==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLAVOPROTEIN 04-AUG-08 3E1T . COMPND 2 MOLECULE: HALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHONDROMYCES CROCATUS; . AUTHOR S.BUEDENBENDER,S.RACHID,R.MUELLER,G.E.SCHULZ . 437 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19888.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 25 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 4 1 0 1 0 0 1 2 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 0 PARALLEL BRIDGES PER LADDER . 3 3 1 2 2 0 2 0 1 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 . 1 1 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 5 A P 0 0 122 0, 0.0 154,-0.2 0, 0.0 152,-0.0 0.000 360.0 360.0 360.0 127.7 27.3 52.5 50.5 2 6 A E E -a 155 0A 80 152,-0.6 154,-3.0 1,-0.1 2,-0.4 -0.164 360.0-144.4 -67.4 147.0 24.6 50.2 49.1 3 7 A V E +a 156 0A 95 152,-0.2 2,-0.2 139,-0.0 154,-0.2 -0.942 23.7 167.4-116.2 131.9 25.1 46.5 48.7 4 8 A F E -a 157 0A 17 152,-2.5 154,-0.8 -2,-0.4 25,-0.2 -0.763 44.8-124.2-129.8 172.1 23.6 44.4 45.8 5 9 A D E S+ 0 0 21 23,-2.9 154,-1.3 1,-0.3 2,-0.3 0.817 99.2 10.2 -81.7 -32.9 24.0 41.0 44.2 6 10 A L E -ab 159 29A 0 22,-1.8 24,-2.4 152,-0.2 2,-0.5 -0.998 57.8-159.2-149.8 134.4 24.8 42.6 40.8 7 11 A I E -ab 160 30A 0 152,-2.2 154,-2.6 -2,-0.3 2,-0.5 -0.984 14.9-162.5-113.8 123.7 25.6 46.0 39.4 8 12 A V E -ab 161 31A 0 22,-2.8 24,-2.6 -2,-0.5 2,-0.8 -0.907 8.2-148.9-105.8 128.5 25.1 46.5 35.7 9 13 A I E +ab 162 32A 9 152,-2.6 154,-2.0 -2,-0.5 24,-0.2 -0.852 68.5 19.0 -98.7 101.6 26.7 49.4 33.9 10 14 A G - 0 0 6 22,-2.6 23,-0.2 -2,-0.8 22,-0.1 0.074 61.5-135.0 114.2 139.0 24.5 50.6 31.0 11 15 A G + 0 0 0 4,-0.2 103,-0.1 20,-0.1 22,-0.1 0.015 61.2 115.8-116.8 27.7 20.9 50.1 30.1 12 16 A G S > S- 0 0 12 151,-0.5 4,-2.6 101,-0.1 5,-0.4 -0.080 92.6 -70.1 -74.4-171.3 20.9 49.3 26.4 13 17 A P H > S+ 0 0 5 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.828 135.5 51.4 -57.4 -36.1 19.7 45.8 25.3 14 18 A G H > S+ 0 0 9 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.973 116.6 38.2 -59.4 -56.7 22.7 44.0 26.9 15 19 A G H > S+ 0 0 0 148,-0.4 4,-2.7 2,-0.2 5,-0.2 0.922 117.8 46.0 -64.8 -50.4 22.4 45.7 30.3 16 20 A S H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.885 113.0 52.5 -61.2 -37.8 18.6 45.7 30.7 17 21 A T H X S+ 0 0 2 -4,-1.4 4,-2.0 -5,-0.4 -2,-0.2 0.919 112.7 42.8 -65.3 -48.2 18.4 42.1 29.5 18 22 A L H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 5,-0.2 0.932 114.2 51.1 -61.5 -49.8 21.0 40.8 32.0 19 23 A A H >X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-0.6 0.955 111.2 48.4 -53.8 -52.6 19.5 42.9 34.9 20 24 A S H 3X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.901 109.5 52.4 -53.0 -47.6 16.0 41.6 34.1 21 25 A F H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.736 113.0 42.4 -67.0 -29.1 17.1 37.9 34.0 22 26 A V H X<>S+ 0 0 0 -4,-1.5 3,-1.3 -3,-0.6 5,-0.6 0.880 114.5 49.8 -83.8 -42.0 18.9 38.0 37.4 23 27 A A H ><5S+ 0 0 10 -4,-2.3 3,-2.2 1,-0.3 -2,-0.2 0.862 102.0 63.7 -61.4 -37.7 16.1 40.0 39.2 24 28 A M T 3<5S+ 0 0 59 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.675 99.4 54.6 -56.6 -20.7 13.6 37.5 37.8 25 29 A R T < 5S- 0 0 78 -3,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.415 129.0-100.1 -95.1 -1.8 15.4 34.9 39.9 26 30 A G T < 5S+ 0 0 66 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.893 74.6 137.8 87.0 45.5 14.8 37.1 43.0 27 31 A H < - 0 0 36 -5,-0.6 2,-0.7 -4,-0.1 -1,-0.2 -0.802 58.9-103.5-118.7 160.6 18.2 38.9 43.4 28 32 A R + 0 0 129 -2,-0.3 -23,-2.9 94,-0.1 -22,-1.8 -0.747 46.7 173.7 -85.5 111.3 19.2 42.4 44.2 29 33 A V E -b 6 0A 3 -2,-0.7 94,-2.4 92,-0.4 2,-0.4 -0.979 19.1-165.9-125.7 136.0 20.3 44.3 41.1 30 34 A L E -bc 7 123A 0 -24,-2.4 -22,-2.8 -2,-0.4 2,-0.4 -0.913 7.1-166.3-106.4 140.3 21.2 47.9 40.5 31 35 A L E -bc 8 124A 0 92,-2.3 94,-2.5 -2,-0.4 2,-0.5 -0.988 3.2-161.2-130.8 121.5 21.6 49.2 36.9 32 36 A L E -bc 9 125A 2 -24,-2.6 -22,-2.6 -2,-0.4 2,-0.4 -0.910 7.1-173.7-105.7 125.2 23.2 52.5 36.2 33 37 A E - 0 0 12 92,-2.2 95,-2.3 -2,-0.5 94,-0.2 -0.976 19.3-150.7-124.1 127.7 22.6 54.3 32.9 34 38 A R S S+ 0 0 133 -2,-0.4 95,-0.2 93,-0.2 2,-0.1 0.834 77.9 56.6 -64.2 -37.2 24.4 57.5 31.9 35 39 A E S S- 0 0 73 93,-0.1 92,-1.2 92,-0.1 2,-0.5 -0.411 84.2-114.7 -93.9 165.4 21.6 58.9 29.7 36 40 A A - 0 0 44 90,-0.2 -2,-0.1 -2,-0.1 -1,-0.0 -0.919 56.5 -87.8 -96.5 125.3 18.0 59.8 30.4 37 41 A F S S+ 0 0 21 -2,-0.5 2,-0.1 -4,-0.1 71,-0.1 -0.475 102.1 51.3 -79.4 152.0 15.7 57.5 28.4 38 42 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 69,-0.1 0.569 76.7 158.1 -80.0 150.7 14.5 57.5 25.7 39 43 A R - 0 0 25 68,-0.3 71,-0.2 67,-0.1 2,-0.1 -0.992 41.7-102.0-140.1 146.9 17.8 58.1 23.7 40 44 A H + 0 0 24 -2,-0.3 2,-0.3 66,-0.1 65,-0.0 -0.419 42.5 162.2 -67.8 136.7 19.0 57.6 20.2 41 45 A Q - 0 0 49 -2,-0.1 65,-0.4 -29,-0.0 66,-0.2 -0.972 35.7-119.7-148.6 144.7 21.3 54.7 19.4 42 46 A I S S+ 0 0 27 -2,-0.3 63,-0.0 64,-0.1 0, 0.0 -0.493 74.8 87.9 -76.0 155.1 22.2 53.0 16.1 43 47 A G + 0 0 29 -2,-0.1 -1,-0.1 61,-0.1 61,-0.0 0.738 40.8 152.4 116.4 64.7 21.4 49.2 15.7 44 48 A E + 0 0 4 59,-0.1 60,-2.9 2,-0.1 2,-0.6 0.712 41.6 83.9-102.8 -28.1 17.8 49.0 14.4 45 49 A S B -H 103 0B 9 58,-0.2 267,-0.3 56,-0.0 58,-0.2 -0.717 63.5-163.0 -90.6 121.2 17.5 45.7 12.5 46 50 A L - 0 0 2 56,-2.1 55,-0.1 -2,-0.6 264,-0.1 -0.498 11.5-130.0-106.5 168.0 16.7 42.7 14.7 47 51 A L >> - 0 0 22 -2,-0.2 4,-2.2 54,-0.1 3,-0.7 -0.775 25.2-115.9-113.6 156.2 16.9 38.9 14.5 48 52 A P H 3>>S+ 0 0 14 0, 0.0 4,-3.2 0, 0.0 5,-0.9 0.774 110.9 65.4 -59.6 -32.4 14.3 36.2 15.4 49 53 A A H 34>S+ 0 0 41 3,-0.2 5,-2.0 1,-0.2 4,-0.3 0.847 111.5 36.3 -62.5 -32.8 16.5 34.8 18.2 50 54 A T H <4>S+ 0 0 2 -3,-0.7 5,-3.3 3,-0.2 6,-0.3 0.898 121.9 44.2 -81.9 -48.3 16.0 38.1 20.1 51 55 A V H <5S+ 0 0 9 -4,-2.2 -2,-0.2 3,-0.2 9,-0.1 0.927 131.1 21.5 -65.5 -46.2 12.4 38.8 19.0 52 56 A H T <5S+ 0 0 57 -4,-3.2 -3,-0.2 48,-0.2 -1,-0.2 0.689 135.3 33.5 -99.1 -22.1 11.1 35.2 19.6 53 57 A G T >45S+ 0 0 43 -3,-0.3 3,-0.9 -6,-0.3 -1,-0.2 0.897 108.7 49.3 -76.6 -45.1 9.6 36.0 25.0 57 61 A M H 3<5S+ 0 0 85 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.1 0.817 111.7 50.1 -60.7 -34.1 11.7 34.9 28.0 58 62 A L T 3<5S- 0 0 2 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.580 117.4-118.8 -78.0 -12.1 11.6 38.5 29.2 59 63 A G T < 5S+ 0 0 52 -3,-0.9 -3,-0.2 -5,-0.2 4,-0.2 0.895 77.9 121.9 74.0 44.0 7.8 38.5 28.7 60 64 A L >< + 0 0 1 -5,-3.4 4,-2.5 -9,-0.1 5,-0.2 0.367 30.3 108.8-115.5 2.9 7.7 41.3 26.1 61 65 A T H > S+ 0 0 50 -6,-0.5 4,-1.9 1,-0.2 3,-0.2 0.909 84.4 42.0 -44.0 -57.9 6.0 39.4 23.2 62 66 A D H > S+ 0 0 115 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.905 114.4 50.4 -63.0 -44.3 2.6 41.3 23.5 63 67 A E H 4 S+ 0 0 53 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.813 107.9 54.3 -65.1 -31.9 4.2 44.7 24.1 64 68 A M H ><>S+ 0 0 3 -4,-2.5 3,-0.9 -3,-0.2 5,-0.5 0.915 107.0 51.7 -63.8 -45.3 6.5 44.2 21.0 65 69 A K H ><5S+ 0 0 126 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.848 108.7 49.9 -57.3 -40.2 3.4 43.5 18.8 66 70 A R T 3<5S+ 0 0 185 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.543 92.1 80.9 -81.7 -8.5 1.6 46.7 20.0 67 71 A A T < 5S- 0 0 17 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.732 94.4-127.2 -75.0 -26.7 4.6 48.9 19.3 68 72 A G T < 5 + 0 0 59 -3,-0.7 -3,-0.1 -4,-0.4 -2,-0.1 0.830 47.7 161.5 79.6 33.0 4.0 49.3 15.5 69 73 A F < - 0 0 6 -5,-0.5 -1,-0.3 -4,-0.1 35,-0.1 -0.744 48.9-102.5 -81.0 131.1 7.6 48.2 14.5 70 74 A P - 0 0 24 0, 0.0 33,-1.8 0, 0.0 2,-0.6 -0.243 38.3-115.0 -50.2 141.5 7.8 47.1 10.9 71 75 A I E -I 102 0C 79 31,-0.2 2,-0.7 29,-0.0 133,-0.3 -0.748 24.6-152.7 -91.2 120.3 7.8 43.3 10.5 72 76 A K E +I 101 0C 3 29,-2.8 29,-2.4 -2,-0.6 133,-0.1 -0.829 20.8 172.1 -99.9 112.9 11.1 41.9 9.1 73 77 A R - 0 0 84 -2,-0.7 17,-2.3 27,-0.2 18,-0.4 0.580 66.4 -60.7 -93.0 -13.4 10.7 38.6 7.3 74 78 A G E -J 89 0D 0 15,-0.3 132,-1.2 16,-0.1 2,-0.3 -0.956 65.6 -80.2 163.5-149.3 14.3 38.5 5.9 75 79 A G E -Jk 88 206D 0 13,-1.3 13,-2.3 -2,-0.3 2,-0.4 -0.973 15.4-131.0-149.6 162.9 16.4 40.7 3.7 76 80 A T E -Jk 87 207D 2 130,-2.8 132,-2.3 -2,-0.3 2,-0.4 -0.935 24.7-164.4-114.8 137.3 17.3 41.8 0.2 77 81 A F E -Jk 86 208D 2 9,-3.3 9,-2.6 -2,-0.4 2,-0.7 -0.984 24.9-166.4-125.6 131.7 20.9 42.0 -1.1 78 82 A R E + k 0 209D 49 130,-2.2 132,-3.0 -2,-0.4 2,-0.3 -0.923 60.0 116.9-103.1 98.1 22.5 43.6 -4.1 79 83 A W + 0 0 3 -2,-0.7 2,-0.3 5,-0.3 3,-0.3 -0.962 45.0 23.9-170.4 135.0 25.7 41.8 -3.5 80 84 A G S S- 0 0 3 -2,-0.3 286,-0.8 1,-0.2 285,-0.1 -0.781 105.1 -26.2 107.0-146.8 27.9 39.2 -5.2 81 85 A K S S+ 0 0 156 -2,-0.3 -1,-0.2 284,-0.1 284,-0.0 0.926 115.1 65.3 -74.4 -50.5 28.3 38.2 -8.8 82 86 A E - 0 0 102 -3,-0.3 -3,-0.2 1,-0.1 4,-0.1 -0.470 68.2-144.1 -82.4 145.2 24.9 39.2 -10.3 83 87 A P S S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.737 76.7 93.2 -74.1 -25.4 23.6 42.8 -10.4 84 88 A E S S- 0 0 131 1,-0.1 -5,-0.3 -6,-0.1 -2,-0.1 -0.527 85.4-110.5 -74.8 133.6 20.0 41.7 -9.7 85 89 A P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.382 31.6-159.5 -64.9 136.5 18.9 41.8 -6.0 86 90 A W E -J 77 0D 87 -9,-2.6 -9,-3.3 -4,-0.1 2,-0.3 -0.769 4.7-145.0-113.1 164.1 18.4 38.5 -4.2 87 91 A T E -J 76 0D 61 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.882 8.4-162.9-129.4 153.8 16.4 37.8 -1.1 88 92 A F E -J 75 0D 51 -13,-2.3 -13,-1.3 -2,-0.3 2,-0.3 -0.957 8.4-155.2-129.5 155.5 16.5 35.5 2.0 89 93 A G E -J 74 0D 36 -2,-0.3 -15,-0.3 -15,-0.2 3,-0.1 -0.957 21.5-132.6-127.1 149.0 13.7 34.6 4.5 90 94 A F S S+ 0 0 55 -17,-2.3 2,-0.3 9,-0.4 10,-0.1 0.872 92.6 14.1 -67.6 -35.0 14.1 33.4 8.1 91 95 A T S S- 0 0 31 8,-0.5 -1,-0.2 -18,-0.4 7,-0.0 -0.985 71.6-121.2-142.3 152.8 11.6 30.6 7.5 92 96 A R S S+ 0 0 208 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.831 103.6 42.4 -58.4 -38.7 9.9 28.9 4.5 93 97 A H S S- 0 0 132 1,-0.1 3,-0.4 -3,-0.0 -2,-0.1 -0.815 86.7-124.6-109.2 153.7 6.5 29.8 5.8 94 98 A P S S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.875 102.3 32.6 -64.9 -36.7 5.5 33.2 7.3 95 99 A D S S+ 0 0 133 4,-0.1 3,-0.1 3,-0.1 4,-0.1 0.335 85.0 111.8-113.2 5.6 4.2 32.1 10.7 96 100 A D S > S- 0 0 62 -3,-0.4 3,-0.7 1,-0.2 -5,-0.0 -0.369 85.5 -51.8 -76.7 164.4 6.2 29.0 11.7 97 101 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.050 125.4 3.3 -51.0 138.4 8.6 29.3 14.7 98 102 A Y T 3 S+ 0 0 129 -3,-0.1 -49,-0.1 -50,-0.1 -2,-0.1 0.835 86.9 149.7 58.2 39.2 11.1 32.1 14.7 99 103 A G < + 0 0 3 -3,-0.7 -8,-0.5 -4,-0.1 -9,-0.4 0.731 55.0 4.4 -76.4 -25.5 9.6 33.4 11.4 100 104 A F - 0 0 33 -10,-0.1 2,-0.2 -52,-0.1 -27,-0.2 -0.900 51.4-159.4-150.2 173.9 10.2 37.1 11.7 101 105 A A E -I 72 0C 0 -29,-2.4 -29,-2.8 -2,-0.3 2,-0.3 -0.715 26.3-102.0-141.7-164.6 11.7 40.0 13.6 102 106 A Y E -I 71 0C 14 -31,-0.3 -56,-2.1 -2,-0.2 2,-0.6 -0.886 9.1-133.2-126.6 158.7 11.3 43.8 13.8 103 107 A Q B -H 45 0B 0 -33,-1.8 2,-0.4 -2,-0.3 -58,-0.2 -0.970 44.2-163.8-104.5 114.0 12.9 47.0 12.6 104 108 A V - 0 0 0 -60,-2.9 2,-0.7 -2,-0.6 3,-0.1 -0.812 32.8-130.2-115.6 141.1 13.1 49.1 15.7 105 109 A E > - 0 0 40 -2,-0.4 4,-2.5 116,-0.2 5,-0.2 -0.769 29.9-148.3 -72.5 116.3 13.6 52.7 16.7 106 110 A R H > S+ 0 0 23 -2,-0.7 4,-3.5 -65,-0.4 5,-0.5 0.869 92.4 61.0 -64.5 -37.7 16.3 52.0 19.3 107 111 A A H > S+ 0 0 13 1,-0.2 4,-1.8 -66,-0.2 -68,-0.3 0.944 114.7 35.0 -47.0 -54.8 15.2 55.0 21.5 108 112 A R H > S+ 0 0 94 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.811 119.3 51.1 -71.6 -36.9 11.7 53.3 21.9 109 113 A F H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.932 113.0 42.4 -70.9 -48.0 13.0 49.8 21.9 110 114 A D H X S+ 0 0 0 -4,-3.5 4,-2.6 2,-0.2 5,-0.2 0.934 116.1 50.3 -62.8 -46.8 15.7 50.3 24.6 111 115 A D H X S+ 0 0 42 -4,-1.8 4,-2.7 -5,-0.5 5,-0.2 0.944 109.9 50.5 -55.4 -51.4 13.3 52.4 26.7 112 116 A M H X S+ 0 0 16 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.916 113.4 46.7 -50.1 -47.5 10.7 49.7 26.4 113 117 A L H X S+ 0 0 4 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.838 111.7 49.1 -64.6 -38.8 13.3 47.2 27.5 114 118 A L H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.881 108.0 53.7 -74.3 -38.1 14.5 49.3 30.5 115 119 A R H X S+ 0 0 51 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.877 106.5 53.9 -57.5 -39.4 11.0 49.9 31.7 116 120 A N H X S+ 0 0 7 -4,-1.5 4,-1.0 -5,-0.2 -1,-0.2 0.804 102.6 58.2 -66.5 -32.2 10.5 46.1 31.7 117 121 A S H ><>S+ 0 0 0 -4,-1.1 5,-2.5 2,-0.2 3,-0.5 0.936 105.6 48.8 -59.0 -51.2 13.6 45.8 33.9 118 122 A E H ><5S+ 0 0 81 -4,-1.6 3,-2.4 1,-0.3 -2,-0.2 0.960 111.0 49.3 -52.8 -57.4 12.0 48.0 36.5 119 123 A R H 3<5S+ 0 0 143 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.675 106.1 57.8 -57.0 -23.6 8.8 46.0 36.5 120 124 A K T <<5S- 0 0 77 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.542 131.8 -94.0 -84.9 -7.9 10.9 42.8 36.8 121 125 A G T < 5S+ 0 0 54 -3,-2.4 -92,-0.4 -4,-0.5 2,-0.4 0.562 74.8 147.9 110.6 13.9 12.3 44.2 40.0 122 126 A V < - 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0 0 29 1,-0.1 4,-0.2 4,-0.1 3,-0.1 -0.983 360.0 -16.6-141.3 122.7 40.3 31.6 10.6 410 462 A M S > S- 0 0 1 -2,-0.4 3,-1.7 1,-0.2 -1,-0.1 0.844 80.6-156.5 52.5 40.3 39.5 34.9 12.3 411 463 A Q T 3 S+ 0 0 29 1,-0.2 -229,-0.3 -231,-0.1 -1,-0.2 -0.187 72.9 32.9 -50.5 127.4 41.2 36.7 9.4 412 464 A G T 3 S+ 0 0 23 1,-0.3 -231,-2.6 -231,-0.2 2,-0.3 0.336 96.7 111.2 106.1 -2.4 42.4 40.2 10.5 413 465 A F < - 0 0 20 -3,-1.7 -1,-0.3 -233,-0.2 -233,-0.1 -0.828 67.2-115.1-109.9 146.3 43.2 39.2 14.1 414 466 A T > - 0 0 60 -2,-0.3 4,-1.8 -235,-0.2 5,-0.1 -0.006 43.6 -96.5 -56.6 170.1 46.4 38.9 16.1 415 467 A R H > S+ 0 0 172 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.827 118.6 59.7 -66.8 -34.8 47.5 35.4 17.4 416 468 A E H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.936 109.5 40.7 -63.0 -50.4 46.0 35.8 20.9 417 469 A I H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.930 115.0 53.8 -61.4 -44.3 42.4 36.4 19.7 418 470 A T H X S+ 0 0 31 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.906 109.8 47.0 -58.4 -43.8 42.8 33.7 17.1 419 471 A E H X S+ 0 0 110 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.931 112.0 49.1 -65.9 -46.9 43.9 31.1 19.7 420 472 A L H X S+ 0 0 53 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.895 114.0 47.2 -55.4 -43.7 41.1 32.0 22.1 421 473 A Q H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.4 0.885 110.6 51.9 -68.2 -38.7 38.6 31.7 19.2 422 474 A H H X S+ 0 0 79 -4,-2.4 4,-3.6 -5,-0.2 5,-0.4 0.942 110.1 48.6 -62.8 -47.7 40.1 28.4 18.1 423 475 A L H < S+ 0 0 113 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.912 115.4 44.5 -57.3 -44.7 39.8 26.9 21.6 424 476 A A H < S+ 0 0 9 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.891 128.9 25.5 -69.0 -41.3 36.2 28.0 22.0 425 477 A M H < S- 0 0 26 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.784 89.1-140.5 -90.7 -29.5 35.0 26.9 18.5 426 478 A F < 0 0 146 -4,-3.6 -3,-0.2 -5,-0.4 -4,-0.1 0.814 360.0 360.0 57.5 40.3 37.6 24.2 17.9 427 479 A G 0 0 70 -5,-0.4 -5,-0.1 -6,-0.3 -18,-0.0 0.901 360.0 360.0 69.7 360.0 37.7 25.5 14.3 428 ! 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 0.0 429 493 A L 0 0 55 0, 0.0 9,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.4 25.9 22.4 30.5 430 494 A V - 0 0 96 0, 0.0 9,-3.5 0, 0.0 2,-0.1 -0.938 360.0 -99.3-128.3 150.5 22.2 22.7 29.8 431 495 A P B -S 438 0F 57 0, 0.0 7,-0.3 0, 0.0 5,-0.0 -0.394 38.6-107.4 -68.4 150.3 19.8 25.4 31.0 432 496 A S > - 0 0 26 5,-2.4 3,-1.7 1,-0.1 5,-0.1 -0.248 41.9 -95.1 -58.0 159.0 17.5 24.8 33.9 433 497 A R T 3 S+ 0 0 263 1,-0.3 -1,-0.1 2,-0.1 6,-0.0 0.858 132.3 54.4 -44.5 -39.3 13.8 24.2 33.2 434 498 A D T 3 S- 0 0 80 1,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.774 101.3-139.7 -66.3 -29.8 13.5 28.0 33.9 435 499 A G S < S+ 0 0 8 -3,-1.7 -2,-0.1 2,-0.2 -111,-0.1 0.526 80.1 100.7 75.9 8.3 16.2 28.8 31.3 436 500 A L S S+ 0 0 2 -112,-0.1 -109,-0.3 -113,-0.1 2,-0.2 0.496 85.6 17.5-102.4 -8.7 17.5 31.3 33.8 437 501 A A S S- 0 0 0 -110,-0.1 -5,-2.4 -5,-0.1 2,-0.3 -0.862 87.9 -83.8-147.7-179.2 20.4 29.3 35.2 438 502 A W B S 431 0F 2 -114,-0.6 -105,-0.0 -7,-0.3 -99,-0.0 -0.757 360.0 360.0 -97.5 144.1 22.6 26.2 34.4 439 503 A A 0 0 78 -9,-3.5 -1,-0.1 -2,-0.3 -7,-0.0 0.925 360.0 360.0 -85.9 360.0 21.5 22.6 35.3