==== 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 STRUCTURAL GENOMICS,UNKNOWN FUNCTION 23-JUN-03 1PT8 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YFDW; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI, SHIGELLA FLEXNERI; . AUTHOR A.GRUEZ,V.ROIG-ZAMBONI,C.VALENCIA,V.CAMPANACCI,C.CAMBILLAU . 831 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29316.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 561 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 5.3 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 52 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.2 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 7 2 2 7 5 2 0 2 2 4 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 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 . 2 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 2 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 0 173 0, 0.0 605,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.6 3.7 84.9 15.4 2 2 A S + 0 0 28 1,-0.1 600,-0.1 600,-0.1 28,-0.0 0.423 360.0 100.3-169.7 134.8 1.3 85.7 14.0 3 3 A T > - 0 0 37 27,-0.1 3,-1.3 376,-0.1 -1,-0.1 -0.940 58.9-107.4-133.3 156.9 -1.0 87.8 11.9 4 4 A P T 3 S+ 0 0 2 0, 0.0 26,-0.2 0, 0.0 600,-0.1 0.770 116.3 32.0 -54.2 -36.0 -1.8 87.5 8.2 5 5 A L T > S+ 0 0 1 24,-2.6 3,-2.4 21,-0.1 27,-0.2 -0.005 79.7 152.2-119.5 23.3 0.2 90.6 7.0 6 6 A Q T < S+ 0 0 75 -3,-1.3 25,-0.2 1,-0.3 3,-0.1 -0.356 73.3 19.0 -51.9 127.3 3.0 90.5 9.6 7 7 A G T 3 S+ 0 0 73 23,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.347 93.2 130.6 89.1 -6.9 6.0 92.2 8.1 8 8 A I < - 0 0 25 -3,-2.4 24,-3.2 22,-0.1 2,-0.5 -0.654 45.1-152.3 -82.9 134.6 4.0 93.9 5.3 9 9 A K E -a 32 0A 40 -2,-0.3 82,-2.2 22,-0.2 83,-1.9 -0.937 10.7-166.7-111.1 127.9 4.7 97.6 4.9 10 10 A V E -ab 33 92A 0 22,-2.9 24,-3.0 -2,-0.5 2,-0.7 -0.936 15.2-153.9-120.3 128.6 2.0 100.0 3.6 11 11 A L E -ab 34 93A 1 81,-2.9 83,-3.0 -2,-0.5 2,-0.8 -0.900 18.4-163.5 -97.9 111.1 2.3 103.5 2.4 12 12 A D E +ab 35 94A 0 22,-2.6 24,-2.2 -2,-0.7 83,-0.2 -0.812 26.4 160.3-104.8 95.4 -1.0 105.1 2.9 13 13 A F + 0 0 9 81,-2.9 83,-0.2 -2,-0.8 82,-0.2 0.444 41.8 123.8 -83.6 0.0 -1.6 108.3 0.9 14 14 A T - 0 0 4 80,-0.5 2,-0.3 5,-0.1 29,-0.1 -0.265 38.5-172.1 -75.8 151.2 -5.4 108.0 1.2 15 15 A G > + 0 0 16 81,-0.1 4,-0.6 28,-0.1 2,-0.3 -0.834 50.7 13.3-128.5 170.7 -7.9 110.5 2.7 16 16 A V T 4 S- 0 0 36 -2,-0.3 649,-0.0 1,-0.2 27,-0.0 -0.519 108.8 -49.0 66.8-122.2 -11.6 110.6 3.6 17 17 A Q T > S+ 0 0 1 -2,-0.3 4,-2.2 3,-0.1 5,-0.2 0.797 118.0 59.9-121.0 -45.8 -13.3 107.2 3.6 18 18 A S H > S+ 0 0 6 2,-0.2 4,-1.2 1,-0.2 -2,-0.1 0.970 115.7 32.2 -58.9 -58.1 -12.7 104.9 0.6 19 19 A G H X S+ 0 0 0 -4,-0.6 4,-1.9 1,-0.2 5,-0.2 0.931 118.9 53.2 -67.2 -45.7 -8.9 104.6 0.8 20 20 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.850 103.6 56.2 -59.4 -36.0 -8.7 104.8 4.6 21 21 A S H X S+ 0 0 3 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.898 108.6 50.0 -59.0 -39.6 -11.2 102.0 5.2 22 22 A C H X S+ 0 0 0 -4,-1.2 4,-1.8 -5,-0.2 -1,-0.2 0.941 113.3 42.5 -62.8 -50.1 -9.0 99.8 3.1 23 23 A T H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.786 107.4 61.5 -77.6 -23.6 -5.7 100.6 4.9 24 24 A Q H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.959 106.0 46.5 -61.3 -49.7 -7.3 100.4 8.3 25 25 A M H X S+ 0 0 2 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.903 108.4 56.2 -56.0 -45.3 -8.2 96.7 7.6 26 26 A L H <>S+ 0 0 0 -4,-1.8 5,-2.3 1,-0.2 -1,-0.2 0.902 108.8 47.5 -51.7 -44.9 -4.6 96.2 6.4 27 27 A A H ><5S+ 0 0 9 -4,-2.0 3,-1.8 3,-0.2 -2,-0.2 0.896 109.6 52.0 -63.3 -44.3 -3.3 97.5 9.8 28 28 A W H 3<5S+ 0 0 5 -4,-2.2 354,-0.3 1,-0.3 -1,-0.2 0.828 105.4 57.2 -63.3 -30.2 -5.8 95.2 11.7 29 29 A F T 3<5S- 0 0 0 -4,-2.0 -24,-2.6 -5,-0.2 -1,-0.3 0.394 132.5 -91.3 -79.1 0.1 -4.5 92.3 9.7 30 30 A G T < 5S+ 0 0 28 -3,-1.8 -23,-0.5 1,-0.3 -3,-0.2 0.329 79.0 138.8 111.4 -6.5 -0.9 93.0 10.9 31 31 A A < - 0 0 8 -5,-2.3 2,-0.9 -6,-0.2 -1,-0.3 -0.362 57.5-120.3 -73.1 149.2 0.5 95.4 8.3 32 32 A D E -a 9 0A 48 -24,-3.2 -22,-2.9 -27,-0.2 2,-0.7 -0.809 35.6-162.1 -85.7 108.5 2.6 98.4 9.4 33 33 A V E -a 10 0A 0 -2,-0.9 35,-3.1 33,-0.4 2,-0.8 -0.856 9.7-165.4-104.3 113.1 0.6 101.2 7.9 34 34 A I E -ac 11 68A 0 -24,-3.0 -22,-2.6 -2,-0.7 2,-0.6 -0.833 9.0-154.5 -96.9 102.0 2.3 104.6 7.4 35 35 A K E -ac 12 69A 1 33,-3.0 35,-2.5 -2,-0.8 2,-0.5 -0.702 7.6-150.9 -74.3 116.1 -0.3 107.3 6.8 36 36 A I E - c 0 70A 13 -24,-2.2 2,-0.3 -2,-0.6 35,-0.2 -0.795 23.0-177.0 -92.9 119.5 1.4 110.2 4.8 37 37 A E E - c 0 71A 7 33,-2.9 35,-2.8 -2,-0.5 3,-0.1 -0.910 33.3-100.1-126.7 149.2 -0.3 113.4 5.6 38 38 A R >> - 0 0 177 -2,-0.3 4,-2.3 33,-0.2 3,-1.8 -0.478 53.8-101.9 -63.9 127.7 0.0 117.1 4.5 39 39 A P T 34 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 377,-0.0 -0.252 100.4 1.6 -55.6 131.9 2.0 119.0 7.1 40 40 A G T 34 S+ 0 0 65 1,-0.2 -2,-0.1 -3,-0.1 349,-0.0 0.382 135.4 54.8 75.1 -5.0 0.0 121.1 9.5 41 41 A V T <4 S+ 0 0 57 -3,-1.8 -1,-0.2 5,-0.0 5,-0.1 0.657 73.3 177.2-122.6 -62.2 -3.2 119.9 7.8 42 42 A G < - 0 0 7 -4,-2.3 5,-0.1 4,-0.1 -5,-0.1 -0.058 53.7 -16.5 73.1 173.3 -3.5 116.1 7.7 43 43 A D > - 0 0 13 1,-0.1 3,-2.1 -29,-0.1 4,-0.3 -0.224 67.1-124.0 -44.8 129.9 -6.4 114.0 6.4 44 44 A V G > S+ 0 0 63 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.780 105.8 71.3 -53.9 -30.6 -9.5 116.3 6.0 45 45 A T G 3 S+ 0 0 0 1,-0.3 15,-0.8 2,-0.2 3,-0.3 0.688 82.0 72.6 -64.4 -17.8 -11.5 113.9 8.3 46 46 A R G < S+ 0 0 2 -3,-2.1 11,-1.7 1,-0.2 -1,-0.3 0.822 110.3 30.8 -58.8 -33.3 -9.5 115.1 11.3 47 47 A H S X S+ 0 0 98 -3,-1.6 2,-0.7 -4,-0.3 3,-0.5 0.358 95.0 109.1-106.2 0.0 -11.4 118.4 11.0 48 48 A Q T 3 S- 0 0 25 -4,-0.5 11,-0.5 -3,-0.3 12,-0.2 -0.727 95.0 -17.7 -92.4 118.6 -14.8 117.3 9.6 49 49 A L T 3 S- 0 0 39 -2,-0.7 9,-0.3 1,-0.2 -1,-0.2 0.917 80.3-164.4 58.2 48.9 -17.8 117.4 12.0 50 50 A R < - 0 0 74 -3,-0.5 -1,-0.2 1,-0.1 7,-0.1 -0.381 19.1-171.9 -57.8 134.6 -15.9 117.6 15.2 51 51 A D S S+ 0 0 13 1,-0.2 -1,-0.1 -2,-0.1 6,-0.1 0.569 80.1 47.8-101.8 -18.0 -17.9 116.8 18.3 52 52 A I S > S- 0 0 43 3,-0.2 3,-1.2 4,-0.1 -1,-0.2 -0.997 98.5-111.1-120.9 126.1 -15.1 117.9 20.6 53 53 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.225 89.9 0.6 -54.6 140.1 -13.3 121.2 19.9 54 54 A D T 3 S+ 0 0 139 1,-0.1 2,-0.3 -7,-0.1 -7,-0.0 0.438 107.9 93.3 68.5 2.2 -9.7 121.1 18.6 55 55 A I S < S- 0 0 33 -3,-1.2 -3,-0.2 1,-0.1 -1,-0.1 -0.847 88.3 -67.2-123.0 167.3 -9.1 117.4 18.5 56 56 A D - 0 0 21 -2,-0.3 -9,-0.2 1,-0.1 -10,-0.2 -0.212 54.8-121.5 -52.7 130.3 -9.5 114.7 15.8 57 57 A A >> - 0 0 0 -11,-1.7 4,-1.9 -12,-0.3 3,-0.8 -0.326 20.8-110.5 -65.3 154.7 -13.1 114.1 14.7 58 58 A L H 3> S+ 0 0 2 -9,-0.3 4,-2.5 1,-0.2 5,-0.2 0.771 115.9 67.5 -54.3 -32.4 -14.7 110.7 15.0 59 59 A Y H 34 S+ 0 0 3 -11,-0.5 -1,-0.2 -14,-0.3 4,-0.2 0.896 108.3 40.0 -57.9 -41.2 -14.7 110.5 11.1 60 60 A F H X> S+ 0 0 0 -15,-0.8 3,-1.5 -3,-0.8 4,-0.9 0.916 114.5 49.1 -70.6 -49.7 -11.0 110.3 11.5 61 61 A T H 3< S+ 0 0 0 -4,-1.9 4,-0.4 1,-0.3 3,-0.2 0.826 108.6 54.3 -67.4 -29.8 -10.7 108.0 14.5 62 62 A M T 3< S+ 0 0 2 -4,-2.5 -1,-0.3 1,-0.2 308,-0.2 0.521 117.0 37.2 -75.7 -7.9 -13.1 105.5 13.1 63 63 A L T <4 S+ 0 0 1 -3,-1.5 -39,-0.2 -4,-0.2 -2,-0.2 0.427 115.5 47.9-120.7 -3.2 -11.1 105.1 9.9 64 64 A N >< + 0 0 0 -4,-0.9 3,-1.6 -3,-0.2 -2,-0.1 0.216 66.9 147.4-135.1 17.6 -7.5 105.3 11.0 65 65 A S T 3 S+ 0 0 0 -4,-0.4 321,-0.3 1,-0.2 320,-0.2 -0.234 73.6 11.1 -51.1 137.4 -7.1 103.0 14.0 66 66 A N T 3 S+ 0 0 35 319,-2.3 -33,-0.4 1,-0.2 -1,-0.2 0.483 97.4 126.1 74.5 4.9 -3.7 101.4 14.3 67 67 A K < - 0 0 6 -3,-1.6 2,-0.3 318,-0.2 -1,-0.2 -0.593 56.0-130.4 -92.8 160.0 -2.0 103.6 11.7 68 68 A R E -c 34 0A 41 -35,-3.1 -33,-3.0 -2,-0.2 2,-0.5 -0.807 21.9-141.8-101.2 149.5 1.2 105.6 12.1 69 69 A S E +c 35 0A 0 -2,-0.3 323,-2.5 319,-0.2 2,-0.4 -0.967 19.8 176.8-117.0 126.1 1.1 109.3 11.0 70 70 A I E -c 36 0A 4 -35,-2.5 -33,-2.9 -2,-0.5 2,-0.6 -0.977 24.7-137.7-117.3 138.8 3.9 111.2 9.3 71 71 A E E +c 37 0A 39 -2,-0.4 2,-0.3 319,-0.2 -33,-0.2 -0.859 38.8 158.8 -85.7 121.5 3.7 114.8 8.1 72 72 A L - 0 0 7 -35,-2.8 2,-0.8 -2,-0.6 344,-0.2 -0.956 35.4-152.5-150.5 127.3 5.4 114.9 4.7 73 73 A N > - 0 0 57 342,-2.8 3,-1.5 -2,-0.3 6,-0.4 -0.868 10.5-170.3 -99.1 101.9 5.1 117.4 1.8 74 74 A T T 3 S+ 0 0 16 -2,-0.8 -1,-0.1 1,-0.3 341,-0.1 0.485 76.3 74.5 -76.7 0.9 5.9 115.4 -1.2 75 75 A K T 3 S+ 0 0 170 4,-0.1 -1,-0.3 340,-0.1 2,-0.2 0.551 83.3 82.4 -87.2 -6.6 6.1 118.6 -3.4 76 76 A T S <> S- 0 0 28 -3,-1.5 4,-2.3 339,-0.1 5,-0.2 -0.590 91.6-112.8 -93.1 160.6 9.5 119.6 -1.9 77 77 A A H > S+ 0 0 70 1,-0.2 4,-1.2 -2,-0.2 -1,-0.1 0.885 119.6 42.6 -56.2 -45.6 12.9 118.3 -3.0 78 78 A E H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.890 111.5 54.2 -67.2 -42.7 13.3 116.5 0.3 79 79 A G H > S+ 0 0 0 -6,-0.4 4,-2.4 1,-0.2 -5,-0.2 0.869 107.1 51.2 -61.9 -38.5 9.7 115.2 0.5 80 80 A K H X S+ 0 0 62 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.864 110.3 49.9 -66.9 -37.7 10.1 113.6 -2.9 81 81 A E H X S+ 0 0 111 -4,-1.2 4,-1.7 -5,-0.2 -2,-0.2 0.883 111.0 47.1 -68.7 -39.5 13.2 111.9 -1.8 82 82 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.922 111.7 53.0 -64.3 -44.4 11.7 110.5 1.4 83 83 A M H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.914 108.5 49.7 -56.8 -47.0 8.7 109.3 -0.7 84 84 A E H X S+ 0 0 74 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.863 111.9 47.5 -59.2 -43.1 11.0 107.5 -3.0 85 85 A K H X S+ 0 0 91 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.844 110.8 52.0 -68.8 -39.7 12.8 105.8 -0.1 86 86 A L H X S+ 0 0 4 -4,-2.8 4,-1.3 2,-0.2 3,-0.3 0.927 109.7 49.3 -59.8 -43.2 9.5 104.9 1.4 87 87 A I H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.869 108.2 54.7 -64.2 -37.0 8.4 103.3 -1.9 88 88 A R H < S+ 0 0 165 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.826 115.0 38.4 -64.3 -32.3 11.7 101.4 -2.1 89 89 A E H < S+ 0 0 99 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.596 103.4 90.2 -94.5 -13.2 11.0 99.9 1.4 90 90 A A < - 0 0 2 -4,-1.3 -80,-0.2 -3,-0.1 3,-0.1 -0.447 55.1-159.2 -89.7 156.9 7.3 99.3 1.1 91 91 A D S S+ 0 0 25 -82,-2.2 29,-3.2 1,-0.3 2,-0.4 0.731 83.1 26.8 -91.7 -35.2 5.1 96.3 -0.2 92 92 A I E -bd 10 120A 0 -83,-1.9 -81,-2.9 27,-0.2 2,-0.4 -0.990 57.0-166.9-135.1 139.1 2.0 98.3 -0.9 93 93 A L E -bd 11 121A 0 27,-2.8 29,-3.3 -2,-0.4 2,-0.4 -0.998 14.0-169.3-121.2 127.1 1.2 102.0 -1.8 94 94 A V E +bd 12 122A 0 -83,-3.0 -81,-2.9 -2,-0.4 -80,-0.5 -0.969 10.0 168.6-118.8 133.5 -2.5 103.1 -1.6 95 95 A E E + d 0 123A 3 27,-2.0 29,-2.2 -2,-0.4 -81,-0.1 -0.997 22.2 175.0-141.7 143.4 -3.9 106.4 -2.9 96 96 A N + 0 0 28 -2,-0.3 -77,-0.1 -83,-0.2 -81,-0.1 -0.155 36.6 141.3-135.0 38.7 -7.3 107.9 -3.5 97 97 A F - 0 0 66 1,-0.2 3,-0.1 -83,-0.0 5,-0.1 -0.402 63.9 -75.7 -78.4 164.0 -6.4 111.5 -4.6 98 98 A H S > S- 0 0 98 1,-0.2 3,-1.5 -2,-0.1 4,-0.4 -0.047 71.9 -71.5 -52.2 152.0 -8.3 113.3 -7.3 99 99 A P T 3 S+ 0 0 25 0, 0.0 -1,-0.2 0, 0.0 36,-0.0 -0.288 122.1 13.8 -49.9 137.1 -7.5 112.1 -10.8 100 100 A G T 3> S+ 0 0 22 -3,-0.1 4,-2.2 1,-0.0 3,-0.4 -0.135 95.4 110.2 87.7 -32.5 -4.0 113.3 -11.9 101 101 A A T <4 S+ 0 0 19 -3,-1.5 4,-0.1 1,-0.3 -3,-0.1 0.848 80.7 37.2 -52.4 -55.1 -2.9 114.2 -8.3 102 102 A I T >4>S+ 0 0 5 -4,-0.4 3,-1.1 1,-0.2 5,-0.7 0.820 113.3 58.5 -69.9 -30.7 -0.3 111.5 -7.6 103 103 A D G >45S+ 0 0 84 -3,-0.4 3,-2.0 1,-0.2 4,-0.2 0.942 98.4 59.8 -55.7 -50.4 1.0 111.5 -11.2 104 104 A H G 3<5S+ 0 0 153 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.420 92.5 69.7 -63.8 2.2 1.9 115.2 -10.9 105 105 A M G < 5S- 0 0 16 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.425 114.0-106.5 -99.0 -7.1 4.3 114.4 -8.0 106 106 A G T < 5S+ 0 0 49 -3,-2.0 2,-0.4 -4,-0.1 -3,-0.1 0.628 93.3 96.8 94.5 13.5 6.8 112.6 -10.2 107 107 A F < - 0 0 8 -5,-0.7 2,-0.2 -4,-0.2 -2,-0.1 -0.849 52.5-179.3-130.1 87.5 6.4 108.9 -9.3 108 108 A T >> - 0 0 46 -2,-0.4 4,-3.2 1,-0.1 3,-2.6 -0.624 47.7-100.3 -85.7 153.2 4.1 107.6 -12.0 109 109 A W H 3> S+ 0 0 16 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.906 132.7 52.1 -35.3 -48.5 3.1 103.9 -11.9 110 110 A E H 3> S+ 0 0 108 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.818 112.8 43.5 -59.4 -31.6 5.8 103.6 -14.5 111 111 A H H X> S+ 0 0 59 -3,-2.6 4,-2.1 2,-0.2 3,-0.6 0.914 108.4 57.0 -81.8 -44.5 8.2 105.4 -12.1 112 112 A I H 3X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.907 103.7 56.5 -44.8 -45.4 7.0 103.4 -9.1 113 113 A Q H 3< S+ 0 0 60 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.815 106.2 48.1 -60.2 -40.9 8.0 100.2 -11.0 114 114 A E H << S+ 0 0 161 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.893 112.9 48.5 -66.8 -45.1 11.6 101.2 -11.5 115 115 A I H < S+ 0 0 13 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.949 136.4 0.5 -58.6 -48.5 12.0 102.3 -7.8 116 116 A N >< - 0 0 18 -4,-2.7 3,-1.5 -5,-0.2 -1,-0.2 -0.822 55.5-173.7-149.0 97.9 10.4 98.9 -6.5 117 117 A P T 3 S+ 0 0 58 0, 0.0 76,-3.3 0, 0.0 -4,-0.1 0.576 90.6 59.4 -69.8 -5.2 9.3 96.1 -8.9 118 118 A R T 3 S+ 0 0 112 74,-0.3 2,-0.2 -28,-0.1 76,-0.1 0.588 83.0 109.4 -94.5 -11.9 7.9 94.3 -5.9 119 119 A L < - 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0 0 2 -5,-1.5 2,-0.8 -54,-0.1 -1,-0.2 -0.621 46.1-124.5 -69.4 127.5 -18.8 120.3 -9.1 750 334 B P + 0 0 0 0, 0.0 -63,-2.1 0, 0.0 2,-0.3 -0.692 60.2 130.6 -73.5 109.2 -18.9 116.6 -8.0 751 335 B C E +S 686 0E 0 -2,-0.8 -65,-0.2 -614,-0.3 -609,-0.1 -0.975 29.8 177.8-155.1 164.9 -22.0 115.4 -9.8 752 336 B A E -S 685 0E 0 -67,-1.4 -67,-2.3 -2,-0.3 2,-0.1 -0.958 35.6 -94.7-167.9 153.8 -23.2 112.6 -12.0 753 337 B P E -S 684 0E 0 0, 0.0 2,-1.2 0, 0.0 -69,-0.3 -0.393 38.4-111.8 -70.7 149.6 -26.4 111.4 -13.7 754 338 B V - 0 0 0 -71,-2.4 2,-0.3 -73,-0.3 -71,-0.3 -0.811 44.4-150.8 -74.0 97.5 -28.6 108.9 -11.9 755 339 B L - 0 0 4 -610,-2.1 -604,-0.4 -2,-1.2 -607,-0.1 -0.625 2.5-136.3 -79.2 130.6 -27.9 106.1 -14.5 756 340 B S > - 0 0 6 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.382 26.0-109.0 -74.2 164.0 -30.6 103.6 -15.1 757 341 B M H > S+ 0 0 0 -518,-0.3 4,-2.2 2,-0.2 -1,-0.1 0.787 122.0 58.4 -63.6 -25.5 -29.8 99.9 -15.3 758 342 B K H > S+ 0 0 68 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.948 106.8 45.3 -64.4 -51.1 -30.6 100.2 -19.0 759 343 B E H > S+ 0 0 55 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.908 115.0 48.9 -57.4 -42.8 -28.0 102.9 -19.5 760 344 B I H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.910 107.0 55.2 -64.2 -42.7 -25.5 100.8 -17.5 761 345 B S H 3< S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.806 118.6 33.5 -61.8 -28.6 -26.3 97.7 -19.5 762 346 B L H 3< S+ 0 0 110 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.449 83.6 128.6-103.1 -4.1 -25.4 99.4 -22.8 763 347 B D S+ 0 0 88 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.812 92.1 54.7 -61.1 -35.2 -19.7 101.3 -24.0 765 349 B S H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 6,-0.2 0.865 104.1 54.6 -71.9 -31.1 -17.1 102.4 -21.4 766 350 B L H 4>S+ 0 0 0 -3,-0.3 5,-2.2 2,-0.2 6,-2.0 0.819 110.0 48.4 -67.7 -29.8 -18.3 99.7 -18.9 767 351 B R H ><5S+ 0 0 88 -4,-1.2 3,-0.7 4,-0.2 -2,-0.2 0.902 111.9 49.0 -68.8 -44.4 -17.8 97.1 -21.7 768 352 B Q H 3<5S+ 0 0 136 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.887 111.7 47.9 -64.5 -42.6 -14.3 98.5 -22.4 769 353 B S T 3<5S- 0 0 17 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.583 112.3-118.5 -75.4 -6.9 -13.3 98.4 -18.7 770 354 B G T < 5S+ 0 0 23 -3,-0.7 18,-0.3 -4,-0.3 -3,-0.2 0.758 82.0 120.9 73.7 23.3 -14.7 94.8 -18.3 771 355 B S S -T 781 0F 11 4,-3.1 4,-3.1 -2,-0.6 -300,-0.0 -0.846 30.2-102.6-103.3 137.1 -23.9 80.5 -22.0 778 362 B P T 4 S- 0 0 58 0, 0.0 2,-2.4 0, 0.0 24,-0.1 -0.317 102.8 -0.3 -53.1 140.8 -24.8 77.1 -23.5 779 363 B L T 4 S+ 0 0 145 1,-0.2 -308,-0.0 -308,-0.1 -2,-0.0 -0.283 133.5 58.7 74.8 -49.2 -28.5 76.9 -24.7 780 364 B R T 4 S- 0 0 22 -2,-2.4 2,-0.3 1,-0.2 -1,-0.2 0.866 86.6-160.8 -75.1 -40.9 -29.1 80.5 -23.6 781 365 B G E < +T 777 0F 29 -4,-3.1 -4,-3.1 2,-0.0 -1,-0.2 -0.727 52.7 18.6 86.1-142.4 -26.5 82.2 -25.7 782 366 B K E +T 776 0F 114 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.328 62.0 160.4 -68.9 139.4 -25.4 85.8 -24.7 783 367 B Y E -T 775 0F 4 -8,-2.2 -8,-3.1 -2,-0.1 2,-0.4 -0.954 31.5-123.4-145.3 165.0 -26.0 87.3 -21.3 784 368 B L E +T 774 0F 18 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.856 27.6 177.6-107.7 144.8 -24.4 90.2 -19.4 785 369 B T E -T 773 0F 0 -12,-2.4 -12,-3.0 -2,-0.4 2,-0.5 -0.941 38.9-101.0-136.2 161.7 -22.8 89.9 -16.1 786 370 B V E -T 772 0F 3 -2,-0.3 -14,-0.2 -308,-0.2 -15,-0.1 -0.772 49.4-144.1 -78.9 126.0 -21.0 92.3 -13.7 787 371 B G - 0 0 0 -16,-2.6 -16,-0.1 -2,-0.5 -1,-0.1 0.173 39.4 -52.9 -79.6-165.4 -17.3 91.5 -14.3 788 372 B C - 0 0 5 -18,-0.3 -1,-0.2 1,-0.2 11,-0.0 -0.655 55.6-151.4 -74.8 118.7 -14.4 91.5 -11.9 789 373 B P S S+ 0 0 2 0, 0.0 -590,-0.4 0, 0.0 2,-0.3 0.860 71.6 61.3 -73.9 -36.8 -14.6 94.9 -10.3 790 374 B M S S- 0 0 1 -615,-0.1 2,-0.4 -592,-0.1 -592,-0.2 -0.645 79.4-135.0 -89.5 150.8 -11.0 95.7 -9.5 791 375 B K E -F 197 0A 47 -594,-3.1 -594,-2.2 -2,-0.3 2,-0.4 -0.858 13.0-158.8-109.9 139.0 -8.5 95.9 -12.3 792 376 B F E > -FG 196 795A 15 3,-0.6 3,-0.5 -2,-0.4 -596,-0.2 -0.924 14.8-151.3-118.1 136.7 -5.0 94.3 -12.3 793 377 B S T 3 S+ 0 0 58 -598,-2.3 -1,-0.1 -2,-0.4 -597,-0.1 0.739 98.4 46.6 -78.0 -17.7 -2.1 95.4 -14.5 794 378 B A T 3 S+ 0 0 53 -599,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.324 118.0 26.7-107.7 5.7 -0.6 91.9 -14.4 795 379 B F B < -G 792 0A 17 -3,-0.5 -3,-0.6 -376,-0.0 -1,-0.2 -0.933 53.7-154.4-167.3 147.7 -3.7 89.8 -15.1 796 380 B T - 0 0 127 -2,-0.3 -5,-0.1 -5,-0.1 -3,-0.0 -0.990 28.5-125.8-121.8 119.8 -7.1 89.9 -16.8 797 381 B P - 0 0 29 0, 0.0 2,-0.6 0, 0.0 -352,-0.1 -0.330 15.7-140.5 -60.2 146.1 -9.9 87.5 -15.6 798 382 B D - 0 0 110 -354,-0.3 2,-0.5 -316,-0.0 -2,-0.0 -0.947 17.8-151.1-112.2 105.9 -11.4 85.4 -18.3 799 383 B I + 0 0 28 -2,-0.6 2,-0.2 -25,-0.1 -12,-0.0 -0.709 22.3 176.8 -89.6 124.5 -15.1 85.3 -17.6 800 384 B K - 0 0 112 -2,-0.5 -317,-0.1 1,-0.2 -23,-0.1 -0.588 32.3 -68.5-121.5 175.2 -16.8 82.1 -18.8 801 385 B A - 0 0 30 -25,-0.3 -319,-2.3 -320,-0.2 -1,-0.2 -0.045 49.5-109.2 -58.0 158.8 -20.2 80.3 -18.8 802 386 B A - 0 0 3 -321,-0.3 -321,-0.2 -320,-0.1 -1,-0.1 -0.693 45.1 -96.0 -89.8 151.7 -21.8 78.9 -15.6 803 387 B P - 0 0 4 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.391 26.8-119.5 -75.5 145.7 -21.9 75.1 -15.4 804 388 B L > - 0 0 57 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.483 55.7 -78.3 -70.2 149.1 -24.8 72.8 -16.3 805 389 B L T 3 S- 0 0 50 1,-0.3 -1,-0.1 -2,-0.1 -318,-0.1 -0.350 112.1 -7.7 -60.1 122.0 -26.0 70.9 -13.3 806 390 B G T > S+ 0 0 16 -2,-0.2 3,-1.4 -3,-0.1 4,-0.4 0.566 88.2 140.1 67.3 13.8 -23.6 67.9 -12.6 807 391 B E T < S+ 0 0 107 -3,-2.0 4,-0.2 1,-0.3 -321,-0.1 0.800 77.4 34.6 -52.9 -34.3 -21.7 68.6 -15.8 808 392 B H T 3> S+ 0 0 42 -323,-2.2 4,-2.5 -4,-0.3 -1,-0.3 0.217 83.0 110.1-112.5 11.7 -18.4 67.8 -14.1 809 393 B T H <> S+ 0 0 12 -3,-1.4 4,-2.7 -324,-0.4 5,-0.2 0.940 82.1 45.4 -50.3 -55.5 -19.5 65.0 -11.6 810 394 B A H > S+ 0 0 49 -4,-0.4 4,-2.8 1,-0.2 5,-0.2 0.947 113.6 49.6 -59.5 -48.2 -17.6 62.2 -13.4 811 395 B A H > S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.913 112.3 47.6 -56.7 -45.7 -14.4 64.2 -13.9 812 396 B V H X S+ 0 0 1 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.942 113.1 47.4 -63.9 -46.4 -14.3 65.3 -10.2 813 397 B L H <>S+ 0 0 0 -4,-2.7 5,-1.9 -5,-0.2 4,-0.4 0.911 112.8 50.3 -59.9 -41.0 -14.9 61.7 -9.0 814 398 B Q H ><5S+ 0 0 101 -4,-2.8 3,-1.3 -5,-0.2 -2,-0.2 0.887 105.7 55.4 -64.8 -40.3 -12.2 60.5 -11.4 815 399 B E H 3<5S+ 0 0 106 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.844 104.5 55.7 -58.9 -35.2 -9.7 63.1 -10.1 816 400 B L T 3<5S- 0 0 37 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.620 126.0-102.4 -71.7 -14.0 -10.3 61.8 -6.6 817 401 B G T < 5 + 0 0 63 -3,-1.3 -3,-0.2 -4,-0.4 2,-0.2 0.482 67.0 153.1 105.4 5.2 -9.3 58.2 -7.8 818 402 B Y < - 0 0 26 -5,-1.9 -1,-0.3 1,-0.1 2,-0.1 -0.468 37.1-133.6 -72.0 137.1 -12.7 56.6 -8.1 819 403 B S > - 0 0 52 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.273 27.0-104.6 -76.0 167.7 -13.1 53.7 -10.6 820 404 B D H > S+ 0 0 121 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.885 123.6 52.3 -61.2 -40.5 -16.0 53.4 -13.1 821 405 B D H > S+ 0 0 134 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.917 107.9 50.7 -58.4 -48.7 -17.6 50.7 -10.8 822 406 B E H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.908 112.8 47.0 -55.7 -41.4 -17.4 53.0 -7.7 823 407 B I H X S+ 0 0 23 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.923 111.0 49.4 -70.6 -46.0 -19.1 55.8 -9.7 824 408 B A H X S+ 0 0 63 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.887 110.1 53.2 -58.3 -36.7 -21.9 53.5 -11.1 825 409 B A H X S+ 0 0 47 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.928 108.1 50.4 -64.6 -41.5 -22.4 52.3 -7.5 826 410 B M H <>S+ 0 0 5 -4,-2.1 5,-2.7 2,-0.2 6,-0.9 0.906 110.9 48.3 -61.4 -42.8 -22.8 55.9 -6.3 827 411 B K H ><5S+ 0 0 129 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.954 111.6 49.0 -63.3 -48.4 -25.3 56.6 -9.1 828 412 B Q H 3<5S+ 0 0 153 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.858 113.9 48.3 -53.4 -39.3 -27.3 53.5 -8.2 829 413 B N T 3<5S- 0 0 86 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.272 113.2-117.8 -90.1 8.3 -27.3 54.5 -4.6 830 414 B H T < 5S+ 0 0 141 -3,-1.7 -3,-0.2 2,-0.1 -4,-0.1 0.762 77.9 127.3 59.3 28.1 -28.3 58.1 -5.2 831 415 B A < 0 0 0 -5,-2.7 -342,-3.1 -6,-0.2 -4,-0.2 0.693 360.0 360.0 -78.1 -24.5 -25.1 59.5 -3.9 832 416 B I 0 0 20 -6,-0.9 -344,-0.2 -344,-0.2 -2,-0.1 -0.827 360.0 360.0-132.0 360.0 -24.7 61.5 -7.2