==== 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 OXIDOREDUCTASE 12-JUN-08 3DFZ . COMPND 2 MOLECULE: PRECORRIN-2 DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS MEGATERIUM; . AUTHOR H.L.SCHUBERT,C.P.HILL,M.J.WARREN . 395 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21511.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 7.3 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 . 0 0.0 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 . 1 0.3 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 . 35 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 34.7 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+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 2 0 1 2 1 5 0 1 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 5 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 PARALLEL BRIDGES PER LADDER . 0 2 0 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 1 0 0 0 1 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 86 0, 0.0 2,-0.4 0, 0.0 204,-0.1 0.000 360.0 360.0 360.0 -86.0 9.8 35.3 74.9 2 2 A Y - 0 0 12 202,-0.4 202,-3.7 228,-0.1 2,-0.3 -0.852 360.0-161.8-127.6 99.0 9.0 34.1 78.4 3 3 A T E +A 203 0A 5 -2,-0.4 2,-0.3 200,-0.3 200,-0.2 -0.590 18.8 161.2 -81.8 130.4 9.1 36.9 81.1 4 4 A V E -A 202 0A 1 198,-2.8 198,-2.3 -2,-0.3 2,-0.5 -0.940 41.4-114.3-140.8 162.7 9.4 35.9 84.8 5 5 A M E -AB 201 306A 1 301,-3.5 301,-2.4 -2,-0.3 2,-0.5 -0.903 34.6-158.4 -96.1 129.8 10.4 37.3 88.1 6 6 A L E -AB 200 305A 2 194,-3.6 194,-3.5 -2,-0.5 2,-0.8 -0.952 14.2-130.9-118.6 125.6 13.5 35.5 89.4 7 7 A D + 0 0 52 297,-2.1 26,-0.1 -2,-0.5 25,-0.0 -0.660 38.1 157.3 -80.1 107.9 14.4 35.5 93.1 8 8 A L > + 0 0 4 -2,-0.8 3,-2.7 24,-0.3 2,-0.3 0.436 26.7 134.1-106.0 -3.6 18.1 36.5 93.5 9 9 A K T 3 S- 0 0 149 1,-0.3 24,-0.2 -3,-0.1 25,-0.1 -0.309 88.1 -7.8 -57.2 108.2 17.7 37.6 97.1 10 10 A G T 3 S+ 0 0 61 23,-1.5 -1,-0.3 -2,-0.3 2,-0.2 0.450 108.1 130.9 84.2 4.5 20.7 36.1 98.9 11 11 A R < - 0 0 51 -3,-2.7 2,-0.5 23,-0.1 -1,-0.3 -0.514 63.5 -98.2 -95.9 157.8 21.7 34.0 95.9 12 12 A S - 0 0 41 58,-0.2 61,-2.1 -2,-0.2 60,-0.5 -0.595 37.0-175.3 -78.2 118.9 25.1 33.6 94.3 13 13 A V E -ij 36 73B 3 22,-2.6 24,-2.6 -2,-0.5 2,-0.5 -0.948 4.7-167.8-117.7 119.4 25.8 35.6 91.1 14 14 A L E -ij 37 74B 6 59,-2.0 61,-3.7 -2,-0.5 2,-0.6 -0.889 3.8-162.2-105.1 126.9 29.0 35.3 89.0 15 15 A V E -ij 38 75B 0 22,-3.4 24,-2.6 -2,-0.5 2,-1.0 -0.917 4.6-158.4-106.6 116.0 29.9 37.8 86.4 16 16 A V E +ij 39 76B 3 59,-3.9 62,-2.3 -2,-0.6 61,-0.8 -0.790 64.8 35.1 -97.0 100.7 32.5 36.6 83.8 17 17 A G - 0 0 4 22,-1.2 22,-0.2 -2,-1.0 -2,-0.1 -0.701 57.2-146.6 133.8 167.4 34.0 39.7 82.4 18 18 A G + 0 0 6 -2,-0.2 26,-0.9 25,-0.1 29,-0.2 0.325 62.0 94.5-155.3 1.9 34.9 43.2 83.5 19 19 A G S > S- 0 0 46 24,-0.2 4,-1.9 25,-0.1 25,-0.2 0.249 95.4 -59.5 -83.4-148.0 34.4 45.6 80.6 20 20 A T H > S+ 0 0 113 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.850 132.5 48.2 -75.9 -40.2 31.4 47.8 79.7 21 21 A I H > S+ 0 0 43 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.941 112.6 51.3 -59.1 -50.3 28.7 45.1 79.4 22 22 A A H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.901 109.4 49.7 -52.5 -46.9 29.9 43.5 82.7 23 23 A T H X S+ 0 0 16 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.892 111.5 49.5 -61.2 -43.2 29.6 46.9 84.4 24 24 A R H X S+ 0 0 154 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.932 109.1 51.6 -60.8 -49.7 26.1 47.4 83.0 25 25 A R H X S+ 0 0 59 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.929 111.9 46.1 -54.5 -50.8 24.9 44.0 84.1 26 26 A I H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.897 108.7 54.4 -61.2 -44.9 26.1 44.6 87.7 27 27 A K H >< S+ 0 0 158 -4,-2.2 3,-0.7 1,-0.2 4,-0.4 0.943 107.3 55.9 -52.3 -46.5 24.6 48.1 87.8 28 28 A G H 3< S+ 0 0 39 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.886 116.9 29.2 -51.4 -53.3 21.3 46.3 86.8 29 29 A F H >< S+ 0 0 3 -4,-1.7 3,-1.4 1,-0.2 5,-0.5 0.255 84.4 105.9-105.5 15.6 21.1 43.8 89.7 30 30 A L G X< S+ 0 0 42 -4,-1.2 3,-0.6 -3,-0.7 4,-0.3 0.906 81.5 52.1 -53.3 -46.1 23.0 45.5 92.6 31 31 A Q G 3 S+ 0 0 142 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 0.581 90.3 90.5 -65.3 -7.0 19.7 46.3 94.5 32 32 A E G < S- 0 0 30 -3,-1.4 -24,-0.3 1,-0.1 -1,-0.2 0.280 111.6 -82.7 -88.8 6.6 18.7 42.6 94.3 33 33 A G < - 0 0 37 -3,-0.6 -23,-1.5 -24,-0.2 -1,-0.1 0.493 69.9-157.8 100.7 0.4 20.0 40.8 97.4 34 34 A A + 0 0 33 -5,-0.5 -23,-0.1 -4,-0.3 22,-0.1 0.296 45.6 171.1 51.2-141.4 23.5 40.3 95.9 35 35 A A - 0 0 57 20,-0.3 -22,-2.6 1,-0.2 2,-0.4 0.855 38.5-179.1 73.0 57.5 26.4 37.9 96.5 36 36 A I E +i 13 0B 9 19,-0.4 21,-2.2 -24,-0.2 2,-0.4 -0.717 16.7 179.6 -94.6 127.5 28.2 39.2 93.4 37 37 A T E -ik 14 57B 32 -24,-2.6 -22,-3.4 -2,-0.4 2,-0.5 -0.992 10.6-158.8-124.0 133.6 31.6 37.9 92.2 38 38 A V E -ik 15 58B 0 19,-2.9 21,-2.4 -2,-0.4 2,-0.5 -0.965 4.3-167.6-113.4 128.6 33.4 39.2 89.1 39 39 A V E +ik 16 59B 3 -24,-2.6 -22,-1.2 -2,-0.5 21,-0.2 -0.950 32.4 118.7-118.8 109.8 36.0 37.1 87.4 40 40 A A - 0 0 9 19,-1.5 21,-0.2 -2,-0.5 22,-0.1 -0.959 66.0-116.4-157.5 156.5 38.2 38.8 84.7 41 41 A P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.958 106.9 13.2 -56.3 -52.1 42.0 39.5 84.1 42 42 A T S S- 0 0 112 -3,-0.1 2,-0.2 19,-0.1 19,-0.1 -0.910 73.7-164.8-119.9 149.2 41.1 43.3 84.2 43 43 A V - 0 0 12 -2,-0.3 -24,-0.2 -3,-0.1 2,-0.1 -0.764 26.9 -93.7-119.5 177.8 38.0 45.1 85.4 44 44 A S > - 0 0 21 -26,-0.9 4,-2.8 -2,-0.2 5,-0.2 -0.376 32.6-105.7 -90.1 166.3 36.6 48.6 84.9 45 45 A A H > S+ 0 0 64 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.899 122.3 51.7 -53.2 -43.6 36.9 51.8 87.1 46 46 A E H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.884 109.8 46.3 -64.4 -43.0 33.3 51.3 88.1 47 47 A I H > S+ 0 0 0 -29,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.919 113.0 52.1 -65.5 -41.3 33.7 47.6 89.1 48 48 A N H X S+ 0 0 55 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.938 108.2 50.0 -56.4 -48.2 36.9 48.8 91.0 49 49 A E H X S+ 0 0 121 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.912 113.6 46.4 -58.3 -44.5 34.9 51.5 92.8 50 50 A W H <>S+ 0 0 39 -4,-2.3 5,-2.4 2,-0.2 6,-0.8 0.871 110.7 51.8 -64.1 -42.6 32.2 48.8 93.8 51 51 A E H ><5S+ 0 0 63 -4,-2.9 3,-1.5 1,-0.2 -2,-0.2 0.938 109.7 51.1 -55.6 -48.3 34.9 46.3 94.9 52 52 A A H 3<5S+ 0 0 82 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.742 106.8 53.5 -64.8 -26.2 36.4 49.1 97.1 53 53 A K T 3<5S- 0 0 153 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.384 117.4-108.6 -89.1 2.7 33.0 49.9 98.7 54 54 A G T < 5S+ 0 0 70 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.676 89.6 115.5 79.5 20.1 32.4 46.2 99.7 55 55 A Q S > - 0 0 8 26,-0.0 3,-2.6 23,-0.0 4,-0.6 -0.870 45.9 -90.6-131.2 174.8 38.3 28.0 85.6 65 65 A E G >4 S+ 0 0 128 1,-0.3 3,-0.5 -2,-0.3 -2,-0.1 0.717 121.5 67.4 -56.4 -20.6 36.0 25.2 86.6 66 66 A E G 34 S+ 0 0 106 1,-0.2 3,-0.5 2,-0.1 -1,-0.3 0.707 97.3 53.6 -73.2 -20.5 36.6 26.1 90.3 67 67 A D G <4 S+ 0 0 10 -3,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.683 100.3 61.8 -83.3 -18.6 34.8 29.4 89.7 68 68 A L S << S+ 0 0 14 -4,-0.6 3,-0.4 -3,-0.5 2,-0.4 0.102 73.8 123.6-100.6 19.8 31.6 27.7 88.3 69 69 A L S S- 0 0 118 -3,-0.5 22,-0.0 1,-0.2 -3,-0.0 -0.696 85.0 -19.4 -92.0 131.1 30.6 25.7 91.4 70 70 A N S S+ 0 0 142 -2,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.759 84.6 157.6 44.5 38.7 27.2 26.1 93.0 71 71 A V - 0 0 8 -3,-0.4 25,-0.2 1,-0.2 3,-0.2 -0.833 32.8-157.0 -92.2 124.8 26.5 29.4 91.3 72 72 A F S S+ 0 0 8 -2,-0.5 24,-0.7 -60,-0.5 2,-0.4 0.937 80.6 15.1 -65.2 -47.3 22.8 30.2 91.1 73 73 A F E -jl 13 96B 0 -61,-2.1 -59,-2.0 22,-0.1 2,-0.4 -0.993 68.5-163.7-138.0 123.2 23.1 32.6 88.2 74 74 A I E -jl 14 97B 0 22,-2.3 24,-2.3 -2,-0.4 2,-0.6 -0.922 2.6-162.4-110.9 128.9 26.1 33.1 85.9 75 75 A V E -jl 15 98B 0 -61,-3.7 -59,-3.9 -2,-0.4 2,-1.2 -0.939 3.2-163.8-110.2 112.0 26.5 36.2 83.7 76 76 A V E +j 16 0B 3 22,-2.9 -59,-0.1 -2,-0.6 -61,-0.1 -0.735 22.1 162.7 -93.9 87.4 29.0 35.8 80.8 77 77 A A + 0 0 8 -2,-1.2 -60,-0.2 -61,-0.8 -1,-0.2 0.868 43.3 93.0 -74.6 -36.5 29.5 39.5 80.0 78 78 A T - 0 0 42 -62,-2.3 3,-0.1 -3,-0.2 -62,-0.1 -0.047 62.7-150.4 -60.4 156.1 32.7 39.1 78.0 79 79 A N + 0 0 135 1,-0.1 2,-2.1 4,-0.0 -1,-0.1 0.418 55.3 128.2 -96.7 -2.6 32.9 38.6 74.2 80 80 A D > - 0 0 90 1,-0.2 2,-3.9 2,-0.1 3,-1.3 0.059 53.8-150.3 -69.4 27.7 36.1 36.5 74.4 81 81 A Q T 3> S+ 0 0 164 -2,-2.1 4,-1.8 1,-0.3 -1,-0.2 -0.013 92.2 51.8 55.8 -59.7 35.0 33.5 72.4 82 82 A A H 3> S+ 0 0 67 -2,-3.9 4,-2.8 2,-0.2 -1,-0.3 0.858 110.1 48.3 -75.7 -40.0 37.3 31.0 74.3 83 83 A V H <> S+ 0 0 34 -3,-1.3 4,-2.6 2,-0.2 5,-0.2 0.950 112.7 48.8 -63.5 -49.4 35.9 32.2 77.7 84 84 A N H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.898 113.8 46.9 -54.2 -45.5 32.3 31.9 76.4 85 85 A K H X S+ 0 0 134 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.950 111.7 50.6 -61.4 -51.9 33.1 28.4 75.0 86 86 A F H X S+ 0 0 57 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.910 111.4 46.8 -51.7 -51.4 34.8 27.3 78.3 87 87 A V H >X S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 4,-0.7 0.945 112.8 50.0 -59.9 -51.7 31.9 28.4 80.5 88 88 A K H 3< S+ 0 0 116 -4,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.806 112.0 48.3 -53.1 -38.9 29.4 26.7 78.2 89 89 A Q H 3< S+ 0 0 126 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.671 115.6 44.3 -77.7 -17.2 31.4 23.5 78.3 90 90 A H H << S+ 0 0 75 -4,-1.1 2,-0.3 -3,-1.0 -2,-0.2 0.341 90.8 90.9-116.1 5.7 31.8 23.5 82.1 91 91 A I S < S- 0 0 34 -4,-0.7 -22,-0.1 -3,-0.3 6,-0.0 -0.695 76.7-108.0 -97.6 155.3 28.3 24.3 83.5 92 92 A K > - 0 0 179 -2,-0.3 3,-0.8 1,-0.1 -1,-0.1 -0.192 35.8-100.1 -68.4 168.8 25.6 21.8 84.4 93 93 A N T 3 S+ 0 0 144 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.865 119.7 42.5 -58.7 -41.3 22.5 21.3 82.3 94 94 A D T 3 S+ 0 0 83 2,-0.1 2,-0.3 175,-0.0 -1,-0.2 0.245 81.1 135.5-100.8 10.6 20.2 23.4 84.5 95 95 A Q < - 0 0 24 -3,-0.8 2,-0.5 1,-0.1 8,-0.1 -0.449 56.7-129.4 -56.8 119.1 22.6 26.2 85.1 96 96 A L E +l 73 0B 6 -24,-0.7 -22,-2.3 -2,-0.3 2,-0.3 -0.664 41.3 169.9 -67.9 121.1 21.0 29.7 84.8 97 97 A V E -l 74 0B 4 -2,-0.5 6,-2.3 -24,-0.2 7,-1.3 -0.981 31.3-155.3-145.6 126.4 23.3 31.6 82.4 98 98 A N E l 75 0B 9 -24,-2.3 -22,-2.9 -2,-0.3 4,-0.1 -0.906 360.0 360.0 -96.1 120.0 23.0 34.9 80.6 99 99 A M 0 0 65 -2,-0.6 3,-0.2 5,-0.4 -1,-0.1 0.562 360.0 360.0-122.9 360.0 25.2 34.9 77.5 100 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 101 105 A D 0 0 172 0, 0.0 -2,-0.4 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-127.4 23.0 30.2 73.7 102 106 A G - 0 0 14 -3,-0.2 -4,-0.2 -4,-0.1 -6,-0.1 0.000 360.0-124.8 78.5 162.3 22.3 30.9 77.4 103 107 A N S S+ 0 0 2 -6,-2.3 102,-2.4 -8,-0.1 2,-0.4 0.234 81.9 74.6-129.6 10.1 18.8 30.7 78.9 104 108 A I E -C 204 0A 8 -7,-1.3 -5,-0.4 100,-0.2 2,-0.4 -0.990 49.3-177.7-131.3 120.3 18.5 34.2 80.5 105 109 A Q E -C 203 0A 100 98,-2.2 98,-2.8 -2,-0.4 -7,-0.0 -0.915 21.1-140.7-103.7 144.2 17.9 37.5 78.8 106 110 A I - 0 0 42 -2,-0.4 96,-0.2 96,-0.2 2,-0.1 -0.910 16.5-156.3-109.5 111.7 17.8 40.7 80.9 107 111 A P - 0 0 15 0, 0.0 13,-0.1 0, 0.0 94,-0.1 -0.439 33.3 -88.9 -77.0 155.3 15.2 43.3 79.9 108 112 A A E +M 119 0C 35 11,-0.7 11,-2.9 -2,-0.1 2,-0.3 -0.414 68.9 146.0 -53.4 134.2 15.4 47.0 80.7 109 113 A Q E -M 118 0C 21 9,-0.3 2,-0.3 -3,-0.1 9,-0.3 -0.977 33.1-158.5-160.0 168.5 13.6 47.5 84.0 110 114 A F E -M 117 0C 20 7,-2.2 7,-2.5 -2,-0.3 2,-0.3 -0.968 11.5-149.6-149.2 164.1 13.6 49.4 87.3 111 115 A S E -M 116 0C 17 -2,-0.3 2,-0.3 5,-0.2 5,-0.3 -0.924 18.0-161.6-131.9 159.4 12.2 48.8 90.7 112 116 A R E > S-M 115 0C 40 3,-2.8 3,-1.8 -2,-0.3 2,-0.3 -0.785 74.7 -69.5-130.9 84.2 10.8 50.7 93.7 113 117 A G T 3 S- 0 0 44 -2,-0.3 -1,-0.2 1,-0.3 32,-0.1 -0.512 122.9 -2.0 62.7-124.4 11.2 48.1 96.4 114 118 A R T 3 S+ 0 0 55 31,-0.4 2,-0.3 -2,-0.3 -1,-0.3 0.714 119.7 90.3 -69.8 -22.1 8.7 45.3 95.7 115 119 A L E < +M 112 0C 1 -3,-1.8 -3,-2.8 29,-0.2 2,-0.4 -0.604 55.5 174.6 -73.5 131.6 7.4 47.2 92.6 116 120 A S E -MN 111 321C 7 205,-2.5 205,-2.2 -2,-0.3 2,-0.4 -0.999 16.5-169.3-138.0 142.1 9.1 46.5 89.3 117 121 A L E -MN 110 320C 3 -7,-2.5 -7,-2.2 -2,-0.4 2,-0.3 -0.999 7.8-173.7-127.4 128.7 8.5 47.5 85.8 118 122 A A E -MN 109 319C 3 201,-2.0 201,-2.3 -2,-0.4 2,-0.4 -0.918 5.2-161.6-120.8 144.7 10.3 45.9 82.9 119 123 A I E +MN 108 318C 1 -11,-2.9 -11,-0.7 -2,-0.3 2,-0.3 -0.985 14.4 162.0-129.7 133.2 10.1 47.0 79.2 120 124 A S E - 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0 0 4 1,-0.1 4,-2.1 -172,-0.1 3,-0.3 -0.649 53.2-170.4-162.6 96.3 -0.9 43.6 96.2 327 130 B P H > S+ 0 0 65 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.799 95.6 57.1 -53.6 -31.4 -2.4 41.8 93.1 328 131 B L H > S+ 0 0 66 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.880 105.1 47.4 -70.9 -42.8 -4.9 44.7 93.1 329 132 B L H > S+ 0 0 5 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.943 111.0 53.4 -58.9 -47.3 -2.2 47.4 92.8 330 133 B T H X S+ 0 0 18 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.906 111.0 45.9 -53.8 -47.1 -0.6 45.4 90.0 331 134 B K H X S+ 0 0 116 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.943 112.2 51.4 -61.8 -49.2 -3.9 45.3 88.1 332 135 B R H X S+ 0 0 83 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.927 111.7 46.4 -51.1 -49.7 -4.4 49.0 88.7 333 136 B I H X S+ 0 0 2 -4,-3.0 4,-3.2 2,-0.2 5,-0.2 0.880 109.6 53.5 -64.0 -40.8 -1.0 49.9 87.3 334 137 B K H X S+ 0 0 75 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.878 111.7 46.4 -59.9 -42.7 -1.4 47.6 84.3 335 138 B E H X S+ 0 0 100 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.868 112.4 50.1 -62.0 -43.0 -4.7 49.5 83.6 336 139 B D H X S+ 0 0 68 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.939 114.4 44.5 -64.5 -41.8 -2.9 52.8 84.1 337 140 B L H X S+ 0 0 1 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.828 109.3 56.1 -69.9 -35.1 -0.1 51.7 81.7 338 141 B S H < S+ 0 0 33 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.899 107.1 51.3 -57.9 -45.4 -2.7 50.4 79.2 339 142 B S H < S+ 0 0 96 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.964 114.7 40.8 -52.1 -60.8 -4.2 53.9 79.3 340 143 B N H < S+ 0 0 107 -4,-2.0 2,-0.7 1,-0.2 -2,-0.2 0.772 119.0 45.3 -63.5 -34.3 -0.9 55.7 78.6 341 144 B Y S < S+ 0 0 14 -4,-2.3 -1,-0.2 -5,-0.2 2,-0.1 -0.896 82.6 163.9-114.4 94.4 0.4 53.2 76.0 342 145 B D > - 0 0 71 -2,-0.7 3,-2.2 -3,-0.1 4,-0.4 -0.165 57.9 -61.1 -97.4-163.6 -2.5 52.5 73.7 343 146 B E T 3> S+ 0 0 123 1,-0.3 4,-1.3 2,-0.2 3,-0.4 0.576 119.4 79.1 -61.6 -14.8 -2.8 50.9 70.2 344 147 B S H 3> S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.843 90.5 55.4 -57.7 -34.5 -0.6 53.6 68.7 345 148 B Y H <> S+ 0 0 15 -3,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.786 99.7 60.7 -70.8 -23.9 2.3 51.7 70.1 346 149 B T H > S+ 0 0 54 -3,-0.4 4,-0.7 -4,-0.4 -31,-0.4 0.953 111.9 36.7 -66.4 -49.4 1.2 48.5 68.3 347 150 B Q H X S+ 0 0 77 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.819 116.0 56.0 -66.4 -38.8 1.5 50.2 64.9 348 151 B Y H X S+ 0 0 4 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.887 103.2 50.9 -67.1 -42.2 4.6 52.2 65.9 349 152 B T H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.766 108.0 56.1 -72.3 -19.2 6.7 49.2 67.0 350 153 B Q H X S+ 0 0 86 -4,-0.7 4,-2.0 -5,-0.2 -2,-0.2 0.906 109.1 45.3 -71.0 -46.7 5.9 47.7 63.6 351 154 B F H X S+ 0 0 6 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.937 114.4 49.3 -53.2 -51.1 7.3 50.8 62.0 352 155 B L H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.825 108.2 53.6 -61.7 -34.7 10.3 50.6 64.3 353 156 B Y H X S+ 0 0 101 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.955 109.1 47.4 -65.7 -50.8 10.9 46.9 63.5 354 157 B E H X S+ 0 0 84 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.899 111.5 51.9 -56.7 -43.7 10.9 47.6 59.7 355 158 B C H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.926 108.3 51.2 -57.4 -45.7 13.4 50.5 60.3 356 159 B R H X S+ 0 0 92 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.942 111.2 48.4 -55.8 -51.1 15.7 48.2 62.3 357 160 B V H X S+ 0 0 65 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.933 115.4 43.5 -51.1 -55.4 15.6 45.6 59.5 358 161 B L H < S+ 0 0 49 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.796 115.3 48.2 -67.4 -30.0 16.4 48.1 56.8 359 162 B I H >< S+ 0 0 0 -4,-2.2 3,-1.3 -5,-0.2 5,-0.2 0.820 103.3 61.5 -80.6 -32.8 19.1 49.9 58.9 360 163 B H H 3< S+ 0 0 130 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.802 108.5 42.6 -61.9 -33.3 20.9 46.7 59.9 361 164 B R T 3< S+ 0 0 196 -4,-1.0 2,-0.3 -5,-0.2 -1,-0.3 0.006 86.3 120.0-110.6 26.4 21.7 45.8 56.2 362 165 B L < - 0 0 17 -3,-1.3 2,-1.4 2,-0.1 7,-0.1 -0.714 67.2-131.6 -83.4 140.6 22.7 49.3 55.2 363 166 B N S S+ 0 0 171 -2,-0.3 2,-0.3 2,-0.0 -3,-0.1 -0.452 74.7 105.3 -92.7 62.0 26.2 49.7 53.8 364 167 B V S S- 0 0 44 -2,-1.4 -2,-0.1 -5,-0.2 5,-0.1 -0.850 77.8 -73.7-135.4 163.4 26.8 52.7 56.1 365 168 B S > - 0 0 69 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.075 34.7-115.4 -65.0 160.6 28.8 53.1 59.3 366 169 B K H > S+ 0 0 145 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.863 118.3 51.1 -58.0 -40.6 27.9 51.8 62.8 367 170 B S H > S+ 0 0 78 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.796 108.4 51.5 -73.3 -30.0 27.7 55.4 64.1 368 171 B R H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.899 107.9 53.0 -68.4 -41.1 25.4 56.3 61.2 369 172 B K H X S+ 0 0 39 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.903 109.7 48.4 -57.4 -44.5 23.1 53.3 62.1 370 173 B H H X S+ 0 0 95 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.870 109.2 51.8 -64.1 -42.6 22.9 54.5 65.7 371 174 B E H X S+ 0 0 109 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.908 112.1 47.1 -61.8 -44.9 22.0 58.0 64.7 372 175 B L H X S+ 0 0 0 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.928 112.3 47.8 -63.1 -50.3 19.2 56.8 62.4 373 176 B L H < S+ 0 0 22 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.752 114.9 47.9 -65.3 -24.3 17.8 54.4 65.0 374 177 B T H >< S+ 0 0 57 -4,-1.8 3,-1.8 -5,-0.2 -1,-0.2 0.869 102.1 64.4 -75.1 -43.0 17.9 57.2 67.7 375 178 B E H 3< S+ 0 0 81 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.1 0.780 95.8 57.1 -52.5 -35.4 16.2 59.7 65.3 376 179 B I T 3< S+ 0 0 1 -4,-0.9 2,-0.8 1,-0.1 -1,-0.3 0.227 80.1 99.2 -93.6 9.1 13.0 57.9 65.1 377 180 B I < + 0 0 10 -3,-1.8 2,-0.3 4,-0.1 -1,-0.1 -0.802 57.5 89.6-101.2 86.9 12.3 57.8 68.9 378 181 B D S > S- 0 0 60 -2,-0.8 4,-1.3 1,-0.0 3,-0.4 -0.952 84.8 -95.1-157.2 177.0 9.8 60.6 69.7 379 182 B D H > S+ 0 0 105 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.826 118.8 56.6 -62.8 -34.8 6.0 61.2 69.9 380 183 B Q H > S+ 0 0 114 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.807 102.9 52.5 -71.0 -33.8 5.7 62.6 66.3 381 184 B Y H 4 S+ 0 0 17 -3,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.871 113.8 46.2 -65.4 -37.8 7.2 59.4 64.7 382 185 B R H < S+ 0 0 33 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.839 121.7 34.7 -66.1 -35.1 4.6 57.4 66.6 383 186 B L H < S+ 0 0 111 -4,-1.6 2,-0.4 1,-0.1 -2,-0.2 0.279 106.0 71.3-118.9 4.2 1.7 59.7 65.7 384 187 B S X - 0 0 33 -4,-1.0 4,-1.7 -3,-0.1 -1,-0.1 -0.962 49.9-173.6-125.1 117.4 2.5 60.8 62.2 385 188 B L H > S+ 0 0 82 -2,-0.4 4,-2.6 2,-0.2 5,-0.2 0.766 90.1 57.3 -78.2 -25.9 2.3 58.4 59.3 386 189 B V H > S+ 0 0 90 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.961 106.7 48.5 -62.5 -54.4 3.8 60.9 56.9 387 190 B K H > S+ 0 0 62 -7,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.917 114.3 47.0 -49.5 -50.0 6.9 61.2 59.2 388 191 B Q H >X S+ 0 0 7 -4,-1.7 4,-2.1 -8,-0.2 3,-0.7 0.969 114.5 44.9 -58.5 -57.6 7.1 57.4 59.3 389 192 B R H 3X S+ 0 0 155 -4,-2.6 4,-2.1 1,-0.3 -2,-0.2 0.839 111.2 51.7 -59.1 -42.8 6.7 56.9 55.5 390 193 B E H 3X S+ 0 0 120 -4,-3.0 4,-1.3 2,-0.2 -1,-0.3 0.759 109.8 51.2 -64.6 -29.9 9.1 59.7 54.5 391 194 B F H X S+ 0 0 138 -4,-2.1 3,-1.0 1,-0.2 4,-0.7 0.855 109.8 54.7 -59.9 -39.9 11.8 56.3 51.8 394 197 B Q H >< S+ 0 0 73 -4,-1.3 3,-0.7 1,-0.2 4,-0.4 0.914 103.6 51.7 -63.0 -47.2 14.9 58.1 53.1 395 198 B I T 3< S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.388 96.7 73.7 -74.7 6.3 16.7 55.0 54.3 396 199 B E T <4 S+ 0 0 126 -3,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.895 85.4 61.9 -81.1 -43.4 16.1 53.5 50.9 397 200 B K << 0 0 195 -3,-0.7 -2,-0.2 -4,-0.7 -1,-0.1 0.700 360.0 360.0 -51.5 -30.2 18.8 55.7 49.2 398 201 B Y 0 0 107 -4,-0.4 -34,-0.1 -36,-0.0 -3,-0.0 -0.248 360.0 360.0 -79.7 360.0 21.5 54.2 51.4