==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 02-OCT-08 2V58 . COMPND 2 MOLECULE: BIOTIN CARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.MOCHALKIN,J.R.MILLER . 891 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 625 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 159 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 6 0.7 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 . 71 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 4 1 1 6 3 2 5 0 1 3 0 1 1 1 1 0 0 0 0 0 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 . 5 2 2 5 5 2 2 2 1 1 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 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 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 94 0, 0.0 313,-0.1 0, 0.0 312,-0.0 0.000 360.0 360.0 360.0 137.5 43.9 -27.4 26.0 2 2 A L - 0 0 14 311,-0.3 25,-0.2 1,-0.1 3,-0.1 -0.292 360.0-151.6 -58.2 131.6 42.8 -26.2 22.5 3 3 A D S S- 0 0 80 1,-0.3 24,-2.7 23,-0.2 2,-0.3 0.912 72.1 -2.6 -71.6 -44.7 45.5 -24.1 20.9 4 4 A K E -a 27 0A 29 22,-0.2 72,-3.1 70,-0.1 73,-1.0 -0.988 63.2-170.3-156.0 133.3 43.4 -21.9 18.7 5 5 A I E -ab 28 77A 0 22,-2.2 24,-2.0 -2,-0.3 2,-0.5 -0.940 22.6-126.9-128.7 152.9 39.7 -21.5 17.9 6 6 A V E -ab 29 78A 0 71,-2.7 73,-2.7 -2,-0.3 2,-1.1 -0.867 19.0-143.7 -90.7 126.5 37.4 -19.7 15.5 7 7 A I E -ab 30 79A 0 22,-2.7 2,-1.8 -2,-0.5 24,-0.8 -0.811 14.8-164.8 -89.1 97.8 34.7 -17.7 17.2 8 8 A A + 0 0 5 71,-2.3 77,-0.3 -2,-1.1 2,-0.2 -0.407 59.2 57.7 -87.0 60.4 31.9 -18.2 14.6 9 9 A N - 0 0 4 -2,-1.8 2,-0.2 22,-0.3 22,-0.1 -0.885 66.5-132.1-163.2-168.0 29.6 -15.4 15.9 10 10 A R >> + 0 0 21 -2,-0.2 4,-1.3 22,-0.1 3,-0.5 -0.806 55.1 24.3-146.0-178.6 29.4 -11.7 16.7 11 11 A G H 3> S- 0 0 4 -2,-0.2 4,-1.4 1,-0.2 30,-0.2 -0.119 114.3 -11.7 59.4-141.7 28.3 -9.1 19.3 12 12 A E H 3> S+ 0 0 4 372,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.860 133.8 51.8 -66.9 -40.5 28.1 -9.9 23.0 13 13 A I H <> S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.836 106.9 54.1 -68.8 -33.1 28.5 -13.7 22.8 14 14 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.883 111.3 45.8 -66.0 -38.8 31.6 -13.5 20.6 15 15 A L H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.890 111.2 53.3 -67.5 -41.8 33.1 -11.2 23.3 16 16 A R H X S+ 0 0 2 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.920 112.0 44.6 -56.0 -48.4 31.9 -13.6 26.0 17 17 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.898 110.0 55.7 -64.8 -42.6 33.7 -16.5 24.2 18 18 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.895 106.7 49.6 -57.4 -45.9 36.8 -14.4 23.6 19 19 A R H X S+ 0 0 8 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.910 110.6 50.2 -60.6 -45.2 37.2 -13.7 27.4 20 20 A A H X S+ 0 0 0 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.904 110.9 49.6 -58.1 -44.8 36.8 -17.4 28.2 21 21 A C H ><>S+ 0 0 0 -4,-2.4 5,-3.1 1,-0.2 3,-0.5 0.911 108.9 51.9 -60.3 -46.5 39.5 -18.3 25.6 22 22 A K H ><5S+ 0 0 41 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.850 106.4 54.2 -59.7 -38.5 41.9 -15.7 27.0 23 23 A E H 3<5S+ 0 0 27 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.774 113.0 42.9 -65.4 -29.6 41.5 -17.1 30.5 24 24 A L T <<5S- 0 0 30 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.364 117.2-111.8 -98.6 2.7 42.4 -20.6 29.3 25 25 A G T < 5 + 0 0 60 -3,-0.8 2,-0.5 -4,-0.4 -3,-0.2 0.709 64.3 153.8 73.1 22.4 45.3 -19.3 27.1 26 26 A I < - 0 0 4 -5,-3.1 -1,-0.3 -6,-0.2 -22,-0.2 -0.723 45.0-123.5 -86.5 127.4 43.4 -20.2 23.9 27 27 A K E -a 4 0A 88 -24,-2.7 -22,-2.2 -2,-0.5 2,-0.4 -0.420 29.2-134.5 -66.3 143.6 44.4 -18.2 20.8 28 28 A T E -a 5 0A 0 -24,-0.2 19,-1.8 -2,-0.1 2,-0.5 -0.861 19.5-169.5-112.0 136.0 41.4 -16.4 19.2 29 29 A V E -ac 6 47A 0 -24,-2.0 -22,-2.7 -2,-0.4 2,-0.8 -0.976 13.7-158.8-117.5 113.3 40.4 -16.1 15.5 30 30 A A E -ac 7 48A 0 17,-3.0 19,-2.2 -2,-0.5 2,-0.4 -0.831 4.1-165.4 -95.9 106.2 37.6 -13.6 15.0 31 31 A V E + c 0 49A 0 -24,-0.8 2,-0.3 -2,-0.8 -22,-0.3 -0.772 22.0 167.8 -86.3 134.3 35.6 -14.1 11.8 32 32 A H E - c 0 50A 7 17,-2.1 19,-2.1 -2,-0.4 20,-0.6 -0.981 36.1-111.6-148.2 153.9 33.5 -11.1 10.9 33 33 A S E > - c 0 52A 0 -2,-0.3 3,-1.2 17,-0.2 21,-0.2 -0.328 43.7-103.4 -73.3 167.7 31.4 -9.5 8.2 34 34 A S G > S+ 0 0 49 18,-1.5 3,-0.6 1,-0.3 -1,-0.1 0.717 124.4 56.5 -66.3 -22.0 32.6 -6.3 6.6 35 35 A A G 3 S+ 0 0 41 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.588 103.0 56.3 -81.8 -11.8 30.1 -4.4 8.7 36 36 A D G X + 0 0 2 -3,-1.2 3,-1.4 1,-0.2 -1,-0.2 0.057 64.5 116.3-112.4 23.9 31.6 -5.8 11.9 37 37 A R T < S+ 0 0 131 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.809 80.4 47.6 -59.9 -32.1 35.3 -4.7 11.6 38 38 A D T 3 S+ 0 0 103 -3,-0.3 -1,-0.3 338,-0.1 2,-0.1 0.132 77.4 135.0-103.9 18.8 35.0 -2.5 14.7 39 39 A L <> - 0 0 0 -3,-1.4 4,-2.2 1,-0.1 3,-0.2 -0.454 63.9-121.5 -62.7 139.2 33.3 -5.0 17.0 40 40 A K H > S+ 0 0 17 330,-0.4 4,-1.1 1,-0.2 5,-0.1 0.876 112.1 47.2 -52.1 -46.1 35.0 -5.0 20.5 41 41 A H H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.858 108.8 55.1 -68.3 -35.3 35.9 -8.7 20.3 42 42 A V H >4 S+ 0 0 9 -3,-0.2 3,-0.5 1,-0.2 -1,-0.2 0.927 109.0 48.2 -59.0 -45.5 37.3 -8.3 16.8 43 43 A L H 3< S+ 0 0 106 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.735 115.8 44.5 -67.9 -24.1 39.6 -5.5 18.1 44 44 A L H 3< S+ 0 0 40 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.568 92.0 109.5 -95.1 -12.5 40.7 -7.7 21.0 45 45 A A << - 0 0 17 -4,-1.2 3,-0.1 -3,-0.5 -16,-0.1 -0.248 69.6-133.5 -70.4 152.3 41.2 -10.9 19.0 46 46 A D S S+ 0 0 99 -18,-0.3 2,-0.3 1,-0.2 -17,-0.2 0.872 93.4 14.4 -70.1 -39.2 44.7 -12.5 18.2 47 47 A E E S-c 29 0A 72 -19,-1.8 -17,-3.0 2,-0.0 2,-0.4 -0.989 70.2-158.4-136.8 146.2 43.8 -12.9 14.6 48 48 A T E -c 30 0A 76 -2,-0.3 2,-0.4 -19,-0.2 -17,-0.2 -0.974 6.1-174.5-127.1 140.7 40.9 -11.5 12.4 49 49 A V E -c 31 0A 35 -19,-2.2 -17,-2.1 -2,-0.4 2,-0.7 -0.980 19.8-143.2-133.4 119.9 39.4 -12.8 9.2 50 50 A C E -c 32 0A 52 -2,-0.4 -17,-0.2 -19,-0.2 -19,-0.1 -0.765 19.9-175.9 -79.5 115.9 36.8 -10.9 7.2 51 51 A I E - 0 0 14 -19,-2.1 -18,-0.2 -2,-0.7 -1,-0.1 0.448 51.8 -48.5 -98.2 -3.3 34.6 -13.7 5.9 52 52 A G E S-c 33 0A 18 -20,-0.6 -18,-1.5 13,-0.1 -1,-0.2 -0.945 72.6 -44.5 159.8-178.7 32.2 -11.7 3.7 53 53 A P - 0 0 63 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 -0.048 68.6 -82.6 -69.6 179.1 29.8 -8.8 3.3 54 54 A A S S+ 0 0 10 -21,-0.2 6,-0.2 5,-0.1 -21,-0.1 0.850 98.3 91.6 -55.7 -48.9 27.2 -7.6 5.8 55 55 A P S > S- 0 0 64 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.284 78.8-129.8 -58.1 134.6 24.3 -9.9 5.1 56 56 A S G > >S+ 0 0 26 324,-0.3 5,-3.0 1,-0.3 3,-1.0 0.760 101.7 66.9 -56.4 -32.7 24.5 -13.1 7.3 57 57 A V G 3 5S+ 0 0 102 1,-0.3 -1,-0.3 3,-0.2 -3,-0.1 0.784 109.3 37.8 -61.5 -28.5 24.1 -15.5 4.3 58 58 A K G < 5S+ 0 0 113 -3,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.376 134.1 19.1-105.2 1.4 27.5 -14.4 3.0 59 59 A S T X 5S+ 0 0 0 -3,-1.0 3,-1.4 -4,-0.5 -3,-0.2 0.407 128.7 22.3-128.0 -86.8 29.2 -14.1 6.4 60 60 A Y T 3 5S+ 0 0 1 1,-0.3 25,-0.3 -6,-0.2 -3,-0.2 0.581 132.5 39.5 -73.3 -10.9 27.9 -15.7 9.6 61 61 A L T 3 - 0 0 26 -3,-1.4 4,-1.9 -6,-0.5 5,-0.2 -0.603 44.7-176.5 -79.9 90.7 28.6 -18.8 5.2 63 63 A I H > S+ 0 0 26 -2,-1.4 4,-2.4 1,-0.2 5,-0.3 0.912 78.5 48.1 -57.4 -53.0 29.8 -22.4 5.9 64 64 A P H > S+ 0 0 84 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.871 112.6 50.1 -56.5 -39.1 32.7 -22.6 3.3 65 65 A A H > S+ 0 0 21 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.858 111.5 47.2 -68.4 -37.5 34.1 -19.2 4.4 66 66 A I H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.917 114.2 46.1 -71.5 -45.1 34.1 -20.1 8.2 67 67 A I H X S+ 0 0 8 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.898 111.6 52.8 -63.3 -40.9 35.8 -23.4 7.6 68 68 A S H X S+ 0 0 70 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.2 0.862 106.5 53.3 -62.1 -37.3 38.3 -21.8 5.3 69 69 A A H X S+ 0 0 2 -4,-1.6 4,-1.5 2,-0.2 6,-0.3 0.880 109.0 48.9 -64.1 -40.5 39.1 -19.2 8.0 70 70 A A H X>S+ 0 0 0 -4,-1.7 5,-1.8 2,-0.2 4,-0.9 0.901 113.6 48.2 -62.7 -42.6 39.8 -22.1 10.4 71 71 A E H ><5S+ 0 0 118 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.944 111.9 46.5 -62.7 -51.4 42.0 -23.8 7.8 72 72 A I H 3<5S+ 0 0 146 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.790 116.3 44.3 -67.5 -29.5 44.1 -20.7 6.9 73 73 A T H 3<5S- 0 0 16 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.608 108.3-119.9 -89.4 -14.5 44.7 -19.6 10.6 74 74 A G T <<5 + 0 0 44 -4,-0.9 -3,-0.2 -3,-0.6 -4,-0.1 0.770 52.8 166.2 75.6 28.1 45.5 -23.2 11.8 75 75 A A < - 0 0 4 -5,-1.8 -70,-0.2 -6,-0.3 -1,-0.2 -0.393 29.3-157.2 -71.3 153.7 42.7 -23.1 14.2 76 76 A V + 0 0 51 -72,-3.1 25,-2.6 1,-0.2 2,-0.3 0.587 68.0 26.6-108.1 -16.5 41.7 -26.5 15.8 77 77 A A E -bd 5 101A 0 -73,-1.0 -71,-2.7 23,-0.2 2,-0.4 -0.955 60.2-140.4-147.9 159.9 38.1 -25.8 16.8 78 78 A I E -bd 6 102A 0 23,-2.8 25,-2.6 -2,-0.3 -71,-0.2 -0.992 6.8-159.0-128.9 124.4 35.0 -23.7 16.1 79 79 A H E -b 7 0A 1 -73,-2.7 -71,-2.3 -2,-0.4 25,-0.1 -0.922 4.0-170.2-100.1 116.7 32.6 -22.1 18.6 80 80 A P - 0 0 6 0, 0.0 6,-0.4 0, 0.0 5,-0.3 0.561 17.0-160.9 -82.6 -9.9 29.3 -21.3 17.0 81 81 A G - 0 0 1 22,-0.2 212,-0.5 4,-0.1 2,-0.3 -0.430 46.6 -43.4 63.3-137.7 27.9 -19.3 20.0 82 82 A Y S S+ 0 0 28 210,-0.1 3,-0.2 -2,-0.1 212,-0.1 -0.831 108.3 12.7-119.0 166.1 24.1 -19.1 19.8 83 83 A G S > S+ 0 0 36 -2,-0.3 3,-2.5 1,-0.2 4,-0.2 -0.293 101.3 58.5 65.4-157.0 21.9 -18.4 16.8 84 84 A F T 3 S- 0 0 66 1,-0.3 3,-0.2 2,-0.1 -1,-0.2 -0.110 128.7 -15.5 39.2-107.9 23.4 -18.5 13.3 85 85 A L T > S+ 0 0 10 -77,-0.3 3,-2.0 -5,-0.3 -1,-0.3 0.334 102.2 108.3-107.6 6.7 24.8 -22.0 12.8 86 86 A S T < S+ 0 0 3 -3,-2.5 -1,-0.2 -6,-0.4 -2,-0.1 0.735 90.6 34.6 -59.9 -26.9 24.9 -23.3 16.4 87 87 A E T 3 S+ 0 0 61 -3,-0.2 2,-0.9 -4,-0.2 -1,-0.3 0.149 88.4 117.1-112.3 16.1 22.0 -25.7 15.8 88 88 A N <> - 0 0 56 -3,-2.0 4,-2.1 1,-0.2 5,-0.2 -0.773 42.8-172.0 -89.6 103.4 22.9 -26.6 12.2 89 89 A A H > S+ 0 0 12 -2,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.845 85.1 55.8 -64.3 -37.8 23.7 -30.3 12.2 90 90 A N H > S+ 0 0 90 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.871 108.3 48.6 -62.1 -39.0 25.0 -30.2 8.6 91 91 A F H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.933 111.4 48.4 -64.7 -48.6 27.5 -27.5 9.6 92 92 A A H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.872 112.1 51.6 -57.9 -39.7 28.7 -29.5 12.7 93 93 A E H X S+ 0 0 68 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.934 111.2 45.8 -60.4 -51.4 29.0 -32.5 10.3 94 94 A Q H X S+ 0 0 67 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.859 110.0 55.2 -61.9 -40.0 31.1 -30.5 7.8 95 95 A V H <>S+ 0 0 0 -4,-2.7 5,-2.5 2,-0.2 4,-0.3 0.945 113.1 40.3 -58.7 -51.8 33.3 -29.0 10.6 96 96 A E H ><5S+ 0 0 79 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.882 113.4 55.5 -65.6 -39.6 34.2 -32.5 12.0 97 97 A R H 3<5S+ 0 0 164 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.863 105.3 52.4 -58.5 -40.0 34.6 -33.8 8.4 98 98 A S T 3<5S- 0 0 54 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.529 126.3-104.7 -76.4 -7.6 37.1 -31.1 7.7 99 99 A G T < 5S+ 0 0 64 -3,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.574 80.5 121.9 96.7 12.9 39.0 -32.2 10.8 100 100 A F < - 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0 0 128 -2,-0.1 -1,-0.2 1,-0.1 -41,-0.1 -0.131 45.4-122.5 -63.7 160.3 43.9 11.8 45.9 830 383 B S S S+ 0 0 31 -43,-0.1 -42,-3.3 -32,-0.0 2,-0.4 0.708 78.7 105.8 -79.4 -22.0 45.1 10.0 42.8 831 384 B M E +D 787 0I 26 -44,-0.3 -372,-0.3 1,-0.2 -44,-0.3 -0.472 33.4 162.7 -69.4 117.0 42.9 6.9 43.1 832 385 B I E - 0 0 3 -46,-2.6 -14,-0.6 -2,-0.4 -15,-0.5 0.492 60.7 -3.1-110.7 -10.0 40.1 7.1 40.5 833 386 B G E -DE 786 816I 0 -47,-1.6 -47,-3.2 -17,-0.2 2,-0.4 -0.991 51.7-134.4-172.3 166.5 39.0 3.5 40.5 834 387 B K E -DE 785 815I 0 -19,-1.7 -19,-2.8 -2,-0.3 2,-0.6 -0.992 11.3-157.4-137.2 128.5 39.3 -0.1 41.6 835 388 B L E -DE 784 814I 0 -51,-2.6 -51,-2.8 -2,-0.4 2,-0.5 -0.935 15.0-173.4-106.8 118.5 39.2 -3.2 39.5 836 389 B I E -DE 783 813I 0 -23,-3.1 -23,-3.3 -2,-0.6 2,-0.4 -0.956 2.5-171.6-117.8 122.3 38.2 -6.4 41.4 837 390 B C E -DE 782 812I 0 -55,-2.6 -55,-2.5 -2,-0.5 2,-0.4 -0.955 3.1-164.4-118.2 133.2 38.3 -9.8 39.8 838 391 B Y E +D 781 0I 43 -27,-3.0 2,-0.3 -2,-0.4 -57,-0.2 -0.882 11.9 166.8-114.3 144.2 37.0 -13.0 41.4 839 392 B G E -D 780 0I 0 -59,-2.5 -59,-2.7 -2,-0.4 6,-0.1 -0.957 51.4-104.7-145.0 166.1 37.6 -16.7 40.6 840 393 B E S S+ 0 0 77 -2,-0.3 -61,-0.4 -61,-0.2 2,-0.3 0.688 110.6 13.3 -63.5 -18.6 37.0 -20.1 42.1 841 394 B N S > S- 0 0 74 -61,-0.2 4,-2.0 -62,-0.1 -61,-0.3 -0.944 90.0 -97.3-148.2 171.0 40.8 -20.0 42.8 842 395 B R H > S+ 0 0 30 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.852 118.5 55.3 -59.2 -40.5 43.7 -17.5 42.8 843 396 B D H > S+ 0 0 112 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.896 109.1 47.2 -61.3 -42.8 44.9 -18.4 39.2 844 397 B V H > S+ 0 0 13 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.889 110.8 52.1 -65.2 -42.5 41.4 -17.7 37.7 845 398 B A H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.898 113.4 44.4 -59.3 -43.2 41.2 -14.4 39.6 846 399 B I H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.914 111.7 52.1 -67.9 -45.9 44.6 -13.4 38.2 847 400 B A H X S+ 0 0 20 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.898 111.4 47.8 -57.3 -43.6 43.8 -14.6 34.7 848 401 B R H X S+ 0 0 4 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.853 109.1 54.0 -66.0 -36.5 40.5 -12.5 34.8 849 402 B M H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.918 105.9 52.5 -63.5 -45.2 42.4 -9.5 36.1 850 403 B K H X S+ 0 0 55 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.915 113.6 44.0 -53.8 -48.0 44.9 -9.7 33.1 851 404 B N H X S+ 0 0 13 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.917 113.5 50.4 -63.2 -47.0 41.9 -9.7 30.7 852 405 B A H X S+ 0 0 1 -4,-2.7 4,-1.5 1,-0.2 3,-0.2 0.882 107.7 52.5 -61.3 -42.2 40.1 -6.9 32.5 853 406 B L H < S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.845 107.1 53.3 -64.2 -35.8 43.1 -4.6 32.6 854 407 B Q H < S+ 0 0 106 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.813 110.0 47.8 -66.6 -33.7 43.6 -5.0 28.8 855 408 B E H < S+ 0 0 9 -4,-1.3 2,-0.3 -3,-0.2 -2,-0.2 0.755 89.2 101.9 -77.3 -28.2 39.9 -4.0 28.2 856 409 B L < - 0 0 12 -4,-1.5 2,-0.5 -5,-0.1 -50,-0.2 -0.432 53.4-170.1 -66.9 121.8 40.1 -1.0 30.4 857 410 B I E +K 805 0M 46 -52,-2.2 -52,-1.9 -2,-0.3 2,-0.3 -0.970 16.9 162.6-117.4 120.8 40.5 2.3 28.5 858 411 B I E +K 804 0M 14 -2,-0.5 2,-0.3 -54,-0.2 -54,-0.2 -0.861 15.6 175.5-136.4 100.7 41.3 5.6 30.2 859 412 B D E +K 803 0M 58 -56,-2.5 -57,-1.7 -2,-0.3 -56,-0.8 -0.754 53.9 44.2-106.8 152.6 42.6 8.2 27.7 860 413 B G S S+ 0 0 57 -2,-0.3 2,-0.3 -59,-0.2 -60,-0.2 0.033 109.5 51.2 105.3 -25.0 43.5 11.8 28.4 861 414 B I S S- 0 0 17 -3,-0.2 2,-0.3 -62,-0.1 -1,-0.2 -0.927 88.1-103.0-135.2 160.4 45.4 11.2 31.6 862 415 B K - 0 0 109 -2,-0.3 2,-0.3 -64,-0.1 -65,-0.2 -0.643 40.4-176.2 -80.8 143.0 48.2 8.9 32.7 863 416 B T - 0 0 20 -2,-0.3 3,-0.4 -75,-0.2 -75,-0.2 -0.891 37.9-120.3-132.3 166.8 47.2 5.9 34.8 864 417 B N S > S+ 0 0 2 -77,-1.2 4,-2.2 -2,-0.3 3,-0.3 0.174 79.4 112.6 -89.5 15.9 49.0 3.0 36.6 865 418 B V H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 74.6 52.9 -55.8 -44.3 47.2 0.4 34.4 866 419 B D H > S+ 0 0 100 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.840 108.3 50.8 -61.7 -36.3 50.5 -0.5 32.7 867 420 B L H > S+ 0 0 1 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.903 108.3 52.1 -64.2 -43.2 52.1 -1.1 36.1 868 421 B Q H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.888 108.1 50.9 -62.8 -39.9 49.2 -3.3 37.2 869 422 B I H X S+ 0 0 45 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.909 109.6 51.5 -60.6 -43.5 49.6 -5.4 34.0 870 423 B R H < S+ 0 0 84 -4,-1.8 4,-0.4 2,-0.2 -2,-0.2 0.897 110.8 47.8 -58.0 -44.7 53.3 -5.7 34.9 871 424 B I H >< S+ 0 0 1 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.901 109.8 51.2 -65.9 -43.9 52.4 -6.9 38.4 872 425 B M H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.851 111.7 48.9 -61.3 -35.3 49.9 -9.5 37.2 873 426 B N T 3< S+ 0 0 89 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.2 0.498 85.9 116.5 -80.5 -7.1 52.5 -10.8 34.8 874 427 B D <> - 0 0 12 -3,-1.1 4,-2.4 -4,-0.4 5,-0.2 -0.495 60.3-147.6 -71.8 126.2 55.1 -11.1 37.6 875 428 B E H > S+ 0 0 163 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.826 98.0 51.0 -64.2 -35.8 56.2 -14.6 38.2 876 429 B N H > S+ 0 0 89 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.851 111.6 47.8 -71.4 -35.8 56.8 -14.0 42.0 877 430 B F H 4 S+ 0 0 3 2,-0.2 -2,-0.2 -6,-0.2 -1,-0.2 0.895 109.4 53.2 -66.7 -42.5 53.3 -12.5 42.3 878 431 B Q H < S+ 0 0 60 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.836 109.6 48.6 -63.4 -34.5 51.8 -15.4 40.4 879 432 B H H < S- 0 0 162 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.910 111.1-148.4 -65.7 -45.2 53.5 -17.8 42.9 880 433 B G < + 0 0 9 -4,-2.0 -2,-0.1 -5,-0.1 -1,-0.1 0.010 62.0 79.0 96.6 158.7 52.1 -15.6 45.7 881 434 B G + 0 0 30 1,-0.2 -4,-0.1 -4,-0.2 2,-0.1 0.719 52.8 162.9 81.0 25.1 53.1 -14.6 49.2 882 435 B T - 0 0 27 -6,-0.1 -1,-0.2 1,-0.1 -204,-0.1 -0.406 35.7-113.3 -71.8 152.4 55.6 -11.8 48.3 883 436 B N > - 0 0 41 -228,-0.1 3,-1.3 -2,-0.1 4,-0.3 -0.132 30.1 -91.7 -84.0-179.8 56.6 -9.4 51.2 884 437 B I T 3 S+ 0 0 32 -230,-2.2 -204,-0.3 1,-0.2 4,-0.2 0.634 122.3 52.1 -66.2 -16.8 55.9 -5.7 51.6 885 438 B H T 3> S+ 0 0 40 -231,-0.2 4,-1.3 1,-0.1 -1,-0.2 0.463 81.5 93.8-100.5 -3.0 59.3 -4.7 50.0 886 439 B Y H <> S+ 0 0 36 -3,-1.3 4,-2.0 1,-0.2 3,-0.3 0.888 82.9 48.8 -60.7 -46.9 58.9 -6.7 46.8 887 440 B L H > S+ 0 0 0 -4,-0.3 4,-2.4 -207,-0.3 -1,-0.2 0.873 107.6 56.3 -62.8 -38.4 57.4 -4.0 44.5 888 441 B E H > S+ 0 0 75 -208,-0.3 4,-0.8 -4,-0.2 -1,-0.2 0.834 112.4 40.7 -64.6 -36.3 60.0 -1.5 45.5 889 442 B K H < S+ 0 0 135 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.767 111.5 55.9 -85.3 -27.8 62.9 -3.7 44.5 890 443 B K H < S+ 0 0 81 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.919 115.7 39.1 -63.0 -45.1 61.2 -4.9 41.3 891 444 B L H < 0 0 64 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.723 360.0 360.0 -75.6 -24.4 60.8 -1.3 40.3 892 445 B G < 0 0 95 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.387 360.0 360.0 -80.8 360.0 64.3 -0.4 41.6