==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-OCT-11 3U3X . COMPND 2 MOLECULE: OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR R.AGARWAL,S.CHAMALA,B.EVANS,R.FOTI,A.GIZZI,B.HILLERICH,A.KAR . 1650 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1182 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 163 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 216 13.1 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 125 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 455 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.5 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 12 5 3 0 0 0 13 12 5 1 4 0 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 3 13 5 1 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 . 0 0 0 0 14 6 10 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 0 0 5 0 5 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 26 A E 0 0 139 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 119.5 50.8 10.5 35.7 2 27 A L - 0 0 37 62,-0.1 25,-2.8 63,-0.0 2,-0.4 -0.586 360.0-154.5 -74.5 133.8 51.0 8.9 39.1 3 28 A R E -a 27 0A 101 60,-0.3 62,-2.0 -2,-0.3 63,-1.2 -0.877 18.2-179.3-103.3 138.6 52.8 5.5 39.4 4 29 A F E -ab 28 66A 0 23,-2.5 25,-3.4 -2,-0.4 26,-0.5 -0.933 16.7-143.0-138.0 163.8 51.8 3.1 42.2 5 30 A A E - b 0 67A 1 61,-2.8 63,-3.2 -2,-0.3 2,-0.6 -0.968 12.7-134.3-129.1 145.8 52.6 -0.3 43.7 6 31 A A E +ab 31 68A 0 24,-1.7 26,-2.3 -2,-0.3 2,-0.5 -0.828 25.8 179.0 -92.0 120.7 50.7 -3.1 45.3 7 32 A V E +a 32 0A 5 61,-2.8 64,-0.3 -2,-0.6 63,-0.2 -0.948 59.7 18.2-132.8 115.0 52.3 -4.4 48.4 8 33 A G - 0 0 7 24,-2.0 62,-2.5 -2,-0.5 -1,-0.3 0.747 54.5-170.4 85.6 104.7 50.6 -7.2 50.3 9 34 A L + 0 0 8 1,-0.2 62,-0.2 60,-0.1 -1,-0.1 -0.139 43.8 127.5-112.2 30.5 47.9 -9.1 48.4 10 35 A N + 0 0 45 60,-0.3 2,-0.3 4,-0.0 61,-0.2 0.650 66.5 51.2 -70.3 -13.2 46.5 -11.0 51.4 11 36 A H S > S- 0 0 41 59,-0.9 3,-1.4 -3,-0.2 4,-0.2 -0.957 78.6-126.6-130.3 153.6 43.0 -9.9 50.6 12 37 A N T > S+ 0 0 41 -2,-0.3 3,-1.4 1,-0.3 4,-0.4 0.703 99.3 77.7 -59.5 -34.1 40.7 -10.0 47.6 13 38 A H T 3> S+ 0 0 56 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.617 71.6 80.7 -59.8 -20.5 40.0 -6.3 48.0 14 39 A I H <> S+ 0 0 1 -3,-1.4 4,-3.3 1,-0.2 -1,-0.3 0.842 87.2 58.7 -52.8 -40.4 43.3 -5.4 46.4 15 40 A Y H <> S+ 0 0 7 -3,-1.4 4,-2.7 2,-0.2 5,-0.2 0.910 107.7 44.4 -60.3 -43.5 41.8 -6.0 42.9 16 41 A G H > S+ 0 0 20 -4,-0.4 4,-2.5 -3,-0.2 -1,-0.2 0.906 114.4 50.6 -66.1 -42.2 39.1 -3.4 43.5 17 42 A Q H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.980 113.9 43.0 -55.4 -60.3 41.7 -1.0 44.9 18 43 A V H X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 5,-0.2 0.917 115.1 48.3 -59.2 -49.0 44.0 -1.4 42.0 19 44 A N H X S+ 0 0 40 -4,-2.7 4,-3.6 -5,-0.2 5,-0.3 0.933 105.6 60.2 -55.6 -43.6 41.3 -1.2 39.3 20 45 A C H X S+ 0 0 3 -4,-2.5 4,-0.6 -5,-0.2 -1,-0.2 0.919 111.9 38.8 -47.6 -51.0 39.9 1.9 41.0 21 46 A L H ><>S+ 0 0 0 -4,-1.7 5,-1.6 2,-0.2 3,-0.9 0.902 115.6 50.7 -65.6 -49.1 43.2 3.6 40.5 22 47 A L H ><5S+ 0 0 63 -4,-2.8 3,-2.3 1,-0.3 -2,-0.2 0.973 107.1 55.6 -54.7 -54.4 43.8 2.2 37.0 23 48 A R H 3<5S+ 0 0 139 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.763 107.9 51.6 -44.4 -27.8 40.3 3.3 36.0 24 49 A A T <<5S- 0 0 38 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.473 126.6 -91.9-100.1 -3.0 41.2 6.8 37.1 25 50 A G T < 5S+ 0 0 58 -3,-2.3 -3,-0.2 -4,-0.4 -2,-0.1 0.136 79.9 130.1 118.3 -20.9 44.4 7.2 35.1 26 51 A A < - 0 0 7 -5,-1.6 2,-0.4 -25,-0.1 -1,-0.3 -0.185 51.3-127.4 -66.4 162.0 47.2 6.0 37.4 27 52 A R E -a 3 0A 44 -25,-2.8 -23,-2.5 -22,-0.0 2,-0.6 -0.960 12.0-126.7-120.4 131.3 49.8 3.4 36.2 28 53 A L E -a 4 0A 35 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.649 23.2-175.8 -77.8 118.3 50.7 0.2 38.0 29 54 A A E - 0 0 22 -25,-3.4 2,-0.3 -2,-0.6 -24,-0.2 0.460 52.3 -69.5 -96.8 -3.1 54.4 -0.0 38.5 30 55 A G E - 0 0 1 -26,-0.5 -24,-1.7 21,-0.0 2,-0.3 -0.869 46.2-122.6 138.4-173.9 54.8 -3.5 40.1 31 56 A F E -ac 6 51A 1 19,-1.8 21,-2.0 -2,-0.3 2,-0.4 -0.989 4.8-135.9-165.7 148.9 54.0 -5.3 43.2 32 57 A H E +ac 7 52A 37 -26,-2.3 -24,-2.0 -2,-0.3 2,-0.2 -0.962 29.2 153.1-119.2 137.6 55.5 -7.3 46.1 33 58 A E - 0 0 11 19,-0.5 6,-0.2 -2,-0.4 -26,-0.0 -0.733 30.9-157.3-162.2 104.7 54.1 -10.5 47.5 34 59 A K S S+ 0 0 76 -2,-0.2 2,-0.4 4,-0.1 -1,-0.1 0.889 75.2 88.5 -45.2 -45.8 56.0 -13.3 49.3 35 60 A D > - 0 0 74 1,-0.1 4,-2.3 2,-0.1 5,-0.2 -0.433 66.3-154.0 -70.7 119.8 53.2 -15.9 48.5 36 61 A D H > S+ 0 0 98 -2,-0.4 4,-1.8 1,-0.2 -1,-0.1 0.875 92.8 46.3 -55.3 -50.1 53.6 -17.6 45.1 37 62 A A H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 111.4 51.2 -66.4 -45.7 49.9 -18.4 44.6 38 63 A L H > S+ 0 0 35 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.896 113.5 46.8 -57.2 -38.8 48.8 -14.9 45.5 39 64 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.808 105.8 58.2 -73.3 -29.1 51.3 -13.5 43.1 40 65 A A H X S+ 0 0 15 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.957 106.6 48.4 -66.7 -48.6 50.3 -15.9 40.3 41 66 A E H X S+ 0 0 61 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.913 111.7 51.3 -49.8 -49.6 46.7 -14.6 40.4 42 67 A F H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.926 108.6 47.8 -64.8 -46.1 48.0 -11.0 40.3 43 68 A S H < S+ 0 0 43 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.878 107.7 58.9 -62.6 -36.4 50.3 -11.4 37.3 44 69 A A H < S+ 0 0 24 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.914 113.2 37.0 -54.0 -53.6 47.5 -13.1 35.5 45 70 A V H < S+ 0 0 10 -4,-1.7 2,-0.7 1,-0.2 -2,-0.2 0.817 119.5 45.7 -71.9 -36.1 45.2 -10.1 35.9 46 71 A Y S < S- 0 0 18 -4,-2.7 -1,-0.2 -5,-0.2 632,-0.0 -0.922 75.5-160.7-113.0 110.4 47.7 -7.3 35.5 47 72 A A S S+ 0 0 87 -2,-0.7 -1,-0.2 1,-0.2 -2,-0.0 0.894 83.1 52.6 -63.0 -43.5 49.7 -8.2 32.5 48 73 A D S S+ 0 0 96 1,-0.1 -1,-0.2 2,-0.1 -5,-0.1 0.939 77.7 164.0 -63.2 -45.0 52.8 -6.1 33.0 49 74 A A - 0 0 15 1,-0.2 2,-0.8 -7,-0.1 -1,-0.1 0.687 20.5-168.4 52.8 43.6 53.1 -7.5 36.4 50 75 A R - 0 0 52 1,-0.1 -19,-1.8 854,-0.0 2,-0.7 -0.540 11.4-154.2 -74.2 116.7 56.6 -6.7 37.5 51 76 A R E -c 31 0A 94 -2,-0.8 2,-0.3 852,-0.4 -19,-0.2 -0.769 4.1-155.3 -93.8 116.3 57.1 -8.7 40.7 52 77 A I E -c 32 0A 42 -21,-2.0 -19,-0.5 -2,-0.7 3,-0.0 -0.632 9.7-144.6 -92.4 140.2 59.6 -7.3 43.1 53 78 A A S S+ 0 0 95 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.677 81.6 41.3 -82.1 -15.6 61.4 -9.7 45.5 54 79 A T > - 0 0 65 1,-0.1 4,-0.9 -21,-0.0 3,-0.1 -0.997 65.2-145.1-141.8 129.6 61.6 -7.3 48.4 55 80 A A H >> S+ 0 0 16 -2,-0.4 4,-2.4 1,-0.2 3,-0.8 0.907 101.8 61.4 -58.6 -48.3 59.2 -4.7 49.8 56 81 A E H 3> S+ 0 0 84 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.858 97.1 59.1 -46.4 -46.7 62.0 -2.4 50.7 57 82 A E H 34 S+ 0 0 47 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.890 108.6 43.6 -54.3 -42.7 63.0 -2.1 47.0 58 83 A I H X< S+ 0 0 1 -4,-0.9 3,-1.3 -3,-0.8 -2,-0.2 0.921 114.7 51.6 -68.2 -42.2 59.5 -0.8 46.1 59 84 A L H 3< S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.898 109.0 48.1 -58.8 -45.0 59.6 1.5 49.2 60 85 A E T 3< S+ 0 0 70 -4,-2.9 2,-0.6 -5,-0.1 -1,-0.3 0.126 85.1 117.3 -85.0 21.0 63.0 3.0 48.3 61 86 A D X - 0 0 49 -3,-1.3 3,-1.4 1,-0.1 -3,-0.0 -0.819 53.4-156.6-104.5 114.9 62.0 3.7 44.7 62 87 A E T 3 S+ 0 0 99 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.718 86.7 55.6 -65.7 -21.5 62.0 7.4 43.8 63 88 A N T 3 S+ 0 0 120 -61,-0.0 2,-0.5 2,-0.0 -60,-0.3 0.433 87.6 86.4 -93.5 -5.1 59.5 7.1 40.8 64 89 A I < + 0 0 5 -3,-1.4 -60,-0.2 -6,-0.2 -3,-0.1 -0.884 47.8 177.9-104.6 120.8 56.6 5.5 42.7 65 90 A G + 0 0 25 -62,-2.0 24,-1.6 -2,-0.5 2,-0.3 0.626 60.0 42.5 -98.2 -14.0 54.3 7.8 44.5 66 91 A L E -bd 4 89A 0 -63,-1.2 -61,-2.8 22,-0.2 2,-0.5 -0.992 54.6-157.5-143.4 140.2 51.6 5.5 46.0 67 92 A I E -bd 5 90A 1 22,-1.6 24,-2.3 -2,-0.3 2,-0.4 -0.980 10.9-166.3-119.6 125.3 51.4 2.2 47.8 68 93 A V E +bd 6 91A 0 -63,-3.2 -61,-2.8 -2,-0.5 2,-0.3 -0.918 18.1 177.5-106.2 136.7 48.2 0.2 47.7 69 94 A S E + d 0 92A 2 22,-2.0 24,-2.1 -2,-0.4 -61,-0.2 -0.992 38.1 172.1-144.5 153.4 47.8 -2.6 50.1 70 95 A A + 0 0 0 -62,-2.5 -59,-0.9 -2,-0.3 -60,-0.3 -0.341 38.5 154.5-142.9 52.7 45.6 -5.4 51.5 71 96 A A - 0 0 8 -64,-0.3 5,-0.2 1,-0.2 22,-0.1 -0.103 65.1 -53.7 -67.0 174.5 48.1 -7.2 53.7 72 97 A V >> - 0 0 16 1,-0.1 3,-2.4 3,-0.1 4,-0.9 -0.335 66.7-117.1 -50.9 133.2 47.1 -9.3 56.7 73 98 A S H >> S+ 0 0 4 1,-0.3 3,-1.2 2,-0.2 4,-0.6 0.885 111.1 53.1 -54.8 -48.0 45.0 -6.7 58.6 74 99 A S H 34 S+ 0 0 22 96,-1.6 4,-0.3 1,-0.2 -1,-0.3 0.585 110.2 52.0 -59.8 -9.9 47.2 -6.4 61.7 75 100 A E H <> S+ 0 0 114 -3,-2.4 4,-1.4 95,-0.2 -1,-0.2 0.622 86.1 81.4-106.4 -17.3 50.2 -5.8 59.5 76 101 A R H S+ 0 0 123 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.779 114.7 53.1 -67.3 -25.9 53.4 -0.9 60.0 79 104 A L H X S+ 0 0 17 -4,-1.4 4,-2.5 -3,-0.3 -1,-0.2 0.973 108.8 48.5 -68.9 -55.0 53.5 -1.2 56.3 80 105 A A H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.773 111.1 52.3 -48.6 -37.6 51.7 2.1 55.8 81 106 A I H X S+ 0 0 29 -4,-1.8 4,-2.9 -5,-0.2 -1,-0.2 0.918 109.0 47.8 -69.1 -47.9 54.1 3.7 58.2 82 107 A R H X S+ 0 0 59 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.899 114.0 50.6 -58.3 -37.5 57.2 2.4 56.4 83 108 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 3,-0.2 0.914 110.9 45.8 -66.3 -48.0 55.5 3.7 53.2 84 109 A X H ><5S+ 0 0 2 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.925 109.5 54.5 -64.7 -41.9 54.8 7.1 54.6 85 110 A Q H 3<5S+ 0 0 118 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.800 103.3 56.6 -66.9 -26.1 58.2 7.5 56.0 86 111 A H T 3<5S- 0 0 75 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.036 129.3 -96.8 -88.1 21.1 59.8 6.8 52.5 87 112 A G T < 5S+ 0 0 43 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.727 81.8 132.2 74.4 24.7 57.7 9.7 51.1 88 113 A K < - 0 0 13 -5,-2.3 -1,-0.2 -6,-0.1 -22,-0.2 -0.892 50.8-137.0-111.6 139.6 54.7 7.7 49.8 89 114 A D E -d 66 0A 3 -24,-1.6 -22,-1.6 -2,-0.4 2,-0.4 -0.385 31.7-145.1 -71.6 166.7 51.0 8.3 50.2 90 115 A V E -de 67 117A 2 26,-2.7 28,-3.2 -24,-0.2 2,-0.5 -0.994 24.3-167.7-151.1 136.7 49.0 5.1 50.8 91 116 A L E +de 68 118A 0 -24,-2.3 -22,-2.0 -2,-0.4 2,-0.3 -0.992 25.1 179.4-120.8 118.0 45.7 3.5 50.1 92 117 A V E -de 69 119A 3 26,-2.5 28,-2.2 -2,-0.5 -22,-0.2 -0.811 30.4-103.4-121.4 157.0 45.0 0.5 52.1 93 118 A D E - e 0 120A 2 -24,-2.1 28,-0.1 -2,-0.3 -22,-0.1 -0.473 61.0 -65.8 -70.2 149.4 42.1 -2.0 52.4 94 119 A K S S+ 0 0 7 26,-0.8 -81,-0.1 -2,-0.1 2,-0.1 -0.533 117.2 52.5 -66.0 142.4 39.7 -1.7 55.4 95 120 A P - 0 0 0 0, 0.0 -19,-0.1 0, 0.0 -2,-0.1 0.702 67.2-170.4 -72.8 149.8 40.5 -2.2 58.2 96 121 A G S S- 0 0 0 1,-0.2 2,-0.3 -2,-0.1 -16,-0.2 0.742 73.7 -6.3 -78.0 -24.8 43.4 0.1 58.1 97 122 A X - 0 0 0 -21,-0.1 -1,-0.2 79,-0.1 -23,-0.1 -0.972 56.0-137.6-161.5 170.2 44.5 -1.2 61.5 98 123 A T S S+ 0 0 14 -2,-0.3 2,-0.3 -25,-0.1 -24,-0.1 0.400 76.6 39.1-121.1 4.4 43.4 -3.5 64.2 99 124 A S S > S- 0 0 38 1,-0.1 4,-1.9 77,-0.1 5,-0.2 -0.991 73.0-115.5-151.6 159.1 44.2 -1.6 67.5 100 125 A F H > S+ 0 0 100 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.860 115.0 58.1 -62.2 -37.2 44.2 1.8 69.3 101 126 A D H > S+ 0 0 135 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.954 107.3 45.2 -58.3 -47.6 47.9 1.6 69.5 102 127 A Q H > S+ 0 0 45 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.858 111.4 53.5 -62.1 -36.1 48.4 1.2 65.8 103 128 A L H X S+ 0 0 4 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.890 109.1 50.1 -66.8 -41.6 45.8 4.1 65.2 104 129 A A H X S+ 0 0 58 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.966 110.8 47.7 -55.6 -56.5 47.9 6.2 67.5 105 130 A K H X S+ 0 0 45 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.893 111.6 51.5 -63.2 -33.8 51.1 5.4 65.6 106 131 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.935 107.4 51.5 -67.2 -41.7 49.5 6.1 62.2 107 132 A R H X S+ 0 0 87 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.845 109.5 50.8 -61.6 -39.2 48.2 9.5 63.2 108 133 A R H X S+ 0 0 164 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.901 112.0 46.7 -64.7 -42.2 51.6 10.5 64.4 109 134 A V H < S+ 0 0 8 -4,-1.7 4,-0.5 2,-0.2 6,-0.3 0.813 109.7 51.8 -69.8 -37.2 53.3 9.4 61.2 110 135 A Q H X S+ 0 0 43 -4,-2.5 4,-2.4 2,-0.2 3,-0.5 0.866 113.0 47.1 -66.6 -37.1 50.8 11.1 59.0 111 136 A A H < S+ 0 0 72 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.945 110.8 52.0 -62.5 -47.8 51.4 14.2 61.1 112 137 A E T < S+ 0 0 114 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.572 127.5 19.5 -68.7 -5.5 55.2 13.8 60.8 113 138 A T T 4 S- 0 0 43 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.540 82.6-134.0-141.0 -22.6 55.0 13.4 57.0 114 139 A G < + 0 0 42 -4,-2.4 2,-0.1 1,-0.2 -4,-0.1 0.639 54.4 146.9 65.3 9.2 51.8 14.9 55.4 115 140 A R - 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0 0 29 -4,-0.2 5,-0.1 1,-0.0 -4,-0.0 -0.741 55.7-138.2 -94.8 121.1 -4.5 13.6 66.8 493 187 D P > - 0 0 50 0, 0.0 3,-0.5 0, 0.0 4,-0.2 0.004 34.6-101.4 -57.6 173.3 -6.4 14.0 70.2 494 188 D D G > S+ 0 0 130 1,-0.2 3,-0.9 2,-0.1 -2,-0.0 0.773 116.0 61.5 -75.9 -23.0 -4.8 16.3 72.8 495 189 D W G > S+ 0 0 24 1,-0.2 3,-1.4 2,-0.1 7,-0.4 0.701 85.8 77.7 -78.7 -17.1 -3.3 13.6 75.0 496 190 D F G < S+ 0 0 8 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.753 96.3 45.2 -58.5 -29.7 -1.1 12.3 72.1 497 191 D F G < S+ 0 0 43 -3,-0.9 2,-0.7 -4,-0.2 46,-0.3 0.253 92.8 98.6-103.1 11.1 1.4 15.1 72.6 498 192 D R X> - 0 0 115 -3,-1.4 4,-2.4 1,-0.2 3,-1.4 -0.894 61.7-153.2-108.1 107.6 1.5 14.8 76.4 499 193 D R H 3> S+ 0 0 85 -2,-0.7 4,-1.8 1,-0.3 -1,-0.2 0.852 95.9 52.4 -38.5 -54.8 4.4 12.9 77.9 500 194 D A H 34 S+ 0 0 73 1,-0.2 -1,-0.3 2,-0.1 -71,-0.1 0.797 118.1 38.9 -56.9 -29.4 2.5 11.8 81.0 501 195 D D H <4 S+ 0 0 25 -3,-1.4 -96,-1.3 -6,-0.2 -2,-0.2 0.866 119.6 37.0 -93.3 -45.0 -0.3 10.5 78.9 502 196 D Y H < S- 0 0 3 -4,-2.4 -3,-0.2 -7,-0.4 -2,-0.1 0.760 96.3-132.0 -84.9 -27.7 1.2 8.7 75.8 503 197 D G < - 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