==== 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 09-DEC-08 3FHL . COMPND 2 MOLECULE: PUTATIVE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS NCTC 9343; . AUTHOR Y.PATSKOVSKY,U.RAMAGOPAL,R.TORO,M.GILMORE,S.MILLER,J.M.SAUDE . 1319 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 937 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 131 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 188 14.3 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 . 8 0.6 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 . 89 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 333 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 2.6 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 10 3 7 0 0 0 4 4 7 2 3 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 9 7 4 0 4 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 . 8 4 4 4 5 4 4 3 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 0 0 0 4 0 4 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 L 0 0 173 0, 0.0 2,-0.4 0, 0.0 289,-0.0 0.000 360.0 360.0 360.0 -30.4 89.0 61.1 17.1 2 2 A E - 0 0 179 1,-0.0 26,-0.0 26,-0.0 0, 0.0 -0.887 360.0 -99.6 -98.2 139.1 90.0 63.3 20.1 3 3 A I - 0 0 93 -2,-0.4 2,-1.0 1,-0.1 26,-0.2 -0.238 31.1-123.9 -61.6 134.5 92.9 65.7 19.5 4 4 A I E -a 29 0A 8 24,-2.9 26,-2.5 61,-0.1 2,-0.5 -0.738 21.3-147.5 -85.5 102.5 96.3 64.5 20.8 5 5 A K E -a 30 0A 54 -2,-1.0 60,-2.7 58,-0.3 61,-1.8 -0.623 22.3-160.2 -76.1 121.1 97.6 67.2 23.2 6 6 A T E -ab 31 66A 0 24,-3.0 27,-1.7 -2,-0.5 26,-1.6 -0.855 18.4-158.0-117.8 132.7 101.3 67.2 22.8 7 7 A G E -ab 33 67A 0 59,-2.7 61,-2.6 -2,-0.4 2,-0.6 -0.939 13.1-151.8-105.2 126.5 104.2 68.4 25.0 8 8 A L E -ab 34 68A 0 25,-3.0 27,-2.6 -2,-0.5 61,-0.1 -0.894 1.1-156.4-103.0 122.9 107.5 69.2 23.3 9 9 A A S S+ 0 0 4 59,-2.3 2,-0.3 -2,-0.6 -1,-0.1 0.658 72.2 21.8 -77.6 -15.5 110.5 68.7 25.6 10 10 A A - 0 0 22 58,-0.2 -1,-0.1 61,-0.1 26,-0.1 -0.988 48.7-159.1-154.9 142.8 112.9 71.1 23.7 11 11 A F + 0 0 26 24,-0.5 60,-0.1 -2,-0.3 25,-0.0 -0.233 58.1 113.2-115.6 40.9 112.8 73.9 21.2 12 12 A G S > S- 0 0 36 58,-0.2 4,-2.6 4,-0.0 5,-0.2 0.040 93.9 -56.8 -83.2-155.1 116.4 73.7 19.8 13 13 A M H > S+ 0 0 122 1,-0.2 4,-2.0 2,-0.2 5,-0.4 0.920 139.6 48.5 -53.7 -51.8 117.1 72.7 16.1 14 14 A S H >>S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 5,-1.2 0.877 112.7 47.5 -60.1 -42.9 115.2 69.4 16.4 15 15 A G H 4>S+ 0 0 0 1,-0.2 5,-2.4 3,-0.2 4,-0.4 0.906 116.5 43.9 -63.7 -41.8 112.1 71.0 18.0 16 16 A Q H <5S+ 0 0 79 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.758 128.5 25.0 -76.3 -24.8 112.0 73.8 15.5 17 17 A V H <5S+ 0 0 34 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.845 128.8 30.2-108.9 -48.5 112.6 71.6 12.4 18 18 A F T <5S+ 0 0 19 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.1 0.766 129.3 16.2 -87.4 -28.2 111.5 68.0 13.0 19 19 A H T >> S+ 0 0 9 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.840 116.3 37.6 -62.4 -28.7 105.9 72.5 12.5 22 22 A F H <> S+ 0 0 38 -3,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.865 113.8 51.9 -92.5 -37.6 104.1 69.2 12.1 23 23 A I H < S+ 0 0 0 -4,-2.4 6,-0.3 2,-0.2 -3,-0.2 0.941 116.6 46.5 -57.2 -45.5 102.5 68.9 15.6 24 24 A S H < S+ 0 0 57 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.960 116.6 39.0 -58.1 -60.8 101.2 72.5 14.8 25 25 A T H < S+ 0 0 107 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.815 94.7 90.6 -68.9 -33.2 99.9 72.0 11.2 26 26 A N >< - 0 0 15 -4,-2.5 3,-1.3 1,-0.2 -4,-0.0 -0.506 68.9-151.6 -65.5 121.1 98.5 68.5 11.8 27 27 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -24,-0.1 0.621 90.6 63.6 -72.8 -10.4 94.8 69.1 12.9 28 28 A H T 3 S+ 0 0 58 -25,-0.1 -24,-2.9 -26,-0.0 2,-0.3 0.458 101.7 57.9 -92.4 -0.7 94.8 65.8 14.9 29 29 A F E < -a 4 0A 9 -3,-1.3 2,-0.5 -6,-0.3 -24,-0.2 -0.920 68.5-147.0-125.2 150.3 97.4 67.1 17.3 30 30 A E E -a 5 0A 69 -26,-2.5 -24,-3.0 -2,-0.3 2,-1.7 -0.989 14.2-141.7-116.2 126.1 97.7 70.2 19.6 31 31 A L E +a 6 0A 13 -2,-0.5 -24,-0.1 1,-0.2 3,-0.1 -0.674 45.2 159.6 -77.4 85.5 101.1 71.8 20.1 32 32 A Y E + 0 0 40 -2,-1.7 18,-2.5 -26,-1.6 2,-0.4 0.924 49.5 13.9 -88.3 -52.2 100.0 72.3 23.7 33 33 A K E -ac 7 50A 39 -27,-1.7 -25,-3.0 -3,-0.2 2,-0.4 -0.982 56.5-168.9-133.7 144.1 103.1 72.8 25.8 34 34 A I E -ac 8 51A 0 16,-2.1 18,-2.4 -2,-0.4 2,-0.6 -0.999 19.8-133.9-130.9 126.8 106.7 73.5 25.0 35 35 A V E + c 0 52A 18 -27,-2.6 -24,-0.5 -2,-0.4 2,-0.4 -0.738 31.3 165.4 -79.9 118.4 109.7 73.4 27.5 36 36 A E - 0 0 12 16,-2.3 -26,-0.1 -2,-0.6 -2,-0.1 -0.984 29.0-148.2-128.8 125.5 112.0 76.4 27.2 37 37 A R S S- 0 0 188 -2,-0.4 -1,-0.1 1,-0.1 3,-0.0 0.911 83.4 -26.8 -56.6 -50.8 114.5 77.0 30.0 38 38 A S S S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 15,-0.0 0.539 116.2 83.2-139.0 -28.3 114.6 80.8 29.8 39 39 A K - 0 0 128 1,-0.1 -3,-0.1 3,-0.0 3,-0.1 -0.126 57.0-148.9 -81.4 174.7 113.7 82.0 26.3 40 40 A E > + 0 0 98 1,-0.1 3,-1.2 2,-0.0 4,-0.4 -0.205 47.3 137.5-133.4 42.9 110.4 82.5 24.6 41 41 A L G > + 0 0 94 1,-0.2 3,-0.8 2,-0.1 4,-0.4 0.829 66.1 59.9 -59.3 -35.8 111.5 81.6 21.1 42 42 A S G 3> S+ 0 0 1 1,-0.2 4,-2.8 2,-0.1 3,-0.3 0.640 84.4 80.4 -71.6 -17.3 108.3 79.6 20.3 43 43 A K G <4 S+ 0 0 116 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.832 85.5 58.7 -56.7 -38.6 105.9 82.5 20.9 44 44 A E T <4 S+ 0 0 182 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.1 0.904 122.9 18.8 -63.9 -44.7 106.5 84.1 17.5 45 45 A R T 4 S+ 0 0 162 -4,-0.4 -2,-0.2 -3,-0.3 -1,-0.2 0.728 134.9 37.8 -99.5 -27.5 105.4 81.1 15.4 46 46 A Y >< + 0 0 15 -4,-2.8 3,-1.6 1,-0.1 -1,-0.2 -0.561 62.2 158.7-125.3 67.8 103.4 79.1 18.0 47 47 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.633 72.6 58.2 -73.5 -10.2 101.5 81.7 20.1 48 48 A Q T 3 S+ 0 0 176 2,-0.1 2,-0.2 -17,-0.0 -5,-0.1 0.436 86.0 94.9 -98.3 -1.4 98.8 79.3 21.4 49 49 A A S < S- 0 0 15 -3,-1.6 2,-0.5 -7,-0.2 -16,-0.2 -0.597 75.2-130.0 -79.4 150.7 101.4 76.9 22.9 50 50 A S E -c 33 0A 65 -18,-2.5 -16,-2.1 -2,-0.2 2,-0.5 -0.919 16.9-138.0-104.0 127.4 102.1 77.4 26.6 51 51 A I E -c 34 0A 41 -2,-0.5 2,-0.3 -18,-0.2 -16,-0.2 -0.727 21.5-173.2 -84.7 124.5 105.8 77.6 27.5 52 52 A V E -c 35 0A 10 -18,-2.4 -16,-2.3 -2,-0.5 3,-0.0 -0.823 23.5-137.4-111.8 162.6 106.8 75.7 30.7 53 53 A R S S+ 0 0 90 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.1 0.465 77.9 38.7 -99.5 -4.4 110.2 75.9 32.3 54 54 A S - 0 0 42 1,-0.1 4,-0.5 -18,-0.0 3,-0.4 -0.993 69.1-126.4-149.8 152.3 110.8 72.2 33.1 55 55 A F S >> S+ 0 0 13 -2,-0.3 3,-1.7 1,-0.2 4,-1.3 0.875 108.1 63.6 -63.3 -41.8 110.3 68.7 31.8 56 56 A K H 3> S+ 0 0 117 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.830 93.0 64.4 -53.2 -35.0 108.5 67.6 35.0 57 57 A E H 34 S+ 0 0 78 -3,-0.4 -1,-0.3 1,-0.2 4,-0.3 0.780 100.9 50.8 -61.1 -29.4 105.7 70.1 34.2 58 58 A L H X4 S+ 0 0 0 -3,-1.7 3,-0.9 -4,-0.5 -1,-0.2 0.909 112.0 46.0 -70.4 -43.9 104.9 68.2 31.0 59 59 A T H 3< S+ 0 0 15 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.739 109.8 55.0 -72.2 -24.8 104.6 64.9 32.9 60 60 A E T 3< S+ 0 0 136 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.475 85.9 93.4 -88.6 -2.6 102.5 66.4 35.7 61 61 A D X - 0 0 18 -3,-0.9 3,-1.5 -4,-0.3 -1,-0.0 -0.829 59.8-159.7 -98.0 113.4 99.8 67.8 33.4 62 62 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.648 86.9 66.6 -68.1 -16.7 96.8 65.4 33.0 63 63 A E T 3 S+ 0 0 98 2,-0.0 -58,-0.3 -57,-0.0 2,-0.3 0.704 79.2 99.6 -73.2 -21.3 95.7 67.0 29.7 64 64 A I < + 0 0 4 -3,-1.5 -58,-0.2 -6,-0.2 3,-0.1 -0.532 42.1 174.5 -76.5 126.7 98.8 65.9 27.9 65 65 A D + 0 0 66 -60,-2.7 24,-2.1 -2,-0.3 2,-0.4 0.660 67.9 28.1 -96.3 -29.0 98.4 62.7 25.7 66 66 A L E -bd 6 89A 0 -61,-1.8 -59,-2.7 22,-0.2 2,-0.5 -0.996 58.9-162.4-143.9 131.6 101.9 62.6 24.1 67 67 A I E -bd 7 90A 0 22,-2.4 24,-2.4 -2,-0.4 2,-0.7 -0.971 10.6-151.5-116.1 129.3 105.3 63.8 25.1 68 68 A V E -bd 8 91A 0 -61,-2.6 -59,-2.3 -2,-0.5 2,-1.1 -0.886 8.9-155.6 -98.5 112.9 108.1 64.2 22.5 69 69 A V E + d 0 92A 0 22,-3.7 24,-2.4 -2,-0.7 11,-0.1 -0.752 38.5 142.7 -93.4 90.8 111.5 63.6 24.2 70 70 A N + 0 0 7 -2,-1.1 -58,-0.2 22,-0.2 -55,-0.2 -0.065 32.9 120.4-120.1 26.7 114.0 65.6 22.0 71 71 A T S S- 0 0 18 1,-0.2 22,-0.1 -57,-0.1 5,-0.1 -0.227 79.4 -50.2 -75.1 173.0 116.2 66.8 24.8 72 72 A P > - 0 0 85 0, 0.0 3,-2.4 0, 0.0 4,-0.4 -0.171 60.2-105.7 -52.0 146.1 119.9 65.9 24.9 73 73 A D G > S+ 0 0 102 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.736 115.8 59.1 -39.5 -44.1 120.8 62.2 24.5 74 74 A N G 3 S+ 0 0 143 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.666 101.9 55.1 -66.1 -20.1 121.7 61.6 28.2 75 75 A T G <> S+ 0 0 14 -3,-2.4 4,-2.8 1,-0.1 5,-0.3 0.569 83.5 91.3 -86.3 -11.1 118.2 62.6 29.3 76 76 A H H <> S+ 0 0 0 -3,-1.3 4,-2.2 -4,-0.4 5,-0.3 0.852 85.4 42.8 -65.5 -44.7 116.3 60.1 27.1 77 77 A Y H > S+ 0 0 71 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.925 119.3 44.2 -64.1 -45.2 116.0 57.0 29.4 78 78 A E H > S+ 0 0 118 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.937 117.4 44.1 -67.7 -46.2 115.0 59.1 32.4 79 79 A Y H X S+ 0 0 54 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.901 113.4 47.8 -69.3 -46.4 112.6 61.4 30.6 80 80 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.896 113.0 52.4 -61.5 -38.4 110.8 58.7 28.6 81 81 A G H X S+ 0 0 13 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.898 109.6 47.1 -61.8 -44.9 110.5 56.7 31.8 82 82 A M H X S+ 0 0 50 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.919 113.2 49.4 -61.0 -46.7 109.0 59.6 33.7 83 83 A A H <>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 -2,-0.2 0.906 112.0 46.7 -62.8 -44.5 106.5 60.3 30.9 84 84 A L H ><5S+ 0 0 0 -4,-2.5 3,-2.0 3,-0.2 -1,-0.2 0.922 110.5 52.2 -64.0 -45.9 105.4 56.6 30.6 85 85 A E H 3<5S+ 0 0 117 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.835 106.3 55.8 -57.5 -34.7 105.0 56.3 34.4 86 86 A A T 3<5S- 0 0 45 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.400 125.1-106.4 -78.6 -0.2 102.8 59.4 34.3 87 87 A G T < 5S+ 0 0 38 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.649 73.1 139.3 85.3 18.9 100.6 57.6 31.7 88 88 A K < - 0 0 9 -5,-2.6 -1,-0.3 -6,-0.2 -22,-0.2 -0.728 55.3-121.5 -94.8 141.1 101.7 59.6 28.6 89 89 A N E -d 66 0A 28 -24,-2.1 -22,-2.4 -2,-0.3 2,-0.4 -0.497 40.5-143.9 -66.7 151.4 102.4 58.1 25.2 90 90 A V E -de 67 117A 0 26,-3.2 28,-3.1 -24,-0.2 2,-0.5 -0.977 27.8-169.3-135.3 133.1 106.0 58.9 24.2 91 91 A V E -de 68 118A 0 -24,-2.4 -22,-3.7 -2,-0.4 2,-0.4 -0.986 19.6-170.0-105.8 127.0 108.2 59.7 21.2 92 92 A V E -de 69 119A 0 26,-2.9 28,-2.1 -2,-0.5 2,-0.2 -0.979 20.0-125.3-114.1 133.9 111.9 59.5 21.9 93 93 A E E - e 0 120A 28 -24,-2.4 28,-0.2 -2,-0.4 -17,-0.0 -0.531 49.1 -68.6 -72.0 139.1 114.5 60.8 19.5 94 94 A K S S+ 0 0 73 26,-2.2 -1,-0.1 -2,-0.2 -21,-0.1 -0.474 118.2 65.1 -54.3 129.6 117.3 58.5 18.4 95 95 A P S S- 0 0 48 0, 0.0 -1,-0.1 0, 0.0 -19,-0.1 0.327 74.1-171.5 -77.6 126.6 119.4 57.6 20.4 96 96 A F - 0 0 2 1,-0.1 2,-0.3 -4,-0.1 -3,-0.1 0.936 62.9 -15.5 -53.8 -62.3 116.6 55.8 22.2 97 97 A T - 0 0 21 -21,-0.1 -1,-0.1 -20,-0.1 -23,-0.1 -0.894 59.0-117.1-139.2 170.0 118.6 54.8 25.3 98 98 A S S S+ 0 0 101 -2,-0.3 2,-0.3 -24,-0.1 -1,-0.1 0.742 100.3 29.1 -81.3 -22.7 122.2 54.5 26.3 99 99 A T S > S- 0 0 64 1,-0.1 4,-1.6 -3,-0.0 -1,-0.1 -0.945 73.5-126.5-133.9 158.5 121.9 50.8 26.9 100 100 A T H > S+ 0 0 48 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.866 111.7 58.0 -64.9 -40.8 119.8 47.9 25.4 101 101 A K H > S+ 0 0 167 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.905 106.5 48.0 -56.4 -46.4 118.7 46.9 29.0 102 102 A Q H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.887 111.4 51.0 -60.3 -42.2 117.3 50.4 29.5 103 103 A G H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.899 109.3 49.9 -64.0 -42.6 115.5 50.2 26.1 104 104 A E H X S+ 0 0 117 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.856 109.1 53.3 -61.9 -38.9 114.0 46.8 27.0 105 105 A E H X S+ 0 0 94 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.933 109.4 47.2 -62.5 -47.4 112.8 48.2 30.4 106 106 A L H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.884 111.4 50.3 -65.3 -40.4 111.0 51.2 28.7 107 107 A I H X S+ 0 0 39 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.897 111.7 48.8 -63.0 -43.2 109.3 48.9 26.1 108 108 A A H X S+ 0 0 57 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.867 112.1 49.0 -62.7 -38.7 108.1 46.6 28.9 109 109 A L H X S+ 0 0 11 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.922 111.0 49.2 -69.0 -44.9 106.8 49.5 30.9 110 110 A A H X>S+ 0 0 5 -4,-2.6 5,-2.7 2,-0.2 4,-0.5 0.883 112.6 48.5 -58.0 -42.4 105.0 51.0 27.9 111 111 A K H ><5S+ 0 0 177 -4,-2.2 3,-0.8 3,-0.2 -2,-0.2 0.912 109.7 52.3 -65.0 -45.1 103.4 47.5 27.2 112 112 A K H 3<5S+ 0 0 159 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.907 116.2 39.8 -55.0 -45.2 102.4 47.2 30.9 113 113 A K H 3<5S- 0 0 92 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.422 110.1-118.5 -92.5 2.3 100.6 50.5 30.8 114 114 A G T <<5 + 0 0 68 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.2 0.812 66.5 140.8 65.6 33.3 99.1 50.2 27.3 115 115 A L < - 0 0 29 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.2 -0.734 55.2-109.9-109.1 153.9 101.1 53.2 26.0 116 116 A M - 0 0 6 -2,-0.3 -26,-3.2 182,-0.0 2,-0.5 -0.679 24.9-171.5 -79.4 130.5 102.8 54.0 22.7 117 117 A L E +e 90 0A 9 -2,-0.4 182,-2.2 -28,-0.2 2,-0.3 -0.917 16.0 175.2-120.9 104.2 106.6 54.2 22.7 118 118 A S E -eF 91 298A 0 -28,-3.1 -26,-2.9 -2,-0.5 2,-0.5 -0.800 22.6-145.3-108.2 143.9 107.9 55.5 19.4 119 119 A V E -e 92 0A 1 178,-2.7 2,-0.4 -2,-0.3 -26,-0.2 -0.972 17.3-138.9-112.0 125.2 111.4 56.4 18.3 120 120 A Y E +e 93 0A 5 -28,-2.1 -26,-2.2 -2,-0.5 2,-0.4 -0.696 24.9 171.1 -85.2 128.2 111.9 59.3 15.9 121 121 A Q > - 0 0 14 -2,-0.4 3,-1.4 -28,-0.2 4,-0.3 -0.943 19.7-158.2-134.7 109.6 114.4 59.0 13.1 122 122 A N G > S+ 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144.1 39.3 -26.9 943 306 C G T >> S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 3,-0.6 0.740 81.7 78.3 -63.2 -21.4 147.2 38.9 -29.2 944 307 C G H <> S+ 0 0 6 -3,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.708 81.6 64.5 -61.5 -24.9 149.2 39.4 -26.0 945 308 C F H <> S+ 0 0 0 -3,-1.2 4,-1.4 -4,-0.2 -1,-0.2 0.937 109.5 37.4 -62.4 -48.2 148.5 35.8 -25.0 946 309 C Y H <> S+ 0 0 0 -3,-0.6 4,-2.6 -4,-0.5 -2,-0.2 0.866 112.6 57.1 -73.2 -37.9 150.4 34.5 -28.0 947 310 C Q H X S+ 0 0 63 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.918 108.1 49.4 -60.0 -40.9 153.1 37.1 -27.8 948 311 C N H X S+ 0 0 10 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.885 108.0 52.7 -63.1 -40.5 153.7 36.0 -24.2 949 312 C I H X S+ 0 0 0 -4,-1.4 4,-2.8 2,-0.2 5,-0.3 0.923 110.4 48.7 -60.9 -43.2 153.9 32.3 -25.4 950 313 C Y H X>S+ 0 0 34 -4,-2.6 4,-3.0 2,-0.2 5,-0.6 0.936 110.7 49.4 -60.3 -49.8 156.5 33.3 -27.9 951 314 C E H X5S+ 0 0 47 -4,-2.4 6,-2.5 1,-0.2 4,-0.9 0.821 114.4 47.4 -62.2 -31.1 158.6 35.3 -25.4 952 315 C H H X5S+ 0 0 40 -4,-2.0 4,-0.8 4,-0.3 -2,-0.2 0.944 119.3 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36.2-143.0 -61.6 142.6 198.1 30.3 -28.9 1235 258 D K S > S+ 0 0 105 1,-0.2 4,-1.7 2,-0.1 5,-0.1 0.394 78.3 88.6 -89.3 -7.3 197.7 26.6 -29.9 1236 259 D Q H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.918 83.5 53.8 -64.8 -45.1 200.9 25.2 -28.4 1237 260 D E H > S+ 0 0 66 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.900 109.9 48.0 -57.3 -43.9 199.5 24.4 -25.0 1238 261 D A H > S+ 0 0 65 -4,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.875 113.1 48.5 -63.7 -39.9 196.7 22.3 -26.4 1239 262 D A H <>S+ 0 0 11 -4,-1.7 5,-2.5 2,-0.2 -2,-0.2 0.904 113.3 47.3 -65.3 -41.8 199.1 20.5 -28.7 1240 263 D L H ><5S+ 0 0 7 -4,-3.0 3,-1.2 1,-0.2 -2,-0.2 0.846 108.4 54.2 -70.7 -35.5 201.4 19.8 -25.8 1241 264 D L H 3<5S+ 0 0 98 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.858 106.7 53.6 -63.7 -34.1 198.5 18.6 -23.5 1242 265 D A T 3<5S- 0 0 77 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.434 121.9-110.6 -79.6 0.4 197.7 16.2 -26.3 1243 266 D G T < 5 + 0 0 44 -3,-1.2 2,-0.2 1,-0.2 -3,-0.2 0.676 57.2 164.7 80.3 17.3 201.3 14.8 -26.2 1244 267 D E < - 0 0 110 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.0 -0.512 38.9-125.1 -68.4 130.9 202.3 16.2 -29.6 1245 268 D I - 0 0 77 -2,-0.2 2,-1.9 1,-0.1 3,-0.3 -0.691 12.0-140.1 -79.8 123.7 206.1 16.2 -30.0 1246 269 D P S S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 37,-0.1 -0.254 71.1 108.7 -81.1 55.2 207.4 19.7 -30.9 1247 270 D E + 0 0 131 -2,-1.9 -2,-0.0 -233,-0.0 -237,-0.0 0.183 50.4 91.0-118.9 12.7 210.0 18.4 -33.4 1248 271 D R S > S- 0 0 178 -3,-0.3 3,-2.1 1,-0.1 0, 0.0 -0.832 79.0-117.8-113.0 151.1 208.5 19.5 -36.8 1249 272 D P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.730 112.2 58.6 -55.4 -26.2 209.1 22.7 -38.9 1250 273 D N T > S+ 0 0 96 2,-0.1 3,-2.0 3,-0.1 2,-0.1 0.324 74.3 132.9 -87.5 6.2 205.4 23.6 -38.7 1251 274 D W T < S+ 0 0 37 -3,-2.1 28,-0.1 1,-0.3 -15,-0.0 -0.379 75.0 16.7 -57.0 132.8 205.4 23.7 -34.9 1252 275 D G T 3 S+ 0 0 11 1,-0.3 28,-2.3 27,-0.1 -1,-0.3 0.408 91.1 145.7 84.4 -1.0 203.7 26.8 -33.6 1253 276 D E < - 0 0 126 -3,-2.0 2,-0.3 26,-0.2 -1,-0.3 -0.399 35.2-148.6 -68.0 144.7 202.0 27.5 -37.0 1254 277 D E - 0 0 22 22,-0.2 2,-0.1 -2,-0.1 -20,-0.0 -0.841 12.2-117.5-114.0 155.1 198.5 29.1 -37.0 1255 278 D S >> - 0 0 54 -2,-0.3 4,-1.8 1,-0.1 3,-0.5 -0.338 31.4-101.9 -85.7 166.4 195.7 28.7 -39.4 1256 279 D E T 34 S+ 0 0 143 1,-0.2 -1,-0.1 2,-0.2 19,-0.1 0.883 124.3 52.3 -49.4 -43.2 194.0 31.4 -41.6 1257 280 D Q T 34 S+ 0 0 178 1,-0.2 -1,-0.2 17,-0.0 -3,-0.0 0.826 110.4 48.9 -68.4 -30.8 191.1 31.6 -39.2 1258 281 D E T <4 S+ 0 0 46 -3,-0.5 -27,-0.3 -28,-0.1 -1,-0.2 0.799 88.2 100.9 -78.1 -32.3 193.5 32.1 -36.3 1259 282 D W S < S- 0 0 72 -4,-1.8 -28,-0.2 1,-0.1 2,-0.1 -0.184 76.1-116.1 -55.3 144.4 195.6 34.9 -37.9 1260 283 D G E - G 01275K 1 15,-0.7 15,-2.7 -30,-0.1 2,-0.5 -0.403 28.2-108.1 -76.1 159.2 194.8 38.4 -36.9 1261 284 D L E -FG12291274K 43 -32,-2.8 -32,-2.4 13,-0.2 2,-0.5 -0.808 25.7-159.3 -92.8 127.5 193.5 41.0 -39.3 1262 285 D L E +FG12281273K 4 11,-3.1 11,-2.1 -2,-0.5 2,-0.4 -0.946 12.9 175.8-103.9 124.5 195.8 43.8 -40.4 1263 286 D H E +FG12271272K 29 -36,-2.7 -36,-2.7 -2,-0.5 9,-0.2 -0.896 36.9 104.8-129.7 96.8 194.0 46.9 -41.8 1264 287 D T E - G 01271K 0 7,-2.2 7,-3.1 -2,-0.4 2,-0.4 -0.802 63.9 -93.7-153.2-174.5 196.6 49.5 -42.6 1265 288 D E E - G 01270K 71 -137,-0.4 2,-0.4 5,-0.3 5,-0.2 -0.989 26.3-173.6-121.4 137.0 198.6 51.3 -45.3 1266 289 D I E > S- G 01269K 64 3,-1.8 2,-2.2 -2,-0.4 3,-1.9 -0.998 75.6 -14.8-127.1 134.1 202.1 50.5 -46.6 1267 290 D N T 3 S- 0 0 175 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 -0.257 131.8 -50.2 67.3 -47.2 204.0 52.7 -49.1 1268 291 D G T 3 S+ 0 0 51 -2,-2.2 2,-0.4 1,-0.3 -1,-0.3 0.264 112.6 106.3 165.8 5.1 200.7 54.5 -49.8 1269 292 D K E < -G 1266 0K 157 -3,-1.9 -3,-1.8 2,-0.0 2,-0.5 -0.877 66.5-124.1-109.9 135.5 198.2 51.8 -50.5 1270 293 D E E -G 1265 0K 123 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.3 -0.658 31.4-174.2 -79.9 120.4 195.4 50.6 -48.1 1271 294 D I E -G 1264 0K 43 -7,-3.1 -7,-2.2 -2,-0.5 2,-0.3 -0.927 14.6-177.8-118.0 140.8 195.6 46.9 -47.3 1272 295 D C E +G 1263 0K 74 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.802 34.5 118.6-138.4 94.2 193.1 44.8 -45.4 1273 296 D R E -G 1262 0K 129 -11,-2.1 -11,-3.1 -2,-0.3 2,-0.2 -0.953 66.3 -82.2-148.4 160.7 194.1 41.1 -44.9 1274 297 D K E -G 1261 0K 67 -2,-0.3 -13,-0.2 -13,-0.3 -14,-0.1 -0.491 41.6-142.5 -59.1 140.1 195.0 38.4 -42.4 1275 298 D Y E -G 1260 0K 23 -15,-2.7 -15,-0.7 -2,-0.2 -1,-0.0 -0.949 7.9-160.6-117.6 107.9 198.6 38.7 -41.3 1276 299 D P + 0 0 54 0, 0.0 -22,-0.2 0, 0.0 -1,-0.1 0.870 31.8 166.0 -55.2 -45.2 200.3 35.3 -40.7 1277 300 D G - 0 0 31 -158,-0.1 2,-0.4 -18,-0.1 -161,-0.1 -0.319 42.0 -17.3 69.0-142.1 203.1 36.7 -38.6 1278 301 D I - 0 0 72 -163,-0.5 -159,-0.3 -164,-0.1 -160,-0.2 -0.827 62.8-116.9-111.7 136.2 205.5 34.6 -36.4 1279 302 D A - 0 0 41 -2,-0.4 -26,-0.2 1,-0.1 -27,-0.1 -0.327 38.2 -99.8 -66.4 148.9 205.0 30.9 -35.3 1280 303 D G - 0 0 2 -28,-2.3 -166,-0.2 1,-0.1 -1,-0.1 -0.382 39.2-173.4 -68.1 151.2 204.7 30.2 -31.5 1281 304 D N > + 0 0 76 -168,-2.9 3,-1.9 -171,-0.2 4,-0.3 -0.396 24.9 161.8-154.3 67.2 208.0 28.9 -30.0 1282 305 D Y T >> S+ 0 0 0 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.758 81.7 68.6 -59.8 -25.0 208.0 27.7 -26.4 1283 306 D G H >> S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 3,-0.6 0.760 81.8 75.5 -58.7 -29.0 211.3 26.0 -27.3 1284 307 D G H <> S+ 0 0 6 -3,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.766 84.6 64.5 -56.1 -30.1 212.8 29.5 -27.6 1285 308 D F H <> S+ 0 0 0 -3,-1.1 4,-1.5 -4,-0.3 -1,-0.2 0.945 109.3 36.7 -57.9 -49.1 212.9 29.7 -23.8 1286 309 D Y H S+ 0 0 27 -4,-2.4 4,-3.0 2,-0.2 5,-0.8 0.951 112.4 49.1 -60.5 -50.4 221.6 27.4 -24.0 1291 314 D E H X5S+ 0 0 64 -4,-2.5 6,-2.5 1,-0.2 4,-0.9 0.850 116.1 45.0 -60.9 -32.1 222.8 30.5 -25.8 1292 315 D H H X5S+ 0 0 56 -4,-2.3 4,-0.5 4,-0.2 -2,-0.2 0.934 118.3 40.6 -74.6 -47.8 223.2 32.3 -22.5 1293 316 D L H <5S+ 0 0 51 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.828 133.8 17.6 -73.0 -32.6 225.0 29.5 -20.6 1294 317 D C H <5S+ 0 0 55 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.732 128.1 40.4-110.9 -30.9 227.2 28.3 -23.5 1295 318 D L H <> -Y 1106 0J 91 -3,-0.5 3,-1.5 -196,-0.2 4,-0.5 -0.267 46.6-117.2 -53.7 144.3 216.2 37.0 -15.6 1303 326 D A H >> S+ 0 0 3 -198,-1.6 4,-1.0 1,-0.3 3,-0.8 0.775 111.2 70.6 -54.9 -29.6 214.4 36.5 -12.2 1304 327 D Q H 3> S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.803 86.0 67.5 -58.9 -31.9 214.3 40.3 -11.8 1305 328 D D H <> S+ 0 0 34 -3,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.884 99.9 48.1 -56.2 -42.7 211.6 40.4 -14.6 1306 329 D I H S+ 0 0 2 -4,-3.2 5,-1.5 1,-0.2 4,-0.4 0.867 115.7 43.1 -55.8 -43.3 194.8 50.5 -6.9 1320 343 D H H ><5S+ 0 0 74 -4,-2.3 3,-0.6 3,-0.2 -1,-0.2 0.893 113.6 51.5 -68.4 -42.2 191.7 48.4 -6.7 1321 344 D R H 3<5S+ 0 0 170 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.809 120.6 31.3 -70.1 -31.3 191.8 48.1 -2.9 1322 345 D E T 3<5S- 0 0 91 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.246 101.4-121.0-113.6 9.5 192.1 51.8 -2.2 1323 346 D N T < 5S+ 0 0 48 -3,-0.6 2,-0.3 -4,-0.4 -3,-0.2 0.895 74.7 115.9 51.1 48.0 190.2 53.3 -5.1 1324 347 D K S