==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 17-MAY-02 1IWN . COMPND 2 MOLECULE: OUTER MEMBRANE LIPOPROTEIN LOLB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.TAKEDA,H.MIYATAKE,N.YOKOTA,S.MATSUYAMA,H.TOKUDA,K.MIKI . 177 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 44.6 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 . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.3 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 . 17 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 4 1 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 1 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 10 A G 0 0 89 0, 0.0 121,-0.2 0, 0.0 122,-0.1 0.000 360.0 360.0 360.0-139.0 -11.6 75.6 -67.8 2 11 A K B -A 121 0A 80 119,-0.7 119,-0.7 120,-0.3 4,-0.1 -0.290 360.0-104.4 -66.1 152.4 -8.2 74.3 -68.9 3 12 A S - 0 0 64 2,-0.1 6,-0.2 1,-0.1 -1,-0.1 -0.515 9.4-134.9 -81.0 143.7 -8.0 71.0 -70.7 4 13 A P S S+ 0 0 59 0, 0.0 2,-1.8 0, 0.0 -1,-0.1 0.761 99.9 78.2 -65.0 -22.7 -6.7 67.8 -69.0 5 14 A D S S+ 0 0 124 4,-0.1 -2,-0.1 3,-0.0 3,-0.1 -0.489 74.0 111.0 -85.7 66.0 -4.7 67.3 -72.3 6 15 A S > - 0 0 8 -2,-1.8 4,-1.7 1,-0.1 3,-0.3 -1.000 69.9-133.8-142.3 137.9 -2.1 69.9 -71.3 7 16 A P H > S+ 0 0 84 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.839 105.4 57.5 -60.6 -31.9 1.6 69.4 -70.3 8 17 A Q H > S+ 0 0 82 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.898 104.9 50.0 -67.8 -37.6 1.3 71.7 -67.3 9 18 A W H > S+ 0 0 2 -3,-0.3 4,-2.1 -6,-0.2 -1,-0.2 0.908 113.8 46.3 -65.3 -41.2 -1.5 69.6 -65.7 10 19 A R H X S+ 0 0 125 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.904 111.9 51.5 -66.4 -40.9 0.6 66.4 -66.3 11 20 A Q H X S+ 0 0 106 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.902 108.9 50.9 -62.7 -42.1 3.7 68.2 -64.9 12 21 A H H X S+ 0 0 17 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.925 111.9 46.5 -61.4 -45.4 1.7 69.3 -61.8 13 22 A Q H X S+ 0 0 25 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.927 112.0 51.9 -60.6 -46.5 0.5 65.7 -61.2 14 23 A Q H X S+ 0 0 96 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.926 109.5 48.5 -56.0 -50.9 4.1 64.4 -61.7 15 24 A D H X S+ 0 0 38 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.904 113.9 46.9 -57.5 -43.8 5.5 66.9 -59.2 16 25 A V H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.936 114.0 46.6 -66.0 -46.0 2.9 65.9 -56.6 17 26 A R H 3< S+ 0 0 100 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.778 105.4 62.3 -68.0 -24.7 3.4 62.2 -57.2 18 27 A N H 3< S+ 0 0 99 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.662 82.4 98.5 -74.4 -16.5 7.2 62.6 -57.0 19 28 A L << - 0 0 20 -3,-1.1 3,-0.1 -4,-0.6 -3,-0.0 -0.433 57.0-163.5 -70.7 148.5 6.9 63.9 -53.4 20 29 A N S S+ 0 0 105 157,-2.2 27,-2.8 1,-0.3 2,-0.4 0.616 72.3 33.8-107.6 -19.6 7.7 61.2 -50.8 21 30 A Q E -B 46 0A 74 156,-2.8 156,-1.8 25,-0.2 2,-0.3 -1.000 61.1-174.3-141.6 136.8 6.2 62.9 -47.7 22 31 A Y E +BC 45 176A 8 23,-3.0 23,-2.7 -2,-0.4 2,-0.3 -0.965 6.2 175.5-128.1 146.2 3.2 65.2 -47.3 23 32 A Q E +BC 44 175A 59 152,-1.0 152,-2.3 -2,-0.3 2,-0.3 -0.947 8.1 150.7-156.0 129.7 2.1 67.0 -44.2 24 33 A T E -BC 43 174A 2 19,-2.2 19,-2.9 -2,-0.3 2,-0.3 -0.943 18.3-161.8-150.6 168.6 -0.7 69.5 -43.5 25 34 A R E +BC 42 173A 119 148,-0.9 147,-2.9 -2,-0.3 148,-0.8 -0.970 29.5 111.5-151.2 156.2 -3.0 70.7 -40.7 26 35 A G E -BC 41 171A 0 15,-2.1 15,-2.5 -2,-0.3 2,-0.3 -0.966 57.6 -37.4 171.8-154.2 -6.2 72.6 -40.5 27 36 A A E -BC 40 170A 37 143,-2.1 143,-2.1 -2,-0.3 2,-0.4 -0.812 41.0-161.4-108.0 146.2 -9.9 72.6 -39.8 28 37 A F E -BC 39 169A 28 11,-3.4 11,-1.9 -2,-0.3 2,-0.4 -0.957 6.5-176.5-126.0 141.7 -12.4 69.8 -40.6 29 38 A A E -BC 38 168A 8 139,-1.7 139,-2.5 -2,-0.4 2,-0.5 -0.975 8.8-172.8-143.2 125.8 -16.2 69.9 -40.8 30 39 A Y E -BC 37 167A 7 7,-2.4 7,-2.9 -2,-0.4 2,-0.5 -0.971 13.4-177.0-116.7 115.2 -18.8 67.1 -41.4 31 40 A I E +BC 36 166A 39 135,-2.6 135,-2.2 -2,-0.5 5,-0.2 -0.933 16.0 144.5-121.5 113.1 -22.3 68.4 -41.8 32 41 A S - 0 0 19 3,-2.6 133,-0.1 -2,-0.5 -2,-0.0 -0.548 61.4 -97.6-124.7-169.3 -25.2 66.0 -42.3 33 42 A D S S+ 0 0 154 -2,-0.2 3,-0.1 1,-0.1 132,-0.0 0.775 122.1 46.9 -85.2 -27.7 -28.8 66.1 -41.1 34 43 A Q S S+ 0 0 149 1,-0.2 2,-0.3 0, 0.0 -1,-0.1 0.745 124.5 4.4 -85.0 -26.4 -28.1 63.9 -38.1 35 44 A Q - 0 0 59 2,-0.0 -3,-2.6 0, 0.0 2,-0.5 -0.994 48.6-148.4-161.3 152.3 -25.0 65.8 -36.9 36 45 A K E -B 31 0A 137 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.942 28.1-174.8-125.4 106.6 -22.7 68.7 -37.3 37 46 A V E -B 30 0A 33 -7,-2.9 -7,-2.4 -2,-0.5 2,-0.3 -0.854 8.3-174.8-110.1 138.1 -19.1 68.0 -36.3 38 47 A Y E +B 29 0A 122 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.944 15.4 148.7-126.1 149.1 -16.1 70.3 -36.2 39 48 A A E -B 28 0A 5 -11,-1.9 -11,-3.4 -2,-0.3 2,-0.4 -0.981 41.5-115.0-170.4 160.4 -12.5 69.4 -35.4 40 49 A R E -BD 27 56A 97 16,-3.2 16,-2.4 -2,-0.3 2,-0.3 -0.833 38.0-160.8-101.9 146.5 -8.8 70.4 -36.1 41 50 A F E -BD 26 55A 13 -15,-2.5 -15,-2.1 -2,-0.4 2,-0.4 -0.956 20.7-158.1-134.9 152.8 -6.7 67.8 -37.9 42 51 A F E -BD 25 54A 47 12,-2.2 12,-2.6 -2,-0.3 2,-0.4 -0.998 18.3-169.2-125.0 124.4 -3.1 66.8 -38.6 43 52 A W E +BD 24 53A 10 -19,-2.9 -19,-2.2 -2,-0.4 2,-0.4 -0.972 8.4 175.5-122.5 129.6 -2.4 64.7 -41.7 44 53 A Q E +BD 23 52A 27 8,-2.4 8,-2.9 -2,-0.4 2,-0.4 -0.993 2.1 179.6-135.4 126.9 0.8 63.0 -42.5 45 54 A Q E -BD 22 51A 3 -23,-2.7 -23,-3.0 -2,-0.4 2,-0.5 -0.991 10.2-169.8-132.1 131.8 1.5 60.7 -45.4 46 55 A T E >> -BD 21 50A 49 4,-2.9 4,-1.4 -2,-0.4 3,-0.5 -0.977 69.5 -28.5-118.6 118.3 4.7 59.0 -46.4 47 56 A G T 34 S- 0 0 28 -27,-2.8 -25,-0.1 -2,-0.5 -28,-0.0 -0.518 103.0 -59.7 76.2-143.4 4.6 57.4 -49.8 48 57 A Q T 34 S+ 0 0 121 -2,-0.2 -1,-0.2 -27,-0.0 3,-0.1 0.466 130.5 35.8-117.1 -5.7 1.2 56.3 -51.0 49 58 A D T <4 S+ 0 0 90 -3,-0.5 2,-0.5 1,-0.1 -2,-0.1 0.537 96.5 77.7-126.8 -10.8 0.2 53.8 -48.3 50 59 A R E < +D 46 0A 125 -4,-1.4 -4,-2.9 19,-0.1 2,-0.3 -0.912 57.5 146.9-107.8 126.4 1.6 55.0 -45.0 51 60 A Y E -DE 45 68A 20 17,-1.9 17,-2.7 -2,-0.5 2,-0.4 -0.990 32.9-148.8-155.7 162.1 -0.3 57.8 -43.2 52 61 A R E -DE 44 67A 81 -8,-2.9 -8,-2.4 -2,-0.3 2,-0.5 -1.000 8.2-168.7-136.9 131.6 -1.3 59.3 -39.9 53 62 A L E -DE 43 66A 25 13,-3.3 13,-2.8 -2,-0.4 2,-0.5 -0.986 5.2-175.1-123.8 124.7 -4.4 61.3 -39.0 54 63 A L E -DE 42 65A 43 -12,-2.6 -12,-2.2 -2,-0.5 2,-0.4 -0.981 4.4-169.0-123.1 125.5 -4.8 63.2 -35.7 55 64 A L E -DE 41 64A 27 9,-2.7 8,-3.0 -2,-0.5 9,-1.3 -0.923 6.6-179.3-117.8 138.3 -8.0 65.0 -34.7 56 65 A T E -DE 40 62A 33 -16,-2.4 -16,-3.2 -2,-0.4 6,-0.3 -0.981 29.0-117.3-131.1 142.0 -8.6 67.4 -31.8 57 66 A N > - 0 0 35 4,-3.0 3,-3.4 -2,-0.3 -18,-0.2 -0.336 40.5 -94.5 -74.9 163.8 -11.9 69.0 -30.9 58 67 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -19,-0.1 0.656 126.2 62.9 -51.5 -16.5 -12.3 72.9 -31.0 59 68 A L T 3 S- 0 0 156 2,-0.2 3,-0.1 0, 0.0 -2,-0.0 0.539 120.5-108.1 -86.5 -8.1 -11.4 72.9 -27.3 60 69 A G S < S+ 0 0 55 -3,-3.4 2,-0.4 1,-0.3 -21,-0.0 0.309 76.0 129.9 101.1 -9.5 -8.0 71.5 -28.1 61 70 A S - 0 0 75 1,-0.1 -4,-3.0 -5,-0.1 -1,-0.3 -0.641 62.7-114.3 -83.8 133.8 -8.5 67.9 -26.7 62 71 A T E -E 56 0A 88 -2,-0.4 -6,-0.3 -6,-0.3 3,-0.1 -0.422 29.8-176.7 -65.7 135.9 -7.5 65.1 -29.0 63 72 A E E - 0 0 47 -8,-3.0 2,-0.3 1,-0.4 17,-0.2 0.764 59.6 -22.3-102.2 -39.2 -10.4 63.0 -30.1 64 73 A L E -E 55 0A 23 -9,-1.3 -9,-2.7 13,-0.2 -1,-0.4 -0.988 46.6-145.7-167.7 163.9 -8.8 60.2 -32.1 65 74 A E E -EF 54 76A 64 11,-1.9 11,-2.2 -2,-0.3 2,-0.5 -0.989 8.4-162.2-142.6 129.4 -5.8 59.1 -34.1 66 75 A L E -EF 53 75A 0 -13,-2.8 -13,-3.3 -2,-0.4 2,-0.4 -0.954 9.3-177.7-114.2 127.2 -5.6 56.9 -37.1 67 76 A N E -EF 52 74A 36 7,-2.8 7,-3.0 -2,-0.5 2,-0.4 -0.984 8.4-173.2-123.9 136.0 -2.3 55.3 -38.1 68 77 A A E +EF 51 73A 2 -17,-2.7 -17,-1.9 -2,-0.4 5,-0.2 -0.992 19.4 158.4-142.0 139.7 -2.1 53.2 -41.2 69 78 A Q - 0 0 56 3,-2.4 -19,-0.1 -2,-0.4 3,-0.1 -0.936 63.2 -70.3-142.5 154.9 0.5 50.9 -43.0 70 79 A P S S+ 0 0 90 0, 0.0 2,-0.9 0, 0.0 3,-0.0 -0.304 122.1 2.8 -54.3 126.4 -0.3 48.2 -45.5 71 80 A G S S+ 0 0 63 15,-0.3 2,-0.5 1,-0.0 14,-0.0 -0.436 120.3 76.2 96.8 -59.7 -2.0 45.4 -43.4 72 81 A N + 0 0 58 -2,-0.9 -3,-2.4 -3,-0.1 2,-0.4 -0.773 53.4 174.7 -94.8 124.9 -2.0 47.1 -40.0 73 82 A V E -FG 68 85A 7 12,-1.4 12,-2.3 -2,-0.5 2,-0.3 -0.976 8.6-174.5-130.9 117.6 -4.5 49.9 -39.3 74 83 A Q E -FG 67 84A 51 -7,-3.0 -7,-2.8 -2,-0.4 2,-0.3 -0.863 10.4-178.2-118.1 150.2 -4.8 51.4 -35.9 75 84 A L E -FG 66 83A 1 8,-2.3 8,-3.3 -2,-0.3 2,-0.5 -0.995 8.5-163.4-144.1 134.8 -7.1 53.9 -34.2 76 85 A V E -FG 65 82A 43 -11,-2.2 -11,-1.9 -2,-0.3 6,-0.2 -0.988 18.8-156.4-119.8 126.6 -7.0 55.3 -30.7 77 86 A D > - 0 0 29 4,-1.7 3,-1.8 -2,-0.5 -13,-0.2 -0.106 38.9 -76.4 -91.6-168.0 -10.2 57.0 -29.5 78 87 A N T 3 S+ 0 0 101 1,-0.3 -14,-0.1 2,-0.1 -16,-0.1 0.866 130.2 53.8 -56.5 -41.6 -11.1 59.6 -26.9 79 88 A K T 3 S- 0 0 171 -16,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.398 115.8-115.9 -76.9 4.6 -10.6 57.1 -24.1 80 89 A G < + 0 0 53 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.622 66.4 147.5 71.2 11.4 -7.2 56.3 -25.4 81 90 A Q - 0 0 103 1,-0.0 -4,-1.7 2,-0.0 2,-0.5 -0.668 43.3-134.3 -82.9 132.1 -8.3 52.7 -26.2 82 91 A R E -G 76 0A 135 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.760 21.4-173.6 -94.5 126.5 -6.5 51.2 -29.2 83 92 A Y E -G 75 0A 85 -8,-3.3 -8,-2.3 -2,-0.5 2,-0.3 -0.920 7.0-156.5-116.4 141.7 -8.5 49.4 -31.8 84 93 A T E +G 74 0A 76 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.891 20.7 151.1-119.8 149.7 -7.0 47.5 -34.8 85 94 A A E -G 73 0A 33 -12,-2.3 -12,-1.4 -2,-0.3 3,-0.1 -0.921 47.0-116.8-159.2 178.6 -8.4 46.6 -38.2 86 95 A D S S+ 0 0 132 -2,-0.3 2,-0.4 1,-0.2 -15,-0.3 0.519 94.9 55.9-106.1 -8.3 -7.4 45.9 -41.8 87 96 A D > - 0 0 43 1,-0.1 4,-2.3 -14,-0.1 -1,-0.2 -0.954 57.4-164.8-132.2 118.0 -9.3 48.7 -43.5 88 97 A A H > S+ 0 0 4 -2,-0.4 4,-2.6 2,-0.2 5,-0.2 0.912 91.4 48.2 -63.2 -46.2 -8.9 52.4 -42.6 89 98 A E H > S+ 0 0 62 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.980 114.1 44.5 -61.2 -57.5 -12.0 53.6 -44.4 90 99 A E H > S+ 0 0 134 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.923 114.8 50.6 -51.4 -49.0 -14.3 50.9 -43.0 91 100 A M H X S+ 0 0 9 -4,-2.3 4,-3.4 2,-0.2 5,-0.3 0.904 109.4 49.1 -57.4 -47.0 -12.9 51.4 -39.5 92 101 A I H X S+ 0 0 10 -4,-2.6 4,-1.7 1,-0.2 6,-0.6 0.947 113.9 47.4 -58.1 -48.5 -13.3 55.2 -39.6 93 102 A G H X S+ 0 0 23 -4,-2.7 4,-1.6 -5,-0.2 5,-0.2 0.925 117.3 42.3 -58.8 -46.0 -16.9 54.8 -40.7 94 103 A K H < S+ 0 0 178 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.888 118.1 42.9 -70.6 -42.1 -17.6 52.2 -38.1 95 104 A L H < S+ 0 0 78 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.629 126.8 28.9 -83.0 -13.5 -15.9 53.8 -35.1 96 105 A T H < S- 0 0 42 -4,-1.7 -2,-0.2 -5,-0.3 -3,-0.2 0.554 97.4-124.3-119.4 -15.1 -17.0 57.4 -35.7 97 106 A G S < S+ 0 0 44 -4,-1.6 -4,-0.2 -5,-0.4 -3,-0.1 0.678 74.1 114.3 79.0 16.1 -20.4 56.9 -37.4 98 107 A M - 0 0 18 -6,-0.6 2,-1.9 -5,-0.2 -1,-0.2 -0.985 65.8-137.3-124.5 130.0 -19.4 59.0 -40.4 99 108 A P + 0 0 50 0, 0.0 -9,-0.1 0, 0.0 -6,-0.1 -0.465 34.6 177.8 -81.2 66.3 -18.9 57.6 -44.0 100 109 A I - 0 0 23 -2,-1.9 2,-2.7 -11,-0.2 3,-0.2 -0.591 32.8-133.8 -75.3 124.6 -15.7 59.5 -44.8 101 110 A P > + 0 0 7 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.414 41.4 164.1 -77.7 69.0 -14.4 58.7 -48.2 102 111 A L H > + 0 0 10 -2,-2.7 4,-1.9 2,-0.2 -2,-0.0 0.869 66.4 52.2 -55.1 -46.6 -10.9 58.3 -46.8 103 112 A N H > S+ 0 0 74 -3,-0.2 4,-0.5 1,-0.2 3,-0.4 0.964 115.0 40.8 -58.1 -54.3 -9.4 56.4 -49.8 104 113 A S H >> S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 3,-1.3 0.890 112.4 56.9 -60.2 -41.1 -10.6 59.0 -52.4 105 114 A L H 3X S+ 0 0 18 -4,-2.6 4,-3.2 1,-0.3 5,-0.3 0.822 93.8 66.5 -61.6 -33.5 -9.6 61.8 -50.0 106 115 A R H 3< S+ 0 0 44 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.759 113.1 33.6 -61.4 -22.6 -6.0 60.6 -49.8 107 116 A Q H X<>S+ 0 0 49 -3,-1.3 5,-2.0 -4,-0.5 3,-1.0 0.856 119.6 49.6 -95.0 -49.3 -5.7 61.5 -53.5 108 117 A W H ><5S+ 0 0 1 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.827 102.5 59.4 -60.2 -38.3 -8.0 64.5 -53.5 109 118 A I T 3<5S+ 0 0 10 -4,-3.2 -1,-0.3 1,-0.3 -3,-0.1 0.787 106.0 52.7 -63.4 -23.0 -6.5 66.3 -50.5 110 119 A L T < 5S- 0 0 1 -3,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.453 124.3-104.0 -90.2 -1.8 -3.3 66.2 -52.6 111 120 A G T < 5S+ 0 0 0 -3,-1.8 16,-0.5 1,-0.3 -3,-0.2 0.719 83.0 126.1 84.7 20.6 -4.9 67.8 -55.6 112 121 A L < - 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