REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-JUL-08 3DO9 COMPND UPF0302 PROTEIN BA_1542/GBAA1542/BAS1430; COMPND 3 CHAIN: A, B, C; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; SOURCE 3 ORGANISM_COMMON: ANTHRAX,ANTHRAX BACTERIUM; SOURCE 4 ORGANISM_TAXID: 1392; SOURCE 5 GENE: BA_1542, GBAA1542, BAS1430 AUTHOR Y.PATSKOVSKY,S.OZYURT,J.FREEMAN,M.IIZUKA,M.MALETIC,D.SMITH, AUTHOR 2 S.WASSERMAN,J.M.SAUDER,S.K.BURLEY,S.C.ALMO,NEW YORK SGX AUTHOR 3 RESEARCH CENTER FOR STRUCTURAL GENOMICS (NYSGXRC) >PRO.A 4 33.96 19.33 100.50 36.13 19.40 99.92 35.04 19.36 100.21 3 0 1000.00 -999 ? >VAL.A 5 37.47 23.42 99.73 36.67 24.88 98.28 37.07 24.15 99.01 3 0 1000.00 -999 ? >SER~A 6 40.15 24.64 102.18 42.26 24.11 101.07 41.20 24.37 101.63 2 0 1000.00 -999 ? >VAL~A 7 41.15 28.03 103.66 40.88 28.66 105.77 41.01 28.35 104.71 3 0 1000.00 -999 ? >ASN~A 8 45.80 27.47 102.31 45.85 26.66 104.28 45.82 27.06 103.30 2 0 1000.00 -999 ? >GLU~A 9 41.94 25.89 97.07 40.85 24.09 96.92 41.39 24.99 97.00 2 0 1000.00 -999 ? >LYS~A 10 40.66 30.56 99.14 35.73 28.29 102.37 38.20 29.42 100.76 2 0 1000.00 -999 ? >LYS~A 11 43.41 32.84 100.55 45.38 32.37 106.53 44.39 32.61 103.54 2 0 1000.00 -999 ? >ASP~A 12 46.54 30.85 97.46 48.17 31.08 96.14 47.36 30.96 96.80 2 0 1000.00 -999 ? >PHE~A 13 40.51 32.34 94.22 38.62 33.44 92.49 39.57 32.89 93.35 3 0 1000.00 -999 ? >VAL~A 14 42.15 36.06 96.30 40.83 36.88 97.87 41.49 36.47 97.09 3 0 1000.00 -999 ? >LYS~A 15 45.92 36.72 96.29 51.78 35.12 98.17 48.85 35.92 97.23 2 0 1000.00 -999 ? >TRP~A 16 46.67 33.87 89.82 43.01 33.63 88.40 44.84 33.75 89.11 3 0 1000.00 -999 ? >PHE~A 17 40.40 38.01 91.74 38.46 39.84 90.89 39.43 38.93 91.31 3 0 1000.00 -999 ? >LEU~A 18 44.00 41.10 94.33 42.38 41.81 95.60 43.19 41.45 94.97 3 0 1000.00 -999 ? >ASN~A 19 48.45 39.42 91.79 49.24 40.08 93.67 48.84 39.75 92.73 2 0 1000.00 -999 ? >ASN~A 20 45.69 38.08 87.54 47.47 36.92 87.77 46.58 37.50 87.65 2 0 1000.00 -999 ? >TYR~A 21 41.54 39.35 86.87 41.78 36.97 85.42 41.66 38.16 86.14 3 0 1000.00 -999 ? >GLN.A 22 42.08 47.71 87.84 43.40 48.35 89.39 42.74 48.03 88.62 2 0 1000.00 -999 ? >LEU.A 23 38.21 45.36 91.59 37.64 43.45 92.51 37.92 44.40 92.05 3 0 1000.00 -999 ? >LYS.A 24 36.12 48.53 89.03 31.74 47.69 84.52 33.93 48.11 86.78 2 0 1000.00 -999 ? >GLN.A 25 33.99 50.86 94.23 31.92 51.36 94.25 32.96 51.11 94.24 2 0 1000.00 -999 ? >ARG~A 26 41.57 53.00 95.18 41.07 56.02 95.27 41.32 54.51 95.23 2 0 1000.00 -999 ? >GLU~A 27 35.04 51.22 97.85 35.83 53.14 97.42 35.44 52.18 97.63 2 0 1000.00 -999 ? >CYH~A 28 36.23 46.05 96.84 34.09 46.67 95.16 35.16 46.36 96.00 2 0 1000.00 -999 ? >VAL~A 29 40.00 45.40 96.81 41.59 46.08 95.42 40.80 45.74 96.12 3 0 1000.00 -999 ? >TRP~A 30 42.04 48.70 99.68 40.69 52.38 99.46 41.36 50.54 99.57 3 0 1000.00 -999 ? >ILE~A 31 35.70 44.27 100.58 34.34 44.42 100.47 35.02 44.34 100.52 3 0 1000.00 -999 ? >LEU~A 32 39.32 41.15 98.27 38.17 39.96 96.82 38.75 40.55 97.55 3 0 1000.00 -999 ? >ASN~A 33 43.10 43.55 101.24 44.13 43.61 99.37 43.62 43.58 100.30 2 0 1000.00 -999 ? >TYR~A 34 38.52 43.23 106.37 37.26 42.97 108.86 37.89 43.10 107.61 3 0 1000.00 -999 ? >LEU~A 35 37.92 38.66 103.22 35.76 38.98 103.34 36.84 38.82 103.28 3 0 1000.00 -999 ? >MET~A 36 42.43 37.64 103.31 44.88 37.47 99.99 43.65 37.55 101.65 2 0 1000.00 -999 ? >SER~A 37 43.86 38.96 106.58 44.69 40.66 108.11 44.28 39.81 107.35 2 0 1000.00 -999 ? >HIS~A 38 40.12 39.47 109.54 40.53 41.44 110.11 40.33 40.46 109.82 3 0 1000.00 -999 ? >ASP.A 39 42.77 32.73 108.88 44.03 33.78 110.24 43.40 33.25 109.56 2 0 1000.00 -999 ? >GLN.A 40 38.87 33.46 112.81 39.90 32.37 114.39 39.38 32.91 113.60 2 0 1000.00 -999 ? >LEU.A 41 36.65 36.40 107.62 35.29 37.55 108.92 35.97 36.98 108.27 3 0 1000.00 -999 ? >MET.A 42 37.81 32.78 105.20 38.93 33.90 102.33 38.37 33.34 103.76 2 0 1000.00 -999 ? >HIS.A 43 37.33 28.64 108.85 38.99 27.69 109.71 38.16 28.16 109.28 3 0 1000.00 -999 ? >LYS.A 44 32.86 31.40 106.37 32.89 31.61 111.82 32.88 31.51 109.09 2 0 1000.00 -999 ? >VAL^A 45 33.77 32.89 102.96 35.16 34.43 102.16 34.46 33.66 102.56 3 0 1000.00 -999 ? >HIS^A 46 30.85 29.57 101.67 30.89 28.50 103.47 30.87 29.04 102.57 3 0 1000.00 -999 ? >PHE^A 47 35.33 32.39 96.35 37.13 34.19 97.50 36.23 33.29 96.92 3 0 1000.00 -999 ? >VAL.A 48 29.69 31.20 94.52 27.93 31.16 95.95 28.81 31.18 95.24 3 0 1000.00 -999 ? >GLU.A 49 28.82 29.70 89.54 28.17 28.01 88.44 28.49 28.85 88.99 2 0 1000.00 -999 ? >HIS~A 50 23.82 32.48 89.79 23.98 31.81 87.81 23.90 32.15 88.80 3 0 1000.00 -999 ? >ALA~A 51 25.26 35.27 95.14 26.52 36.10 94.90 25.89 35.69 95.02 2 0 1000.00 -999 ? >LYS~A 52 22.12 37.51 94.97 19.52 37.39 89.15 20.82 37.45 92.06 2 0 1000.00 -999 ? >TYR~A 53 19.41 33.44 94.34 18.59 33.61 91.67 19.00 33.52 93.01 3 0 1000.00 -999 ? >CYH~A 54 22.37 34.48 99.52 24.34 33.11 98.08 23.35 33.79 98.80 2 0 1000.00 -999 ? >PRO.A 55 22.25 33.52 103.57 21.78 35.44 102.48 22.01 34.48 103.02 3 0 1000.00 -999 ? >ARG^A 56 26.18 38.80 106.36 28.96 39.49 107.46 27.57 39.14 106.91 2 0 1000.00 -999 ? >GLY^A 57 25.86 38.01 99.21 25.96 38.68 99.64 25.91 38.34 99.42 1 0 1000.00 -999 ? >LEU^A 58 30.04 39.88 98.50 31.16 41.40 99.58 30.60 40.64 99.04 3 0 1000.00 -999 ? >VAL^A 59 28.93 40.79 93.97 27.23 40.48 92.59 28.08 40.64 93.28 3 0 1000.00 -999 ? >MET^A 60 32.14 42.36 92.64 33.48 42.43 96.47 32.81 42.39 94.55 2 0 1000.00 -999 ? >SER^A 61 33.35 43.08 89.10 30.99 43.08 88.54 32.17 43.08 88.82 2 0 1000.00 -999 ? >ALA.A 62 36.67 43.63 87.35 37.62 42.52 86.92 37.15 43.08 87.13 2 0 1000.00 -999 ? >ASN.A 63 38.02 47.63 84.92 40.09 47.11 84.58 39.05 47.37 84.75 2 0 1000.00 -999 ? >CYH.A 64 37.08 44.04 81.77 37.67 41.73 83.25 37.38 42.88 82.51 2 0 1000.00 -999 ? >VAL.A 65 33.46 42.81 81.86 32.94 40.70 82.20 33.20 41.76 82.03 3 0 1000.00 -999 ? >LYS.A 66 30.73 45.47 81.96 30.29 50.53 80.59 30.51 48.00 81.28 2 0 1000.00 -999 ? >ASP.A 67 29.19 42.73 85.70 28.57 41.13 84.45 28.88 41.93 85.07 2 0 1000.00 -999 ? >THR.A 68 28.16 46.51 87.94 26.06 46.23 88.40 27.11 46.37 88.17 2 0 1000.00 -999 ? >PRO.A 69 31.06 49.38 89.32 30.57 47.26 89.85 30.81 48.32 89.58 3 0 1000.00 -999 ? >PHE^A 70 30.03 46.74 96.14 29.76 45.75 98.74 29.90 46.24 97.44 3 0 1000.00 -999 ? >HIS^A 71 24.81 45.00 93.32 23.98 46.28 91.87 24.39 45.64 92.59 3 0 1000.00 -999 ? >PHE^A 72 26.48 43.74 101.29 26.65 42.35 103.71 26.56 43.05 102.50 3 0 1000.00 -999 ? >PHE^A 73 22.44 40.81 96.94 22.22 41.74 94.32 22.33 41.28 95.63 3 0 1000.00 -999 ? >LYS^A 74 21.79 41.20 103.04 25.14 42.01 107.34 23.46 41.61 105.19 2 0 1000.00 -999 ? >GLN.A 75 18.76 37.38 105.49 17.59 36.10 106.75 18.18 36.74 106.12 2 0 1000.00 -999 ? >ASN.A 76 15.65 43.09 104.80 14.08 41.88 105.60 14.86 42.49 105.20 2 0 1000.00 -999 ? >VAL.A 77 18.44 45.13 101.68 18.80 46.86 103.02 18.62 45.99 102.35 3 0 1000.00 -999 ? >MET^A 78 20.34 45.28 98.37 17.69 44.69 95.14 19.01 44.99 96.75 2 0 1000.00 -999 ? >THR^A 79 22.88 48.09 98.91 24.23 48.41 100.61 23.55 48.25 99.76 2 0 1000.00 -999 ? >THR.A 80 25.34 49.43 96.32 25.10 50.89 94.71 25.22 50.16 95.52 2 0 1000.00 -999 ? >ASP~A 81 26.91 52.47 99.78 28.35 53.85 100.49 27.63 53.16 100.13 2 0 1000.00 -999 ? >ALA~A 82 30.70 49.58 99.38 31.80 49.43 98.35 31.25 49.51 98.86 2 0 1000.00 -999 ? >GLU~A 83 33.25 53.74 101.40 33.53 55.84 101.45 33.39 54.79 101.42 2 0 1000.00 -999 ? >LYS~A 84 28.76 51.14 104.43 25.37 54.11 106.61 27.07 52.63 105.52 2 0 1000.00 -999 ? >SER~A 85 28.87 47.44 103.48 27.48 47.34 101.49 28.17 47.39 102.49 2 0 1000.00 -999 ? >PHE~A 86 35.09 47.58 104.18 37.67 46.82 104.93 36.38 47.20 104.55 3 0 1000.00 -999 ? >HIS~A 87 30.78 50.82 109.26 30.40 51.36 111.25 30.59 51.09 110.25 3 0 1000.00 -999 ? >ASP~A 88 27.76 46.29 107.27 26.46 44.67 107.67 27.11 45.48 107.47 2 0 1000.00 -999 ? >ILE~A 89 31.36 42.66 106.03 31.98 42.72 105.24 31.67 42.69 105.63 3 0 1000.00 -999 ? >ARG~A 90 35.98 46.54 108.55 38.66 48.02 109.00 37.32 47.28 108.78 2 0 1000.00 -999 ? >LEU~A 91 30.47 45.35 113.18 30.97 47.41 113.79 30.72 46.38 113.49 3 0 1000.00 -999 ? >ASN~A 92 28.02 41.64 110.35 26.41 42.99 110.69 27.22 42.31 110.52 2 0 1000.00 -999 ? >ARG~A 93 34.17 39.76 112.24 37.02 40.44 113.13 35.59 40.10 112.68 2 0 1000.00 -999 ? >ASP.A 94 29.78 35.24 114.01 28.19 36.47 114.67 28.99 35.86 114.34 2 0 1000.00 -999 ? >GLU.A 95 25.45 35.59 109.83 25.44 35.98 111.91 25.45 35.78 110.87 2 0 1000.00 -999 ? >ASP.A 96 28.17 32.00 105.69 28.68 30.27 106.78 28.42 31.13 106.23 2 0 1000.00 -999 ? >ILE^A 97 30.84 36.68 103.45 31.28 38.06 103.82 31.06 37.37 103.63 3 0 1000.00 -999 ? >TYR^A 98 27.23 32.87 100.31 26.47 30.74 101.96 26.85 31.80 101.14 3 0 1000.00 -999 ? >ILE^A 99 32.71 36.66 97.51 33.72 37.45 98.11 33.22 37.06 97.81 3 0 1000.00 -999 ? >GLN^A 100 28.95 37.35 92.24 27.54 37.11 90.66 28.24 37.23 91.45 2 0 1000.00 -999 ? >LEU^A 101 35.08 37.30 91.25 35.46 38.03 93.31 35.27 37.66 92.28 3 0 1000.00 -999 ? >ASN^A 102 31.78 40.01 87.28 29.97 39.32 88.18 30.88 39.66 87.73 2 0 1000.00 -999 ? >PHE.A 103 37.56 37.19 86.86 37.90 34.66 88.01 37.73 35.93 87.44 3 0 1000.00 -999 ? >LYS.A 104 36.66 38.22 81.73 36.41 41.78 77.41 36.53 40.00 79.57 2 0 1000.00 -999 ? >SER~A 105 38.22 34.77 81.54 40.28 34.79 82.85 39.25 34.78 82.20 2 0 1000.00 -999 ? >SER~A 106 36.54 33.27 84.60 34.65 34.70 85.15 35.60 33.98 84.88 2 0 1000.00 -999 ? >PHE~A 107 33.67 28.84 84.09 31.94 28.14 86.15 32.81 28.49 85.12 3 0 1000.00 -999 ? >GLN~A 108 41.37 30.43 80.42 42.49 32.23 80.14 41.93 31.33 80.28 2 0 1000.00 -999 ? >ASN~A 109 41.35 30.72 85.76 41.54 32.40 84.46 41.45 31.56 85.11 2 0 1000.00 -999 ? >ALA~A 110 41.10 26.02 86.82 42.14 24.93 86.55 41.62 25.48 86.69 2 0 1000.00 -999 ? >ASN~A 111 43.00 28.35 90.67 43.26 30.16 89.53 43.13 29.26 90.10 2 0 1000.00 -999 ? >TYR~A 112 36.95 31.39 89.02 34.31 32.30 88.94 35.63 31.85 88.98 3 0 1000.00 -999 ? >VAL~A 113 36.54 26.73 89.11 36.00 26.06 87.09 36.27 26.39 88.10 3 0 1000.00 -999 ? >ALA~A 114 38.19 24.76 91.95 39.68 24.43 92.05 38.93 24.60 92.00 2 0 1000.00 -999 ? >VAL~A 115 37.39 27.50 94.50 37.96 29.60 94.98 37.68 28.55 94.74 3 0 1000.00 -999 ? >LEU~A 116 33.17 27.55 92.04 32.62 29.19 90.70 32.89 28.37 91.37 3 0 1000.00 -999 ? >GLU.A 117 32.74 26.39 97.86 32.91 27.05 99.86 32.83 26.72 98.86 2 0 1000.00 -999 ? >GLU.A 118 26.78 22.38 95.17 24.73 22.47 94.62 25.76 22.43 94.90 2 0 1000.00 -999 ? >ASN.A 119 25.20 28.88 95.42 23.71 30.37 95.85 24.46 29.63 95.64 2 0 1000.00 -999 ? >PRO.A 120 23.67 26.45 100.21 22.83 26.61 98.11 23.25 26.53 99.16 3 0 1000.00 -999 ? >TYR.A 121 20.84 30.40 99.75 21.81 30.06 102.35 21.32 30.23 101.05 3 0 1000.00 -999 ? >LEU.A 122 20.00 27.72 93.11 20.75 29.19 91.70 20.37 28.45 92.40 3 0 1000.00 -999 ? >PRO.A 123 15.32 29.90 92.88 16.06 28.01 93.84 15.69 28.96 93.36 3 0 1000.00 -999 ? >LYS.A 124 13.87 26.46 90.83 14.45 31.31 88.97 14.16 28.89 89.90 2 0 1000.00 -999 ? >HIS.A 125 17.36 29.42 88.78 18.95 30.74 88.37 18.16 30.08 88.57 3 0 1000.00 -999 ? >ILE.A 126 18.35 23.89 90.54 18.91 23.36 91.75 18.63 23.63 91.15 3 0 1000.00 -999 ? >GLU.A 127 14.86 23.56 86.46 13.45 23.98 84.95 14.15 23.77 85.71 2 0 1000.00 -999 ? >VAL.A 128 20.53 20.98 86.29 21.97 21.99 84.95 21.25 21.48 85.62 3 0 1000.00 -999 ? >ASN.A 129 20.13 17.46 89.67 19.77 15.50 88.83 19.95 16.48 89.25 2 0 1000.00 -999 ? >GLU.A 130 24.00 15.49 86.06 25.21 14.17 87.20 24.60 14.83 86.63 2 0 1000.00 -999 ? >LYS.A 131 25.74 21.39 87.64 25.17 24.77 91.67 25.46 23.08 89.66 2 0 1000.00 -999 ? >ASP.A 132 28.41 18.61 90.54 30.23 17.83 91.30 29.32 18.22 90.92 2 0 1000.00 -999 ? >ARG.A 133 29.16 14.15 85.73 29.83 11.25 84.99 29.49 12.70 85.36 2 0 1000.00 -999 ? >LEU.A 134 27.52 20.85 82.90 25.40 21.28 82.77 26.46 21.07 82.84 3 0 1000.00 -999 ? >LEU~A 135 31.38 23.65 86.92 30.77 24.47 88.85 31.08 24.06 87.88 3 0 1000.00 -999 ? >ALA~A 136 33.23 21.38 83.56 33.26 19.87 83.75 33.25 20.62 83.66 2 0 1000.00 -999 ? >GLU~A 137 29.27 22.19 78.79 27.29 22.90 79.06 28.28 22.54 78.93 2 0 1000.00 -999 ? >ARG~A 138 28.38 26.72 81.87 28.83 28.80 84.11 28.61 27.76 82.99 2 0 1000.00 -999 ? >PHE~A 139 37.23 24.51 83.21 40.00 24.33 83.58 38.62 24.42 83.39 3 0 1000.00 -999 ? >LEU~A 140 35.59 21.93 78.44 35.86 20.44 76.87 35.73 21.18 77.65 3 0 1000.00 -999 ? >GLU~A 141 32.40 26.63 75.26 30.42 27.30 75.62 31.41 26.96 75.44 2 0 1000.00 -999 ? >GLU~A 142 34.63 30.14 79.09 34.82 31.82 77.81 34.73 30.98 78.45 2 0 1000.00 -999 ? >SER~A 143 39.72 27.13 78.04 39.84 26.31 80.33 39.78 26.72 79.19 2 0 1000.00 -999 ? >VAL~A 144 39.43 25.83 74.46 38.67 23.99 73.47 39.05 24.91 73.96 3 0 1000.00 -999 ? >PHE~A 145 36.28 31.10 73.07 35.63 33.52 71.83 35.96 32.31 72.45 3 0 1000.00 -999 ? >SER~A 146 40.55 31.30 74.90 41.04 30.23 77.02 40.79 30.76 75.96 2 0 1000.00 -999 ? >PHE~A 147 45.08 27.14 73.65 47.66 26.33 72.91 46.37 26.73 73.28 3 0 1000.00 -999 ? >ARG~A 148 40.28 26.39 68.36 38.10 24.23 68.55 39.19 25.31 68.45 2 0 1000.00 -999 ? >ARG~A 149 39.64 35.60 72.05 40.77 36.59 74.73 40.20 36.09 73.39 2 0 1000.00 -999 ? >GLU~A 150 45.17 33.48 74.67 46.52 34.93 75.41 45.84 34.20 75.04 2 0 1000.00 -999 ? >ARG~A 151 48.67 28.74 69.29 50.83 30.01 67.51 49.75 29.37 68.40 2 0 1000.00 -999 ? >LEU~A 152 43.49 33.22 66.42 42.92 31.82 64.79 43.21 32.52 65.60 3 0 1000.00 -999 ? >LEU~A 153 45.44 37.10 69.34 43.71 38.39 69.69 44.57 37.75 69.51 3 0 1000.00 -999 ? >LYS~A 154 49.63 35.39 68.27 53.91 33.70 71.41 51.77 34.54 69.84 2 0 1000.00 -999 ? >GLN~A 155 49.28 31.91 64.82 48.74 30.14 63.72 49.01 31.03 64.27 2 0 1000.00 -999 ? >ILE~A 156 46.85 38.28 63.89 45.53 38.59 63.93 46.19 38.44 63.91 3 0 1000.00 -999 ? >ASP~A 157 51.16 39.78 66.50 49.47 40.62 67.48 50.32 40.20 66.99 2 0 1000.00 -999 ? >GLU~A 158 54.01 35.40 65.18 53.52 33.39 65.65 53.77 34.39 65.41 2 0 1000.00 -999 ? >ALA~A 159 51.91 37.76 60.04 50.50 37.32 59.69 51.21 37.54 59.87 2 0 1000.00 -999 ? >LEU~A 160 51.23 42.33 61.56 49.24 43.25 61.54 50.23 42.79 61.55 3 0 1000.00 -999 ? >ASP~A 161 56.19 40.22 62.51 58.31 40.12 62.61 57.25 40.17 62.56 2 0 1000.00 -999 ? >LYS~A 162 56.49 39.30 58.16 56.85 33.98 61.39 56.67 36.64 59.77 2 0 1000.00 -999 ? >GLN.A 163 55.97 43.27 55.84 56.70 44.94 54.72 56.34 44.11 55.28 2 0 1000.00 -999 ? >ASP~A 164 52.34 36.98 55.83 51.96 35.31 54.60 52.15 36.15 55.22 2 0 1000.00 -999 ? >LYS~A 165 48.96 40.07 53.92 45.56 43.85 51.80 47.26 41.96 52.86 2 0 1000.00 -999 ? >GLU~A 166 48.75 35.20 51.07 47.80 33.35 50.65 48.28 34.27 50.86 2 0 1000.00 -999 ? >ALA~A 167 47.61 35.24 56.52 48.84 34.74 57.28 48.23 34.99 56.90 2 0 1000.00 -999 ? >PHE~A 168 46.22 41.00 58.58 44.86 43.03 59.97 45.54 42.01 59.28 3 0 1000.00 -999 ? >HIS~A 169 43.06 40.37 54.74 43.10 42.46 54.62 43.08 41.41 54.68 3 0 1000.00 -999 ? >ARG~A 170 45.03 32.09 54.49 47.81 31.71 55.79 46.42 31.90 55.14 2 0 1000.00 -999 ? >LEU~A 171 44.84 34.81 61.09 46.63 33.53 61.04 45.74 34.17 61.06 3 0 1000.00 -999 ? >THR~A 172 41.34 37.86 61.07 41.70 40.00 60.79 41.52 38.93 60.93 2 0 1000.00 -999 ? >ALA~A 173 38.36 36.18 59.38 38.20 36.03 57.87 38.28 36.11 58.62 2 0 1000.00 -999 ? >GLU~A 174 40.96 31.31 60.01 40.56 29.27 60.45 40.76 30.29 60.23 2 0 1000.00 -999 ? >LEU~A 175 40.04 35.48 65.19 40.14 37.49 66.04 40.09 36.49 65.61 3 0 1000.00 -999 ? >LYS~A 176 35.74 36.31 63.55 36.66 41.10 59.49 36.20 38.70 61.52 2 0 1000.00 -999 ? >MET~A 177 34.17 32.85 63.12 34.92 29.12 61.40 34.55 30.98 62.26 2 0 1000.00 -999 ? >LEU~A 178 36.53 31.84 67.26 37.95 30.22 67.69 37.24 31.03 67.47 3 0 1000.00 -999 ? >GLU.A 179 32.62 36.77 69.56 32.68 36.91 71.68 32.65 36.84 70.62 2 0 1000.00 -999 ? >GLY~A 180 30.03 33.63 66.70 30.32 33.15 67.28 30.18 33.39 66.99 1 0 1000.00 -999 ? >HIS~A 181 30.13 29.27 66.70 30.67 29.49 64.68 30.40 29.38 65.69 3 0 1000.00 -999 ? >HIS~A 182 32.09 33.36 73.63 32.72 33.84 75.57 32.40 33.60 74.60 3 0 1000.00 -999 ? >THR.B 3 66.39 66.62 70.67 67.89 65.05 70.93 67.14 65.83 70.80 2 0 1000.00 -999 ? >PRO.B 4 66.60 66.38 66.01 65.26 66.03 67.82 65.93 66.20 66.91 3 0 1000.00 -999 ? >VAL.B 5 63.28 62.19 67.27 61.35 61.91 68.35 62.32 62.05 67.81 3 0 1000.00 -999 ? >SER~B 6 64.72 59.01 65.67 65.93 57.90 67.47 65.32 58.46 66.57 2 0 1000.00 -999 ? >VAL~B 7 63.03 55.99 64.02 63.06 55.55 61.85 63.05 55.77 62.93 3 0 1000.00 -999 ? >ASN~B 8 65.62 52.91 66.75 66.83 52.99 64.99 66.23 52.95 65.87 2 0 1000.00 -999 ? >GLU~B 9 63.11 57.55 70.93 63.79 59.55 71.11 63.45 58.55 71.02 2 0 1000.00 -999 ? >LYS~B 10 59.48 55.48 67.79 59.29 60.23 63.61 59.38 57.86 65.70 2 0 1000.00 -999 ? >LYS~B 11 59.52 51.73 66.97 62.91 49.69 62.07 61.21 50.71 64.52 2 0 1000.00 -999 ? >ASP~B 12 61.90 51.03 71.11 62.31 49.89 72.84 62.11 50.46 71.98 2 0 1000.00 -999 ? >PHE~B 13 56.46 55.23 72.14 54.01 56.30 72.99 55.23 55.76 72.57 3 0 1000.00 -999 ? >VAL~B 14 55.11 51.35 70.03 54.22 51.67 68.03 54.67 51.51 69.03 3 0 1000.00 -999 ? >LYS~B 15 56.54 47.99 71.20 61.18 44.05 72.64 58.86 46.02 71.92 2 0 1000.00 -999 ? >TRP~B 16 56.81 51.94 75.31 55.49 52.38 78.99 56.15 52.16 77.15 3 0 1000.00 -999 ? >PHE~B 17 51.35 52.05 73.73 48.65 52.79 73.58 50.00 52.42 73.65 3 0 1000.00 -999 ? >LEU~B 18 51.49 46.92 71.81 50.59 47.70 69.99 51.04 47.31 70.90 3 0 1000.00 -999 ? >ASN~B 19 54.72 44.94 75.64 55.16 43.70 73.95 54.94 44.32 74.79 2 0 1000.00 -999 ? >ASN~B 20 53.00 48.39 79.25 54.89 47.59 79.83 53.95 47.99 79.54 2 0 1000.00 -999 ? >TYR~B 21 49.50 51.09 78.44 50.99 52.57 80.28 50.25 51.83 79.36 3 0 1000.00 -999 ? >GLN.B 22 43.53 45.47 76.59 44.20 43.81 75.44 43.86 44.64 76.02 2 0 1000.00 -999 ? >LEU.B 23 44.22 49.37 72.26 45.69 50.80 71.48 44.95 50.09 71.87 3 0 1000.00 -999 ? >LYS.B 24 39.90 49.52 73.59 36.94 54.13 76.81 38.42 51.82 75.20 2 0 1000.00 -999 ? >GLN.B 25 38.50 49.24 67.69 37.03 50.63 67.03 37.76 49.93 67.36 2 0 1000.00 -999 ? >ARG~B 26 40.81 41.73 68.74 38.24 40.38 67.74 39.52 41.05 68.24 2 0 1000.00 -999 ? >GLU~B 27 39.66 47.52 64.54 38.49 45.77 64.81 39.07 46.65 64.67 2 0 1000.00 -999 ? >CYH~B 28 44.15 49.81 66.52 42.04 51.43 67.34 43.10 50.62 66.93 2 0 1000.00 -999 ? >VAL~B 29 46.68 47.23 67.74 46.61 45.69 69.34 46.65 46.46 68.54 3 0 1000.00 -999 ? >TRP~B 30 45.89 43.32 65.19 42.17 42.32 64.39 44.03 42.82 64.79 3 0 1000.00 -999 ? >ILE~B 31 46.23 50.77 63.08 45.32 51.74 62.76 45.78 51.25 62.92 3 0 1000.00 -999 ? >LEU~B 32 50.12 50.17 66.71 50.12 51.98 67.94 50.12 51.07 67.32 3 0 1000.00 -999 ? >ASN~B 33 50.99 45.31 64.61 50.97 44.69 66.65 50.98 45.00 65.63 2 0 1000.00 -999 ? >TYR~B 34 50.27 48.48 58.56 50.54 49.46 55.96 50.41 48.97 57.26 3 0 1000.00 -999 ? >LEU~B 35 52.56 52.05 62.05 51.20 53.57 61.25 51.88 52.81 61.65 3 0 1000.00 -999 ? >MET~B 36 55.97 49.17 63.32 56.62 47.84 67.19 56.30 48.51 65.26 2 0 1000.00 -999 ? >SER~B 37 56.58 46.75 60.44 56.05 44.93 58.91 56.31 45.84 59.68 2 0 1000.00 -999 ? >HIS~B 38 55.05 49.03 56.55 53.91 47.42 55.83 54.48 48.22 56.19 3 0 1000.00 -999 ? >ASP.B 39 61.51 51.13 59.16 62.02 49.56 57.83 61.77 50.35 58.49 2 0 1000.00 -999 ? >GLN.B 40 59.89 53.97 53.34 61.85 53.15 53.09 60.87 53.56 53.22 2 0 1000.00 -999 ? >LEU.B 41 54.98 53.95 57.86 53.71 54.13 56.05 54.34 54.04 56.96 3 0 1000.00 -999 ? >MET.B 42 57.90 55.52 60.95 56.74 54.35 63.81 57.32 54.94 62.38 2 0 1000.00 -999 ? >HIS.B 43 61.83 57.78 57.86 63.68 56.82 57.62 62.75 57.30 57.74 3 0 1000.00 -999 ? >LYS.B 44 56.52 60.10 58.71 58.10 58.98 53.67 57.31 59.54 56.19 2 0 1000.00 -999 ? >VAL^B 45 54.77 58.95 61.92 54.04 57.03 62.75 54.41 57.99 62.33 3 0 1000.00 -999 ? >HIS^B 46 55.52 63.54 62.96 56.97 63.91 61.48 56.24 63.72 62.22 3 0 1000.00 -999 ? >PHE^B 47 54.22 58.94 68.64 54.12 56.31 67.71 54.17 57.63 68.18 3 0 1000.00 -999 ? >VAL.B 48 51.43 64.26 69.16 50.79 65.53 67.44 51.11 64.89 68.30 3 0 1000.00 -999 ? >GLU.B 49 50.51 65.93 74.14 50.37 67.04 75.93 50.44 66.48 75.03 2 0 1000.00 -999 ? >HIS~B 50 45.54 68.04 72.00 45.67 68.46 74.05 45.61 68.25 73.03 3 0 1000.00 -999 ? >ALA~B 51 46.01 64.97 66.60 46.38 63.50 66.44 46.20 64.23 66.52 2 0 1000.00 -999 ? >LYS~B 52 42.55 66.25 65.56 38.85 69.29 69.76 40.70 67.77 67.66 2 0 1000.00 -999 ? >TYR~B 53 44.14 70.88 66.27 42.73 71.75 68.52 43.44 71.31 67.39 3 0 1000.00 -999 ? >CYH~B 54 46.27 67.43 61.74 48.05 66.88 63.83 47.16 67.16 62.78 2 0 1000.00 -999 ? >PRO.B 55 47.97 68.06 57.85 46.18 66.91 58.62 47.08 67.48 58.24 3 0 1000.00 -999 ? >ARG.B 56 47.15 60.92 55.67 48.12 58.02 55.42 47.63 59.47 55.55 2 0 1000.00 -999 ? >GLY^B 57 45.47 62.58 62.50 45.13 62.05 62.01 45.29 62.32 62.25 1 0 1000.00 -999 ? >LEU^B 58 46.19 58.15 63.90 45.98 56.18 63.01 46.08 57.16 63.45 3 0 1000.00 -999 ? >VAL^B 59 43.52 59.07 67.69 42.46 60.85 68.46 42.99 59.96 68.08 3 0 1000.00 -999 ? >MET^B 60 43.59 55.90 69.82 45.48 54.41 66.65 44.53 55.16 68.23 2 0 1000.00 -999 ? >SER^B 61 42.70 55.01 73.42 41.29 56.99 73.32 41.99 56.00 73.37 2 0 1000.00 -999 ? >ALA.B 62 43.53 52.33 75.98 44.79 52.34 76.84 44.16 52.34 76.41 2 0 1000.00 -999 ? >ASN.B 63 40.57 49.13 78.03 41.91 47.87 79.16 41.24 48.50 78.59 2 0 1000.00 -999 ? >CYH.B 64 41.83 52.54 81.37 44.45 53.08 80.50 43.14 52.81 80.93 2 0 1000.00 -999 ? >VAL.B 65 40.89 56.16 80.61 42.37 57.77 80.46 41.63 56.97 80.53 3 0 1000.00 -999 ? >LYS.B 66 37.33 56.69 79.34 32.58 54.35 79.55 34.96 55.52 79.44 2 0 1000.00 -999 ? >ASP.B 67 39.80 58.88 75.75 40.40 60.53 76.95 40.10 59.71 76.35 2 0 1000.00 -999 ? >THR.B 68 36.78 56.99 72.93 35.65 58.60 72.08 36.22 57.80 72.51 2 0 1000.00 -999 ? >PRO.B 69 36.53 52.84 71.76 38.06 54.46 71.52 37.30 53.65 71.64 3 0 1000.00 -999 ? >PHE^B 70 40.12 54.36 65.40 41.42 54.96 63.01 40.77 54.66 64.20 3 0 1000.00 -999 ? >HIS^B 71 37.69 59.75 66.72 35.91 59.69 67.82 36.80 59.72 67.27 3 0 1000.00 -999 ? >PHE^B 72 41.99 58.34 59.91 43.75 58.83 57.80 42.87 58.59 58.85 3 0 1000.00 -999 ? >PHE^B 73 40.62 63.80 62.97 39.07 63.68 65.26 39.84 63.74 64.11 3 0 1000.00 -999 ? >LYS.B 74 41.74 63.30 57.04 44.31 59.74 54.00 43.03 61.52 55.52 2 0 1000.00 -999 ? >GLN.B 75 43.94 67.63 54.53 44.67 69.20 53.27 44.30 68.41 53.90 2 0 1000.00 -999 ? >ASN.B 76 37.47 66.90 53.58 37.95 68.68 52.49 37.71 67.79 53.04 2 0 1000.00 -999 ? >VAL.B 77 36.69 63.70 56.66 35.90 62.26 55.18 36.30 62.98 55.92 3 0 1000.00 -999 ? >MET^B 78 36.69 62.58 60.28 34.58 65.69 62.03 35.63 64.14 61.15 2 0 1000.00 -999 ? >THR^B 79 36.16 58.81 60.49 37.25 57.41 59.19 36.71 58.11 59.84 2 0 1000.00 -999 ? >THR.B 80 35.60 56.38 63.35 33.87 55.86 64.54 34.73 56.12 63.94 2 0 1000.00 -999 ? >ASP~B 81 34.89 52.98 59.99 34.53 50.94 59.58 34.71 51.96 59.78 2 0 1000.00 -999 ? >ALA~B 82 39.09 51.70 61.98 39.47 51.01 63.27 39.28 51.35 62.63 2 0 1000.00 -999 ? >GLU~B 83 37.70 47.04 60.07 36.08 45.70 59.83 36.89 46.37 59.95 2 0 1000.00 -999 ? >LYS~B 84 38.25 51.75 56.44 34.79 52.20 52.77 36.52 51.98 54.60 2 0 1000.00 -999 ? >SER~B 85 40.89 53.98 58.06 39.57 55.37 59.55 40.23 54.68 58.81 2 0 1000.00 -999 ? >PHE~B 86 44.19 48.78 59.04 46.42 47.22 59.68 45.31 48.00 59.36 3 0 1000.00 -999 ? >HIS~B 87 41.05 49.77 52.42 41.04 49.54 50.33 41.05 49.66 51.38 3 0 1000.00 -999 ? >ASP~B 88 42.29 55.21 54.67 42.89 57.17 54.11 42.59 56.19 54.39 2 0 1000.00 -999 ? >ILE~B 89 46.81 54.53 56.96 46.69 54.46 58.31 46.75 54.49 57.64 3 0 1000.00 -999 ? >ARG~B 90 47.15 48.34 55.30 47.80 45.40 54.76 47.48 46.87 55.03 2 0 1000.00 -999 ? >LEU~B 91 46.09 52.73 49.46 45.02 50.90 48.96 45.56 51.81 49.21 3 0 1000.00 -999 ? >ASN~B 92 46.55 57.25 52.18 44.89 57.81 50.96 45.72 57.53 51.57 2 0 1000.00 -999 ? >ARG.B 93 51.63 52.85 52.60 53.59 50.72 51.60 52.61 51.79 52.10 2 0 1000.00 -999 ? >ASP.B 94 54.14 59.76 50.53 55.33 61.51 50.45 54.74 60.63 50.49 2 0 1000.00 -999 ? >GLU.B 95 49.79 63.41 52.50 50.08 62.57 50.58 49.93 62.99 51.54 2 0 1000.00 -999 ? >ASP.B 96 53.32 63.34 57.83 55.06 63.97 56.81 54.19 63.65 57.32 2 0 1000.00 -999 ? >ILE^B 97 50.44 58.93 60.09 49.74 57.69 59.69 50.09 58.31 59.89 3 0 1000.00 -999 ? >TYR^B 98 50.49 64.49 62.65 52.16 66.25 61.26 51.32 65.37 61.96 3 0 1000.00 -999 ? >ILE^B 99 49.79 58.24 66.27 49.81 56.83 65.90 49.80 57.53 66.08 3 0 1000.00 -999 ? >GLN^B 100 45.66 61.62 69.73 44.45 62.79 71.04 45.06 62.20 70.38 2 0 1000.00 -999 ? >LEU^B 101 48.67 56.77 72.74 49.15 55.93 70.74 48.91 56.35 71.74 3 0 1000.00 -999 ? >ASN^B 102 43.75 58.33 75.35 43.61 60.06 74.10 43.68 59.20 74.72 2 0 1000.00 -999 ? >PHE.B 103 48.95 55.48 77.66 51.38 56.69 76.99 50.17 56.09 77.32 3 0 1000.00 -999 ? >LYS.B 104 46.21 56.13 82.24 42.17 54.71 85.84 44.19 55.42 84.04 2 0 1000.00 -999 ? >SER.B 105 49.66 57.27 83.37 51.13 55.53 82.51 50.40 56.40 82.94 2 0 1000.00 -999 ? >SER.B 106 50.73 59.06 80.14 48.72 59.49 78.83 49.72 59.27 79.49 2 0 1000.00 -999 ? >PHE.B 107 52.68 64.01 80.49 52.80 65.54 78.14 52.74 64.77 79.32 3 0 1000.00 -999 ? >GLN.B 108 54.18 57.53 86.07 53.46 55.53 86.30 53.82 56.53 86.19 2 0 1000.00 -999 ? >ASN~B 109 55.72 56.55 80.51 54.22 55.48 81.57 54.97 56.02 81.04 2 0 1000.00 -999 ? >ALA~B 110 59.65 59.33 80.20 61.01 59.09 80.85 60.33 59.21 80.53 2 0 1000.00 -999 ? >ASN~B 111 60.06 56.01 76.72 58.41 54.85 77.47 59.23 55.43 77.09 2 0 1000.00 -999 ? >TYR~B 112 53.81 59.22 76.25 51.61 60.77 75.48 52.71 59.99 75.86 3 0 1000.00 -999 ? >VAL~B 113 57.30 62.30 76.81 57.13 63.40 78.73 57.21 62.85 77.77 3 0 1000.00 -999 ? >ALA~B 114 60.54 61.83 74.83 61.66 60.86 75.21 61.10 61.34 75.02 2 0 1000.00 -999 ? >VAL~B 115 58.71 60.50 71.75 57.49 58.76 71.09 58.10 59.63 71.42 3 0 1000.00 -999 ? >LEU~B 116 55.64 64.12 72.90 53.64 63.72 73.71 54.64 63.92 73.31 3 0 1000.00 -999 ? >GLU.B 117 57.96 64.45 67.39 57.98 63.57 65.46 57.97 64.01 66.42 2 0 1000.00 -999 ? >GLU.B 118 56.99 71.86 69.13 55.73 73.56 68.96 56.36 72.71 69.04 2 0 1000.00 -999 ? >ASN.B 119 51.21 68.97 67.14 49.31 69.69 66.43 50.26 69.33 66.78 2 0 1000.00 -999 ? >PRO.B 120 53.56 71.40 62.75 52.41 72.14 64.55 52.99 71.77 63.65 3 0 1000.00 -999 ? >TYR.B 121 48.79 71.09 61.91 50.30 70.18 59.74 49.55 70.64 60.82 3 0 1000.00 -999 ? >LEU.B 122 48.70 73.88 68.51 47.42 73.06 70.13 48.06 73.47 69.32 3 0 1000.00 -999 ? >PRO.B 123 43.94 75.89 68.06 45.94 76.60 67.26 44.94 76.25 67.66 3 0 1000.00 -999 ? >LYS.B 124 45.59 79.90 69.90 40.73 80.65 71.80 43.16 80.28 70.85 2 0 1000.00 -999 ? >HIS.B 125 44.71 76.96 73.81 42.78 77.39 74.51 43.75 77.18 74.16 3 0 1000.00 -999 ? >ASN.B 129 56.72 80.98 73.87 58.71 81.64 74.22 57.72 81.31 74.05 2 0 1000.00 -999 ? >GLU.B 130 59.91 79.19 77.79 61.44 77.86 77.15 60.67 78.52 77.47 2 0 1000.00 -999 ? >LYS.B 131 55.40 74.95 76.51 49.87 73.85 76.35 52.63 74.40 76.43 2 0 1000.00 -999 ? >ASP.B 132 59.65 73.40 74.86 61.28 72.05 74.78 60.46 72.72 74.82 2 0 1000.00 -999 ? >ARG~B 133 62.30 75.35 80.93 65.32 75.44 81.54 63.81 75.40 81.24 2 0 1000.00 -999 ? >LEU~B 134 54.94 73.49 81.04 53.23 74.01 79.77 54.08 73.75 80.41 3 0 1000.00 -999 ? >LEU~B 135 56.86 69.00 77.77 55.20 68.30 76.48 56.03 68.65 77.13 3 0 1000.00 -999 ? >ALA~B 136 59.10 68.33 81.64 60.49 68.95 81.61 59.79 68.64 81.62 2 0 1000.00 -999 ? >GLU~B 137 57.90 72.34 84.75 57.26 74.34 84.96 57.58 73.34 84.86 2 0 1000.00 -999 ? >ARG~B 138 52.07 69.09 81.11 50.73 68.35 78.45 51.40 68.72 79.78 2 0 1000.00 -999 ? >PHE~B 139 58.22 63.25 83.10 59.51 60.82 83.61 58.87 62.04 83.35 3 0 1000.00 -999 ? >LEU~B 140 58.07 66.90 87.73 59.58 67.05 89.33 58.83 66.97 88.53 3 0 1000.00 -999 ? >GLU~B 141 52.71 68.64 88.75 51.39 70.04 87.86 52.05 69.34 88.30 2 0 1000.00 -999 ? >GLU~B 142 50.86 63.28 85.15 49.10 62.33 85.87 49.98 62.80 85.51 2 0 1000.00 -999 ? >SER~B 143 55.28 60.85 88.41 56.72 60.65 86.46 56.00 60.75 87.43 2 0 1000.00 -999 ? >VAL~B 144 55.18 62.51 91.86 55.84 64.43 92.77 55.51 63.47 92.32 3 0 1000.00 -999 ? >PHE~B 145 48.97 62.08 91.36 46.41 60.97 91.61 47.69 61.52 91.49 3 0 1000.00 -999 ? >SER~B 146 51.54 58.41 90.81 51.63 56.63 89.15 51.59 57.52 89.98 2 0 1000.00 -999 ? >PHE~B 147 56.57 57.58 94.47 58.09 56.58 96.60 57.33 57.08 95.53 3 0 1000.00 -999 ? >ARG~B 148 52.94 62.68 96.94 54.13 65.51 97.16 53.54 64.10 97.05 2 0 1000.00 -999 ? >ARG~B 149 46.36 57.17 92.35 47.20 55.27 90.07 46.78 56.22 91.21 2 0 1000.00 -999 ? >GLU~B 150 51.71 53.22 92.16 51.28 51.18 91.83 51.50 52.20 92.00 2 0 1000.00 -999 ? >ARG~B 151 55.86 55.81 99.65 57.54 54.56 101.92 56.70 55.19 100.78 2 0 1000.00 -999 ? >LEU~B 152 48.62 56.33 99.50 49.11 57.76 101.12 48.86 57.05 100.31 3 0 1000.00 -999 ? >LEU~B 153 47.58 51.88 96.68 45.83 52.31 95.45 46.70 52.09 96.07 3 0 1000.00 -999 ? >LYS~B 154 50.73 49.85 99.34 55.51 47.03 98.49 53.12 48.44 98.92 2 0 1000.00 -999 ? >GLN~B 155 52.21 53.07 102.94 52.46 55.15 103.39 52.33 54.11 103.17 2 0 1000.00 -999 ? >ILE~B 156 45.65 51.16 101.94 44.55 51.90 101.50 45.10 51.53 101.72 3 0 1000.00 -999 ? >ASP~B 157 47.61 46.39 100.73 46.21 46.73 99.18 46.91 46.56 99.96 2 0 1000.00 -999 ? >GLU~B 158 52.18 47.12 103.85 53.72 48.57 103.66 52.95 47.84 103.76 2 0 1000.00 -999 ? >ALA~B 159 47.42 48.24 107.33 46.90 49.67 107.26 47.16 48.95 107.29 2 0 1000.00 -999 ? >LEU~B 160 44.13 45.64 104.86 42.38 46.68 104.05 43.25 46.16 104.46 3 0 1000.00 -999 ? >ASP~B 161 48.65 42.83 105.84 49.90 41.22 106.43 49.28 42.02 106.13 2 0 1000.00 -999 ? >LYS~B 162 48.42 44.11 110.12 51.40 48.46 113.65 49.91 46.29 111.88 2 0 1000.00 -999 ? >GLN~B 163 43.71 42.59 111.01 43.52 40.74 112.06 43.62 41.66 111.53 2 0 1000.00 -999 ? >ASP~B 164 46.76 49.15 111.75 47.32 50.59 113.21 47.04 49.87 112.48 2 0 1000.00 -999 ? >LYS~B 165 41.93 50.19 111.60 36.44 48.84 112.25 39.19 49.51 111.93 2 0 1000.00 -999 ? >GLU~B 166 43.21 53.99 115.28 44.22 55.05 116.80 43.71 54.52 116.04 2 0 1000.00 -999 ? >ALA~B 167 45.93 53.43 110.00 47.13 52.49 109.99 46.53 52.96 109.99 2 0 1000.00 -999 ? >PHE~B 168 41.53 50.90 106.29 39.86 50.62 104.07 40.70 50.76 105.18 3 0 1000.00 -999 ? >HIS~B 169 39.05 54.35 109.12 37.50 52.96 108.95 38.27 53.65 109.04 3 0 1000.00 -999 ? >ARG~B 170 47.02 58.39 110.59 49.14 56.43 109.50 48.08 57.41 110.04 2 0 1000.00 -999 ? >LEU~B 171 46.52 55.20 104.59 48.48 54.59 105.38 47.50 54.89 104.98 3 0 1000.00 -999 ? >THR~B 172 42.24 56.20 103.07 40.69 54.65 103.05 41.47 55.43 103.06 2 0 1000.00 -999 ? >ALA~B 173 41.46 59.80 104.10 41.12 60.27 105.51 41.29 60.04 104.80 2 0 1000.00 -999 ? >GLU~B 174 47.06 60.95 104.53 49.14 60.56 104.49 48.10 60.75 104.51 2 0 1000.00 -999 ? >LEU~B 175 44.63 57.82 99.17 43.58 56.61 97.71 44.10 57.21 98.44 3 0 1000.00 -999 ? >LYS~B 176 41.16 60.73 99.04 37.03 58.97 103.04 39.09 59.85 101.04 2 0 1000.00 -999 ? >MET~B 177 42.69 64.19 99.57 43.01 66.56 102.94 42.85 65.37 101.25 2 0 1000.00 -999 ? >LEU~B 178 46.67 62.12 97.75 48.56 62.40 96.61 47.62 62.26 97.18 3 0 1000.00 -999 ? >GLU~B 179 43.71 59.88 94.09 42.54 58.13 93.95 43.12 59.01 94.02 2 0 1000.00 -999 ? >GLY~B 180 41.13 65.22 95.02 41.94 65.32 95.03 41.53 65.27 95.03 1 0 1000.00 -999 ? >HIS.B 181 44.44 68.65 96.83 43.93 69.85 98.48 44.18 69.25 97.65 3 0 1000.00 -999 ? >HIS.B 182 46.30 64.56 89.99 46.47 63.28 88.33 46.39 63.92 89.16 3 0 1000.00 -999 ? >PRO.C 4 26.17 23.29 128.30 27.04 25.11 129.32 26.60 24.20 128.81 3 0 1000.00 -999 ? >VAL.C 5 30.92 25.17 127.49 32.65 23.95 128.13 31.79 24.56 127.81 3 0 1000.00 -999 ? >SER~C 6 31.38 27.57 124.54 31.92 29.68 125.65 31.65 28.63 125.09 2 0 1000.00 -999 ? >VAL~C 7 33.65 27.75 121.46 32.99 27.54 119.35 33.32 27.64 120.40 3 0 1000.00 -999 ? >ASN~C 8 34.90 32.30 122.58 33.35 32.66 121.16 34.13 32.48 121.87 2 0 1000.00 -999 ? >GLU~C 9 35.25 28.75 128.22 33.53 28.17 129.31 34.39 28.46 128.77 2 0 1000.00 -999 ? >LYS~C 10 37.85 26.39 124.25 33.17 22.36 122.95 35.51 24.37 123.60 2 0 1000.00 -999 ? >LYS~C 11 39.76 28.49 121.68 36.95 30.93 116.59 38.36 29.71 119.13 2 0 1000.00 -999 ? >ASP~C 12 40.42 31.88 125.05 41.62 33.44 125.83 41.02 32.66 125.44 2 0 1000.00 -999 ? >PHE~C 13 41.84 25.59 127.69 43.14 23.40 128.83 42.49 24.49 128.26 3 0 1000.00 -999 ? >VAL~C 14 44.21 26.24 123.78 43.73 24.85 122.12 43.97 25.55 122.95 3 0 1000.00 -999 ? >LYS~C 15 45.81 29.64 123.03 45.77 35.83 122.13 45.79 32.73 122.58 2 0 1000.00 -999 ? >TRP~C 16 46.90 30.94 129.95 46.46 27.40 131.62 46.68 29.17 130.78 3 0 1000.00 -999 ? >PHE~C 17 47.78 23.88 126.90 49.18 21.47 127.00 48.48 22.67 126.95 3 0 1000.00 -999 ? >LEU~C 18 49.94 26.69 122.74 49.42 25.00 121.46 49.68 25.85 122.10 3 0 1000.00 -999 ? >ASN~C 19 50.92 31.31 125.38 50.72 31.92 123.34 50.82 31.61 124.36 2 0 1000.00 -999 ? >ASN~C 20 51.27 28.89 130.03 50.73 30.95 130.20 51.00 29.92 130.12 2 0 1000.00 -999 ? >TYR~C 21 51.48 24.38 130.41 50.39 25.08 132.88 50.94 24.73 131.64 3 0 1000.00 -999 ? >GLN.C 22 58.11 22.80 125.48 58.27 23.95 123.70 58.19 23.38 124.59 2 0 1000.00 -999 ? >LEU.C 23 53.35 19.86 123.69 51.16 19.75 123.82 52.26 19.81 123.76 3 0 1000.00 -999 ? >LYS.C 24 56.66 16.89 124.72 57.14 12.82 129.57 56.90 14.86 127.15 2 0 1000.00 -999 ? >GLN.C 25 55.51 14.34 119.33 55.25 12.23 119.28 55.38 13.29 119.31 2 0 1000.00 -999 ? >ARG~C 26 58.82 20.92 116.50 60.97 19.22 115.09 59.89 20.07 115.80 2 0 1000.00 -999 ? >GLU~C 27 54.49 15.32 115.86 56.48 15.56 115.18 55.49 15.44 115.52 2 0 1000.00 -999 ? >CYH~C 28 50.87 17.83 118.99 51.60 15.52 120.38 51.23 16.68 119.68 2 0 1000.00 -999 ? >VAL~C 29 51.27 21.63 118.96 52.92 22.97 119.64 52.10 22.30 119.30 3 0 1000.00 -999 ? >TRP~C 30 53.30 22.41 115.04 55.93 20.25 113.09 54.62 21.33 114.07 3 0 1000.00 -999 ? >ILE~C 31 47.39 17.93 116.76 47.29 16.59 116.96 47.34 17.26 116.86 3 0 1000.00 -999 ? >LEU~C 32 46.87 22.28 119.76 46.17 21.58 121.72 46.51 21.93 120.74 3 0 1000.00 -999 ? >ASN~C 33 48.44 25.24 115.54 49.76 26.08 117.00 49.10 25.66 116.27 2 0 1000.00 -999 ? >TYR~C 34 44.19 21.13 112.00 42.17 19.97 110.45 43.18 20.55 111.23 3 0 1000.00 -999 ? >LEU~C 35 42.12 21.68 116.97 41.65 19.55 116.96 41.88 20.61 116.97 3 0 1000.00 -999 ? >MET~C 36 42.31 26.26 117.07 44.42 29.17 119.10 43.36 27.72 118.08 2 0 1000.00 -999 ? >SER~C 37 42.10 27.48 113.46 42.67 27.66 111.10 42.38 27.57 112.28 2 0 1000.00 -999 ? >HIS~C 38 39.94 24.05 110.80 41.38 23.98 109.27 40.66 24.01 110.03 3 0 1000.00 -999 ? >ASP~C 39 35.50 28.13 114.82 35.51 29.14 112.96 35.51 28.64 113.89 2 0 1000.00 -999 ? >GLN~C 40 32.44 23.53 110.91 31.42 25.34 110.44 31.93 24.43 110.67 2 0 1000.00 -999 ? >LEU~C 41 37.55 21.26 114.42 37.54 19.71 112.84 37.55 20.49 113.63 3 0 1000.00 -999 ? >MET~C 42 36.02 23.45 118.01 38.58 24.11 119.90 37.30 23.78 118.96 2 0 1000.00 -999 ? >HIS~C 43 30.50 24.23 118.04 29.55 25.06 116.36 30.02 24.65 117.20 3 0 1000.00 -999 ? >LYS.C 44 33.05 18.98 118.26 30.42 19.16 113.40 31.74 19.07 115.83 2 0 1000.00 -999 ? >VAL^C 45 36.17 19.21 120.48 38.21 20.08 120.24 37.19 19.64 120.36 3 0 1000.00 -999 ? >HIS^C 46 33.42 17.31 123.56 31.66 17.59 122.46 32.54 17.45 123.01 3 0 1000.00 -999 ? >PHE^C 47 39.53 20.66 126.32 40.85 21.95 124.22 40.19 21.31 125.27 3 0 1000.00 -999 ? >VAL.C 48 38.08 15.51 129.12 36.99 13.87 128.06 37.54 14.69 128.59 3 0 1000.00 -999 ? >GLU.C 49 37.95 14.54 134.17 39.09 15.22 135.83 38.52 14.88 135.00 2 0 1000.00 -999 ? >HIS~C 50 40.02 9.18 133.07 40.61 9.48 135.06 40.31 9.33 134.06 3 0 1000.00 -999 ? >ALA~C 51 40.04 10.28 126.95 40.86 11.35 126.22 40.45 10.81 126.58 2 0 1000.00 -999 ? >LYS~C 52 41.07 6.63 126.36 43.35 3.40 131.35 42.21 5.01 128.85 2 0 1000.00 -999 ? >TYR~C 53 37.43 5.02 129.26 38.79 4.07 131.50 38.11 4.55 130.38 3 0 1000.00 -999 ? >CYH~C 54 36.28 7.70 123.89 36.36 9.93 125.57 36.32 8.81 124.73 2 0 1000.00 -999 ? >PRO.C 55 33.63 8.41 120.62 35.46 7.13 120.88 34.54 7.77 120.75 3 0 1000.00 -999 ? >ARG.C 56 37.09 10.39 115.54 38.48 12.68 114.01 37.78 11.53 114.78 2 0 1000.00 -999 ? >GLY^C 57 40.30 10.06 122.18 40.64 10.01 121.45 40.47 10.04 121.81 1 0 1000.00 -999 ? >LEU^C 58 43.22 13.60 121.25 44.31 14.31 119.51 43.76 13.96 120.38 3 0 1000.00 -999 ? >VAL^C 59 46.02 12.14 124.78 45.99 10.55 126.31 46.00 11.34 125.55 3 0 1000.00 -999 ? >MET^C 60 48.83 14.72 124.84 47.28 16.36 121.45 48.05 15.54 123.15 2 0 1000.00 -999 ? >SER^C 61 51.41 15.67 127.47 51.02 13.41 128.29 51.22 14.54 127.88 2 0 1000.00 -999 ? >ALA.C 62 53.64 18.61 128.38 53.18 19.81 129.19 53.41 19.21 128.78 2 0 1000.00 -999 ? >ASN.C 63 58.48 18.75 128.41 58.69 20.89 128.62 58.59 19.82 128.51 2 0 1000.00 -999 ? >CYH.C 64 56.83 18.71 133.04 54.38 20.05 132.74 55.60 19.38 132.89 2 0 1000.00 -999 ? >VAL.C 65 54.92 15.56 134.04 52.85 15.66 134.79 53.89 15.61 134.41 3 0 1000.00 -999 ? >LYS.C 66 56.36 12.20 132.97 61.07 10.05 131.79 58.72 11.12 132.38 2 0 1000.00 -999 ? >ASP.C 67 51.85 11.75 131.13 50.94 11.56 133.03 51.40 11.65 132.08 2 0 1000.00 -999 ? >THR.C 68 53.57 9.70 127.52 52.65 7.74 127.54 53.11 8.72 127.53 2 0 1000.00 -999 ? >PRO.C 69 56.09 11.70 124.67 53.93 11.84 125.21 55.01 11.77 124.94 3 0 1000.00 -999 ? >PHE^C 70 50.24 11.73 119.96 48.01 11.75 118.28 49.13 11.74 119.12 3 0 1000.00 -999 ? >HIS^C 71 48.93 7.13 123.73 50.52 6.02 124.54 49.73 6.57 124.14 3 0 1000.00 -999 ? >PHE^C 72 44.13 9.25 117.45 41.75 9.66 116.03 42.94 9.45 116.74 3 0 1000.00 -999 ? >PHE^C 73 43.01 5.92 122.95 45.08 5.47 124.77 44.04 5.69 123.86 3 0 1000.00 -999 ? >LYS.C 74 40.15 5.36 117.52 39.29 7.84 112.79 39.72 6.60 115.16 2 0 1000.00 -999 ? >GLN.C 75 34.83 3.67 117.61 32.90 2.91 117.06 33.87 3.29 117.33 2 0 1000.00 -999 ? >ASN.C 76 39.25 -0.87 115.99 37.37 -1.89 115.89 38.31 -1.38 115.94 2 0 1000.00 -999 ? >VAL.C 77 43.09 1.21 117.41 43.55 1.12 115.26 43.32 1.16 116.33 3 0 1000.00 -999 ? >MET^C 78 45.49 2.88 119.87 46.53 0.40 123.07 46.01 1.64 121.47 2 0 1000.00 -999 ? >THR^C 79 48.09 4.58 117.65 47.72 5.96 115.99 47.91 5.27 116.82 2 0 1000.00 -999 ? >THR.C 80 51.16 6.40 119.00 53.12 5.67 119.65 52.14 6.03 119.33 2 0 1000.00 -999 ? >ASP~C 81 52.26 7.29 114.36 53.38 8.35 112.91 52.82 7.82 113.64 2 0 1000.00 -999 ? >ALA~C 82 51.08 11.70 115.69 51.83 12.80 116.42 51.46 12.25 116.05 2 0 1000.00 -999 ? >GLU~C 83 53.95 13.03 111.58 55.80 12.52 110.68 54.88 12.77 111.13 2 0 1000.00 -999 ? >LYS~C 84 49.18 9.48 110.87 49.83 5.64 107.70 49.50 7.56 109.28 2 0 1000.00 -999 ? >SER~C 85 46.70 10.61 113.54 47.33 9.22 115.42 47.01 9.92 114.48 2 0 1000.00 -999 ? >PHE~C 86 48.23 16.51 112.10 48.01 19.25 111.57 48.12 17.88 111.84 3 0 1000.00 -999 ? >HIS~C 87 46.91 11.93 106.60 46.17 11.50 104.69 46.54 11.72 105.65 3 0 1000.00 -999 ? >ASP~C 88 43.66 9.94 111.25 41.93 8.73 111.41 42.80 9.34 111.33 2 0 1000.00 -999 ? >ILE~C 89 41.99 14.35 113.43 42.70 14.67 114.53 42.35 14.51 113.98 3 0 1000.00 -999 ? >ARG~C 90 44.84 18.24 108.59 46.38 20.18 106.79 45.61 19.21 107.69 2 0 1000.00 -999 ? >LEU~C 91 40.65 12.70 106.27 42.22 12.62 104.77 41.44 12.66 105.52 3 0 1000.00 -999 ? >ASN~C 92 38.06 12.07 110.57 38.69 10.12 109.99 38.38 11.09 110.28 2 0 1000.00 -999 ? >ARG.C 93 38.14 18.10 108.73 38.05 20.98 107.70 38.09 19.54 108.21 2 0 1000.00 -999 ? >ASP.C 94 31.83 15.15 110.08 32.32 13.25 109.29 32.08 14.20 109.69 2 0 1000.00 -999 ? >GLU.C 95 32.97 10.81 114.20 32.11 10.61 112.28 32.54 10.71 113.24 2 0 1000.00 -999 ? >ASP.C 96 32.54 14.22 119.07 30.77 15.35 118.82 31.65 14.78 118.95 2 0 1000.00 -999 ? >ILE^C 97 38.30 15.36 118.56 39.33 15.51 117.51 38.82 15.43 118.03 3 0 1000.00 -999 ? >TYR^C 98 35.76 12.91 123.54 32.97 12.85 123.31 34.36 12.88 123.43 3 0 1000.00 -999 ? >ILE^C 99 41.75 16.94 123.42 42.38 17.68 122.38 42.06 17.31 122.90 3 0 1000.00 -999 ? >GLN^C 100 43.86 12.91 128.05 44.05 11.53 129.67 43.96 12.22 128.86 2 0 1000.00 -999 ? >LEU^C 101 46.11 18.86 128.15 45.75 19.13 125.98 45.93 19.00 127.06 3 0 1000.00 -999 ? >ASN^C 102 49.39 14.92 130.90 47.91 13.40 130.66 48.65 14.16 130.78 2 0 1000.00 -999 ? >PHE.C 103 48.75 21.14 131.80 46.12 22.09 131.98 47.44 21.62 131.89 3 0 1000.00 -999 ? >LYS.C 104 52.08 20.01 135.90 55.77 17.50 138.32 53.93 18.75 137.11 2 0 1000.00 -999 ? >SER.C 105 49.62 22.18 137.83 49.28 24.16 136.47 49.45 23.17 137.15 2 0 1000.00 -999 ? >SER.C 106 46.44 21.15 135.94 46.89 19.10 134.70 46.66 20.13 135.32 2 0 1000.00 -999 ? >PHE.C 107 42.13 19.65 138.80 40.01 18.36 137.52 41.07 19.01 138.16 3 0 1000.00 -999 ? >GLN.C 108 47.51 26.20 140.70 49.17 27.07 139.68 48.34 26.64 140.19 2 0 1000.00 -999 ? >ASN~C 109 44.85 26.43 135.53 46.98 26.35 135.70 45.92 26.39 135.62 2 0 1000.00 -999 ? >ALA~C 110 40.46 27.60 137.05 40.01 28.91 137.67 40.24 28.26 137.36 2 0 1000.00 -999 ? >ASN~C 111 40.88 28.95 132.40 42.99 28.61 132.49 41.93 28.78 132.44 2 0 1000.00 -999 ? >TYR~C 112 42.65 22.25 132.94 42.79 19.46 132.83 42.72 20.86 132.88 3 0 1000.00 -999 ? >VAL~C 113 38.67 23.18 135.29 38.85 22.95 137.49 38.76 23.07 136.39 3 0 1000.00 -999 ? >ALA~C 114 36.01 25.35 133.59 36.03 26.88 133.55 36.02 26.12 133.57 2 0 1000.00 -999 ? >VAL~C 115 36.78 23.93 130.12 38.40 23.93 128.59 37.59 23.93 129.35 3 0 1000.00 -999 ? >LEU~C 116 37.06 19.77 132.65 38.97 18.77 133.02 38.01 19.27 132.84 3 0 1000.00 -999 ? >GLU.C 117 33.16 19.82 128.20 32.91 19.91 126.11 33.03 19.86 127.15 2 0 1000.00 -999 ? >GLU.C 118 29.85 15.02 133.35 29.35 13.02 133.84 29.60 14.02 133.59 2 0 1000.00 -999 ? >ASN.C 119 34.24 11.96 128.93 34.94 10.10 129.72 34.59 11.03 129.32 2 0 1000.00 -999 ? >PRO.C 120 29.37 10.95 127.04 30.44 10.25 128.91 29.91 10.60 127.98 3 0 1000.00 -999 ? >TYR.C 121 32.41 7.55 126.08 31.09 8.86 123.99 31.75 8.21 125.03 3 0 1000.00 -999 ? >LEU.C 122 33.45 7.50 133.12 35.52 7.65 133.86 34.48 7.57 133.49 3 0 1000.00 -999 ? >PRO.C 123 34.88 2.44 133.25 32.88 3.49 133.12 33.88 2.97 133.18 3 0 1000.00 -999 ? >LYS.C 124 31.84 2.10 137.02 33.49 -2.39 138.14 32.67 -0.14 137.58 2 0 1000.00 -999 ? >HIS.C 125 35.73 3.78 137.96 36.50 2.05 137.04 36.11 2.91 137.50 3 0 1000.00 -999 ? >ARG~C 133 27.98 19.71 144.48 26.23 21.03 146.64 27.10 20.37 145.56 2 0 1000.00 -999 ? >LEU~C 134 34.12 15.67 143.77 34.41 13.92 142.48 34.26 14.80 143.12 3 0 1000.00 -999 ? >LEU~C 135 34.85 19.01 139.22 35.61 17.43 137.86 35.23 18.22 138.54 3 0 1000.00 -999 ? >ALA~C 136 35.24 22.18 142.40 33.92 22.87 142.72 34.58 22.53 142.56 2 0 1000.00 -999 ? >GLU~C 137 34.55 19.95 146.72 34.00 19.44 148.71 34.28 19.69 147.72 2 0 1000.00 -999 ? >ARG~C 138 39.64 15.72 142.08 39.09 14.95 139.14 39.36 15.34 140.61 2 0 1000.00 -999 ? >PHE~C 139 40.00 24.93 141.37 40.82 27.56 140.94 40.41 26.25 141.16 3 0 1000.00 -999 ? >LEU~C 140 39.07 23.97 147.02 38.75 25.19 148.85 38.91 24.58 147.93 3 0 1000.00 -999 ? >GLU~C 141 41.74 18.82 148.32 43.29 17.51 148.94 42.52 18.17 148.63 2 0 1000.00 -999 ? >GLU~C 142 45.08 19.77 143.10 47.00 18.84 143.08 46.04 19.31 143.09 2 0 1000.00 -999 ? >SER~C 143 45.17 25.50 145.13 43.73 26.24 143.32 44.45 25.87 144.22 2 0 1000.00 -999 ? >VAL~C 144 45.58 25.20 148.92 44.38 24.65 150.71 44.98 24.92 149.82 3 0 1000.00 -999 ? >PHE~C 145 49.89 20.87 147.53 52.37 19.59 147.26 51.13 20.23 147.40 3 0 1000.00 -999 ? >SER~C 146 50.46 24.92 145.66 48.80 25.51 143.99 49.63 25.22 144.82 2 0 1000.00 -999 ? >PHE~C 147 48.94 30.04 148.88 49.21 32.45 150.28 49.08 31.25 149.58 3 0 1000.00 -999 ? >ARG~C 148 49.58 24.18 152.85 47.30 24.53 154.89 48.44 24.35 153.87 2 0 1000.00 -999 ? >ARG~C 149 54.89 23.27 145.47 56.80 23.90 143.15 55.85 23.58 144.31 2 0 1000.00 -999 ? >GLU~C 150 54.46 28.74 144.82 53.18 29.71 143.43 53.82 29.22 144.13 2 0 1000.00 -999 ? >ARG~C 151 52.47 31.54 152.36 53.35 34.47 152.61 52.91 33.00 152.48 2 0 1000.00 -999 ? >LEU~C 152 57.65 26.32 152.35 57.03 26.33 154.47 57.34 26.32 153.41 3 0 1000.00 -999 ? >LEU~C 153 59.92 28.18 147.68 60.68 26.53 146.43 60.30 27.35 147.05 3 0 1000.00 -999 ? >LYS~C 154 60.02 32.26 149.71 58.65 37.40 149.63 59.33 34.83 149.67 2 0 1000.00 -999 ? >GLN~C 155 58.32 31.56 154.74 56.96 30.28 155.77 57.64 30.92 155.25 2 0 1000.00 -999 ? >ILE~C 156 63.60 28.13 151.94 63.83 26.77 151.74 63.72 27.45 151.84 3 0 1000.00 -999 ? >ASP~C 157 64.57 32.19 148.84 65.84 31.20 147.49 65.21 31.69 148.16 2 0 1000.00 -999 ? >GLU~C 158 62.96 36.37 151.07 64.50 37.39 150.00 63.73 36.88 150.54 2 0 1000.00 -999 ? >ALA~C 159 66.19 33.01 155.37 65.51 31.82 156.01 65.85 32.42 155.69 2 0 1000.00 -999 ? >LEU~C 160 69.03 31.19 151.87 70.20 29.37 151.55 69.61 30.28 151.71 3 0 1000.00 -999 ? >ASP~C 161 68.57 36.25 150.68 68.92 38.31 150.36 68.74 37.28 150.52 2 0 1000.00 -999 ? >LYS.C 162 69.14 36.89 155.18 65.34 40.36 154.64 67.24 38.63 154.91 2 0 1000.00 -999 ? >GLN.C 163 73.69 34.56 155.26 75.72 35.21 155.39 74.70 34.88 155.33 2 0 1000.00 -999 ? >ASP~C 164 67.98 32.96 159.18 67.11 32.93 161.13 67.54 32.95 160.16 2 0 1000.00 -999 ? >LYS~C 165 70.36 28.72 159.91 76.01 27.38 159.22 73.18 28.05 159.57 2 0 1000.00 -999 ? >GLU~C 166 68.33 29.84 164.86 67.38 29.11 166.61 67.86 29.47 165.73 2 0 1000.00 -999 ? >ALA~C 167 65.09 29.14 160.01 64.76 30.50 159.43 64.93 29.82 159.72 2 0 1000.00 -999 ? >PHE~C 168 68.22 26.43 155.31 68.51 25.25 152.80 68.37 25.84 154.05 3 0 1000.00 -999 ? >HIS~C 169 68.75 22.92 159.11 70.65 22.69 158.26 69.70 22.81 158.69 3 0 1000.00 -999 ? >ARG~C 170 62.73 26.86 163.49 62.83 29.81 162.60 62.78 28.33 163.05 2 0 1000.00 -999 ? >LEU~C 171 61.72 27.02 156.30 61.05 28.97 157.05 61.39 28.00 156.68 3 0 1000.00 -999 ? >THR~C 172 63.23 22.74 154.89 65.25 22.50 154.08 64.24 22.62 154.49 2 0 1000.00 -999 ? >ALA~C 173 61.53 20.29 157.29 62.17 19.79 158.57 61.85 20.04 157.93 2 0 1000.00 -999 ? >GLU.C 174 57.78 23.46 158.55 57.92 25.47 159.22 57.85 24.46 158.89 2 0 1000.00 -999 ?