==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-APR-12 4EVW . COMPND 2 MOLECULE: NUCLEOSIDE-DIPHOSPHATE-SUGAR PYROPHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR S.VOROBIEV,H.NEELY,M.SU,J.SEETHARAMAN,M.MAO,R.XIAO,E.KOHAN, . 488 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 11.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 43 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 2 0 2 0 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 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 PARALLEL BRIDGES PER LADDER . 4 4 2 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 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 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 X 0 0 8 0, 0.0 109,-2.9 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 130.7 20.3 69.2 58.1 2 2 A I E -ab 49 110A 0 46,-2.4 48,-3.0 107,-0.2 2,-0.5 -0.790 360.0-164.8 -90.7 121.3 21.4 70.2 54.7 3 3 A V E -ab 50 111A 0 107,-2.8 109,-2.4 -2,-0.6 48,-0.2 -0.928 7.5-170.2-112.6 125.4 20.7 67.4 52.2 4 4 A I E -a 51 0A 0 46,-3.0 48,-2.4 -2,-0.5 2,-0.5 -0.888 7.8-158.4-119.2 101.3 22.3 67.4 48.8 5 5 A P E +a 52 0A 6 0, 0.0 109,-0.5 0, 0.0 48,-0.1 -0.669 27.9 153.8 -73.9 121.8 20.9 64.8 46.3 6 6 A X + 0 0 10 46,-2.8 48,-0.5 -2,-0.5 17,-0.1 -0.143 31.3 110.6-145.7 47.3 23.6 64.3 43.7 7 7 A A + 0 0 3 46,-0.2 77,-0.1 2,-0.1 46,-0.1 0.398 53.9 103.5-103.2 -3.2 23.0 60.8 42.4 8 8 A G S S- 0 0 57 75,-0.1 2,-0.4 1,-0.1 46,-0.1 0.336 73.1 -99.3 -63.0-160.1 21.8 61.8 39.0 9 9 A X - 0 0 100 12,-0.0 2,-0.8 13,-0.0 3,-0.3 -0.985 10.9-136.0-132.6 141.5 23.7 61.7 35.7 10 10 A S > + 0 0 6 -2,-0.4 4,-2.5 1,-0.2 3,-0.4 -0.283 47.3 148.8 -89.9 49.0 25.6 64.5 33.9 11 11 A S H > + 0 0 72 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.851 69.1 48.8 -53.0 -45.5 24.2 63.5 30.4 12 12 A R H > S+ 0 0 164 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.871 114.0 47.8 -64.6 -35.7 24.1 67.0 28.9 13 13 A F H 4>S+ 0 0 2 -3,-0.4 5,-2.5 2,-0.2 4,-0.5 0.865 108.9 54.0 -72.3 -35.4 27.7 67.5 30.1 14 14 A F H ><5S+ 0 0 60 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.959 110.7 45.9 -61.4 -49.2 28.8 64.2 28.7 15 15 A K H 3<5S+ 0 0 191 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.853 106.6 59.9 -61.8 -33.4 27.3 65.1 25.3 16 16 A A T 3<5S- 0 0 52 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.596 128.5 -96.7 -71.8 -9.8 29.1 68.5 25.6 17 17 A G T < 5S+ 0 0 59 -3,-1.6 2,-0.4 -4,-0.5 -3,-0.2 0.507 79.9 132.0 110.7 4.3 32.4 66.7 25.8 18 18 A Y < - 0 0 68 -5,-2.5 -1,-0.3 -8,-0.1 4,-0.1 -0.730 34.2-169.4 -91.4 138.6 33.1 66.4 29.5 19 19 A T + 0 0 121 -2,-0.4 -1,-0.1 2,-0.1 -5,-0.1 0.569 67.1 74.6-101.5 -11.7 34.2 63.0 30.8 20 20 A Q S S- 0 0 90 -7,-0.1 5,-0.1 1,-0.1 -2,-0.1 -0.697 96.7 -94.7 -98.5 151.2 33.9 63.8 34.5 21 21 A P > - 0 0 5 0, 0.0 3,-2.4 0, 0.0 4,-0.4 -0.388 42.6-109.7 -63.8 147.0 30.6 64.2 36.4 22 22 A K G > S+ 0 0 26 1,-0.3 3,-1.6 2,-0.2 10,-0.4 0.798 114.3 61.2 -47.2 -40.2 29.6 67.8 36.4 23 23 A Y G 3 S+ 0 0 10 1,-0.3 10,-2.0 9,-0.1 11,-0.3 0.655 102.2 54.1 -67.4 -12.1 30.2 68.4 40.2 24 24 A X G < S+ 0 0 20 -3,-2.4 -1,-0.3 8,-0.2 -2,-0.2 0.487 83.1 110.4 -96.6 -5.8 33.9 67.5 39.7 25 25 A L < - 0 0 7 -3,-1.6 7,-2.2 -4,-0.4 2,-0.3 -0.368 65.3-128.9 -67.6 151.2 34.4 70.1 37.0 26 26 A E E +J 31 0B 125 5,-0.2 2,-0.3 6,-0.1 5,-0.2 -0.753 29.4 169.1-108.4 151.9 36.5 73.1 38.0 27 27 A A E > -J 30 0B 3 3,-2.2 3,-1.6 -2,-0.3 215,-0.1 -0.911 68.3 -8.9-160.1 128.9 36.0 76.9 37.8 28 28 A H T 3 S- 0 0 106 -2,-0.3 3,-0.1 1,-0.3 214,-0.0 0.810 132.3 -43.2 52.8 36.1 37.9 79.8 39.3 29 29 A G T 3 S+ 0 0 76 1,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.400 124.2 62.4 96.4 -4.1 40.1 77.5 41.4 30 30 A Q E < S-J 27 0B 53 -3,-1.6 -3,-2.2 3,-0.0 -1,-0.1 -0.992 81.4 -91.6-153.0 160.0 37.5 75.0 42.8 31 31 A T E > -J 26 0B 6 -2,-0.3 4,-2.3 -5,-0.2 -5,-0.2 -0.245 35.6-116.5 -68.4 155.7 35.1 72.3 41.8 32 32 A L H > S+ 0 0 2 -7,-2.2 4,-2.4 -10,-0.4 5,-0.2 0.857 118.2 62.0 -61.3 -30.5 31.4 73.0 41.1 33 33 A F H > S+ 0 0 0 -10,-2.0 4,-2.8 -8,-0.3 5,-0.2 0.942 106.7 43.7 -57.9 -47.6 30.8 70.8 44.2 34 34 A E H > S+ 0 0 16 -11,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.888 110.0 54.8 -65.7 -41.8 32.7 73.3 46.3 35 35 A H H < S+ 0 0 28 -4,-2.3 4,-0.3 2,-0.2 83,-0.2 0.906 114.7 41.7 -58.2 -41.9 31.1 76.3 44.8 36 36 A S H >< S+ 0 0 0 -4,-2.4 3,-1.4 78,-0.2 82,-0.4 0.947 116.4 44.6 -72.9 -49.3 27.7 74.9 45.6 37 37 A V H >< S+ 0 0 0 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.831 102.0 67.8 -66.6 -30.5 28.4 73.6 49.1 38 38 A N G >< S+ 0 0 47 -4,-2.5 3,-2.0 1,-0.3 82,-0.3 0.671 78.9 81.8 -63.3 -14.1 30.2 76.8 50.0 39 39 A S G < S+ 0 0 2 -3,-1.4 82,-1.6 1,-0.3 3,-0.3 0.879 96.1 45.3 -54.1 -36.6 26.8 78.5 49.8 40 40 A F G X S+ 0 0 0 -3,-2.0 3,-2.7 -4,-0.3 4,-0.3 0.051 71.7 127.6 -97.7 24.0 26.4 77.1 53.3 41 41 A A G X + 0 0 52 -3,-2.0 3,-1.2 1,-0.3 4,-0.3 0.790 67.1 64.9 -51.6 -32.3 29.8 78.1 54.8 42 42 A A G 3 S+ 0 0 73 -3,-0.3 -1,-0.3 79,-0.3 3,-0.2 0.691 106.3 45.0 -66.3 -14.9 28.1 79.8 57.7 43 43 A Y G <> S+ 0 0 38 -3,-2.7 4,-2.6 1,-0.1 3,-0.4 0.357 78.8 102.1-111.0 5.1 26.8 76.4 58.8 44 44 A F T <4 S+ 0 0 17 -3,-1.2 29,-2.5 -4,-0.3 30,-0.5 0.815 87.9 42.8 -58.7 -33.4 29.9 74.2 58.4 45 45 A A T 4 S+ 0 0 88 -4,-0.3 -1,-0.2 27,-0.2 -2,-0.1 0.738 126.6 26.8 -86.8 -21.7 30.6 74.2 62.1 46 46 A S T 4 S+ 0 0 87 -3,-0.4 -2,-0.2 -4,-0.1 -1,-0.1 0.669 104.7 66.9-115.4 -24.0 27.0 73.7 63.4 47 47 A T S < S- 0 0 22 -4,-2.6 27,-0.4 -46,-0.0 2,-0.1 -0.868 71.2-123.6-113.6 136.8 24.8 71.9 60.9 48 48 A P - 0 0 29 0, 0.0 -46,-2.4 0, 0.0 2,-0.4 -0.449 23.0-152.7 -74.7 149.3 25.0 68.3 59.7 49 49 A F E -ac 2 75A 0 25,-1.6 27,-2.8 -48,-0.2 2,-0.5 -0.963 4.5-159.6-121.0 139.1 25.2 67.7 55.9 50 50 A L E -ac 3 76A 1 -48,-3.0 -46,-3.0 -2,-0.4 2,-0.6 -0.972 6.0-166.0-120.8 115.8 24.0 64.6 54.1 51 51 A F E -ac 4 77A 0 25,-2.9 27,-2.7 -2,-0.5 2,-0.7 -0.902 4.0-160.9-102.4 122.8 25.5 64.0 50.7 52 52 A I E +ac 5 78A 0 -48,-2.4 -46,-2.8 -2,-0.6 2,-0.2 -0.903 24.6 164.0-108.9 109.1 23.6 61.4 48.6 53 53 A V E - c 0 79A 0 25,-2.2 27,-3.6 -2,-0.7 2,-0.3 -0.647 33.1-114.5-119.3 175.5 25.8 60.1 45.9 54 54 A R E - c 0 80A 27 -48,-0.5 2,-2.2 25,-0.2 5,-0.4 -0.763 34.2-105.6-110.0 157.5 26.0 57.2 43.4 55 55 A N S S+ 0 0 68 25,-1.8 2,-0.3 -2,-0.3 26,-0.1 -0.254 85.3 103.7 -77.5 52.8 28.6 54.5 43.3 56 56 A V S > S+ 0 0 42 -2,-2.2 3,-2.0 1,-0.1 -2,-0.2 -0.944 74.5 9.2-133.9 155.9 30.3 56.0 40.2 57 57 A Y T 3 S- 0 0 113 -2,-0.3 5,-0.1 1,-0.3 -1,-0.1 0.684 115.2 -78.1 50.8 24.9 33.5 57.9 39.5 58 58 A D T 3> S+ 0 0 134 1,-0.1 4,-1.9 3,-0.1 -1,-0.3 0.863 82.7 157.8 55.2 38.6 34.7 57.3 43.1 59 59 A T H <> + 0 0 1 -3,-2.0 4,-3.1 -5,-0.4 5,-0.3 0.852 61.3 59.7 -63.5 -39.5 32.3 60.1 44.2 60 60 A A H > S+ 0 0 23 -6,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.925 109.6 44.6 -57.2 -44.3 32.0 59.0 47.8 61 61 A V H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.923 112.8 51.5 -65.1 -44.2 35.7 59.5 48.2 62 62 A F H X S+ 0 0 29 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.939 112.9 44.9 -57.4 -49.8 35.7 62.8 46.4 63 63 A V H X S+ 0 0 0 -4,-3.1 4,-3.1 2,-0.2 5,-0.3 0.913 112.0 51.2 -63.0 -44.8 32.9 64.1 48.6 64 64 A R H X S+ 0 0 131 -4,-2.4 4,-2.1 -5,-0.3 5,-0.2 0.931 113.3 45.7 -60.2 -44.3 34.4 62.9 51.8 65 65 A E H X S+ 0 0 122 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.932 116.4 44.1 -64.2 -46.8 37.7 64.6 50.9 66 66 A K H X S+ 0 0 43 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.909 113.3 50.3 -65.9 -43.2 36.2 67.9 49.8 67 67 A A H X>S+ 0 0 0 -4,-3.1 5,-2.3 2,-0.2 4,-0.8 0.914 112.2 47.9 -61.3 -42.9 33.8 68.1 52.7 68 68 A T H ><5S+ 0 0 88 -4,-2.1 3,-0.8 -5,-0.3 -1,-0.2 0.931 112.7 49.1 -62.9 -45.4 36.6 67.5 55.2 69 69 A Q H 3<5S+ 0 0 139 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.859 105.5 56.2 -63.6 -36.2 38.7 70.1 53.5 70 70 A L H 3<5S- 0 0 34 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.681 117.1-114.3 -69.4 -17.4 35.9 72.6 53.5 71 71 A G T <<5 + 0 0 23 -3,-0.8 2,-0.7 -4,-0.8 -3,-0.2 0.733 54.4 164.8 90.3 24.0 35.8 72.2 57.2 72 72 A I < - 0 0 6 -5,-2.3 -1,-0.3 1,-0.2 -27,-0.2 -0.669 21.5-162.0 -76.2 114.8 32.3 70.7 57.5 73 73 A K S S+ 0 0 140 -29,-2.5 2,-0.4 -2,-0.7 -1,-0.2 0.754 71.3 30.5 -73.7 -27.1 32.4 69.3 61.0 74 74 A Q S S+ 0 0 111 -30,-0.5 -25,-1.6 -27,-0.4 2,-0.3 -0.934 74.4 144.8-137.3 114.0 29.5 66.8 60.7 75 75 A F E -c 49 0A 30 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.994 26.5-156.4-148.3 156.2 28.5 65.1 57.5 76 76 A Y E -c 50 0A 53 -27,-2.8 -25,-2.9 -2,-0.3 2,-0.5 -0.933 7.9-150.0-129.5 150.7 27.2 61.8 56.3 77 77 A I E -c 51 0A 15 -2,-0.3 2,-0.6 -27,-0.2 -25,-0.2 -0.990 5.8-167.5-126.6 126.0 27.4 60.2 52.9 78 78 A A E -c 52 0A 0 -27,-2.7 -25,-2.2 -2,-0.5 2,-0.6 -0.963 11.9-156.0-112.7 117.2 24.7 57.9 51.6 79 79 A E E -c 53 0A 74 -2,-0.6 2,-0.3 -27,-0.2 -25,-0.2 -0.855 5.1-159.0-100.6 119.9 25.9 55.9 48.6 80 80 A L E -c 54 0A 16 -27,-3.6 -25,-1.8 -2,-0.6 4,-0.1 -0.711 8.5-160.2 -94.9 146.5 23.2 54.7 46.2 81 81 A H S S+ 0 0 122 -2,-0.3 2,-0.3 -27,-0.2 -1,-0.1 0.495 71.5 48.4-106.3 -4.3 23.8 51.8 43.8 82 82 A T S S- 0 0 93 0, 0.0 2,-0.1 0, 0.0 -27,-0.0 -0.908 90.1-100.2-129.9 159.0 21.0 52.3 41.3 83 83 A E - 0 0 126 -2,-0.3 2,-0.2 1,-0.1 -75,-0.1 -0.444 41.7-139.4 -71.8 153.9 19.8 55.4 39.4 84 84 A T - 0 0 30 -77,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.623 18.9-113.0-110.4 174.6 16.7 57.0 40.9 85 85 A R S S- 0 0 118 1,-0.3 118,-1.8 -2,-0.2 2,-0.2 0.417 85.2 -47.7 -86.4 1.4 13.6 58.4 39.3 86 86 A G S >> S- 0 0 17 116,-0.2 4,-2.3 1,-0.1 3,-0.8 -0.824 73.6 -59.8 150.4 170.7 14.5 61.9 40.5 87 87 A Q H 3> S+ 0 0 57 1,-0.3 4,-2.7 -2,-0.2 117,-0.2 0.791 123.4 58.5 -52.1 -35.9 15.7 64.1 43.4 88 88 A A H 3> S+ 0 0 0 115,-2.2 4,-2.0 2,-0.2 -1,-0.3 0.908 110.6 42.2 -64.6 -40.3 12.7 63.2 45.6 89 89 A E H <> S+ 0 0 31 -3,-0.8 4,-3.0 114,-0.6 5,-0.3 0.905 111.9 55.5 -71.6 -39.3 13.5 59.5 45.5 90 90 A T H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.939 109.2 47.3 -56.2 -47.8 17.2 60.2 45.9 91 91 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.937 112.6 48.5 -60.1 -47.9 16.4 62.2 49.1 92 92 A T H X S+ 0 0 6 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.928 114.0 45.5 -59.9 -45.7 14.1 59.4 50.5 93 93 A L H X S+ 0 0 47 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.857 112.4 52.9 -66.7 -33.3 16.7 56.7 49.7 94 94 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.897 109.0 47.9 -68.0 -40.7 19.4 58.8 51.3 95 95 A L H X S+ 0 0 6 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.858 111.4 51.3 -68.3 -34.3 17.5 59.3 54.5 96 96 A E H X S+ 0 0 94 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.911 110.4 48.7 -68.6 -39.4 16.8 55.6 54.6 97 97 A E H X S+ 0 0 50 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.884 107.3 56.1 -66.5 -37.9 20.5 54.9 54.2 98 98 A L H ><>S+ 0 0 5 -4,-2.3 5,-1.5 1,-0.2 3,-0.6 0.934 108.6 46.9 -59.4 -44.7 21.3 57.4 56.9 99 99 A A H ><5S+ 0 0 56 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.877 106.5 58.1 -65.3 -35.5 19.1 55.5 59.3 100 100 A K H 3<5S+ 0 0 145 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.766 99.3 59.7 -64.9 -23.2 20.7 52.2 58.2 101 101 A Q T <<5S- 0 0 89 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.479 125.8-104.5 -82.0 -1.4 24.0 53.7 59.3 102 102 A G T < 5S+ 0 0 64 -3,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.349 75.9 138.7 96.7 -6.1 22.5 54.0 62.8 103 103 A V < - 0 0 36 -5,-1.5 2,-0.9 1,-0.1 -1,-0.3 -0.620 37.2-161.3 -77.7 122.9 21.9 57.8 62.7 104 104 A D + 0 0 133 -2,-0.5 2,-0.5 -3,-0.1 -1,-0.1 -0.802 21.8 166.8-106.6 88.9 18.5 58.7 64.3 105 105 A Y + 0 0 48 -2,-0.9 -6,-0.0 -10,-0.1 -2,-0.0 -0.905 15.9 165.3-109.1 129.8 17.8 62.2 63.0 106 106 A Q + 0 0 95 -2,-0.5 75,-0.3 74,-0.1 74,-0.3 0.231 45.5 100.8-124.7 13.5 14.3 63.7 63.4 107 107 A G S S- 0 0 26 1,-0.2 73,-1.9 72,-0.2 74,-0.1 0.115 77.9 -54.1 -86.5-159.8 15.0 67.4 62.6 108 108 A S - 0 0 33 71,-0.2 2,-0.4 72,-0.1 70,-0.2 -0.280 44.0-150.3 -74.6 158.9 14.5 69.7 59.7 109 109 A I E - D 0 177A 0 68,-2.5 68,-2.6 70,-0.1 2,-0.6 -1.000 6.2-163.4-134.4 136.5 15.9 69.0 56.2 110 110 A T E -bD 2 176A 0 -109,-2.9 -107,-2.8 -2,-0.4 2,-0.4 -0.948 14.7-155.8-118.7 104.7 17.0 71.6 53.7 111 111 A V E +bD 3 175A 0 64,-3.1 64,-2.5 -2,-0.6 2,-0.3 -0.689 21.8 163.8 -86.3 133.6 17.3 70.0 50.2 112 112 A F - 0 0 0 -109,-2.4 2,-0.4 -2,-0.4 62,-0.2 -0.938 27.7-125.5-142.1 161.3 19.6 71.8 47.8 113 113 A N > - 0 0 14 -2,-0.3 3,-1.5 -109,-0.2 -107,-0.1 -0.871 14.9-129.6-118.5 152.4 21.2 70.8 44.5 114 114 A I T 3 S+ 0 0 6 -109,-0.5 -78,-0.2 -2,-0.4 -77,-0.1 0.534 102.6 70.2 -71.3 -5.4 24.8 70.9 43.4 115 115 A D T 3 S+ 0 0 45 -79,-0.1 117,-3.1 58,-0.1 2,-0.4 0.426 93.1 69.9 -89.5 -1.1 23.8 72.8 40.2 116 116 A T E < -K 231 0C 3 -3,-1.5 2,-0.5 115,-0.2 115,-0.2 -0.930 61.4-158.1-124.9 143.3 23.1 75.9 42.2 117 117 A F E +K 230 0C 6 113,-2.6 113,-2.5 -2,-0.4 -81,-0.1 -0.978 9.0 178.8-119.5 132.0 25.1 78.5 44.1 118 118 A R > - 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0 0 96 12,-0.0 2,-1.0 13,-0.0 3,-0.3 -0.997 10.8-133.9-139.5 139.4 0.3 117.0 36.0 255 10 B S > + 0 0 6 -2,-0.3 4,-2.4 1,-0.2 3,-0.4 -0.272 48.6 147.5 -88.7 50.7 -1.5 114.2 34.1 256 11 B S H > + 0 0 71 -2,-1.0 4,-2.5 1,-0.3 -1,-0.2 0.856 69.3 51.6 -57.8 -41.8 -0.2 115.3 30.7 257 12 B R H > S+ 0 0 158 -3,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.886 113.2 46.0 -63.1 -38.1 -0.1 111.8 29.2 258 13 B F H >>S+ 0 0 2 -3,-0.4 5,-2.5 2,-0.2 4,-0.5 0.859 109.0 55.4 -72.7 -34.2 -3.7 111.2 30.3 259 14 B F H ><5S+ 0 0 61 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.956 109.7 46.3 -61.5 -47.7 -4.8 114.6 28.9 260 15 B K H 3<5S+ 0 0 191 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.838 106.7 59.6 -62.8 -32.1 -3.4 113.6 25.5 261 16 B A H 3<5S- 0 0 52 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.584 129.1 -94.3 -73.4 -9.9 -5.1 110.2 25.8 262 17 B G T <<5S+ 0 0 60 -3,-1.5 2,-0.3 -4,-0.5 -3,-0.2 0.454 80.5 132.4 114.0 0.5 -8.4 112.0 26.1 263 18 B Y < - 0 0 69 -5,-2.5 -1,-0.3 1,-0.1 4,-0.1 -0.655 34.1-169.7 -88.1 142.2 -9.1 112.4 29.8 264 19 B T + 0 0 120 -2,-0.3 -1,-0.1 2,-0.1 -5,-0.1 0.525 68.1 72.3-105.1 -9.8 -10.2 115.7 31.2 265 20 B Q S S- 0 0 90 -7,-0.1 5,-0.1 1,-0.1 -2,-0.0 -0.772 96.5 -95.5-104.1 150.1 -9.8 114.9 34.8 266 21 B P > - 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0 0 24 -3,-1.7 -3,-0.3 2,-0.1 -1,-0.2 -0.935 59.3-157.6-118.3 142.8 22.9 91.6 52.5 400 155 B T + 0 0 52 -2,-0.4 66,-2.1 -3,-0.1 2,-0.1 0.249 52.3 129.5-101.2 14.1 20.1 94.1 52.0 401 156 B K B -T 465 0D 60 64,-0.2 -6,-1.4 -5,-0.2 2,-0.4 -0.387 50.2-143.8 -68.2 143.2 22.4 97.1 52.2 402 157 B V E +R 394 0D 2 62,-3.1 62,-0.3 -8,-0.2 3,-0.1 -0.933 20.2 177.9-110.9 132.3 22.3 99.6 49.4 403 158 B I E + 0 0 64 -10,-2.6 2,-0.3 -2,-0.4 -1,-0.1 0.578 67.6 6.3-108.3 -13.4 25.5 101.3 48.2 404 159 B Q E -R 393 0D 71 -11,-0.9 -11,-3.3 2,-0.0 -1,-0.3 -0.968 54.6-159.8-166.4 149.3 24.1 103.4 45.4 405 160 B T E -R 392 0D 2 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.934 9.7-177.0-130.8 156.3 20.9 104.6 43.7 406 161 B A E -R 391 0D 13 -15,-1.8 -15,-3.3 -2,-0.3 5,-0.0 -0.981 20.7-148.9-151.7 144.6 20.4 106.0 40.2 407 162 B E S S+ 0 0 32 -2,-0.3 -1,-0.1 -17,-0.3 44,-0.0 0.798 94.7 7.8 -89.3 -29.2 17.2 107.3 38.5 408 163 B K S S+ 0 0 96 -20,-0.1 -18,-0.1 -18,-0.1 -1,-0.1 0.385 108.5 88.0-130.8 -1.5 17.9 106.4 34.8 409 164 B N S S- 0 0 96 -18,-0.1 2,-2.2 -21,-0.1 -18,-0.2 -0.902 72.7-133.8-107.6 123.8 21.0 104.3 34.9 410 165 B P + 0 0 52 0, 0.0 -20,-0.1 0, 0.0 -22,-0.0 -0.394 40.9 156.3 -80.1 71.8 20.7 100.6 35.4 411 166 B I S S- 0 0 36 -2,-2.2 2,-0.3 3,-0.1 -7,-0.0 0.485 74.7 -8.5 -71.5 -3.1 23.3 100.0 38.0 412 167 B S S S- 0 0 25 -3,-0.1 -19,-0.1 -19,-0.1 0, 0.0 -0.920 72.6-104.8-170.1-175.3 21.4 96.8 39.0 413 168 B D S S+ 0 0 73 -2,-0.3 -29,-0.9 -21,-0.1 2,-0.8 0.026 83.5 107.1-118.3 28.6 18.1 95.1 38.3 414 169 B L E - P 0 383D 0 -22,-0.4 -22,-2.2 -31,-0.2 2,-0.4 -0.923 57.1-165.6-103.6 106.1 16.5 96.0 41.6 415 170 B C E -SP 391 382D 0 -33,-2.9 -33,-2.4 -2,-0.8 -24,-0.2 -0.774 20.7-109.9-100.9 140.8 14.0 98.6 40.6 416 171 B S E - P 0 381D 7 -26,-3.0 -26,-0.3 -2,-0.4 -35,-0.2 -0.387 11.4-155.2 -67.7 138.1 12.1 101.0 42.9 417 172 B T E - 0 0 3 -37,-1.9 -1,-0.1 2,-0.3 -36,-0.1 0.524 55.2-100.6 -85.9 -8.9 8.4 100.5 43.4 418 173 B G E S+ 0 0 7 -38,-0.5 2,-0.6 1,-0.3 -37,-0.1 0.451 89.1 122.1 101.4 0.2 8.1 104.2 44.2 419 174 B L E - 0 0 0 -39,-0.3 -39,-2.0 -62,-0.1 2,-0.5 -0.893 37.4-179.5 -99.8 118.5 8.0 103.6 48.0 420 175 B Y E -OP 356 379D 10 -64,-2.7 -64,-3.3 -2,-0.6 2,-0.4 -0.961 6.8-164.1-122.6 115.3 10.8 105.5 49.7 421 176 B H E -OP 355 378D 7 -43,-2.8 -43,-1.5 -2,-0.5 2,-0.4 -0.821 8.3-175.8-106.0 137.5 11.3 105.3 53.5 422 177 B F E -OP 354 377D 0 -68,-2.8 -68,-2.5 -2,-0.4 -45,-0.3 -0.998 20.8-148.7-127.0 126.1 13.3 107.5 55.7 423 178 B N S S+ 0 0 58 -47,-2.7 2,-0.4 -2,-0.4 -46,-0.1 0.828 88.5 34.3 -64.7 -30.3 13.7 106.8 59.4 424 179 B R >> - 0 0 157 -48,-0.5 4,-1.6 1,-0.1 3,-0.7 -0.985 64.6-149.3-132.4 130.2 14.0 110.6 60.1 425 180 B K H 3> S+ 0 0 26 -73,-2.1 4,-2.6 -2,-0.4 5,-0.2 0.886 102.9 59.4 -57.4 -39.7 12.4 113.5 58.4 426 181 B E H 3> S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.836 102.6 51.8 -60.9 -32.3 15.4 115.6 59.2 427 182 B D H <> S+ 0 0 36 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.886 108.8 51.1 -70.6 -39.2 17.7 113.2 57.3 428 183 B Y H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.951 112.2 46.7 -60.2 -49.1 15.4 113.5 54.3 429 184 B L H X S+ 0 0 22 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.868 111.5 49.9 -64.2 -36.3 15.6 117.3 54.5 430 185 B E H X S+ 0 0 62 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.898 110.8 49.9 -69.8 -37.8 19.4 117.3 54.9 431 186 B A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.922 111.8 49.2 -63.6 -43.1 19.8 115.0 51.9 432 187 B Y H X S+ 0 0 18 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.924 110.4 49.9 -61.8 -46.7 17.5 117.3 49.8 433 188 B R H X S+ 0 0 111 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.922 113.1 46.1 -60.7 -42.4 19.5 120.4 50.9 434 189 B E H < S+ 0 0 86 -4,-2.4 3,-0.5 1,-0.2 4,-0.2 0.925 111.7 53.2 -65.5 -41.2 22.8 118.7 49.9 435 190 B Y H >< S+ 0 0 16 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.910 109.3 45.4 -61.9 -45.5 21.3 117.5 46.6 436 191 B V H 3< S+ 0 0 49 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.683 110.8 56.6 -75.4 -11.4 20.1 120.9 45.4 437 192 B A T 3< S+ 0 0 73 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.354 77.1 131.8 -98.0 5.3 23.4 122.5 46.5 438 193 B R S < S- 0 0 32 -3,-1.2 5,-0.1 -4,-0.2 -3,-0.0 -0.228 71.7 -93.0 -57.1 145.1 25.6 120.2 44.3 439 194 B P > - 0 0 64 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.321 41.3-111.1 -58.1 142.8 28.2 121.9 42.2 440 195 B S G > S+ 0 0 97 1,-0.3 3,-2.1 2,-0.2 -2,-0.1 0.789 111.6 68.8 -48.5 -37.5 26.8 122.6 38.7 441 196 B Q G 3 S+ 0 0 154 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.752 93.9 59.6 -58.5 -21.7 29.0 120.1 37.0 442 197 B E G < S+ 0 0 96 -3,-2.2 2,-0.5 2,-0.0 -1,-0.3 0.593 80.9 104.3 -82.8 -10.4 27.2 117.2 38.7 443 198 B W < + 0 0 72 -3,-2.1 3,-0.1 -4,-0.3 -3,-0.0 -0.618 32.6 165.0 -80.9 121.1 23.8 118.1 37.2 444 199 B E S S+ 0 0 158 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.492 72.8 4.9-106.3 -11.5 22.6 115.9 34.4 445 200 B R - 0 0 71 2,-0.1 -1,-0.3 1,-0.1 0, 0.0 -0.971 63.3-124.9-164.5 163.1 19.0 117.1 34.5 446 201 B G S S+ 0 0 47 -2,-0.3 -1,-0.1 -3,-0.1 -116,-0.0 0.690 76.2 103.4 -91.1 -20.5 16.8 119.7 36.3 447 202 B E - 0 0 92 1,-0.1 2,-0.7 -114,-0.0 -116,-0.2 -0.335 64.7-140.5 -64.7 143.5 14.2 117.3 37.6 448 203 B L - 0 0 0 -118,-2.1 -115,-2.0 -2,-0.0 -114,-0.7 -0.886 25.3-179.3-112.5 102.5 14.4 116.5 41.4 449 204 B Y - 0 0 50 -2,-0.7 4,-0.4 -117,-0.2 -42,-0.0 -0.606 30.3-129.3 -98.9 159.4 13.7 112.8 42.1 450 205 B I S >> S+ 0 0 2 -2,-0.2 3,-1.9 1,-0.2 4,-0.5 0.929 96.0 64.6 -74.1 -48.6 13.6 111.0 45.4 451 206 B A T >4 S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.843 96.0 57.1 -47.8 -44.3 15.8 108.0 44.7 452 207 B P T >> S+ 0 0 11 0, 0.0 3,-1.5 0, 0.0 4,-0.6 0.774 91.1 74.6 -61.0 -23.8 19.1 110.0 44.2 453 208 B L H X> S+ 0 0 0 -3,-1.9 4,-1.1 -4,-0.4 3,-0.8 0.814 83.7 66.4 -59.4 -29.0 18.7 111.5 47.6 454 209 B Y H S+ 0 0 36 -3,-1.5 4,-2.2 -4,-0.4 -1,-0.2 0.884 99.7 52.1 -63.8 -33.6 23.3 108.7 47.7 456 211 B E H S+ 0 0 1 -4,-1.1 5,-2.4 2,-0.2 -2,-0.2 0.897 111.9 51.1 -73.2 -41.2 22.7 109.6 53.0 458 213 B I H ><5S+ 0 0 36 -4,-3.0 3,-1.8 1,-0.2 -2,-0.2 0.918 107.9 53.2 -62.8 -42.0 24.9 106.7 52.0 459 214 B Q H 3<5S+ 0 0 151 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.834 104.3 56.6 -62.6 -30.7 27.9 109.0 51.6 460 215 B K T 3<5S- 0 0 97 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.452 123.6-106.8 -79.1 -0.6 27.2 110.3 55.1 461 216 B G T < 5 + 0 0 64 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.645 66.2 153.7 86.4 14.3 27.5 106.7 56.4 462 217 B L < - 0 0 37 -5,-2.4 2,-1.1 1,-0.1 -1,-0.2 -0.455 52.4-108.5 -76.8 153.4 23.8 106.2 57.1 463 218 B N + 0 0 50 -2,-0.1 -87,-2.8 -62,-0.1 -86,-0.9 -0.680 44.6 176.0 -87.8 93.7 22.5 102.7 57.0 464 219 B I E +q 377 0D 0 -2,-1.1 -62,-3.1 -62,-0.3 2,-0.2 -0.850 1.7 174.2-104.1 131.7 20.3 102.3 53.9 465 220 B H E -qT 378 401D 21 -88,-2.2 -86,-2.0 -2,-0.5 2,-0.3 -0.700 22.4-131.0-125.4 174.8 18.7 99.1 52.8 466 221 B Y E -q 379 0D 5 -66,-2.1 2,-0.4 -88,-0.3 -86,-0.2 -0.832 9.0-149.6-121.8 163.2 16.3 97.7 50.2 467 222 B H E -q 380 0D 63 -88,-2.0 -86,-3.0 -2,-0.3 2,-0.4 -0.949 15.8-143.9-136.3 115.0 13.3 95.5 50.6 468 223 B L E -q 381 0D 24 -2,-0.4 2,-0.3 -88,-0.2 -86,-0.2 -0.636 19.4-178.0 -84.0 129.2 12.5 93.1 47.8 469 224 B I - 0 0 3 -88,-2.9 -86,-0.5 -2,-0.4 2,-0.2 -0.838 31.2 -99.9-120.7 163.2 8.9 92.4 47.0 470 225 B A > - 0 0 0 -2,-0.3 3,-2.0 -88,-0.1 4,-0.2 -0.496 30.1-117.1 -80.6 150.4 7.3 90.1 44.3 471 226 B R G > S+ 0 0 91 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.833 113.1 60.3 -56.0 -35.6 6.0 91.6 41.1 472 227 B H G 3 S+ 0 0 63 1,-0.3 -1,-0.3 3,-0.0 -320,-0.2 0.575 94.4 66.3 -71.6 -7.0 2.5 90.5 41.8 473 228 B E G < S+ 0 0 20 -3,-2.0 2,-0.4 -322,-0.1 -1,-0.3 0.458 98.4 56.5 -92.4 -2.6 2.5 92.7 45.0 474 229 B V < - 0 0 2 -3,-1.4 2,-0.5 -4,-0.2 -111,-0.2 -0.994 61.0-166.8-133.7 136.3 2.7 95.9 43.1 475 230 B I E -V 362 0F 59 -113,-2.5 -113,-2.8 -2,-0.4 2,-0.4 -0.988 10.9-153.0-123.4 121.8 0.4 97.4 40.4 476 231 B F E +V 361 0F 25 -2,-0.5 -115,-0.2 -115,-0.2 10,-0.1 -0.808 23.2 164.3 -96.7 134.7 1.5 100.3 38.3 477 232 B C + 0 0 2 -117,-3.3 -116,-0.1 -2,-0.4 -1,-0.1 -0.365 36.4 116.9-143.5 53.1 -1.1 102.6 36.9 478 233 B G + 0 0 22 -118,-0.0 -117,-0.1 5,-0.0 -211,-0.1 0.520 67.5 49.1-103.1 -9.8 0.9 105.7 35.9 479 234 B V S >> S- 0 0 36 -119,-0.1 4,-1.7 -3,-0.1 3,-0.9 -0.921 89.9-107.5-127.2 155.7 0.4 105.8 32.1 480 235 B P H 3> S+ 0 0 12 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.855 117.2 54.2 -48.4 -44.6 -2.8 105.5 30.0 481 236 B D H 3> S+ 0 0 120 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.853 108.3 50.2 -61.7 -34.8 -2.1 102.0 28.8 482 237 B E H <> S+ 0 0 60 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.845 108.1 52.3 -72.1 -34.3 -1.6 100.8 32.4 483 238 B Y H X S+ 0 0 17 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.905 111.4 47.5 -66.9 -40.3 -4.9 102.3 33.4 484 239 B T H X S+ 0 0 54 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.916 112.0 49.3 -65.5 -44.3 -6.6 100.5 30.5 485 240 B D H >X S+ 0 0 63 -4,-2.3 4,-1.5 1,-0.2 3,-0.6 0.898 111.4 49.3 -63.0 -39.0 -4.9 97.3 31.4 486 241 B F H 3< S+ 0 0 23 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.861 103.3 61.7 -66.9 -34.3 -6.0 97.8 35.0 487 242 B L H 3< S+ 0 0 68 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.767 105.4 47.7 -62.6 -26.2 -9.6 98.4 33.8 488 243 B R H << 0 0 163 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.866 360.0 360.0 -83.5 -39.5 -9.6 94.9 32.3 489 244 B Q < 0 0 168 -4,-1.5 -2,-0.2 0, 0.0 -3,-0.1 0.970 360.0 360.0 -72.5 360.0 -8.3 93.1 35.4