1 0.592 121.6 -15.0 -95.1 170.6 62.6 3.0 8.7 232 233 A N S S+ 0 0 39 1,-0.2 2,-0.3 -2,-0.1 -20,-0.2 0.794 107.7 98.2 59.0 36.6 65.2 4.0 6.1 233 234 A R - 0 0 64 -4,-0.4 -20,-1.4 -7,-0.2 2,-0.3 -0.960 58.7-138.1-145.1 162.8 66.9 0.5 5.9 234 235 A Q E -ef 148 213A 0 -87,-2.6 -85,-2.7 -2,-0.3 2,-0.4 -0.937 11.7-151.6-128.0 153.9 66.8 -2.5 3.7 235 236 A T E -ef 149 214A 0 -22,-2.2 -20,-2.6 -2,-0.3 2,-0.6 -0.980 4.8-150.8-131.9 130.2 66.8 -6.2 4.5 236 237 A L E -ef 150 215A 1 -87,-3.1 -85,-2.2 -2,-0.4 2,-0.6 -0.879 10.9-169.0 -99.3 121.3 68.1 -9.2 2.6 237 238 A V - 0 0 0 -22,-2.5 -20,-0.3 -2,-0.6 2,-0.1 -0.934 11.8-160.3-112.2 106.2 66.3 -12.5 3.3 238 239 A S >> - 0 0 9 -2,-0.6 3,-0.5 -87,-0.3 4,-0.5 -0.350 30.9-111.9 -80.4 162.6 68.1 -15.4 1.8 239 240 A H G >4 S+ 0 0 43 1,-0.2 3,-1.4 2,-0.2 -1,-0.1 0.918 119.6 55.3 -58.0 -40.2 66.6 -18.9 1.1 240 241 A G G 34 S+ 0 0 60 1,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.755 99.4 60.8 -65.9 -25.3 68.8 -20.3 3.9 241 242 A S G <> S+ 0 0 14 -3,-0.5 4,-2.2 1,-0.2 -1,-0.3 0.627 84.6 84.7 -75.3 -13.3 67.4 -17.8 6.4 242 243 A V H S+ 0 0 95 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.921 116.3 37.7 -58.1 -43.3 63.8 -22.1 8.4 244 245 A Q H > S+ 0 0 146 -4,-0.4 4,-0.6 2,-0.2 3,-0.2 0.909 117.5 51.5 -72.6 -41.6 64.9 -20.0 11.5 245 246 A L H >< S+ 0 0 18 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.927 115.0 41.7 -56.7 -45.8 62.9 -16.9 10.4 246 247 A F H >< S+ 0 0 1 -4,-3.2 29,-2.3 1,-0.2 3,-1.2 0.667 93.5 83.1 -79.9 -14.9 59.7 -18.9 10.0 247 248 A S H 3< S+ 0 0 61 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.770 111.5 18.5 -65.5 -25.1 60.2 -21.0 13.2 248 249 A Q T << S+ 0 0 148 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.077 95.0 121.7-127.7 24.1 58.8 -18.2 15.3 249 250 A M < - 0 0 22 -3,-1.2 25,-2.7 -5,-0.0 26,-0.2 -0.797 63.7-126.4 -94.4 115.2 56.9 -16.2 12.7 250 251 A P B > -K 273 0D 29 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.353 18.1-125.4 -59.7 137.2 53.2 -15.9 13.4 251 252 A I G > S+ 0 0 0 21,-1.8 3,-1.8 1,-0.3 6,-0.2 0.845 106.1 65.1 -51.0 -38.9 51.2 -17.0 10.4 252 253 A R G 3 S+ 0 0 146 1,-0.3 -1,-0.3 20,-0.2 4,-0.1 0.627 88.1 70.6 -65.2 -13.5 49.2 -13.7 10.3 253 254 A K G < S+ 0 0 114 -3,-2.0 2,-0.3 4,-0.1 -1,-0.3 0.673 79.1 89.7 -76.1 -17.0 52.4 -11.8 9.4 254 255 A I S X S- 0 0 3 -3,-1.8 3,-2.4 -4,-0.3 4,-0.2 -0.656 94.5 -97.6 -87.8 135.4 52.6 -13.3 6.0 255 256 A R T 3 S+ 0 0 154 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 -0.279 109.3 17.9 -58.7 130.1 50.8 -11.4 3.2 256 257 A S T 3 S+ 0 0 72 -4,-0.1 3,-0.3 -3,-0.0 -1,-0.3 0.183 110.2 79.8 92.6 -11.2 47.3 -12.8 2.5 257 258 A L < + 0 0 1 -3,-2.4 -2,-0.2 -6,-0.2 -3,-0.1 0.220 62.2 95.1-105.1 14.6 47.2 -14.7 5.8 258 259 A G S S+ 0 0 61 -4,-0.2 -1,-0.1 4,-0.1 -6,-0.1 0.519 86.2 40.1 -83.0 -3.1 46.3 -11.8 8.0 259 260 A G S > S- 0 0 47 -3,-0.3 4,-1.7 0, 0.0 5,-0.1 0.055 116.9 -36.5-120.0-138.8 42.5 -12.5 7.8 260 261 A K H > S+ 0 0 192 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.866 128.0 53.8 -65.4 -40.1 40.1 -15.4 7.9 261 262 A L H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.943 109.9 48.0 -59.0 -49.1 42.2 -17.9 6.0 262 263 A G H > S+ 0 0 1 1,-0.2 4,-2.0 -6,-0.2 -1,-0.2 0.864 110.7 51.9 -60.6 -37.7 45.2 -17.4 8.4 263 264 A A H X S+ 0 0 57 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.877 109.4 49.9 -66.0 -36.5 42.8 -17.8 11.4 264 265 A S H X S+ 0 0 39 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.870 106.6 54.7 -73.4 -33.7 41.5 -21.0 9.9 265 266 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 6,-0.4 0.961 112.6 44.3 -59.2 -49.4 45.1 -22.4 9.4 266 267 A I H X>S+ 0 0 59 -4,-2.0 4,-1.3 2,-0.2 5,-0.8 0.939 119.1 42.0 -58.8 -49.5 45.8 -21.7 13.0 267 268 A E H <5S+ 0 0 165 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.953 118.1 41.9 -67.1 -52.8 42.5 -23.2 14.2 268 269 A I H <5S+ 0 0 84 -4,-2.8 -1,-0.2 1,-0.2 -3,-0.2 0.883 124.5 34.4 -64.7 -43.0 42.2 -26.3 12.0 269 270 A L H <5S- 0 0 26 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.629 99.2-130.9 -90.3 -13.6 45.9 -27.4 12.3 270 271 A G T <5 + 0 0 63 -4,-1.3 2,-0.2 -5,-0.3 -3,-0.2 0.901 63.2 125.2 62.8 43.5 46.4 -26.2 15.8 271 272 A I < - 0 0 12 -5,-0.8 -1,-0.2 -6,-0.4 -2,-0.1 -0.787 46.1-164.9-123.9 170.0 49.7 -24.4 15.0 272 273 A E + 0 0 122 -2,-0.2 -21,-1.8 1,-0.2 2,-0.3 0.618 65.6 59.7-122.4 -32.2 51.0 -20.8 15.5 273 274 A Y B > S-K 250 0D 76 -23,-0.2 3,-1.1 -26,-0.1 4,-0.4 -0.781 74.3-123.0-114.0 152.1 54.1 -20.3 13.3 274 275 A M G > S+ 0 0 0 -25,-2.7 3,-1.8 -2,-0.3 4,-0.2 0.861 108.6 59.6 -53.1 -42.8 54.8 -20.5 9.6 275 276 A G G > S+ 0 0 17 -29,-2.3 3,-1.8 1,-0.3 -1,-0.3 0.798 91.1 68.8 -64.2 -27.8 57.5 -23.1 10.0 276 277 A E G X S+ 0 0 75 -3,-1.1 3,-1.2 -30,-0.3 -1,-0.3 0.693 83.7 74.6 -64.4 -17.8 55.1 -25.6 11.6 277 278 A L G X S+ 0 0 0 -3,-1.8 3,-1.7 -4,-0.4 -1,-0.3 0.748 76.3 77.8 -64.1 -23.2 53.3 -25.9 8.2 278 279 A T G < S+ 0 0 43 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.694 80.9 68.3 -63.9 -17.3 56.2 -28.0 6.9 279 280 A Q G < S+ 0 0 155 -3,-1.2 2,-0.3 -4,-0.2 -1,-0.3 0.480 87.0 80.2 -85.0 0.9 54.9 -31.1 8.7 280 281 A F S < S- 0 0 43 -3,-1.7 2,-0.1 -4,-0.1 3,-0.0 -0.778 80.8-118.6-105.1 150.1 51.8 -31.4 6.5 281 282 A T > - 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0 0 17 -2,-0.4 -86,-0.1 -298,-0.1 -84,-0.1 -0.969 23.9-165.5-159.3 138.2 56.4 -18.7 -4.1 306 307 A H + 0 0 119 -2,-0.3 -1,-0.0 -88,-0.1 -88,-0.0 0.403 37.3 134.7-115.2 3.5 55.9 -18.1 -7.8 307 308 A D - 0 0 63 1,-0.1 -88,-0.4 3,-0.0 -87,-0.1 -0.324 55.3-125.7 -56.8 125.8 53.6 -15.1 -8.2 308 309 A P - 0 0 72 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.357 14.1-109.7 -77.2 155.1 55.2 -13.0 -10.9 309 310 A V - 0 0 11 -2,-0.1 -186,-0.1 -198,-0.0 -198,-0.0 -0.758 45.5-138.9 -73.3 108.8 56.1 -9.3 -10.6 310 311 A K - 0 0 68 -2,-0.9 2,-1.8 1,-0.1 -189,-0.1 -0.560 9.7-120.2 -80.4 137.9 53.4 -8.0 -13.0 311 312 A P + 0 0 113 0, 0.0 2,-0.3 0, 0.0 -198,-0.2 -0.567 69.0 122.8 -77.2 85.9 54.4 -5.2 -15.4 312 313 A R B +d 113 0A 68 -2,-1.8 -198,-3.0 -200,-1.2 -2,-0.1 -0.848 25.3 164.6-153.7 110.4 51.9 -2.6 -14.2 313 314 A Q + 0 0 69 -2,-0.3 -200,-0.1 -200,-0.2 -1,-0.1 0.584 64.3 68.3-102.5 -15.7 52.8 0.8 -12.9 314 315 A L S S- 0 0 60 1,-0.0 -200,-0.1 -200,-0.0 -214,-0.0 -0.839 88.8-103.4-109.8 144.2 49.3 2.4 -13.2 315 316 A P - 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