==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 14-JUN-10 2XHB . COMPND 2 MOLECULE: DNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS GORGONARIUS; . AUTHOR T.KILLELEA,S.GHOSH,S.S.TAN,P.HESLOP,S.J.FIRBANK,E.T.KOOL, . 741 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33545.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 525 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 . 55 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 243 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.3 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 1 0 3 1 2 2 1 0 0 3 1 0 2 0 0 0 1 0 1 0 0 0 0 0 1 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 . 3 0 2 7 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 ANTIPARALLEL BRIDGES PER LADDER . 2 3 0 1 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 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 20 0, 0.0 20,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 161.7 14.8 -3.2 -13.6 2 2 A I E +A 20 0A 17 125,-0.5 127,-2.5 18,-0.2 18,-0.2 -0.681 360.0 175.9 -79.8 126.4 18.5 -4.1 -13.3 3 3 A L E - 0 0 4 16,-2.5 334,-0.6 -2,-0.4 335,-0.4 0.796 58.3 -20.3-101.8 -39.6 19.4 -5.0 -9.7 4 4 A D E -A 19 0A 22 15,-1.0 15,-1.9 332,-0.1 -1,-0.4 -0.983 50.1-140.7-162.1 160.3 23.1 -6.1 -9.9 5 5 A T E +A 18 0A 12 -2,-0.3 2,-0.2 13,-0.2 13,-0.2 -0.993 28.3 145.5-127.4 143.2 25.8 -7.3 -12.1 6 6 A D E -A 17 0A 14 11,-1.6 11,-2.3 -2,-0.4 2,-0.3 -0.809 32.3-125.6-143.7-169.9 28.6 -9.9 -11.6 7 7 A Y E -A 16 0A 64 9,-0.3 2,-0.3 -2,-0.2 9,-0.2 -0.984 9.6-157.7-140.6 157.1 30.4 -12.5 -13.8 8 8 A I E -A 15 0A 47 7,-2.3 7,-3.3 -2,-0.3 2,-0.6 -0.925 22.5-120.8-126.5 157.7 31.1 -16.2 -13.8 9 9 A T E +A 14 0A 77 -2,-0.3 2,-0.5 5,-0.2 3,-0.0 -0.885 27.8 175.8-104.8 119.4 33.9 -18.2 -15.6 10 10 A E E > S-A 13 0A 83 3,-2.6 3,-1.5 -2,-0.6 -2,-0.0 -0.977 76.7 -15.9-123.6 118.4 33.0 -20.9 -18.1 11 11 A D T 3 S- 0 0 165 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.872 128.1 -55.0 57.1 42.1 35.8 -22.6 -20.0 12 12 A G T 3 S+ 0 0 38 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.415 116.6 113.8 75.1 -0.3 38.2 -19.8 -19.0 13 13 A K E < -A 10 0A 136 -3,-1.5 -3,-2.6 76,-0.1 2,-0.2 -0.868 68.4-119.2-109.2 136.3 35.8 -17.1 -20.5 14 14 A P E -A 9 0A 10 0, 0.0 2,-0.5 0, 0.0 20,-0.3 -0.522 22.6-163.3 -74.1 132.9 33.9 -14.5 -18.5 15 15 A V E -A 8 0A 4 -7,-3.3 -7,-2.3 -2,-0.2 2,-0.3 -0.971 14.1-139.7-116.4 114.7 30.1 -14.6 -18.6 16 16 A I E -AB 7 31A 1 15,-2.3 15,-1.7 -2,-0.5 2,-0.5 -0.570 13.3-155.9 -71.9 129.8 28.4 -11.4 -17.4 17 17 A R E -AB 6 30A 26 -11,-2.3 -11,-1.6 -2,-0.3 2,-0.7 -0.950 2.7-161.7-108.2 125.3 25.2 -12.1 -15.4 18 18 A I E -AB 5 29A 11 11,-3.0 11,-2.3 -2,-0.5 2,-0.4 -0.897 8.9-152.0-109.2 102.9 22.6 -9.3 -15.3 19 19 A F E +AB 4 28A 2 -15,-1.9 -16,-2.5 -2,-0.7 -15,-1.0 -0.605 25.9 177.8 -74.3 128.2 20.2 -9.8 -12.4 20 20 A K E -AB 2 27A 32 7,-2.3 7,-1.7 -2,-0.4 2,-0.4 -0.930 36.1-156.5-135.2 154.8 16.8 -8.3 -13.2 21 21 A K E + B 0 26A 20 -20,-2.7 2,-0.4 -2,-0.3 5,-0.2 -0.873 34.3 161.8-126.7 96.3 13.3 -7.7 -11.9 22 22 A E E > - B 0 25A 59 3,-1.8 3,-1.8 -2,-0.4 111,-0.1 -0.968 64.6 -6.9-120.9 134.3 11.0 -7.2 -15.0 23 23 A N T 3 S- 0 0 137 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.817 128.4 -56.8 54.5 35.4 7.2 -7.5 -15.1 24 24 A G T 3 S+ 0 0 49 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.192 116.2 105.9 86.6 -16.8 7.2 -8.9 -11.5 25 25 A E E < -B 22 0A 114 -3,-1.8 -3,-1.8 2,-0.0 2,-0.6 -0.750 67.1-129.3-103.5 145.8 9.6 -11.8 -12.2 26 26 A F E +B 21 0A 48 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.819 36.6 170.3 -89.1 120.4 13.2 -12.2 -11.2 27 27 A K E -B 20 0A 66 -7,-1.7 -7,-2.3 -2,-0.6 2,-0.6 -0.983 29.4-142.7-133.2 147.4 15.4 -13.3 -14.2 28 28 A I E -B 19 0A 31 -2,-0.3 2,-0.2 -9,-0.2 -9,-0.2 -0.933 19.5-166.8-104.9 110.9 19.1 -13.6 -14.9 29 29 A D E -B 18 0A 59 -11,-2.3 -11,-3.0 -2,-0.6 2,-0.3 -0.615 9.9-146.8 -88.4 159.0 20.2 -12.5 -18.4 30 30 A Y E -B 17 0A 121 -13,-0.2 2,-0.3 -2,-0.2 -13,-0.2 -0.885 13.6-165.3-126.9 153.4 23.7 -13.4 -19.7 31 31 A D E +B 16 0A 47 -15,-1.7 -15,-2.3 -2,-0.3 3,-0.2 -0.960 6.8 177.7-142.0 126.5 26.2 -11.8 -22.0 32 32 A R + 0 0 144 -2,-0.3 -1,-0.1 -17,-0.2 -2,-0.0 0.396 69.4 59.7-111.5 -2.1 29.1 -13.9 -23.4 33 33 A N + 0 0 146 -17,-0.1 2,-0.5 2,-0.1 -1,-0.1 -0.052 65.1 119.3-126.0 35.2 31.0 -11.5 -25.7 34 34 A F - 0 0 28 -20,-0.3 86,-0.1 -3,-0.2 -3,-0.0 -0.881 49.0-154.0 -97.8 129.3 32.1 -8.6 -23.5 35 35 A E - 0 0 64 -2,-0.5 53,-0.1 54,-0.0 54,-0.1 -0.863 11.1-126.6-110.9 132.0 35.9 -8.3 -23.4 36 36 A P + 0 0 5 0, 0.0 51,-2.2 0, 0.0 2,-0.3 -0.429 38.9 168.5 -66.5 150.3 38.1 -6.8 -20.7 37 37 A Y E -C 86 0B 15 49,-0.2 2,-0.3 74,-0.1 49,-0.2 -0.985 23.1-163.4-156.3 159.2 40.5 -4.1 -21.8 38 38 A I E -C 85 0B 0 47,-2.1 47,-2.5 -2,-0.3 2,-0.3 -0.826 23.9-118.3-130.5 177.3 42.9 -1.4 -20.6 39 39 A Y E -CD 84 110B 4 71,-2.4 71,-2.0 -2,-0.3 2,-0.3 -0.858 22.0-167.7-117.6 157.4 44.5 1.6 -22.3 40 40 A A E -CD 83 109B 0 43,-1.2 43,-3.3 -2,-0.3 2,-0.5 -0.988 15.6-145.9-148.8 129.5 48.2 2.4 -23.0 41 41 A L E - D 0 108B 40 67,-2.1 66,-2.2 -2,-0.3 67,-0.8 -0.878 24.6-159.5 -92.9 123.8 50.1 5.5 -24.1 42 42 A L E - D 0 106B 15 -2,-0.5 64,-0.2 39,-0.4 3,-0.2 -0.879 23.2-151.8-108.2 139.3 53.1 4.5 -26.2 43 43 A K S S+ 0 0 159 62,-3.2 2,-0.4 -2,-0.4 -1,-0.1 0.816 96.3 24.7 -65.2 -33.3 56.2 6.7 -27.0 44 44 A D > - 0 0 93 61,-0.5 3,-1.9 1,-0.1 -1,-0.3 -0.940 65.7-155.4-144.0 110.9 56.6 4.8 -30.3 45 45 A D G > S+ 0 0 70 -2,-0.4 3,-1.4 1,-0.3 4,-0.2 0.694 91.2 73.9 -58.8 -23.0 53.7 3.1 -32.1 46 46 A S G > S+ 0 0 96 1,-0.2 3,-0.6 2,-0.1 -1,-0.3 0.761 88.0 62.2 -62.2 -25.1 56.2 0.8 -33.8 47 47 A A G <> S+ 0 0 18 -3,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.373 71.5 98.3 -84.2 4.1 56.6 -1.1 -30.5 48 48 A I H <> S+ 0 0 10 -3,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.827 79.4 56.0 -64.1 -30.2 52.9 -2.3 -30.3 49 49 A E H <> S+ 0 0 123 -3,-0.6 4,-0.6 2,-0.2 -1,-0.2 0.897 108.6 45.5 -70.0 -40.6 53.8 -5.7 -31.7 50 50 A D H >4 S+ 0 0 91 -4,-0.2 3,-0.6 2,-0.2 4,-0.3 0.864 112.0 53.1 -68.6 -34.5 56.4 -6.3 -28.9 51 51 A V H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.886 103.6 56.7 -64.7 -39.0 53.9 -5.1 -26.4 52 52 A K H 3< S+ 0 0 69 -4,-2.3 13,-0.5 1,-0.2 -1,-0.2 0.690 102.8 57.4 -62.0 -19.7 51.4 -7.6 -27.9 53 53 A K T << S+ 0 0 167 -3,-0.6 -1,-0.2 -4,-0.6 2,-0.2 0.505 76.0 118.1 -90.1 -6.6 54.0 -10.3 -27.0 54 54 A I < - 0 0 22 -3,-1.3 11,-0.7 -4,-0.3 2,-0.2 -0.457 47.2-170.7 -62.7 126.5 54.2 -9.4 -23.3 55 55 A T E -G 64 0C 57 -2,-0.2 2,-0.3 9,-0.1 9,-0.2 -0.736 13.1-178.5-116.4 164.7 53.0 -12.5 -21.3 56 56 A A E -G 63 0C 7 7,-1.8 7,-3.2 -2,-0.2 2,-0.4 -0.968 25.4-113.0-153.8 166.0 52.2 -13.3 -17.7 57 57 A E E -G 62 0C 133 -2,-0.3 2,-0.4 38,-0.3 5,-0.2 -0.878 20.9-176.0-108.7 136.0 51.1 -16.2 -15.5 58 58 A R E > S-G 61 0C 57 3,-2.6 3,-0.9 -2,-0.4 34,-0.0 -0.933 81.8 -30.1-131.7 107.5 47.7 -16.6 -13.8 59 59 A H T 3 S- 0 0 190 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.906 126.2 -50.6 44.2 47.3 47.5 -19.8 -11.6 60 60 A G T 3 S+ 0 0 73 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.754 115.5 123.7 65.2 26.5 49.9 -21.3 -14.0 61 61 A T E < -G 58 0C 74 -3,-0.9 -3,-2.6 0, 0.0 2,-0.4 -0.955 67.7-110.0-119.3 139.3 47.8 -20.3 -17.1 62 62 A T E -G 57 0C 71 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.539 31.4-165.7 -79.6 122.9 49.3 -18.2 -19.8 63 63 A V E +G 56 0C 1 -7,-3.2 -7,-1.8 -2,-0.4 2,-0.3 -0.867 17.2 160.4-107.5 139.0 48.0 -14.6 -20.0 64 64 A R E -G 55 0C 132 -2,-0.4 2,-0.7 -9,-0.2 24,-0.3 -0.971 47.8 -88.9-153.3 162.8 48.6 -12.5 -23.1 65 65 A V - 0 0 8 -11,-0.7 22,-0.2 -13,-0.5 3,-0.1 -0.713 36.7-172.1 -77.8 114.0 47.4 -9.4 -25.1 66 66 A V + 0 0 58 20,-1.5 2,-0.3 -2,-0.7 21,-0.2 0.872 63.2 1.8 -76.9 -40.3 44.7 -10.7 -27.4 67 67 A R E -E 86 0B 89 19,-0.8 19,-2.6 2,-0.0 2,-0.4 -0.997 54.5-157.7-152.5 149.4 44.2 -7.6 -29.5 68 68 A A E +E 85 0B 21 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.998 13.0 176.2-133.6 130.8 45.4 -4.0 -29.9 69 69 A E E -E 84 0B 91 15,-1.6 15,-2.9 -2,-0.4 2,-0.2 -0.995 27.5-128.5-138.0 125.4 43.5 -1.1 -31.5 70 70 A K E -E 83 0B 74 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.529 32.4-174.4 -74.4 140.3 44.7 2.5 -31.7 71 71 A V E -E 82 0B 26 11,-2.8 11,-2.0 -2,-0.2 2,-0.6 -0.999 24.0-137.7-144.3 138.7 42.1 5.0 -30.5 72 72 A K E +E 81 0B 81 -2,-0.3 9,-0.2 9,-0.2 2,-0.2 -0.871 38.0 158.1-100.6 117.1 41.8 8.8 -30.3 73 73 A K E -E 80 0B 16 7,-3.0 7,-3.1 -2,-0.6 2,-0.4 -0.654 40.1-109.4-125.5 179.9 40.5 10.0 -27.0 74 74 A K E -Ef 79 362B 114 287,-1.8 289,-2.4 5,-0.3 2,-0.5 -0.982 23.1-165.2-116.7 130.2 40.5 13.2 -25.0 75 75 A F S S- 0 0 43 3,-3.3 3,-0.3 -2,-0.4 289,-0.1 -0.956 76.8 -23.5-118.5 111.3 42.5 13.4 -21.8 76 76 A L S S- 0 0 52 -2,-0.5 -1,-0.2 287,-0.5 288,-0.0 0.916 129.5 -46.9 51.3 50.3 41.6 16.4 -19.5 77 77 A G S S+ 0 0 20 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.744 121.8 99.8 69.0 26.4 40.2 18.4 -22.5 78 78 A R S S- 0 0 80 -3,-0.3 -3,-3.3 2,-0.0 -1,-0.2 -0.993 79.8-101.9-142.2 134.9 43.1 17.7 -24.8 79 79 A P E - E 0 74B 120 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.241 40.6-177.7 -57.9 139.2 43.4 15.1 -27.6 80 80 A I E - E 0 73B 25 -7,-3.1 -7,-3.0 2,-0.0 2,-0.7 -0.997 19.9-146.7-141.5 135.6 45.4 11.9 -26.7 81 81 A E E + E 0 72B 118 -2,-0.3 -39,-0.4 -9,-0.2 2,-0.2 -0.898 32.9 159.7-106.8 109.0 46.3 8.9 -28.9 82 82 A V E - E 0 71B 0 -11,-2.0 -11,-2.8 -2,-0.7 2,-0.5 -0.698 39.1-111.2-120.2 172.0 46.4 5.6 -26.9 83 83 A W E -CE 40 70B 34 -43,-3.3 -43,-1.2 -13,-0.2 2,-0.8 -0.947 20.0-142.8-109.3 120.8 46.2 1.9 -27.6 84 84 A K E -CE 39 69B 36 -15,-2.9 -15,-1.6 -2,-0.5 2,-0.6 -0.735 20.7-159.8 -79.7 108.9 43.2 -0.1 -26.4 85 85 A L E -CE 38 68B 0 -47,-2.5 -47,-2.1 -2,-0.8 -17,-0.2 -0.844 3.9-156.4 -98.9 116.8 44.6 -3.4 -25.3 86 86 A Y E -CE 37 67B 26 -19,-2.6 -20,-1.5 -2,-0.6 -19,-0.8 -0.537 10.4-174.8 -89.2 155.8 42.1 -6.3 -25.0 87 87 A F - 0 0 0 -51,-2.2 -22,-0.1 -22,-0.2 -24,-0.0 -0.822 29.3-122.3-137.7 177.1 42.4 -9.5 -22.9 88 88 A T S S+ 0 0 69 -24,-0.3 -1,-0.1 -2,-0.2 -23,-0.0 0.911 90.6 24.7 -90.0 -53.7 40.4 -12.8 -22.4 89 89 A H S > S- 0 0 4 -76,-0.1 3,-1.4 -54,-0.1 4,-0.3 -0.851 71.1-127.9-115.8 149.5 39.6 -12.8 -18.7 90 90 A P T > S+ 0 0 17 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.804 110.0 65.1 -65.0 -25.6 39.2 -9.9 -16.3 91 91 A Q T 3> S+ 0 0 94 1,-0.3 4,-0.5 2,-0.2 0, 0.0 0.622 88.2 70.2 -70.2 -14.0 41.6 -11.7 -14.0 92 92 A D H <> S+ 0 0 6 -3,-1.4 4,-1.9 1,-0.1 5,-0.3 0.748 84.8 71.6 -69.5 -25.8 44.3 -11.3 -16.7 93 93 A V H <> S+ 0 0 18 -3,-1.3 4,-2.7 -4,-0.3 3,-0.4 0.957 100.4 38.2 -61.7 -56.8 44.4 -7.5 -16.0 94 94 A P H 4 S+ 0 0 60 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.664 116.5 54.9 -72.2 -12.7 46.1 -7.5 -12.6 95 95 A A H < S+ 0 0 36 -4,-0.5 -38,-0.3 -3,-0.2 -2,-0.2 0.823 123.4 22.9 -83.1 -35.2 48.4 -10.3 -13.7 96 96 A I H >X S+ 0 0 1 -4,-1.9 4,-1.4 -3,-0.4 3,-0.6 0.584 98.0 95.6-108.2 -18.2 49.8 -8.6 -16.8 97 97 A R H >X S+ 0 0 61 -4,-2.7 4,-1.5 -5,-0.3 3,-0.6 0.854 86.4 42.8 -34.9 -61.4 49.1 -4.9 -15.9 98 98 A D H 3> S+ 0 0 85 -4,-0.3 4,-2.8 1,-0.3 -1,-0.2 0.743 107.1 58.8 -76.3 -25.5 52.5 -4.0 -14.6 99 99 A K H <> S+ 0 0 66 -3,-0.6 4,-0.6 2,-0.2 -1,-0.3 0.817 105.6 51.4 -70.4 -32.1 54.6 -5.7 -17.2 100 100 A I H << S+ 0 0 0 -4,-1.4 3,-0.5 -3,-0.6 -2,-0.2 0.904 114.2 43.0 -69.4 -42.9 52.9 -3.6 -19.9 101 101 A K H < S+ 0 0 89 -4,-1.5 -2,-0.2 1,-0.2 5,-0.2 0.905 108.4 58.6 -67.5 -43.6 53.7 -0.4 -17.9 102 102 A E H < S+ 0 0 149 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.677 82.3 108.3 -58.6 -19.4 57.3 -1.7 -17.2 103 103 A H S >< S- 0 0 29 -4,-0.6 3,-1.3 -3,-0.5 -3,-0.0 -0.414 76.1-132.7 -61.7 135.2 57.8 -1.8 -21.0 104 104 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -61,-0.1 0.773 103.8 52.3 -68.9 -27.2 60.1 1.0 -22.0 105 105 A A T 3 S+ 0 0 14 -58,-0.1 -62,-3.2 -63,-0.1 2,-0.7 0.596 94.2 85.0 -78.4 -13.6 57.9 2.1 -24.9 106 106 A V E < -D 42 0B 8 -3,-1.3 -64,-0.2 -64,-0.2 3,-0.1 -0.822 56.2-171.4 -98.5 115.0 54.8 2.4 -22.7 107 107 A V E - 0 0 71 -66,-2.2 2,-0.3 -2,-0.7 -1,-0.2 0.919 65.6 -37.1 -71.6 -46.2 54.6 5.7 -20.8 108 108 A D E -D 41 0B 43 -67,-0.8 -67,-2.1 -8,-0.0 2,-0.3 -0.958 55.8-117.8-165.0 171.6 51.7 4.7 -18.6 109 109 A I E -D 40 0B 4 -2,-0.3 2,-0.3 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66.2-107.5 -73.7 166.6 23.0 2.6 18.0 271 275 A L H > S+ 0 0 13 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.834 121.2 45.8 -65.9 -31.5 19.8 1.3 16.5 272 276 A E H > S+ 0 0 20 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.931 113.1 47.8 -76.7 -47.5 17.8 3.2 19.2 273 277 A A H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.941 114.9 46.1 -57.6 -50.8 19.8 6.5 18.7 274 278 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.935 114.2 47.6 -57.8 -49.6 19.5 6.3 14.9 275 279 A Y H X S+ 0 0 16 -4,-1.7 4,-2.3 -5,-0.2 6,-0.4 0.813 112.8 50.2 -61.7 -31.5 15.7 5.5 15.1 276 280 A E H X S+ 0 0 91 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.875 109.5 50.1 -75.0 -38.5 15.2 8.3 17.6 277 281 A A H < S+ 0 0 60 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.828 120.3 35.9 -67.3 -33.3 17.1 10.9 15.4 278 282 A I H < S+ 0 0 50 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.892 132.0 23.0 -87.6 -45.2 15.0 9.9 12.4 279 283 A F H < S- 0 0 78 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.371 92.7-127.6-110.3 0.8 11.5 9.2 13.8 280 284 A G S < S+ 0 0 62 -4,-1.4 -4,-0.2 -5,-0.2 -3,-0.1 0.884 70.3 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0 700I 0 -2,-0.3 25,-3.3 -43,-0.3 11,-0.2 -0.848 22.9-156.1-103.5 111.2 47.3 2.2 34.8 690 704 A L B -X 713 0J 28 9,-1.5 23,-0.3 -2,-0.7 24,-0.1 -0.385 27.6-100.8 -76.7 159.7 49.2 1.9 38.1 691 705 A K S S+ 0 0 122 21,-2.6 2,-0.3 22,-0.1 -1,-0.1 -0.250 72.0 55.5 -79.4 168.3 51.0 4.9 39.5 692 706 A G S S- 0 0 51 21,-0.1 2,-0.1 2,-0.0 7,-0.1 -0.737 84.6 -28.2 118.1-160.3 54.7 5.6 39.4 693 707 A S S S+ 0 0 115 -2,-0.3 2,-0.1 5,-0.1 0, 0.0 -0.363 82.8 68.3 -89.6 171.6 57.5 6.1 36.9 694 708 A G S S- 0 0 44 -2,-0.1 2,-0.1 4,-0.1 -2,-0.0 -0.220 88.8 -54.1 104.9 162.8 57.8 4.5 33.4 695 709 A R >> - 0 0 182 1,-0.1 4,-1.6 -2,-0.1 3,-1.0 -0.424 59.3-105.5 -66.3 151.0 55.9 4.8 30.2 696 710 A I H >> S+ 0 0 44 1,-0.3 4,-1.5 2,-0.2 3,-0.6 0.899 125.2 54.2 -44.8 -46.6 52.1 4.2 30.5 697 711 A G H 34 S+ 0 0 10 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.848 105.1 52.3 -56.1 -38.9 52.7 0.8 28.9 698 712 A D H <4 S+ 0 0 82 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.786 116.1 40.6 -68.0 -29.6 55.3 -0.1 31.5 699 713 A R H << S+ 0 0 44 -4,-1.6 -9,-1.5 -3,-0.6 2,-0.2 0.585 93.6 101.5 -93.6 -17.5 52.9 0.8 34.3 700 714 A A E < +W 689 0I 1 -4,-1.5 -11,-0.2 -5,-0.3 -5,-0.0 -0.524 46.9 179.5 -76.1 135.6 49.8 -0.7 32.8 701 715 A I E -W 688 0I 27 -13,-2.3 -13,-2.6 -2,-0.2 2,-0.1 -0.893 36.6 -92.2-125.1 162.0 48.6 -4.1 34.0 702 716 A P E -W 687 0I 12 0, 0.0 3,-0.5 0, 0.0 -15,-0.3 -0.483 28.8-130.0 -70.5 145.9 45.6 -6.2 33.0 703 717 A F S > S+ 0 0 49 -17,-2.9 3,-0.8 1,-0.2 -16,-0.1 0.743 108.9 61.9 -69.9 -22.5 42.5 -5.6 35.1 704 718 A D T 3 S+ 0 0 137 -18,-0.4 -1,-0.2 1,-0.2 -17,-0.1 0.868 106.7 45.7 -65.3 -37.5 42.2 -9.4 35.6 705 719 A E T 3 S+ 0 0 85 -3,-0.5 2,-0.2 2,-0.0 -1,-0.2 0.345 92.7 115.2 -86.0 4.9 45.5 -9.2 37.4 706 720 A F < - 0 0 24 -3,-0.8 -3,-0.0 -4,-0.1 -19,-0.0 -0.559 44.2-169.8 -83.2 140.4 44.5 -6.2 39.4 707 721 A D > - 0 0 78 -2,-0.2 4,-1.7 1,-0.1 -2,-0.0 -0.971 14.4-154.1-129.5 113.2 44.2 -6.2 43.2 708 722 A P T 4 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.847 96.1 48.3 -52.2 -39.5 42.5 -3.2 44.9 709 723 A A T 4 S+ 0 0 91 1,-0.1 -2,-0.0 3,-0.1 0, 0.0 0.933 121.9 30.7 -69.4 -48.1 44.4 -3.9 48.2 710 724 A K T 4 S+ 0 0 87 2,-0.0 2,-0.1 0, 0.0 -1,-0.1 0.988 111.9 57.6 -76.6 -63.8 47.9 -4.3 46.7 711 725 A H < - 0 0 58 -4,-1.7 2,-0.5 1,-0.0 -5,-0.0 -0.367 63.7-151.9 -79.6 148.4 48.1 -2.1 43.6 712 726 A K - 0 0 71 -21,-0.1 -21,-2.6 -2,-0.1 -3,-0.1 -0.974 18.2-135.3-120.5 116.3 47.5 1.7 43.5 713 727 A Y B -X 690 0J 10 -2,-0.5 2,-1.2 -23,-0.3 -23,-0.3 -0.099 30.6 -93.4 -67.3 168.2 46.1 3.1 40.2 714 728 A D > + 0 0 12 -25,-3.3 4,-2.2 1,-0.2 5,-0.2 -0.678 39.7 178.0 -91.0 91.3 47.5 6.3 38.7 715 729 A A H > S+ 0 0 11 -2,-1.2 4,-2.5 1,-0.2 5,-0.2 0.919 82.5 53.9 -55.9 -47.9 45.3 9.2 39.9 716 730 A E H > S+ 0 0 126 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.901 109.7 48.4 -54.5 -44.8 47.5 11.8 38.1 717 731 A Y H >>S+ 0 0 24 2,-0.2 4,-3.0 1,-0.2 5,-0.7 0.935 111.7 47.0 -64.1 -48.7 47.0 9.9 34.8 718 732 A Y H <>S+ 0 0 0 -4,-2.2 5,-3.1 3,-0.2 4,-0.4 0.845 119.2 42.3 -67.2 -32.0 43.2 9.5 35.1 719 733 A I H <>S+ 0 0 14 -4,-2.5 5,-2.5 -5,-0.2 -2,-0.2 0.978 126.7 29.5 -68.6 -60.2 42.9 13.2 36.0 720 734 A E H <5S+ 0 0 37 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.800 131.0 32.0 -79.1 -32.6 45.3 14.6 33.5 721 735 A N T <5S+ 0 0 84 -4,-3.0 -3,-0.2 -5,-0.4 -1,-0.2 0.578 132.8 18.3-101.5 -11.4 45.1 12.1 30.6 722 736 A Q T >>> S+ 0 0 91 -4,-0.5 4,-1.0 -5,-0.3 -1,-0.2 0.935 113.1 46.6 -67.1 -50.3 37.7 21.8 25.9 730 744 A I H >4 S+ 0 0 1 1,-0.2 3,-0.8 -4,-0.2 -1,-0.2 0.941 117.3 44.3 -52.5 -51.7 33.9 22.1 26.6 731 745 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.0 1,-0.2 3,-1.6 0.683 99.2 71.0 -73.7 -18.2 34.5 24.2 29.7 732 746 A R H ><5S+ 0 0 55 -4,-1.5 3,-1.9 -5,-0.3 -1,-0.2 0.862 88.8 64.0 -64.6 -34.0 37.1 26.4 27.9 733 747 A A T <<5S+ 0 0 8 -4,-1.0 -352,-2.3 -3,-0.8 -1,-0.3 0.405 103.0 49.8 -68.6 1.5 34.2 27.9 25.9 734 748 A F T < 5S- 0 0 31 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.089 125.5 -99.3-123.1 19.3 32.9 29.2 29.2 735 749 A G T < 5S+ 0 0 44 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.654 80.0 134.6 74.2 17.5 36.2 30.8 30.4 736 750 A Y < - 0 0 55 -5,-2.0 -1,-0.2 -8,-0.1 2,-0.2 -0.882 36.9-161.3-101.2 128.5 37.2 27.9 32.7 737 751 A R >> - 0 0 172 -2,-0.5 3,-2.3 -3,-0.1 4,-0.7 -0.624 36.3-100.9-101.6 162.9 40.8 26.6 32.5 738 752 A K H >> S+ 0 0 79 1,-0.3 3,-2.0 -2,-0.2 4,-1.1 0.885 121.9 62.9 -45.8 -45.5 42.3 23.3 33.7 739 753 A E H 34 S+ 0 0 75 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.728 100.1 53.4 -56.3 -24.9 43.6 25.1 36.8 740 754 A D H <4 S+ 0 0 74 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.683 109.0 50.3 -78.9 -19.8 39.9 25.9 37.8 741 755 A L H << S+ 0 0 0 -3,-2.0 -108,-0.3 -4,-0.7 -2,-0.2 0.629 91.8 87.1 -98.0 -18.2 39.0 22.2 37.5 742 756 A R < 0 0 104 -4,-1.1 -112,-0.1 -109,-0.1 -108,-0.1 -0.406 360.0 360.0 -87.3 164.3 41.7 20.5 39.6 743 757 A Y 0 0 173 -2,-0.1 -2,-0.1 -110,-0.1 -1,-0.1 -0.827 360.0 360.0-110.0 360.0 41.7 19.9 43.4