==== 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 05-SEP-08 3EER . COMPND 2 MOLECULE: ORGANIC HYDROPEROXIDE RESISTANCE PROTEIN, PUTATIV . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR EL TOR; . AUTHOR B.NOCEK,N.MALTSEVA,K.KWON,W.F.ANDERSON,A.JOACHIMIAK,CENTER F . 140 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 11 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 6 A X 0 0 155 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -9.1 26.1 9.4 32.7 2 7 A S - 0 0 106 2,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.559 360.0-127.9 -81.6 160.4 23.0 10.5 34.5 3 8 A T - 0 0 100 -2,-0.2 3,-0.1 1,-0.1 0, 0.0 -0.957 24.0-177.6-116.0 125.2 19.8 9.0 33.2 4 9 A I S S+ 0 0 170 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.769 73.6 3.6 -91.6 -26.6 16.8 11.2 32.4 5 10 A Y + 0 0 160 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 -0.974 61.0 180.0-158.3 140.1 14.4 8.4 31.4 6 11 A Q + 0 0 161 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.985 2.7 179.2-143.0 159.0 14.3 4.6 31.3 7 12 A T - 0 0 79 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.966 13.5-143.1-152.7 158.5 11.9 2.0 30.3 8 13 A S - 0 0 67 -2,-0.3 14,-2.5 2,-0.0 15,-0.3 -0.948 11.1-175.4-128.0 151.8 11.5 -1.8 30.1 9 14 A A E -A 21 0A 64 -2,-0.3 2,-0.4 12,-0.3 12,-0.3 -0.985 11.1-148.7-143.0 154.5 9.9 -4.2 27.7 10 15 A T E +A 20 0A 93 10,-2.4 10,-1.7 -2,-0.3 2,-0.3 -0.974 15.8 171.5-131.0 135.0 9.5 -8.0 27.7 11 16 A A E +A 19 0A 56 -2,-0.4 8,-0.1 8,-0.2 4,-0.1 -0.991 7.6 172.1-134.9 140.6 9.3 -10.6 25.0 12 17 A S S S+ 0 0 117 6,-0.6 7,-0.1 -2,-0.3 -1,-0.1 0.459 76.7 51.6-126.1 -5.7 9.3 -14.4 25.5 13 18 A A S > S- 0 0 57 5,-0.5 3,-1.9 1,-0.4 6,-0.1 0.019 90.8-141.5-121.2 26.6 8.5 -15.8 22.0 14 19 A G T 3 S- 0 0 48 1,-0.2 -1,-0.4 4,-0.1 3,-0.2 -0.211 71.8 -10.2 54.5-133.1 11.2 -13.9 20.0 15 20 A R T 3 S+ 0 0 67 1,-0.2 2,-0.3 -4,-0.1 -1,-0.2 0.434 133.1 59.3 -81.3 -1.6 10.1 -12.8 16.6 16 21 A N S < S+ 0 0 78 -3,-1.9 2,-0.3 15,-0.2 -1,-0.2 -0.677 100.7 34.1-131.2 75.8 6.8 -14.7 16.6 17 22 A G E S- B 0 30A 21 13,-1.1 13,-2.0 -2,-0.3 2,-0.1 -0.976 91.6 -43.2 166.1-171.3 4.7 -13.6 19.5 18 23 A V E - B 0 29A 93 -2,-0.3 -6,-0.6 11,-0.2 -5,-0.5 -0.420 39.0-176.5 -87.5 157.1 3.8 -10.7 21.7 19 24 A V E +AB 11 28A 29 9,-2.2 9,-2.9 -8,-0.1 2,-0.3 -0.982 9.3 172.5-145.1 145.0 6.0 -8.0 23.1 20 25 A S E -AB 10 27A 24 -10,-1.7 -10,-2.4 -2,-0.3 7,-0.2 -0.998 32.2-113.0-150.5 154.0 5.1 -5.1 25.4 21 26 A T E > -A 9 0A 19 5,-2.5 3,-1.4 -2,-0.3 -12,-0.3 -0.484 38.2-112.6 -75.8 155.9 6.4 -2.3 27.5 22 27 A E T 3 S+ 0 0 151 -14,-2.5 -13,-0.1 1,-0.3 -1,-0.1 0.876 120.5 46.8 -55.8 -40.2 6.0 -2.6 31.2 23 28 A D T 3 S- 0 0 90 -15,-0.3 -1,-0.3 1,-0.0 -14,-0.1 0.432 109.4-125.8 -84.8 -0.7 3.6 0.4 31.2 24 29 A K S < S+ 0 0 104 -3,-1.4 3,-0.1 2,-0.2 -2,-0.1 0.530 72.7 127.5 65.6 13.3 1.7 -1.0 28.2 25 30 A L S S+ 0 0 148 1,-0.2 2,-0.5 -5,-0.0 -1,-0.1 0.814 80.2 37.7 -61.6 -31.3 2.0 2.1 26.1 26 31 A L + 0 0 91 2,-0.0 -5,-2.5 0, 0.0 2,-0.4 -0.991 69.3 162.9-122.6 119.8 3.4 -0.3 23.4 27 32 A E E +B 20 0A 132 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.963 18.7 170.7-134.9 117.5 1.8 -3.7 23.1 28 33 A L E -B 19 0A 53 -9,-2.9 -9,-2.2 -2,-0.4 2,-0.4 -0.931 34.8-136.3-133.7 150.8 2.5 -5.5 19.8 29 34 A N E -B 18 0A 110 -2,-0.4 14,-1.1 -11,-0.2 2,-0.4 -0.858 27.8-160.5 -93.2 142.3 2.2 -8.7 18.0 30 35 A L E +Bc 17 43A 16 -13,-2.0 -13,-1.1 -2,-0.4 2,-0.3 -0.960 15.6 165.0-120.7 144.6 5.3 -9.7 16.0 31 36 A S - 0 0 12 12,-2.1 -15,-0.2 -2,-0.4 7,-0.1 -0.974 44.1 -90.7-146.1 158.8 5.6 -12.2 13.1 32 37 A Y - 0 0 95 -2,-0.3 8,-1.6 4,-0.1 9,-0.3 -0.466 49.1-116.0 -59.6 140.6 8.1 -13.1 10.5 33 38 A P > > - 0 0 21 0, 0.0 5,-2.4 0, 0.0 3,-1.9 -0.294 30.4-100.3 -68.4 167.1 7.5 -11.1 7.3 34 39 A K G > 5S+ 0 0 155 1,-0.3 3,-1.9 3,-0.2 -2,-0.1 0.861 123.8 64.3 -56.3 -34.6 6.6 -12.9 4.1 35 40 A E G 3 5S+ 0 0 169 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.673 106.4 42.5 -63.0 -18.3 10.2 -12.6 3.1 36 41 A X G < 5S- 0 0 74 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.054 130.4 -90.2-117.3 19.9 11.1 -14.8 6.0 37 42 A G T < 5S+ 0 0 73 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.526 89.0 117.7 89.5 11.1 8.3 -17.3 5.6 38 43 A G S - 0 0 15 -14,-0.2 4,-2.1 -28,-0.1 3,-0.2 -0.952 36.5 -87.5-159.8 167.5 9.2 -7.1 13.5 45 50 A P H > S+ 0 0 43 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.769 120.5 56.3 -64.5 -25.3 12.4 -5.9 15.0 46 51 A E H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.903 109.0 46.5 -71.0 -41.4 13.7 -4.3 11.8 47 52 A Q H > S+ 0 0 103 -3,-0.2 4,-2.6 2,-0.2 5,-0.3 0.893 110.8 53.0 -64.1 -39.7 10.5 -2.2 11.6 48 53 A L H X S+ 0 0 64 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.913 111.7 45.7 -62.0 -41.2 10.8 -1.3 15.2 49 54 A F H X S+ 0 0 44 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.905 112.1 51.2 -67.7 -42.7 14.4 -0.1 14.7 50 55 A A H X S+ 0 0 20 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.921 112.6 45.7 -60.5 -44.2 13.5 1.8 11.5 51 56 A V H X S+ 0 0 104 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.935 115.6 46.9 -64.7 -45.3 10.7 3.6 13.4 52 57 A G H X S+ 0 0 16 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.930 115.7 43.3 -65.2 -43.3 12.8 4.4 16.3 53 58 A Y H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.4 0.899 111.5 53.9 -72.5 -40.5 15.8 5.6 14.4 54 59 A A H X S+ 0 0 22 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.967 115.8 40.3 -55.7 -49.7 13.7 7.7 11.9 55 60 A A H X S+ 0 0 64 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.929 117.2 47.7 -65.2 -43.8 12.1 9.5 14.9 56 61 A C H X S+ 0 0 32 -4,-2.7 4,-1.7 -5,-0.3 -1,-0.2 0.827 115.1 45.3 -70.7 -32.0 15.3 9.8 16.9 57 62 A F H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.901 110.9 51.9 -79.7 -40.9 17.3 11.1 14.0 58 63 A S H X S+ 0 0 28 -4,-2.5 4,-2.2 -5,-0.4 -2,-0.2 0.935 111.7 49.8 -52.7 -43.0 14.6 13.5 12.9 59 64 A N H X S+ 0 0 98 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.896 105.3 55.6 -67.0 -39.4 14.7 14.7 16.5 60 65 A A H X S+ 0 0 5 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.910 108.1 49.0 -57.5 -44.6 18.5 15.1 16.5 61 66 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.943 112.4 47.8 -57.6 -49.9 18.2 17.4 13.4 62 67 A L H X S+ 0 0 57 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.898 113.7 48.8 -59.6 -39.7 15.5 19.4 15.2 63 68 A H H X S+ 0 0 63 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.935 112.8 45.0 -66.6 -49.5 17.6 19.6 18.3 64 69 A V H X S+ 0 0 14 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.908 114.2 50.3 -65.1 -39.1 20.8 20.6 16.6 65 70 A A H <>S+ 0 0 1 -4,-2.7 5,-2.9 -5,-0.2 4,-0.3 0.942 109.5 50.2 -64.0 -46.5 19.0 23.2 14.5 66 71 A R H ><5S+ 0 0 146 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.931 111.3 49.2 -58.2 -45.6 17.2 24.7 17.6 67 72 A E H 3<5S+ 0 0 117 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.812 110.2 50.7 -65.4 -27.3 20.6 25.0 19.4 68 73 A A T 3<5S- 0 0 56 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.333 117.5-115.0 -88.6 4.4 22.1 26.7 16.3 69 74 A K T < 5 + 0 0 190 -3,-1.6 2,-0.6 -4,-0.3 -3,-0.2 0.812 69.0 143.5 61.1 36.3 19.2 29.1 16.3 70 75 A V < - 0 0 26 -5,-2.9 2,-0.7 -6,-0.2 -1,-0.2 -0.924 47.9-135.9-105.9 120.2 18.0 27.8 12.9 71 76 A A + 0 0 101 -2,-0.6 2,-0.4 -3,-0.1 -5,-0.0 -0.719 28.0 178.0 -83.0 113.4 14.2 27.7 12.7 72 77 A L - 0 0 40 -2,-0.7 3,-0.1 -10,-0.1 31,-0.0 -0.956 23.7-165.5-116.2 137.9 12.9 24.4 11.2 73 78 A K S S- 0 0 215 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.718 77.7 -11.9 -85.2 -26.5 9.2 23.5 10.7 74 79 A E - 0 0 142 2,-0.0 28,-0.4 26,-0.0 -1,-0.3 -0.965 50.2-151.0-167.6 161.0 9.9 19.8 10.1 75 80 A A - 0 0 4 -2,-0.3 2,-0.2 -3,-0.1 26,-0.1 -0.662 20.4-155.1-146.8 80.0 12.8 17.4 9.4 76 81 A P + 0 0 63 0, 0.0 24,-1.4 0, 0.0 2,-0.4 -0.449 15.9 178.7 -64.2 125.8 11.7 14.4 7.4 77 82 A V E -D 99 0B 20 -2,-0.2 2,-0.6 22,-0.2 22,-0.2 -1.000 13.9-164.0-127.7 128.8 13.9 11.3 7.8 78 83 A T E -D 98 0B 83 20,-2.2 20,-2.7 -2,-0.4 2,-0.5 -0.969 10.3-161.6-110.3 116.5 13.3 8.0 6.2 79 84 A A E -D 97 0B 14 -2,-0.6 2,-0.5 18,-0.2 18,-0.2 -0.881 1.4-162.9 -98.8 128.7 15.3 5.2 7.8 80 85 A T E -D 96 0B 91 16,-2.9 16,-2.3 -2,-0.5 2,-0.5 -0.965 10.4-172.9-114.3 117.6 15.7 2.0 5.8 81 86 A V E -D 95 0B 24 -2,-0.5 2,-0.3 14,-0.2 14,-0.2 -0.954 3.4-178.5-116.9 127.9 16.7 -1.0 7.8 82 87 A G E -D 94 0B 24 12,-2.2 12,-2.3 -2,-0.5 2,-0.4 -0.856 11.2-153.6-121.7 159.3 17.8 -4.4 6.4 83 88 A I E +D 93 0B 59 -2,-0.3 10,-0.2 10,-0.2 8,-0.0 -0.988 24.3 146.5-127.0 142.4 18.8 -7.7 8.0 84 89 A G E -D 92 0B 24 8,-1.7 8,-2.5 -2,-0.4 2,-0.0 -0.976 50.5 -70.6-159.8 172.7 20.9 -10.4 6.6 85 90 A P E -D 91 0B 111 0, 0.0 6,-0.3 0, 0.0 -2,-0.0 -0.344 29.9-152.1 -64.1 145.0 23.4 -13.1 7.5 86 91 A N - 0 0 68 4,-2.1 5,-0.2 -2,-0.0 7,-0.0 0.425 35.5-118.1 -99.3 1.3 26.9 -11.9 8.6 87 92 A G S S+ 0 0 79 3,-0.5 4,-0.1 1,-0.1 0, 0.0 0.521 101.2 86.1 76.6 2.2 28.8 -15.0 7.5 88 93 A Q S S- 0 0 173 2,-0.1 3,-0.1 0, 0.0 -1,-0.1 -0.122 118.5 -86.3-121.4 27.7 29.8 -15.6 11.1 89 94 A G S S+ 0 0 85 1,-0.3 2,-0.2 0, 0.0 0, 0.0 0.532 105.2 66.1 81.8 5.4 26.7 -17.5 12.2 90 95 A G S S- 0 0 21 -6,-0.0 -4,-2.1 0, 0.0 -3,-0.5 -0.466 78.8 -95.3-133.9-153.7 24.6 -14.5 13.0 91 96 A F E -D 85 0B 149 -6,-0.3 2,-0.3 -2,-0.2 -8,-0.0 -0.945 20.7-158.5-135.6 155.4 23.0 -11.5 11.5 92 97 A A E -D 84 0B 52 -8,-2.5 -8,-1.7 -2,-0.3 2,-0.3 -0.970 15.5-129.5-132.8 149.5 23.7 -7.9 10.9 93 98 A L E -D 83 0B 59 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.728 12.2-155.5 -95.0 144.8 21.6 -4.8 10.3 94 99 A S E -D 82 0B 71 -12,-2.3 -12,-2.2 -2,-0.3 2,-0.4 -0.913 14.7-166.5-109.9 144.7 22.1 -2.3 7.4 95 100 A V E -D 81 0B 5 -2,-0.4 37,-2.4 35,-0.3 2,-0.4 -0.995 14.3-176.3-139.2 130.5 20.8 1.2 7.9 96 101 A A E -De 80 132B 36 -16,-2.3 -16,-2.9 -2,-0.4 2,-0.5 -0.989 10.1-161.2-117.3 136.4 20.3 4.1 5.5 97 102 A L E -De 79 133B 0 35,-2.3 37,-2.6 -2,-0.4 2,-0.8 -0.980 1.8-167.3-117.7 115.9 19.1 7.5 6.8 98 103 A A E -De 78 134B 29 -20,-2.7 -20,-2.2 -2,-0.5 2,-0.3 -0.903 16.4-172.0-105.5 103.2 17.6 9.8 4.2 99 104 A A E -De 77 135B 0 35,-2.8 37,-2.3 -2,-0.8 38,-0.5 -0.722 8.1-164.1 -99.4 150.8 17.4 13.2 5.9 100 105 A H + 0 0 64 -24,-1.4 2,-0.4 -2,-0.3 35,-0.0 -0.997 10.2 173.4-140.7 126.4 15.7 16.3 4.5 101 106 A I - 0 0 6 -2,-0.4 2,-2.2 2,-0.2 7,-0.1 -0.999 35.7-127.2-135.2 134.7 16.1 19.9 5.7 102 107 A A S S+ 0 0 101 -28,-0.4 2,-0.3 -2,-0.4 -29,-0.0 -0.366 79.9 90.4 -83.4 62.8 14.5 23.0 3.9 103 108 A L S S- 0 0 50 -2,-2.2 -2,-0.2 1,-0.0 5,-0.0 -0.906 90.5 -64.4-142.6 171.1 17.9 24.8 3.7 104 109 A E > - 0 0 161 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.246 56.4-106.5 -63.0 153.1 20.7 25.1 1.2 105 110 A D H > S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.850 115.0 46.1 -56.6 -46.2 22.6 21.8 0.7 106 111 A E H > S+ 0 0 110 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.929 113.0 48.5 -68.4 -44.1 25.8 22.7 2.6 107 112 A Q H > S+ 0 0 87 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 112.6 50.5 -57.2 -43.4 24.0 24.1 5.6 108 113 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.929 109.3 50.9 -60.3 -43.8 21.8 21.0 5.6 109 114 A R H X S+ 0 0 55 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.891 109.4 51.1 -60.7 -41.3 24.9 18.8 5.4 110 115 A Q H X S+ 0 0 106 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.928 111.3 46.8 -63.8 -44.0 26.5 20.6 8.3 111 116 A L H X S+ 0 0 12 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.921 113.6 48.4 -63.0 -45.5 23.4 20.2 10.5 112 117 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.893 108.5 54.4 -63.3 -38.2 23.0 16.5 9.6 113 118 A T H < S+ 0 0 59 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.927 112.2 43.2 -62.5 -45.0 26.7 15.8 10.3 114 119 A V H >X S+ 0 0 69 -4,-2.0 3,-1.8 1,-0.2 4,-1.4 0.918 110.7 55.3 -67.5 -41.2 26.4 17.3 13.8 115 120 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.3 3,-0.3 0.881 102.4 58.0 -56.2 -38.0 23.1 15.5 14.4 116 121 A H H 3< S+ 0 0 34 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.549 107.9 47.1 -72.4 -11.4 24.8 12.2 13.6 117 122 A Q H <4 S+ 0 0 112 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.656 117.4 41.6 -91.2 -27.1 27.3 12.9 16.4 118 123 A V H < S+ 0 0 65 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.1 0.786 87.4 99.1 -87.8 -38.4 24.5 13.8 18.9 119 124 A C X - 0 0 1 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 -0.343 65.3-143.6 -65.5 128.6 21.8 11.2 18.3 120 125 A P H > S+ 0 0 86 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.844 101.5 54.8 -63.5 -29.4 21.9 8.3 20.8 121 126 A Y H > S+ 0 0 78 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.944 110.7 45.3 -66.2 -44.7 20.9 5.8 18.0 122 127 A S H > S+ 0 0 1 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.921 113.0 50.9 -62.5 -41.0 23.9 7.0 15.9 123 128 A N H < S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.861 107.3 55.2 -62.5 -37.0 26.1 6.8 18.9 124 129 A A H < S+ 0 0 72 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.842 117.9 31.1 -64.9 -33.4 24.9 3.3 19.7 125 130 A V H >X S+ 0 0 15 -4,-1.4 4,-2.2 -3,-0.3 3,-2.2 0.485 81.5 133.4-109.5 -4.8 25.8 1.9 16.3 126 131 A R T 3< S+ 0 0 106 -4,-1.3 4,-0.1 1,-0.3 -3,-0.0 -0.191 79.6 10.4 -54.7 131.1 28.9 3.9 15.2 127 132 A G T 34 S+ 0 0 76 2,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.213 125.0 63.0 87.0 -20.3 31.7 1.7 13.8 128 133 A N T <4 S+ 0 0 143 -3,-2.2 2,-0.5 1,-0.4 -2,-0.2 0.808 106.6 35.9-100.3 -51.9 29.5 -1.4 13.7 129 134 A I S < S- 0 0 25 -4,-2.2 2,-1.4 -35,-0.0 -2,-0.5 -0.913 77.2-141.2-100.8 127.2 26.9 -0.4 11.2 130 135 A D - 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