REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 26-APR-06 2GSC COMPND PUTATIVE UNCHARACTERIZED PROTEIN XCC0516; COMPND 3 CHAIN: A, B, C, D, E; COMPND 4 SYNONYM: CONSERVED HYPOTHETICAL PROTEIN, CONSERVED COMPND 5 HYPOTHETICAL CYTOSOLIC PROTEIN XCC0516; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; SOURCE 3 ORGANISM_TAXID: 340; SOURCE 4 STRAIN: ATCC 33913; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR L.Y.LIN,C.L.CHING,K.H.CHIN,S.H.CHOU,N.L.CHAN >ARG.A 9 35.61 88.57 32.87 36.44 86.63 30.64 36.02 87.60 31.75 2 0 1000.00 -999 ? >PRO~A 10 28.18 90.16 34.28 29.78 89.90 35.87 28.98 90.03 35.08 3 0 1000.00 -999 ? >HIS~A 11 30.13 85.35 34.13 31.85 85.66 32.97 30.99 85.51 33.55 3 0 1000.00 -999 ? >GLU~A 12 33.96 85.93 36.13 36.00 86.34 35.69 34.98 86.13 35.91 2 0 1000.00 -999 ? >ARG~A 13 30.70 90.74 41.62 27.98 91.66 40.47 29.34 91.20 41.04 2 0 1000.00 -999 ? >LEU~A 14 27.02 83.81 39.87 25.55 85.09 38.92 26.28 84.45 39.39 3 0 1000.00 -999 ? >ASP~A 15 27.31 80.83 44.56 28.02 81.45 46.44 27.66 81.14 45.50 2 0 1000.00 -999 ? >ALA~A 16 26.62 79.02 40.72 25.27 79.36 40.10 25.95 79.19 40.41 2 0 1000.00 -999 ? >TRP~A 17 30.48 81.04 35.29 34.13 81.90 36.50 32.31 81.47 35.89 3 0 1000.00 -999 ? >ARG~A 18 32.76 82.65 42.95 33.58 83.44 45.83 33.17 83.04 44.39 2 0 1000.00 -999 ? >ASP~A 19 29.72 75.81 42.75 29.89 76.70 44.69 29.80 76.25 43.72 2 0 1000.00 -999 ? >SER~A 20 30.24 75.02 38.24 29.69 76.77 36.67 29.97 75.89 37.46 2 0 1000.00 -999 ? >MET~A 21 33.75 76.01 37.11 34.40 77.95 34.45 34.07 76.98 35.78 2 0 1000.00 -999 ? >GLU~A 22 35.21 72.93 42.31 35.79 73.31 44.33 35.50 73.12 43.32 2 0 1000.00 -999 ? >LEU~A 23 31.50 71.07 38.55 30.24 69.33 38.06 30.87 70.20 38.30 3 0 1000.00 -999 ? >VAL~A 24 34.44 71.48 35.18 33.95 72.81 33.52 34.19 72.15 34.35 3 0 1000.00 -999 ? >GLU~A 25 40.15 72.00 37.60 41.06 73.12 39.14 40.60 72.56 38.37 2 0 1000.00 -999 ? >MET~A 26 37.01 68.03 38.36 34.68 68.57 41.86 35.85 68.30 40.11 2 0 1000.00 -999 ? >ILE~A 27 34.48 67.11 34.26 33.63 66.01 34.20 34.05 66.56 34.23 3 0 1000.00 -999 ? >TYR~A 28 38.86 69.29 31.56 37.85 70.56 29.29 38.36 69.93 30.42 3 0 1000.00 -999 ? >ARG~A 29 42.48 68.31 38.34 44.63 70.51 38.28 43.55 69.41 38.31 2 0 1000.00 -999 ? >LEU~A 30 37.04 62.79 36.36 35.69 61.06 36.54 36.37 61.93 36.45 3 0 1000.00 -999 ? >THR~A 31 38.77 62.10 32.31 37.53 63.59 31.36 38.15 62.85 31.84 2 0 1000.00 -999 ? >GLU~A 32 43.69 64.36 32.57 44.41 65.81 33.94 44.05 65.09 33.25 2 0 1000.00 -999 ? >VAL~A 33 42.84 58.50 33.69 42.90 58.67 35.90 42.87 58.59 34.80 3 0 1000.00 -999 ? >PHE~A 34 37.81 58.37 31.37 35.40 58.86 32.68 36.61 58.61 32.03 3 0 1000.00 -999 ? >PRO~A 35 39.21 53.38 29.40 40.71 55.04 29.24 39.96 54.21 29.32 3 0 1000.00 -999 ? >ASP~A 36 44.20 56.21 25.37 45.33 57.54 26.58 44.77 56.88 25.98 2 0 1000.00 -999 ? >GLN~A 37 39.27 51.97 22.87 37.27 52.11 22.13 38.27 52.04 22.50 2 0 1000.00 -999 ? >GLU~A 38 35.75 56.69 26.57 34.51 55.50 25.37 35.13 56.09 25.97 2 0 1000.00 -999 ? >ARG~A 39 42.87 61.64 24.65 42.38 64.13 26.43 42.62 62.89 25.54 2 0 1000.00 -999 ? >TYR.A 40 38.81 61.43 20.15 41.59 61.67 20.03 40.20 61.55 20.09 3 0 1000.00 -999 ? >GLY~A 41 33.91 59.33 23.09 34.28 59.90 23.58 34.10 59.61 23.34 1 0 1000.00 -999 ? >LEU~A 42 32.82 58.45 27.68 31.36 58.36 29.31 32.09 58.41 28.50 3 0 1000.00 -999 ? >THR~A 43 35.65 61.84 27.69 37.78 61.22 27.50 36.72 61.53 27.59 2 0 1000.00 -999 ? >ALA~A 44 34.88 64.38 24.93 35.08 64.21 23.42 34.98 64.29 24.17 2 0 1000.00 -999 ? >GLN~A 45 29.99 62.52 24.19 29.13 60.59 23.97 29.56 61.56 24.08 2 0 1000.00 -999 ? >LEU~A 46 32.64 63.78 30.45 32.14 62.09 31.68 32.39 62.94 31.07 3 0 1000.00 -999 ? >ARG~A 47 37.58 66.79 28.25 40.55 66.18 28.58 39.06 66.49 28.42 2 0 1000.00 -999 ? >ARG~A 48 29.68 69.01 22.83 27.65 68.94 20.50 28.67 68.97 21.66 2 0 1000.00 -999 ? >ALA~A 49 28.54 68.79 28.85 28.03 67.46 29.38 28.28 68.13 29.12 2 0 1000.00 -999 ? >ALA~A 50 30.63 70.25 31.71 31.89 69.61 32.28 31.26 69.93 32.00 2 0 1000.00 -999 ? >VAL~A 51 31.96 73.25 29.77 33.58 73.69 28.34 32.77 73.47 29.05 3 0 1000.00 -999 ? >SER~A 52 28.38 74.07 28.77 26.09 73.59 28.00 27.24 73.83 28.39 2 0 1000.00 -999 ? >ILE~A 53 27.38 73.72 33.58 27.03 72.75 34.45 27.21 73.23 34.02 3 0 1000.00 -999 ? >PRO~A 54 31.29 76.30 33.21 29.16 77.08 33.22 30.23 76.69 33.21 3 0 1000.00 -999 ? >SER~A 55 29.37 78.99 29.69 30.95 77.61 28.50 30.16 78.30 29.09 2 0 1000.00 -999 ? >ASN~A 56 24.66 78.05 29.54 24.53 77.34 27.54 24.59 77.69 28.54 2 0 1000.00 -999 ? >ILE~A 57 26.03 80.32 34.43 26.07 79.89 35.75 26.05 80.11 35.09 3 0 1000.00 -999 ? >ALA~A 58 27.98 83.42 31.90 29.38 83.12 31.40 28.68 83.27 31.65 2 0 1000.00 -999 ? >GLU~A 59 26.41 82.89 26.75 25.45 82.94 24.91 25.93 82.91 25.83 2 0 1000.00 -999 ? >GLY~A 60 22.72 84.50 31.02 23.45 84.93 31.03 23.09 84.72 31.03 1 0 1000.00 -999 ? >ALA~A 61 24.31 87.11 33.28 25.32 86.77 34.37 24.81 86.94 33.82 2 0 1000.00 -999 ? >ALA.A 62 25.06 89.17 30.17 25.87 88.61 29.01 25.47 88.89 29.59 2 0 1000.00 -999 ? >ARG.A 63 21.29 88.48 26.98 20.80 86.67 24.52 21.05 87.58 25.75 2 0 1000.00 -999 ? >ASP~A 68 16.14 86.87 28.08 17.47 86.83 26.43 16.81 86.85 27.25 2 0 1000.00 -999 ? >TYR~A 69 19.71 86.08 33.66 21.74 85.81 35.58 20.72 85.95 34.62 3 0 1000.00 -999 ? >SER~A 70 16.34 82.37 32.74 14.70 83.46 34.12 15.52 82.92 33.43 2 0 1000.00 -999 ? >ARG~A 71 15.42 80.50 25.60 17.81 81.92 24.26 16.61 81.21 24.93 2 0 1000.00 -999 ? >PHE~A 72 21.44 82.07 28.08 21.86 82.97 25.47 21.65 82.52 26.78 3 0 1000.00 -999 ? >LEU~A 73 19.73 79.77 34.30 20.91 81.32 35.31 20.32 80.55 34.80 3 0 1000.00 -999 ? >SER~A 74 17.60 76.41 31.91 15.37 75.69 31.19 16.49 76.05 31.55 2 0 1000.00 -999 ? >ILE~A 75 20.63 76.12 28.06 20.73 76.37 26.58 20.68 76.25 27.32 3 0 1000.00 -999 ? >ALA~A 76 22.84 75.09 31.93 23.32 76.27 32.77 23.08 75.68 32.35 2 0 1000.00 -999 ? >ARG~A 77 17.82 72.04 36.25 15.44 71.80 38.15 16.63 71.92 37.20 2 0 1000.00 -999 ? >GLY~A 78 19.97 70.54 31.26 20.69 70.80 31.57 20.33 70.67 31.42 1 0 1000.00 -999 ? >SER~A 79 23.70 70.21 30.63 24.25 71.93 29.00 23.98 71.07 29.82 2 0 1000.00 -999 ? >LEU~A 80 23.49 70.24 35.49 24.15 69.90 37.55 23.82 70.07 36.52 3 0 1000.00 -999 ? >SER~A 81 21.70 66.49 33.94 19.56 67.43 34.51 20.63 66.96 34.22 2 0 1000.00 -999 ? >GLU~A 82 24.75 65.63 28.56 25.08 66.88 26.87 24.92 66.25 27.72 2 0 1000.00 -999 ? >LEU~A 83 27.32 66.68 33.43 29.44 66.55 33.93 28.38 66.61 33.68 3 0 1000.00 -999 ? >ASP~A 84 24.09 64.03 36.54 23.89 62.71 38.16 23.99 63.37 37.35 2 0 1000.00 -999 ? >THR~A 85 24.00 60.86 33.26 22.28 60.44 31.97 23.14 60.65 32.61 2 0 1000.00 -999 ? >GLN~A 86 27.23 61.67 29.29 27.61 63.45 28.19 27.42 62.56 28.74 2 0 1000.00 -999 ? >VAL~A 87 29.19 60.48 34.93 29.79 61.91 36.51 29.49 61.19 35.72 3 0 1000.00 -999 ? >GLN~A 88 24.92 58.35 37.13 22.80 58.17 37.42 23.86 58.26 37.27 2 0 1000.00 -999 ? >ILE~A 89 27.67 56.27 31.13 27.09 56.27 29.85 27.38 56.27 30.49 3 0 1000.00 -999 ? >ALA~A 90 31.58 56.31 33.45 32.18 57.67 33.79 31.88 56.99 33.62 2 0 1000.00 -999 ? >ALA~A 91 30.91 54.75 36.87 29.93 55.27 37.93 30.42 55.01 37.40 2 0 1000.00 -999 ? >ARG~A 92 25.26 51.81 34.75 22.20 51.84 34.62 23.73 51.83 34.68 2 0 1000.00 -999 ? >LEU~A 93 31.97 52.02 31.47 30.80 51.97 29.62 31.38 51.99 30.54 3 0 1000.00 -999 ? >GLY.A 94 34.48 50.95 35.40 34.43 51.58 34.91 34.46 51.26 35.15 1 0 1000.00 -999 ? >TYR.A 95 35.65 54.21 31.78 35.17 52.83 29.38 35.41 53.52 30.58 3 0 1000.00 -999 ? >SER.A 96 36.00 55.81 37.68 33.69 56.46 38.05 34.84 56.13 37.87 2 0 1000.00 -999 ? >ARG~A 97 40.50 55.40 41.84 42.38 57.20 40.19 41.44 56.30 41.01 2 0 1000.00 -999 ? >SER~A 98 34.14 55.28 44.00 35.31 54.10 45.76 34.73 54.69 44.88 2 0 1000.00 -999 ? >GLU~A 99 38.41 56.83 45.53 40.52 57.05 45.81 39.46 56.94 45.67 2 0 1000.00 -999 ? >ASP~A 100 37.13 59.85 41.41 39.15 59.86 42.00 38.14 59.86 41.70 2 0 1000.00 -999 ? >ASP~A 101 32.04 57.74 41.42 30.03 57.69 40.72 31.04 57.72 41.07 2 0 1000.00 -999 ? >GLN~A 102 31.29 58.29 46.39 29.20 57.91 46.62 30.24 58.10 46.50 2 0 1000.00 -999 ? >SER~A 103 33.37 63.69 44.78 35.64 63.09 45.45 34.51 63.39 45.11 2 0 1000.00 -999 ? >VAL~A 104 31.81 64.52 41.40 32.36 64.23 39.29 32.08 64.38 40.34 3 0 1000.00 -999 ? >ARG~A 105 26.36 60.93 41.35 24.98 58.22 41.82 25.67 59.57 41.58 2 0 1000.00 -999 ? >ARG~A 106 30.22 64.41 48.74 32.70 62.57 48.86 31.46 63.49 48.80 2 0 1000.00 -999 ? >GLN~A 107 31.43 69.97 42.07 31.97 71.47 43.44 31.70 70.72 42.76 2 0 1000.00 -999 ? >VAL~A 108 26.93 68.07 40.90 26.41 66.66 39.30 26.67 67.36 40.10 3 0 1000.00 -999 ? >ASP~A 109 24.31 67.36 44.98 24.04 65.33 44.42 24.18 66.35 44.70 2 0 1000.00 -999 ? >LEU~A 110 27.56 71.65 45.32 28.27 73.20 46.68 27.92 72.43 46.00 3 0 1000.00 -999 ? >VAL~A 111 25.90 73.06 41.43 27.19 73.11 39.62 26.54 73.09 40.53 3 0 1000.00 -999 ? >PHE~A 112 20.18 70.50 41.06 17.42 70.38 40.59 18.80 70.44 40.82 3 0 1000.00 -999 ? >ALA~A 113 21.33 73.75 44.44 21.87 73.40 45.82 21.60 73.58 45.13 2 0 1000.00 -999 ? >LYS~A 114 23.16 76.98 43.60 27.46 77.65 47.09 25.31 77.31 45.34 2 0 1000.00 -999 ? >LEU~A 115 22.15 76.05 39.01 22.10 76.32 36.85 22.12 76.19 37.93 3 0 1000.00 -999 ? >THR~A 116 18.08 76.49 41.07 17.70 74.43 41.68 17.89 75.46 41.38 2 0 1000.00 -999 ? >ALA~A 117 18.33 79.04 43.90 19.30 79.00 45.06 18.82 79.02 44.48 2 0 1000.00 -999 ? >LEU~A 118 20.92 81.38 40.51 21.92 82.94 39.34 21.42 82.16 39.93 3 0 1000.00 -999 ? >MET~A 119 16.87 80.44 38.71 17.70 76.87 36.62 17.29 78.65 37.67 2 0 1000.00 -999 ? >ASN~A 120 14.15 79.96 42.73 13.64 77.91 42.42 13.89 78.94 42.57 2 0 1000.00 -999 ? >ALA~A 121 15.32 84.31 42.44 16.63 84.65 43.11 15.97 84.48 42.77 2 0 1000.00 -999 ? >LEU~A 122 16.09 84.78 37.69 18.03 85.55 37.10 17.06 85.16 37.39 3 0 1000.00 -999 ? >ARG~A 123 11.75 80.40 37.53 9.32 78.57 37.00 10.54 79.48 37.26 2 0 1000.00 -999 ? >ARG~A 124 10.65 84.47 44.92 12.95 82.49 45.39 11.80 83.48 45.16 2 0 1000.00 -999 ? >ARG~A 125 10.01 89.23 37.24 9.61 90.70 34.55 9.81 89.97 35.89 2 0 1000.00 -999 ? >ALA.B 7 20.59 67.32 41.65 20.89 66.73 40.27 20.74 67.03 40.96 2 0 1000.00 -999 ? >GLN.B 8 14.42 66.52 41.00 13.58 65.50 42.68 14.00 66.01 41.84 2 0 1000.00 -999 ? >ARG.B 9 20.20 62.11 40.11 22.34 63.77 41.59 21.27 62.94 40.85 2 0 1000.00 -999 ? >PRO~B 10 13.46 65.06 36.58 13.87 63.18 37.74 13.67 64.12 37.16 3 0 1000.00 -999 ? >HIS~B 11 17.02 62.23 34.23 18.85 62.60 35.18 17.94 62.41 34.71 3 0 1000.00 -999 ? >GLU~B 12 18.41 58.85 37.69 19.52 58.78 39.51 18.96 58.81 38.60 2 0 1000.00 -999 ? >ARG~B 13 10.55 59.10 39.89 9.11 61.38 38.35 9.83 60.24 39.12 2 0 1000.00 -999 ? >LEU~B 14 11.85 57.90 32.23 11.06 59.92 32.06 11.46 58.91 32.14 3 0 1000.00 -999 ? >ASP~B 15 10.53 52.59 31.12 9.21 51.96 32.64 9.87 52.27 31.88 2 0 1000.00 -999 ? >ALA~B 16 13.13 55.08 28.54 12.50 56.32 27.92 12.82 55.70 28.23 2 0 1000.00 -999 ? >TRP~B 17 18.21 58.79 31.58 19.74 56.83 34.62 18.98 57.81 33.10 3 0 1000.00 -999 ? >ARG~B 18 14.54 52.45 35.62 11.47 52.28 35.25 13.01 52.37 35.43 2 0 1000.00 -999 ? >ASP~B 19 15.20 50.69 28.49 13.71 49.65 29.69 14.46 50.17 29.09 2 0 1000.00 -999 ? >SER~B 20 18.72 53.50 27.32 17.33 55.44 26.78 18.02 54.47 27.05 2 0 1000.00 -999 ? >MET~B 21 21.37 53.23 30.01 22.60 56.04 31.55 21.98 54.63 30.78 2 0 1000.00 -999 ? >GLU~B 22 20.06 48.00 31.34 18.22 47.10 31.92 19.14 47.55 31.63 2 0 1000.00 -999 ? >LEU~B 23 20.86 50.77 24.94 20.76 50.36 22.80 20.81 50.57 23.87 3 0 1000.00 -999 ? >VAL~B 24 24.90 51.92 26.54 25.36 53.90 27.33 25.13 52.91 26.94 3 0 1000.00 -999 ? >GLU~B 25 26.03 49.47 30.86 25.73 48.61 32.79 25.88 49.04 31.83 2 0 1000.00 -999 ? >MET~B 26 25.42 46.48 25.70 21.42 45.31 25.91 23.42 45.89 25.80 2 0 1000.00 -999 ? >ILE~B 27 26.27 50.06 22.40 26.19 49.94 20.98 26.23 50.00 21.69 3 0 1000.00 -999 ? >TYR~B 28 30.66 51.17 26.03 31.37 53.86 25.79 31.02 52.52 25.91 3 0 1000.00 -999 ? >ARG~B 29 29.43 45.31 28.31 29.63 43.46 30.82 29.53 44.38 29.57 2 0 1000.00 -999 ? >LEU~B 30 27.95 44.85 20.92 27.21 45.11 18.86 27.58 44.98 19.89 3 0 1000.00 -999 ? >THR~B 31 31.90 46.95 20.28 30.96 48.89 20.44 31.43 47.92 20.36 2 0 1000.00 -999 ? >GLU~B 32 35.16 46.22 24.85 36.77 47.60 24.45 35.97 46.91 24.65 2 0 1000.00 -999 ? >VAL~B 33 35.35 42.92 19.69 33.74 41.43 20.12 34.54 42.17 19.91 3 0 1000.00 -999 ? >PHE~B 34 33.08 46.67 16.54 30.31 46.68 16.19 31.69 46.67 16.37 3 0 1000.00 -999 ? >PRO~B 35 36.99 45.10 12.77 37.72 45.55 14.86 37.36 45.33 13.81 3 0 1000.00 -999 ? >ASP~B 36 42.57 47.75 16.10 43.73 49.51 16.50 43.15 48.63 16.30 2 0 1000.00 -999 ? >GLN~B 37 42.12 48.45 10.77 42.02 46.35 11.17 42.07 47.40 10.97 2 0 1000.00 -999 ? >GLU~B 38 35.98 49.50 12.00 35.25 51.00 10.70 35.62 50.25 11.35 2 0 1000.00 -999 ? >ARG~B 39 40.92 52.58 19.72 42.99 50.97 21.33 41.95 51.78 20.52 2 0 1000.00 -999 ? >TYR.B 40 39.83 56.67 17.38 41.43 56.64 19.67 40.63 56.66 18.52 3 0 1000.00 -999 ? >GLY~B 41 35.46 55.06 13.31 35.29 54.79 14.10 35.37 54.92 13.71 1 0 1000.00 -999 ? >LEU~B 42 32.13 51.57 12.94 30.23 51.16 11.96 31.18 51.37 12.45 3 0 1000.00 -999 ? >THR~B 43 33.12 51.86 17.32 34.47 50.49 18.31 33.80 51.18 17.81 2 0 1000.00 -999 ? >ALA~B 44 33.41 55.47 18.57 34.55 56.47 18.26 33.98 55.97 18.42 2 0 1000.00 -999 ? >GLN~B 45 30.93 57.48 14.45 31.38 57.05 12.40 31.15 57.26 13.43 2 0 1000.00 -999 ? >LEU~B 46 28.49 52.03 17.98 27.76 50.48 16.67 28.13 51.25 17.33 3 0 1000.00 -999 ? >ARG~B 47 32.64 52.66 22.47 34.47 50.47 23.61 33.55 51.56 23.04 2 0 1000.00 -999 ? >ARG~B 48 30.96 60.96 19.50 30.23 63.92 20.27 30.60 62.44 19.89 2 0 1000.00 -999 ? >ALA~B 49 25.20 57.56 19.76 24.88 56.87 18.44 25.04 57.21 19.10 2 0 1000.00 -999 ? >ALA~B 50 24.28 55.08 22.51 24.98 53.77 22.79 24.63 54.43 22.65 2 0 1000.00 -999 ? >VAL~B 51 25.53 57.50 25.20 27.51 58.05 26.14 26.52 57.77 25.67 3 0 1000.00 -999 ? >SER~B 52 23.70 60.35 23.47 22.72 61.27 21.41 23.21 60.81 22.44 2 0 1000.00 -999 ? >ILE~B 53 19.89 57.32 23.61 19.24 56.37 22.81 19.57 56.85 23.21 3 0 1000.00 -999 ? >PRO~B 54 21.89 57.22 27.88 20.19 58.50 27.23 21.04 57.86 27.55 3 0 1000.00 -999 ? >SER~B 55 21.90 62.03 28.00 24.24 61.43 27.61 23.07 61.73 27.81 2 0 1000.00 -999 ? >ASN~B 56 19.15 63.41 24.26 20.43 64.73 23.20 19.79 64.07 23.73 2 0 1000.00 -999 ? >ILE~B 57 16.16 60.63 28.16 15.50 59.42 28.20 15.83 60.02 28.18 3 0 1000.00 -999 ? >ALA~B 58 17.98 63.58 30.95 19.31 63.17 31.55 18.64 63.37 31.25 2 0 1000.00 -999 ? >GLU~B 59 19.58 68.66 27.69 21.45 69.25 26.93 20.51 68.95 27.31 2 0 1000.00 -999 ? >GLY~B 60 14.96 67.17 28.08 15.25 67.01 28.83 15.10 67.09 28.46 1 0 1000.00 -999 ? >ALA~B 61 13.50 66.17 31.46 13.77 64.84 32.17 13.63 65.50 31.82 2 0 1000.00 -999 ? >ALA~B 62 15.44 69.06 33.05 16.97 69.05 33.11 16.20 69.06 33.08 2 0 1000.00 -999 ? >ARG.B 63 15.91 72.54 28.88 16.89 74.09 26.41 16.40 73.32 27.65 2 0 1000.00 -999 ? >ARG.B 64 10.46 77.86 32.33 8.58 79.71 30.72 9.52 78.79 31.52 2 0 1000.00 -999 ? >SER~B 65 8.42 73.57 29.02 8.84 74.44 26.79 8.63 74.01 27.91 2 0 1000.00 -999 ? >THR~B 66 6.83 70.56 27.33 4.85 69.63 27.42 5.84 70.10 27.37 2 0 1000.00 -999 ? >PRO~B 67 6.39 73.45 23.99 7.65 71.65 24.46 7.02 72.55 24.22 3 0 1000.00 -999 ? >ASP~B 68 12.19 72.50 26.11 12.98 74.29 25.30 12.58 73.39 25.70 2 0 1000.00 -999 ? >TYR~B 69 10.35 66.54 28.43 10.73 64.26 30.02 10.54 65.40 29.22 3 0 1000.00 -999 ? >SER~B 70 9.92 66.82 23.28 7.56 67.16 23.67 8.74 66.99 23.47 2 0 1000.00 -999 ? >ARG~B 71 14.16 72.06 20.29 15.94 73.12 22.56 15.05 72.59 21.42 2 0 1000.00 -999 ? >PHE~B 72 16.67 68.25 24.55 18.31 70.52 24.45 17.49 69.39 24.50 3 0 1000.00 -999 ? >LEU~B 73 11.88 63.12 23.81 11.21 62.65 25.83 11.55 62.88 24.82 3 0 1000.00 -999 ? >SER~B 74 13.07 63.74 19.50 12.48 64.78 17.39 12.77 64.26 18.44 2 0 1000.00 -999 ? >ILE~B 75 17.75 65.33 19.95 18.61 66.49 19.88 18.18 65.91 19.91 3 0 1000.00 -999 ? >ALA~B 76 17.21 61.00 21.45 16.64 60.78 22.84 16.92 60.89 22.14 2 0 1000.00 -999 ? >ARG~B 77 11.48 57.64 18.27 8.86 58.79 17.12 10.17 58.22 17.69 2 0 1000.00 -999 ? >GLY~B 78 17.16 60.26 16.12 17.37 59.82 16.79 17.26 60.04 16.46 1 0 1000.00 -999 ? >SER~B 79 20.32 58.99 17.89 21.29 60.84 19.15 20.80 59.92 18.52 2 0 1000.00 -999 ? >LEU~B 80 17.34 55.35 19.12 16.64 53.44 19.90 16.99 54.39 19.51 3 0 1000.00 -999 ? >SER~B 81 17.90 55.51 14.68 16.84 56.20 12.63 17.37 55.85 13.66 2 0 1000.00 -999 ? >GLU~B 82 22.72 57.99 15.10 23.67 59.87 14.86 23.19 58.93 14.98 2 0 1000.00 -999 ? >LEU~B 83 22.16 53.60 17.94 23.33 52.85 19.63 22.75 53.23 18.79 3 0 1000.00 -999 ? >ASP~B 84 18.88 50.96 14.85 18.06 49.14 14.21 18.47 50.05 14.53 2 0 1000.00 -999 ? >THR~B 85 21.66 51.69 11.36 21.30 53.27 9.91 21.48 52.48 10.64 2 0 1000.00 -999 ? >GLN~B 86 26.05 53.70 13.02 26.77 55.02 14.53 26.41 54.36 13.78 2 0 1000.00 -999 ? >VAL~B 87 24.50 48.09 14.43 23.49 47.46 16.28 23.99 47.77 15.36 3 0 1000.00 -999 ? >GLN~B 88 20.56 46.60 11.28 18.73 46.93 10.22 19.64 46.76 10.75 2 0 1000.00 -999 ? >ILE~B 89 26.51 49.33 8.95 26.40 49.42 7.57 26.45 49.38 8.26 3 0 1000.00 -999 ? >ALA~B 90 28.53 46.30 11.69 28.62 46.61 13.15 28.57 46.45 12.42 2 0 1000.00 -999 ? >ALA~B 91 26.69 42.98 11.29 25.26 42.72 11.71 25.98 42.85 11.50 2 0 1000.00 -999 ? >ARG~B 92 24.10 44.79 5.43 21.50 46.00 4.37 22.80 45.40 4.90 2 0 1000.00 -999 ? >LEU~B 93 31.29 45.22 8.02 31.12 47.15 7.01 31.21 46.19 7.52 3 0 1000.00 -999 ? >GLY.B 94 30.87 40.98 10.05 31.08 41.72 10.28 30.97 41.35 10.17 1 0 1000.00 -999 ? >TYR.B 95 32.92 45.20 12.15 34.19 46.72 10.20 33.56 45.96 11.17 3 0 1000.00 -999 ? >SER.B 96 29.57 41.57 15.41 27.42 42.24 14.46 28.49 41.90 14.93 2 0 1000.00 -999 ? >ARG~B 97 29.75 37.61 20.38 31.25 34.99 19.68 30.50 36.30 20.03 2 0 1000.00 -999 ? >SER~B 98 25.26 37.12 15.62 25.19 34.70 15.29 25.22 35.91 15.45 2 0 1000.00 -999 ? >GLU~B 99 26.16 35.02 20.08 26.88 33.59 18.67 26.52 34.30 19.38 2 0 1000.00 -999 ? >ASP~B 100 25.72 39.96 21.82 27.52 40.39 20.78 26.62 40.18 21.30 2 0 1000.00 -999 ? >ASP~B 101 24.20 40.92 16.26 23.07 41.72 14.68 23.63 41.32 15.47 2 0 1000.00 -999 ? >GLN~B 102 19.88 37.84 16.93 20.22 35.72 16.98 20.05 36.78 16.95 2 0 1000.00 -999 ? >SER~B 103 20.17 41.13 21.97 20.67 39.71 23.87 20.42 40.42 22.92 2 0 1000.00 -999 ? >VAL~B 104 21.05 44.68 20.93 22.86 45.75 20.28 21.96 45.22 20.61 3 0 1000.00 -999 ? >ARG~B 105 18.44 43.54 14.62 16.02 44.05 12.77 17.23 43.79 13.70 2 0 1000.00 -999 ? >ARG~B 106 13.17 41.58 21.98 11.25 39.42 20.90 12.21 40.50 21.44 2 0 1000.00 -999 ? >GLN~B 107 18.40 47.47 25.02 17.57 46.73 26.85 17.99 47.10 25.94 2 0 1000.00 -999 ? >VAL~B 108 16.66 48.91 20.35 17.86 49.44 18.56 17.26 49.18 19.45 3 0 1000.00 -999 ? >ASP~B 109 12.43 46.67 19.37 13.12 45.98 17.51 12.78 46.32 18.44 2 0 1000.00 -999 ? >LEU~B 110 12.99 47.51 24.58 12.29 47.20 26.63 12.64 47.35 25.61 3 0 1000.00 -999 ? >VAL~B 111 14.02 51.72 23.92 16.04 52.49 24.24 15.03 52.10 24.08 3 0 1000.00 -999 ? >PHE~B 112 11.45 52.82 18.34 9.99 54.12 16.33 10.72 53.47 17.33 3 0 1000.00 -999 ? >ALA~B 113 8.81 51.76 22.32 8.44 50.34 22.76 8.63 51.05 22.54 2 0 1000.00 -999 ? >LYS~B 114 9.46 53.47 25.67 9.81 49.48 29.42 9.64 51.48 27.54 2 0 1000.00 -999 ? >LEU~B 115 11.83 56.81 22.99 13.83 57.57 23.34 12.83 57.19 23.17 3 0 1000.00 -999 ? >THR~B 116 7.72 56.64 21.50 7.34 55.64 19.59 7.53 56.14 20.54 2 0 1000.00 -999 ? >ALA~B 117 5.14 56.13 24.29 5.18 54.98 25.30 5.16 55.56 24.79 2 0 1000.00 -999 ? >LEU~B 118 8.14 59.00 26.70 8.86 60.13 28.38 8.50 59.56 27.54 3 0 1000.00 -999 ? >MET~B 119 6.86 61.49 23.19 10.00 61.08 20.51 8.43 61.28 21.85 2 0 1000.00 -999 ? >ASN~B 120 2.58 59.50 22.43 2.90 59.25 20.34 2.74 59.38 21.38 2 0 1000.00 -999 ? >ALA~B 121 2.42 61.42 26.68 3.16 60.80 27.85 2.79 61.11 27.27 2 0 1000.00 -999 ? >LEU~B 122 5.11 65.34 25.77 6.74 65.17 27.24 5.93 65.25 26.51 3 0 1000.00 -999 ? >ARG.B 123 -1.70 65.94 24.53 -1.50 62.95 25.26 -1.60 64.45 24.90 2 0 1000.00 -999 ? >ARG~C 9 12.99 46.95 13.43 15.33 46.51 15.37 14.16 46.73 14.40 2 0 1000.00 -999 ? >PRO~C 10 7.58 51.75 9.77 8.42 49.73 9.21 8.00 50.74 9.49 3 0 1000.00 -999 ? >HIS~C 11 12.86 51.73 8.76 13.74 50.98 10.52 13.30 51.36 9.64 3 0 1000.00 -999 ? >GLU~C 12 13.99 47.50 8.37 14.59 46.00 9.74 14.29 46.75 9.06 2 0 1000.00 -999 ? >ARG~C 13 6.78 46.32 5.24 5.34 49.05 5.08 6.06 47.69 5.16 2 0 1000.00 -999 ? >LEU~C 14 11.19 51.88 2.31 9.60 53.14 3.04 10.39 52.51 2.67 3 0 1000.00 -999 ? >ASP~C 15 12.76 50.57 -2.91 11.91 48.83 -3.82 12.34 49.70 -3.36 2 0 1000.00 -999 ? >ALA~C 16 14.93 53.60 -0.39 14.22 54.93 -0.13 14.57 54.26 -0.26 2 0 1000.00 -999 ? >TRP~C 17 16.49 52.19 6.34 17.33 48.37 6.61 16.91 50.28 6.48 3 0 1000.00 -999 ? >ARG~C 18 14.71 46.04 0.38 11.96 44.92 1.18 13.34 45.48 0.78 2 0 1000.00 -999 ? >ASP~C 19 18.55 51.30 -2.61 17.43 49.87 -3.72 17.99 50.59 -3.16 2 0 1000.00 -999 ? >SER~C 20 20.44 53.28 1.20 18.97 55.04 2.06 19.71 54.16 1.63 2 0 1000.00 -999 ? >MET~C 21 22.03 50.51 3.23 21.24 50.48 6.69 21.64 50.49 4.96 2 0 1000.00 -999 ? >GLU~C 22 23.27 47.45 -2.08 22.88 45.40 -1.66 23.08 46.43 -1.87 2 0 1000.00 -999 ? >LEU~C 23 24.39 53.53 -0.89 25.16 55.38 -1.76 24.78 54.45 -1.32 3 0 1000.00 -999 ? >VAL~C 24 26.55 52.32 2.91 25.85 52.69 4.96 26.20 52.51 3.93 3 0 1000.00 -999 ? >GLU~C 25 26.95 46.99 3.08 26.32 45.04 2.55 26.63 46.01 2.81 2 0 1000.00 -999 ? >MET~C 26 29.43 50.24 -1.27 27.16 50.34 -4.77 28.30 50.29 -3.02 2 0 1000.00 -999 ? >ILE~C 27 30.04 54.42 1.16 30.39 55.64 0.49 30.21 55.03 0.82 3 0 1000.00 -999 ? >TYR~C 28 31.92 50.86 5.35 31.39 52.17 7.75 31.66 51.52 6.55 3 0 1000.00 -999 ? >ARG~C 29 33.61 46.70 -2.90 30.85 45.96 -1.69 32.23 46.33 -2.29 2 0 1000.00 -999 ? >LEU~C 30 34.13 53.31 -2.32 34.17 54.93 -3.80 34.15 54.12 -3.06 3 0 1000.00 -999 ? >THR~C 31 37.03 53.83 1.02 35.44 54.83 2.10 36.24 54.33 1.56 2 0 1000.00 -999 ? >GLU~C 32 38.57 48.64 1.20 37.38 46.89 1.08 37.98 47.76 1.14 2 0 1000.00 -999 ? >VAL.C 33 41.65 51.58 -0.16 41.03 50.42 -1.96 41.34 51.00 -1.06 3 0 1000.00 -999 ? >PHE.C 34 39.37 56.60 0.09 37.32 57.35 -1.69 38.34 56.97 -0.80 3 0 1000.00 -999 ? >PRO~C 35 44.82 58.43 0.00 44.32 56.69 1.35 44.57 57.56 0.68 3 0 1000.00 -999 ? >ASP~C 36 46.79 55.30 5.98 46.56 53.20 5.94 46.68 54.25 5.96 2 0 1000.00 -999 ? >GLN~C 37 47.56 60.59 4.14 49.02 59.08 3.71 48.29 59.84 3.92 2 0 1000.00 -999 ? >GLU~C 38 42.56 61.57 2.83 42.00 63.44 3.69 42.28 62.51 3.26 2 0 1000.00 -999 ? >ARG~C 39 41.51 54.35 9.12 41.76 53.80 12.15 41.63 54.07 10.63 2 0 1000.00 -999 ? >TYR.C 40 40.36 59.18 11.81 40.72 56.70 13.05 40.54 57.94 12.43 3 0 1000.00 -999 ? >GLY~C 41 39.54 62.03 7.04 38.77 62.34 7.21 39.16 62.19 7.13 1 0 1000.00 -999 ? >LEU~C 42 38.17 61.92 2.41 37.02 62.46 0.61 37.60 62.19 1.51 3 0 1000.00 -999 ? >THR~C 43 36.83 58.19 4.45 38.55 56.88 4.95 37.69 57.53 4.70 2 0 1000.00 -999 ? >ALA~C 44 35.21 59.00 7.81 35.92 59.60 9.03 35.57 59.30 8.42 2 0 1000.00 -999 ? >GLN~C 45 34.21 64.15 6.95 33.04 64.45 8.75 33.63 64.30 7.85 2 0 1000.00 -999 ? >LEU~C 46 32.75 59.08 2.39 33.39 59.77 0.45 33.07 59.43 1.42 3 0 1000.00 -999 ? >ARG~C 47 33.91 54.44 6.56 36.07 52.33 6.05 34.99 53.38 6.30 2 0 1000.00 -999 ? >ARG~C 48 31.26 60.98 10.82 34.01 60.90 12.25 32.64 60.94 11.53 2 0 1000.00 -999 ? >ALA~C 49 27.15 60.81 5.29 27.80 61.49 4.08 27.47 61.15 4.68 2 0 1000.00 -999 ? >ALA~C 50 26.08 57.38 4.04 27.03 56.27 3.61 26.56 56.83 3.82 2 0 1000.00 -999 ? >VAL~C 51 24.95 56.11 7.48 25.85 55.36 9.34 25.40 55.73 8.41 3 0 1000.00 -999 ? >SER~C 52 22.94 59.29 7.76 22.41 61.56 7.26 22.68 60.43 7.51 2 0 1000.00 -999 ? >ILE~C 53 21.21 58.12 3.24 21.65 58.50 2.30 21.43 58.31 2.77 3 0 1000.00 -999 ? >PRO~C 54 21.35 54.13 5.93 19.68 55.63 5.80 20.51 54.88 5.87 3 0 1000.00 -999 ? >SER~C 55 19.11 56.63 9.67 21.27 56.35 10.75 20.19 56.49 10.21 2 0 1000.00 -999 ? >ASN~C 56 17.55 60.79 7.79 18.74 62.09 9.00 18.15 61.44 8.39 2 0 1000.00 -999 ? >ILE~C 57 15.16 56.57 5.14 15.17 56.18 3.78 15.17 56.38 4.46 3 0 1000.00 -999 ? >ALA~C 58 14.17 55.21 9.36 15.24 54.45 10.15 14.70 54.83 9.75 2 0 1000.00 -999 ? >GLU~C 59 13.98 60.07 13.28 12.94 58.88 14.73 13.46 59.48 14.00 2 0 1000.00 -999 ? >GLY~C 60 11.06 59.38 8.82 11.02 58.68 9.25 11.04 59.03 9.03 1 0 1000.00 -999 ? >ALA~C 61 8.90 56.27 8.40 9.38 54.94 7.82 9.14 55.60 8.11 2 0 1000.00 -999 ? >ALA~C 62 8.21 56.23 12.16 9.28 56.02 13.22 8.74 56.13 12.69 2 0 1000.00 -999 ? >ARG.C 63 9.18 61.39 13.56 10.11 63.92 15.07 9.64 62.65 14.32 2 0 1000.00 -999 ? >ASP~C 68 7.31 65.26 10.98 7.70 66.76 12.41 7.50 66.01 11.69 2 0 1000.00 -999 ? >TYR~C 69 7.44 60.21 6.54 8.07 57.71 5.43 7.75 58.96 5.98 3 0 1000.00 -999 ? >SER~C 70 8.74 64.55 4.48 6.69 64.79 3.17 7.72 64.67 3.83 2 0 1000.00 -999 ? >ARG~C 71 11.93 69.28 9.10 12.81 68.40 11.92 12.37 68.84 10.51 2 0 1000.00 -999 ? >PHE~C 72 13.19 62.97 9.92 13.30 63.76 12.60 13.24 63.37 11.26 3 0 1000.00 -999 ? >LEU~C 73 12.27 62.18 3.07 11.12 60.31 3.43 11.69 61.25 3.25 3 0 1000.00 -999 ? >SER~C 74 14.72 65.96 2.89 14.74 68.39 3.22 14.73 67.17 3.06 2 0 1000.00 -999 ? >ILE~C 75 17.39 65.47 6.98 17.54 65.93 8.34 17.46 65.70 7.66 3 0 1000.00 -999 ? >ALA~C 76 18.38 62.15 3.96 17.44 60.94 3.90 17.91 61.54 3.93 2 0 1000.00 -999 ? >ARG~C 77 16.46 64.45 -2.71 14.45 66.25 -4.20 15.45 65.35 -3.46 2 0 1000.00 -999 ? >GLY~C 78 20.75 66.35 2.01 20.88 65.54 1.91 20.81 65.94 1.96 1 0 1000.00 -999 ? >SER~C 79 23.36 63.83 3.15 22.67 63.42 5.42 23.02 63.63 4.28 2 0 1000.00 -999 ? >LEU~C 80 21.90 61.48 -0.88 21.78 59.85 -2.36 21.84 60.67 -1.62 3 0 1000.00 -999 ? >SER~C 81 24.07 65.38 -1.98 23.39 67.46 -0.87 23.73 66.42 -1.43 2 0 1000.00 -999 ? >GLU~C 82 26.58 67.15 2.54 25.94 67.10 4.58 26.26 67.12 3.56 2 0 1000.00 -999 ? >LEU~C 83 27.07 60.89 0.02 27.71 58.86 0.37 27.39 59.87 0.19 3 0 1000.00 -999 ? >ASP~C 84 26.53 62.97 -4.72 26.96 63.24 -6.77 26.74 63.11 -5.74 2 0 1000.00 -999 ? >THR~C 85 30.06 65.55 -3.96 29.70 67.44 -2.92 29.88 66.50 -3.44 2 0 1000.00 -999 ? >GLN~C 86 32.56 64.65 0.68 32.01 64.24 2.69 32.29 64.44 1.68 2 0 1000.00 -999 ? >VAL~C 87 32.64 60.71 -3.87 31.32 58.97 -4.16 31.98 59.84 -4.02 3 0 1000.00 -999 ? >GLN~C 88 31.17 63.44 -8.14 30.10 64.87 -9.30 30.64 64.16 -8.72 2 0 1000.00 -999 ? >ILE~C 89 36.11 65.69 -3.69 36.46 67.01 -4.12 36.28 66.35 -3.91 3 0 1000.00 -999 ? >ALA~C 90 37.66 61.48 -4.20 36.97 60.37 -3.46 37.31 60.93 -3.83 2 0 1000.00 -999 ? >ALA~C 91 37.75 60.56 -7.91 36.53 60.37 -8.83 37.14 60.47 -8.37 2 0 1000.00 -999 ? >ARG~C 92 36.18 66.19 -9.34 35.62 68.93 -10.63 35.90 67.56 -9.98 2 0 1000.00 -999 ? >LEU~C 93 41.71 63.58 -4.68 41.39 65.43 -3.56 41.55 64.50 -4.12 3 0 1000.00 -999 ? >GLY~C 94 42.61 59.96 -7.58 42.29 60.04 -6.85 42.45 60.00 -7.22 1 0 1000.00 -999 ? >TYR.C 95 41.72 59.62 -2.65 43.18 61.71 -1.49 42.45 60.67 -2.07 3 0 1000.00 -999 ? >SER.C 96 38.94 55.59 -6.16 37.34 57.22 -7.02 38.14 56.40 -6.59 2 0 1000.00 -999 ? >ARG~C 97 38.86 49.22 -6.68 38.03 48.22 -3.85 38.45 48.72 -5.27 2 0 1000.00 -999 ? >SER~C 98 37.88 54.09 -11.93 38.31 55.42 -13.90 38.09 54.76 -12.91 2 0 1000.00 -999 ? >GLU~C 99 36.05 49.10 -11.73 38.13 48.88 -12.17 37.09 48.99 -11.95 2 0 1000.00 -999 ? >ASP~C 100 35.04 51.44 -7.30 35.83 49.51 -7.11 35.44 50.47 -7.20 2 0 1000.00 -999 ? >ASP~C 101 34.34 56.24 -9.44 33.62 58.21 -9.49 33.98 57.22 -9.47 2 0 1000.00 -999 ? >GLN~C 102 31.10 55.46 -14.01 29.15 56.18 -14.58 30.13 55.82 -14.30 2 0 1000.00 -999 ? >SER~C 103 29.11 51.84 -9.54 29.81 49.55 -9.92 29.46 50.70 -9.73 2 0 1000.00 -999 ? >VAL~C 104 28.70 54.26 -6.62 29.94 54.88 -4.88 29.32 54.57 -5.75 3 0 1000.00 -999 ? >ARG~C 105 29.22 59.46 -11.05 31.84 60.27 -9.60 30.53 59.86 -10.32 2 0 1000.00 -999 ? >ARG~C 106 26.12 52.52 -13.27 27.77 49.99 -12.59 26.95 51.26 -12.93 2 0 1000.00 -999 ? >GLN~C 107 23.86 52.35 -4.47 22.55 50.70 -4.84 23.21 51.52 -4.66 2 0 1000.00 -999 ? >VAL~C 108 23.64 57.30 -5.64 25.06 58.96 -5.25 24.35 58.13 -5.45 3 0 1000.00 -999 ? >ASP~C 109 21.76 57.64 -10.13 22.97 59.20 -10.97 22.36 58.42 -10.55 2 0 1000.00 -999 ? >LEU~C 110 19.55 53.53 -7.50 17.98 51.97 -7.49 18.76 52.75 -7.50 3 0 1000.00 -999 ? >VAL~C 111 18.83 56.10 -4.00 20.02 55.87 -2.16 19.42 55.99 -3.08 3 0 1000.00 -999 ? >PHE~C 112 18.26 61.78 -6.62 17.01 64.20 -7.32 17.64 62.99 -6.97 3 0 1000.00 -999 ? >ALA~C 113 15.20 58.32 -7.46 15.36 57.33 -8.60 15.28 57.83 -8.03 2 0 1000.00 -999 ? >LYS~C 114 13.77 56.20 -4.62 14.17 51.04 -6.33 13.97 53.62 -5.48 2 0 1000.00 -999 ? >LEU~C 115 15.30 59.80 -1.73 16.31 59.61 0.20 15.81 59.71 -0.76 3 0 1000.00 -999 ? >THR~C 116 12.33 61.41 -4.63 13.13 62.72 -6.16 12.73 62.07 -5.39 2 0 1000.00 -999 ? >ALA~C 117 9.66 58.80 -5.41 9.91 57.35 -5.83 9.78 58.08 -5.62 2 0 1000.00 -999 ? >LEU~C 118 9.46 57.44 -0.78 8.73 56.00 0.69 9.09 56.72 -0.05 3 0 1000.00 -999 ? >MET~C 119 9.01 61.98 -0.95 12.47 64.14 -0.08 10.74 63.06 -0.51 2 0 1000.00 -999 ? >ASN~C 120 6.77 62.59 -5.23 7.60 64.29 -6.23 7.19 63.44 -5.73 2 0 1000.00 -999 ? >ALA~C 121 3.61 60.66 -2.40 3.59 59.14 -2.29 3.60 59.90 -2.34 2 0 1000.00 -999 ? >LEU.C 122 4.11 64.75 -0.12 4.03 66.54 -1.41 4.07 65.64 -0.76 3 0 1000.00 -999 ? >ARG.D 9 24.13 63.30 -11.93 25.42 61.96 -9.47 24.78 62.63 -10.70 2 0 1000.00 -999 ? >PRO~D 10 18.99 68.26 -12.46 20.79 68.08 -13.84 19.89 68.17 -13.15 3 0 1000.00 -999 ? >HIS~D 11 23.18 69.27 -9.68 23.71 67.33 -9.06 23.44 68.30 -9.37 3 0 1000.00 -999 ? >GLU~D 12 26.40 67.23 -12.04 27.22 65.27 -12.21 26.81 66.25 -12.13 2 0 1000.00 -999 ? >ARG~D 13 22.87 70.17 -18.13 20.71 68.07 -18.35 21.79 69.12 -18.24 2 0 1000.00 -999 ? >LEU~D 14 24.56 75.10 -12.58 22.37 75.14 -12.46 23.47 75.12 -12.52 3 0 1000.00 -999 ? >ASP~D 15 28.75 78.33 -14.54 28.59 78.29 -16.65 28.67 78.31 -15.60 2 0 1000.00 -999 ? >ALA~D 16 27.99 77.84 -10.27 26.73 78.50 -9.72 27.36 78.17 -9.99 2 0 1000.00 -999 ? >TRP~D 17 27.02 71.11 -8.05 29.21 68.89 -10.45 28.11 70.00 -9.25 3 0 1000.00 -999 ? >ARG~D 18 29.98 72.72 -15.45 31.66 73.94 -17.73 30.82 73.33 -16.59 2 0 1000.00 -999 ? >ASP~D 19 32.82 77.71 -10.65 32.99 78.16 -12.72 32.90 77.94 -11.69 2 0 1000.00 -999 ? >SER~D 20 32.11 75.22 -6.81 30.07 76.24 -6.09 31.09 75.73 -6.45 2 0 1000.00 -999 ? >MET~D 21 33.37 71.68 -7.41 31.44 69.11 -6.52 32.41 70.40 -6.96 2 0 1000.00 -999 ? >GLU~D 22 38.24 74.09 -10.44 38.40 75.43 -12.09 38.32 74.76 -11.27 2 0 1000.00 -999 ? >LEU~D 23 35.83 76.25 -5.19 36.04 77.75 -3.67 35.93 77.00 -4.43 3 0 1000.00 -999 ? >VAL~D 24 36.26 72.22 -3.27 34.48 71.12 -2.54 35.37 71.67 -2.90 3 0 1000.00 -999 ? >GLU~D 25 40.12 68.78 -6.78 40.70 68.57 -8.81 40.41 68.68 -7.79 2 0 1000.00 -999 ? >MET~D 26 41.31 73.31 -4.57 41.15 76.74 -6.92 41.23 75.02 -5.74 2 0 1000.00 -999 ? >ILE~D 27 39.06 73.62 -0.23 39.25 74.78 0.67 39.16 74.20 0.22 3 0 1000.00 -999 ? >TYR~D 28 39.30 67.91 -0.27 37.00 67.04 1.08 38.15 67.47 0.40 3 0 1000.00 -999 ? >ARG~D 29 44.72 69.53 -5.96 44.93 66.74 -7.24 44.82 68.14 -6.60 2 0 1000.00 -999 ? >LEU~D 30 44.27 74.55 -0.09 44.60 76.56 0.58 44.44 75.55 0.25 3 0 1000.00 -999 ? >THR~D 31 44.85 71.57 3.19 42.75 71.17 3.50 43.80 71.37 3.35 2 0 1000.00 -999 ? >GLU~D 32 46.08 66.86 1.06 45.10 66.43 -0.80 45.59 66.65 0.13 2 0 1000.00 -999 ? >VAL~D 33 50.23 70.91 3.38 51.24 72.70 2.54 50.73 71.80 2.96 3 0 1000.00 -999 ? >PHE~D 34 46.41 73.18 6.39 45.12 75.39 5.32 45.76 74.28 5.85 3 0 1000.00 -999 ? >PRO~D 35 50.24 72.56 10.71 49.93 70.79 9.34 50.09 71.67 10.02 3 0 1000.00 -999 ? >ASP~D 36 49.91 65.47 10.35 51.14 65.13 8.63 50.52 65.30 9.49 2 0 1000.00 -999 ? >GLN~D 37 49.85 67.18 15.08 51.46 67.38 13.68 50.66 67.28 14.38 2 0 1000.00 -999 ? >GLU~D 38 45.90 72.82 12.53 44.22 73.15 13.75 45.06 72.98 13.14 2 0 1000.00 -999 ? >ARG~D 39 44.09 63.95 9.15 45.39 64.63 6.42 44.74 64.29 7.78 2 0 1000.00 -999 ? >TYR.D 40 41.06 65.55 13.36 42.36 63.24 12.47 41.71 64.39 12.91 3 0 1000.00 -999 ? >GLY~D 41 41.08 70.97 12.65 40.25 71.21 12.64 40.66 71.09 12.64 1 0 1000.00 -999 ? >LEU~D 42 41.92 74.92 10.02 41.60 76.94 9.44 41.76 75.93 9.73 3 0 1000.00 -999 ? >THR~D 43 41.32 71.19 7.82 43.03 69.93 7.31 42.17 70.56 7.56 2 0 1000.00 -999 ? >ALA~D 44 37.99 69.60 8.72 37.70 68.85 10.03 37.84 69.22 9.38 2 0 1000.00 -999 ? >GLN~D 45 35.98 73.88 11.46 36.80 74.97 13.13 36.39 74.42 12.29 2 0 1000.00 -999 ? >LEU~D 46 38.94 74.36 5.17 40.29 76.06 5.10 39.62 75.21 5.13 3 0 1000.00 -999 ? >ARG~D 47 39.05 68.14 3.86 41.56 66.44 3.46 40.30 67.29 3.66 2 0 1000.00 -999 ? >ARG~D 48 30.59 71.46 8.54 29.60 74.29 7.68 30.10 72.87 8.11 2 0 1000.00 -999 ? >ALA~D 49 32.36 74.51 4.43 33.22 75.71 4.80 32.79 75.11 4.62 2 0 1000.00 -999 ? >ALA~D 50 33.60 73.69 0.93 35.03 73.24 0.60 34.32 73.47 0.77 2 0 1000.00 -999 ? >VAL~D 51 31.57 70.48 0.52 31.74 68.36 1.10 31.65 69.42 0.81 3 0 1000.00 -999 ? >SER~D 52 28.47 72.37 1.55 27.11 73.61 3.06 27.79 72.99 2.31 2 0 1000.00 -999 ? >ILE~D 53 29.65 75.72 -1.80 30.41 76.82 -1.80 30.03 76.27 -1.80 3 0 1000.00 -999 ? >PRO~D 54 30.16 71.48 -3.96 28.31 72.75 -3.83 29.23 72.11 -3.90 3 0 1000.00 -999 ? >SER~D 55 25.93 70.03 -2.10 27.47 68.60 -0.91 26.70 69.32 -1.50 2 0 1000.00 -999 ? >ASN~D 56 23.56 73.97 -0.49 23.36 73.38 1.55 23.46 73.68 0.53 2 0 1000.00 -999 ? >ILE~D 57 24.63 74.39 -6.03 25.43 75.21 -6.74 25.03 74.80 -6.39 3 0 1000.00 -999 ? >ALA~D 58 22.53 70.39 -6.15 23.42 69.16 -6.01 22.98 69.77 -6.08 2 0 1000.00 -999 ? >GLU~D 59 20.21 68.82 -1.35 18.75 67.45 -2.01 19.48 68.13 -1.68 2 0 1000.00 -999 ? >GLY~D 60 18.26 73.49 -4.50 18.40 72.79 -4.94 18.33 73.14 -4.72 1 0 1000.00 -999 ? >ALA~D 61 18.08 72.41 -8.17 19.32 72.15 -9.02 18.70 72.28 -8.59 2 0 1000.00 -999 ? >ALA~D 62 16.21 69.21 -7.24 16.81 68.05 -6.44 16.51 68.63 -6.84 2 0 1000.00 -999 ? >ARG~D 63 13.87 70.72 -2.26 12.95 71.18 0.68 13.41 70.95 -0.79 2 0 1000.00 -999 ? >ARG.D 64 7.18 70.02 -8.78 6.44 69.02 -5.94 6.81 69.52 -7.36 2 0 1000.00 -999 ? >SER~D 65 9.91 75.16 -5.29 9.71 76.42 -3.22 9.81 75.79 -4.25 2 0 1000.00 -999 ? >THR~D 66 11.80 78.15 -6.71 11.67 79.25 -8.58 11.73 78.70 -7.64 2 0 1000.00 -999 ? >PRO~D 67 9.49 79.96 -3.33 11.63 79.75 -4.02 10.56 79.86 -3.67 3 0 1000.00 -999 ? >ASP~D 68 12.45 75.59 -1.47 10.76 75.61 -0.18 11.60 75.60 -0.82 2 0 1000.00 -999 ? >TYR~D 69 16.52 76.55 -6.85 18.59 76.28 -8.72 17.56 76.41 -7.78 3 0 1000.00 -999 ? >SER~D 70 16.80 80.28 -3.68 16.31 82.29 -4.83 16.56 81.29 -4.26 2 0 1000.00 -999 ? >ARG~D 71 16.48 79.70 3.02 16.94 80.74 5.85 16.71 80.22 4.43 2 0 1000.00 -999 ? >PHE~D 72 18.49 74.25 -0.63 17.39 72.18 0.88 17.94 73.21 0.12 3 0 1000.00 -999 ? >LEU~D 73 20.90 79.68 -4.17 21.20 78.69 -6.13 21.05 79.19 -5.15 3 0 1000.00 -999 ? >SER~D 74 21.58 81.44 0.16 20.00 83.26 0.34 20.79 82.35 0.25 2 0 1000.00 -999 ? >ILE~D 75 22.18 77.30 2.79 21.54 76.40 3.67 21.86 76.85 3.23 3 0 1000.00 -999 ? >ALA~D 76 25.57 77.83 -0.28 25.29 77.42 -1.71 25.43 77.63 -1.00 2 0 1000.00 -999 ? >ARG~D 77 25.67 84.54 -2.37 24.36 87.24 -1.82 25.01 85.89 -2.10 2 0 1000.00 -999 ? >GLY~D 78 26.76 81.57 3.54 27.14 81.07 2.97 26.95 81.32 3.25 1 0 1000.00 -999 ? >SER~D 79 29.04 78.52 3.38 27.57 76.61 3.54 28.31 77.57 3.46 2 0 1000.00 -999 ? >LEU~D 80 30.77 80.76 -0.65 32.04 81.21 -2.38 31.41 80.99 -1.52 3 0 1000.00 -999 ? >SER~D 81 31.54 83.21 2.98 30.71 85.28 3.98 31.12 84.25 3.48 2 0 1000.00 -999 ? >GLU~D 82 32.05 78.92 7.58 31.15 76.99 7.87 31.60 77.95 7.72 2 0 1000.00 -999 ? >LEU~D 83 34.72 78.58 2.26 35.93 77.17 1.15 35.32 77.87 1.70 3 0 1000.00 -999 ? >ASP~D 84 35.81 83.73 2.08 36.97 85.46 1.81 36.39 84.59 1.94 2 0 1000.00 -999 ? >THR~D 85 37.09 83.48 6.41 35.90 84.23 8.09 36.49 83.85 7.25 2 0 1000.00 -999 ? >GLN~D 86 36.94 78.68 8.41 35.34 77.33 8.18 36.14 78.00 8.30 2 0 1000.00 -999 ? >VAL~D 87 40.96 80.43 4.18 40.89 80.15 1.98 40.93 80.29 3.08 3 0 1000.00 -999 ? >GLN~D 88 40.62 85.63 4.36 39.40 87.38 4.55 40.01 86.50 4.46 2 0 1000.00 -999 ? >ILE~D 89 41.63 81.36 9.84 40.90 81.16 11.11 41.27 81.26 10.48 3 0 1000.00 -999 ? >ALA~D 90 44.85 79.49 7.30 44.39 78.56 6.20 44.62 79.02 6.75 2 0 1000.00 -999 ? >ALA~D 91 46.88 82.24 5.63 46.35 83.19 4.57 46.61 82.71 5.10 2 0 1000.00 -999 ? >ARG~D 92 44.68 86.95 9.99 42.75 89.34 10.22 43.72 88.15 10.11 2 0 1000.00 -999 ? >LEU~D 93 47.54 80.01 11.09 46.11 80.05 12.72 46.83 80.03 11.90 3 0 1000.00 -999 ? >GLY.D 94 51.13 80.48 7.97 50.47 80.01 8.03 50.79 80.24 8.00 1 0 1000.00 -999 ? >TYR.D 95 48.05 76.43 8.88 47.86 75.83 11.61 47.95 76.13 10.24 3 0 1000.00 -999 ? >SER.D 96 49.28 77.89 3.17 47.60 79.60 3.10 48.44 78.74 3.14 2 0 1000.00 -999 ? >ARG~D 97 52.79 75.96 -1.96 52.38 72.89 -1.98 52.58 74.43 -1.97 2 0 1000.00 -999 ? >SER~D 98 50.90 82.58 -0.76 52.43 84.24 0.11 51.67 83.41 -0.33 2 0 1000.00 -999 ? >GLU~D 99 52.63 81.49 -5.24 52.79 83.57 -5.73 52.71 82.53 -5.49 2 0 1000.00 -999 ? >ASP~D 100 48.06 77.68 -2.35 49.08 76.18 -3.42 48.57 76.93 -2.88 2 0 1000.00 -999 ? >ASP~D 101 46.69 82.28 0.14 45.37 83.74 0.94 46.03 83.01 0.54 2 0 1000.00 -999 ? >GLN~D 102 47.46 85.68 -4.10 49.43 86.42 -4.63 48.45 86.05 -4.36 2 0 1000.00 -999 ? >SER~D 103 44.55 80.91 -6.36 46.42 79.85 -7.44 45.49 80.38 -6.90 2 0 1000.00 -999 ? >VAL~D 104 41.84 80.09 -3.83 41.72 78.69 -2.14 41.78 79.39 -2.98 3 0 1000.00 -999 ? >ARG~D 105 43.55 85.68 -1.30 45.05 88.36 -1.77 44.30 87.02 -1.54 2 0 1000.00 -999 ? >ARG~D 106 43.08 85.80 -9.21 45.52 83.90 -9.33 44.30 84.85 -9.27 2 0 1000.00 -999 ? >GLN~D 107 37.68 78.45 -7.39 37.45 78.32 -9.51 37.57 78.38 -8.45 2 0 1000.00 -999 ? >VAL~D 108 36.15 82.25 -4.28 36.37 82.25 -2.07 36.26 82.25 -3.17 3 0 1000.00 -999 ? >ASP~D 109 36.44 86.59 -6.51 37.45 87.53 -4.88 36.95 87.06 -5.69 2 0 1000.00 -999 ? >LEU~D 110 35.38 82.56 -9.98 34.92 81.75 -11.99 35.15 82.16 -10.99 3 0 1000.00 -999 ? >VAL~D 111 31.98 81.34 -7.28 32.19 79.33 -6.35 32.09 80.33 -6.82 3 0 1000.00 -999 ? >PHE~D 112 30.43 86.64 -4.29 28.76 88.76 -3.41 29.59 87.70 -3.85 3 0 1000.00 -999 ? >ALA~D 113 29.72 85.97 -8.88 30.72 86.51 -9.91 30.22 86.24 -9.40 2 0 1000.00 -999 ? >LYS~D 114 28.32 82.71 -10.39 31.69 81.34 -14.30 30.01 82.03 -12.34 2 0 1000.00 -999 ? >LEU~D 115 26.68 81.66 -5.99 26.18 79.87 -4.86 26.43 80.77 -5.42 3 0 1000.00 -999 ? >THR~D 116 24.92 85.57 -7.29 25.74 87.28 -6.25 25.33 86.42 -6.77 2 0 1000.00 -999 ? >ALA~D 117 24.10 85.57 -11.03 25.08 85.35 -12.17 24.59 85.46 -11.60 2 0 1000.00 -999 ? >LEU~D 118 22.77 80.95 -10.09 21.76 79.00 -10.36 22.27 79.98 -10.23 3 0 1000.00 -999 ? >MET~D 119 20.32 83.70 -7.52 22.48 83.55 -3.86 21.40 83.63 -5.69 2 0 1000.00 -999 ? >ASN~D 120 20.28 87.84 -10.14 21.26 88.92 -8.55 20.77 88.38 -9.34 2 0 1000.00 -999 ? >ALA~D 121 18.37 84.53 -12.56 19.29 83.52 -13.22 18.83 84.02 -12.89 2 0 1000.00 -999 ? >LEU~D 122 15.31 82.22 -9.84 16.53 81.14 -8.45 15.92 81.68 -9.15 3 0 1000.00 -999 ? >ARG~D 123 13.35 87.60 -12.54 12.14 84.76 -12.49 12.75 86.18 -12.52 2 0 1000.00 -999 ? >PRO~E 10 31.57 90.78 2.09 32.22 92.62 3.28 31.90 91.70 2.68 3 0 1000.00 -999 ? >HIS~E 11 31.84 89.07 6.31 32.88 87.81 5.01 32.36 88.44 5.66 3 0 1000.00 -999 ? >GLU~E 12 35.92 90.44 5.11 37.36 89.80 3.69 36.64 90.12 4.40 2 0 1000.00 -999 ? >ARG~E 13 33.85 98.13 4.61 34.35 97.00 1.79 34.10 97.57 3.20 2 0 1000.00 -999 ? >LEU~E 14 31.82 93.64 11.13 29.77 93.40 10.45 30.80 93.52 10.79 3 0 1000.00 -999 ? >ASP~E 15 34.66 96.24 15.22 35.27 98.11 14.45 34.96 97.17 14.83 2 0 1000.00 -999 ? >ALA~E 16 33.40 91.91 15.72 31.97 91.50 15.88 32.68 91.71 15.80 2 0 1000.00 -999 ? >TRP~E 17 34.48 87.94 10.11 37.81 88.97 8.29 36.14 88.46 9.20 3 0 1000.00 -999 ? >ARG~E 18 38.94 95.44 11.31 37.51 97.62 9.68 38.22 96.53 10.50 2 0 1000.00 -999 ? >ASP~E 19 37.80 92.18 17.59 38.19 94.29 17.48 37.99 93.24 17.54 2 0 1000.00 -999 ? >SER~E 20 37.33 87.74 16.24 34.94 87.55 16.27 36.14 87.64 16.25 2 0 1000.00 -999 ? >MET~E 21 40.09 87.09 13.70 39.10 85.61 10.77 39.60 86.35 12.24 2 0 1000.00 -999 ? >GLU~E 22 44.18 90.16 17.39 45.95 90.15 16.20 45.07 90.16 16.80 2 0 1000.00 -999 ? >LEU~E 23 39.97 86.19 19.42 39.28 85.38 21.32 39.62 85.79 20.37 3 0 1000.00 -999 ? >VAL~E 24 41.81 83.15 16.56 40.84 82.25 14.76 41.32 82.70 15.66 3 0 1000.00 -999 ? >GLU~E 25 45.82 85.32 13.88 46.53 87.10 12.94 46.17 86.21 13.41 2 0 1000.00 -999 ? >MET~E 26 45.84 84.53 19.82 44.64 88.05 21.66 45.24 86.29 20.74 2 0 1000.00 -999 ? >ILE~E 27 42.67 80.84 20.47 42.07 80.37 21.77 42.37 80.61 21.12 3 0 1000.00 -999 ? >TYR~E 28 45.38 78.55 15.92 43.55 76.86 14.67 44.46 77.70 15.30 3 0 1000.00 -999 ? >ARG~E 29 50.92 84.21 18.18 49.11 86.74 18.48 50.02 85.48 18.33 2 0 1000.00 -999 ? >LEU~E 30 46.99 80.66 23.84 46.33 80.94 25.89 46.66 80.80 24.86 3 0 1000.00 -999 ? >THR~E 31 47.63 76.50 22.53 45.66 76.41 21.69 46.65 76.46 22.11 2 0 1000.00 -999 ? >GLU~E 32 51.84 76.99 18.46 53.13 78.49 17.71 52.48 77.74 18.09 2 0 1000.00 -999 ? >VAL~E 33 52.49 75.27 24.02 53.17 77.28 24.68 52.83 76.27 24.35 3 0 1000.00 -999 ? >PHE~E 34 47.36 74.09 25.56 45.64 76.07 26.56 46.50 75.08 26.06 3 0 1000.00 -999 ? >PRO~E 35 49.80 69.90 28.50 50.41 70.13 26.36 50.10 70.02 27.43 3 0 1000.00 -999 ? >ASP~E 36 52.04 66.37 22.72 53.43 67.49 21.54 52.74 66.93 22.13 2 0 1000.00 -999 ? >GLN~E 37 49.32 65.26 27.52 51.46 65.41 27.56 50.39 65.34 27.54 2 0 1000.00 -999 ? >GLU~E 38 45.12 68.20 27.08 43.17 67.34 27.13 44.14 67.77 27.10 2 0 1000.00 -999 ? >ARG~E 39 48.27 68.88 18.36 46.40 70.75 16.76 47.34 69.81 17.56 2 0 1000.00 -999 ? >TYR.E 40 44.04 65.00 18.15 46.09 64.64 16.29 45.07 64.82 17.22 3 0 1000.00 -999 ? >GLY~E 41 42.09 67.51 22.78 41.31 67.78 22.55 41.70 67.64 22.67 1 0 1000.00 -999 ? >LEU~E 42 42.19 71.03 26.09 41.77 72.76 27.42 41.98 71.89 26.75 3 0 1000.00 -999 ? >THR~E 43 43.74 72.33 22.16 45.85 72.26 21.81 44.79 72.29 21.98 2 0 1000.00 -999 ? >ALA~E 44 41.58 71.35 19.16 41.45 69.92 18.62 41.52 70.64 18.89 2 0 1000.00 -999 ? >GLN~E 45 36.21 71.26 22.16 35.54 70.09 20.50 35.87 70.67 21.33 2 0 1000.00 -999 ? >LEU~E 46 40.89 75.75 22.69 40.97 76.73 24.61 40.93 76.24 23.65 3 0 1000.00 -999 ? >ARG~E 47 44.45 74.81 17.61 47.50 74.83 17.14 45.98 74.82 17.37 2 0 1000.00 -999 ? >ARG~E 48 35.54 71.65 16.66 35.39 70.65 13.76 35.47 71.15 15.21 2 0 1000.00 -999 ? >ALA~E 49 35.65 77.30 19.01 35.67 77.28 20.55 35.66 77.29 19.78 2 0 1000.00 -999 ? >ALA~E 50 37.68 80.38 18.07 39.13 80.68 18.43 38.41 80.53 18.25 2 0 1000.00 -999 ? >VAL~E 51 37.60 79.65 14.32 38.62 78.21 12.97 38.11 78.93 13.65 3 0 1000.00 -999 ? >SER~E 52 33.81 79.29 14.52 33.04 78.67 16.76 33.42 78.98 15.64 2 0 1000.00 -999 ? >ILE~E 53 34.04 83.47 17.05 34.25 83.92 18.37 34.15 83.70 17.71 3 0 1000.00 -999 ? >PRO~E 54 36.63 84.05 13.19 34.40 84.45 13.38 35.51 84.25 13.29 3 0 1000.00 -999 ? >SER~E 55 33.06 81.95 10.60 34.74 80.23 10.50 33.90 81.09 10.55 2 0 1000.00 -999 ? >ASN~E 56 29.05 81.93 13.34 28.82 79.83 13.44 28.93 80.88 13.39 2 0 1000.00 -999 ? >ILE~E 57 30.81 87.09 12.30 31.30 88.06 13.13 31.05 87.57 12.71 3 0 1000.00 -999 ? >ALA~E 58 30.74 85.79 8.06 32.06 85.25 7.56 31.40 85.52 7.81 2 0 1000.00 -999 ? >GLU~E 59 26.94 80.81 7.32 27.27 78.74 7.48 27.11 79.78 7.40 2 0 1000.00 -999 ? >GLY~E 60 25.33 85.09 8.98 25.87 85.36 8.42 25.60 85.23 8.70 1 0 1000.00 -999 ? >ALA~E 61 26.28 88.37 7.29 27.58 89.08 7.51 26.93 88.73 7.40 2 0 1000.00 -999 ? >ALA~E 62 26.33 86.74 3.84 27.34 85.73 3.37 26.83 86.24 3.60 2 0 1000.00 -999 ? >ARG.E 63 22.24 82.47 5.06 21.22 79.91 6.42 21.73 81.19 5.74 2 0 1000.00 -999 ? >ARG.E 64 18.19 85.81 0.67 16.60 87.93 -0.86 17.40 86.87 -0.10 2 0 1000.00 -999 ? >SER~E 65 17.78 87.59 5.98 17.95 85.22 6.51 17.87 86.40 6.24 2 0 1000.00 -999 ? >THR~E 66 18.03 89.43 9.32 17.74 91.52 9.96 17.88 90.48 9.64 2 0 1000.00 -999 ? >PRO~E 67 14.49 86.82 10.07 16.58 87.09 10.86 15.54 86.96 10.46 3 0 1000.00 -999 ? >ASP~E 68 19.49 83.68 8.78 18.02 82.19 8.38 18.76 82.93 8.58 2 0 1000.00 -999 ? >TYR~E 69 23.24 89.14 10.35 25.66 90.53 10.20 24.45 89.83 10.27 3 0 1000.00 -999 ? >SER~E 70 20.82 87.09 14.53 19.41 89.02 14.93 20.12 88.06 14.73 2 0 1000.00 -999 ? >ARG~E 71 19.11 79.97 13.63 20.25 79.25 10.88 19.68 79.61 12.25 2 0 1000.00 -999 ? >PHE~E 72 24.62 82.11 11.28 23.96 79.96 9.60 24.29 81.03 10.44 3 0 1000.00 -999 ? >LEU~E 73 25.21 87.36 15.87 26.07 88.79 14.45 25.64 88.07 15.16 3 0 1000.00 -999 ? >SER~E 74 24.09 83.98 18.84 21.88 84.93 19.01 22.98 84.46 18.93 2 0 1000.00 -999 ? >ILE~E 75 25.83 79.92 16.69 25.42 78.85 15.87 25.63 79.38 16.28 3 0 1000.00 -999 ? >ALA~E 76 29.13 82.91 17.65 29.25 84.16 16.79 29.19 83.53 17.22 2 0 1000.00 -999 ? >ARG~E 77 26.78 86.37 23.51 24.69 88.20 24.68 25.74 87.29 24.10 2 0 1000.00 -999 ? >GLY~E 78 27.83 80.76 22.52 28.52 81.10 22.16 28.17 80.93 22.34 1 0 1000.00 -999 ? >SER~E 79 31.19 79.53 21.24 30.44 78.99 19.01 30.81 79.26 20.12 2 0 1000.00 -999 ? >LEU~E 80 32.49 84.10 22.35 33.92 85.79 22.59 33.20 84.94 22.47 3 0 1000.00 -999 ? >SER~E 81 31.53 81.72 26.15 29.25 82.60 26.03 30.39 82.16 26.09 2 0 1000.00 -999 ? >GLU~E 82 30.68 76.69 24.93 29.75 75.56 23.39 30.22 76.13 24.16 2 0 1000.00 -999 ? >LEU~E 83 36.40 80.11 23.36 38.10 81.30 22.67 37.25 80.71 23.01 3 0 1000.00 -999 ? >ASP~E 84 35.35 82.83 27.93 36.09 83.96 29.59 35.72 83.40 28.76 2 0 1000.00 -999 ? >THR~E 85 35.58 78.95 30.12 33.68 77.86 30.00 34.63 78.41 30.06 2 0 1000.00 -999 ? >GLN~E 86 36.84 74.96 26.72 36.33 74.46 24.72 36.58 74.71 25.72 2 0 1000.00 -999 ? >VAL~E 87 40.72 79.26 28.50 41.26 81.07 27.40 40.99 80.16 27.95 3 0 1000.00 -999 ? >GLN~E 88 39.39 81.47 33.83 40.85 81.19 35.39 40.12 81.33 34.61 2 0 1000.00 -999 ? >ILE~E 89 39.17 74.75 32.11 38.66 74.02 33.27 38.91 74.38 32.69 3 0 1000.00 -999 ? >ALA~E 90 43.50 75.72 30.83 43.70 76.22 29.41 43.60 75.97 30.12 2 0 1000.00 -999 ? >ALA~E 91 44.79 78.34 33.29 44.16 79.72 33.54 44.47 79.03 33.41 2 0 1000.00 -999 ? >ARG~E 92 40.66 77.89 37.34 37.93 78.24 38.72 39.29 78.06 38.03 2 0 1000.00 -999 ? >LEU~E 93 44.78 72.41 33.54 43.11 70.99 33.26 43.94 71.70 33.40 3 0 1000.00 -999 ? >GLY~E 94 48.63 75.01 34.49 48.22 74.91 33.81 48.43 74.96 34.15 1 0 1000.00 -999 ? >TYR.E 95 47.34 73.03 30.14 46.56 70.40 30.76 46.95 71.72 30.45 3 0 1000.00 -999 ? >SER.E 96 49.34 78.85 30.21 47.16 79.83 30.69 48.25 79.34 30.45 2 0 1000.00 -999 ? >ARG~E 97 54.75 82.02 29.18 56.80 82.74 31.35 55.78 82.38 30.27 2 0 1000.00 -999 ? >SER~E 98 49.60 84.44 33.34 49.88 83.88 35.65 49.74 84.16 34.50 2 0 1000.00 -999 ? >GLU~E 99 52.54 87.27 29.31 54.66 87.02 29.26 53.60 87.15 29.29 2 0 1000.00 -999 ? >ASP~E 100 49.89 83.93 27.56 51.94 84.08 27.01 50.92 84.01 27.29 2 0 1000.00 -999 ? >ASP~E 101 45.97 83.62 31.14 44.01 83.39 31.87 44.99 83.51 31.50 2 0 1000.00 -999 ? >GLN~E 102 45.52 89.92 32.33 44.82 88.77 34.00 45.17 89.35 33.17 2 0 1000.00 -999 ? >SER~E 103 45.73 89.17 26.92 48.14 88.73 26.70 46.93 88.95 26.81 2 0 1000.00 -999 ? >VAL~E 104 43.17 86.63 25.65 43.84 84.52 25.91 43.51 85.57 25.78 3 0 1000.00 -999 ? >ARG~E 105 41.27 86.36 32.24 38.81 86.12 34.10 40.04 86.24 33.17 2 0 1000.00 -999 ? >ARG~E 106 43.76 93.06 29.39 46.76 92.62 28.78 45.26 92.84 29.09 2 0 1000.00 -999 ? >GLN~E 107 41.05 89.17 21.52 41.30 90.97 20.42 41.17 90.07 20.97 2 0 1000.00 -999 ? >VAL~E 108 37.39 88.00 24.75 37.07 86.04 25.68 37.23 87.02 25.21 3 0 1000.00 -999 ? >ASP~E 109 36.63 91.82 27.63 36.92 90.68 29.42 36.78 91.25 28.52 2 0 1000.00 -999 ? >LEU~E 110 37.88 93.27 22.63 38.26 94.84 21.16 38.07 94.06 21.90 3 0 1000.00 -999 ? >VAL~E 111 34.81 90.50 20.95 35.53 88.78 19.80 35.17 89.64 20.37 3 0 1000.00 -999 ? >PHE~E 112 30.87 89.15 25.48 28.56 88.00 26.57 29.72 88.58 26.02 3 0 1000.00 -999 ? >ALA~E 113 31.18 93.90 23.49 32.06 95.00 24.11 31.62 94.45 23.80 2 0 1000.00 -999 ? >LYS~E 114 31.45 94.15 19.69 35.10 97.99 18.21 33.28 96.07 18.95 2 0 1000.00 -999 ? >LEU~E 115 29.48 89.66 19.74 29.94 87.87 18.59 29.71 88.77 19.16 3 0 1000.00 -999 ? >THR~E 116 26.62 92.45 21.66 26.42 92.41 23.83 26.52 92.43 22.75 2 0 1000.00 -999 ? >ALA~E 117 26.65 95.78 19.79 27.79 96.79 19.82 27.22 96.28 19.81 2 0 1000.00 -999 ? >LEU~E 118 26.77 92.94 15.81 28.00 93.48 14.06 27.39 93.21 14.94 3 0 1000.00 -999 ? >MET~E 119 23.07 91.79 18.19 25.04 88.57 19.76 24.06 90.18 18.98 2 0 1000.00 -999 ? >ASN.E 120 22.13 96.05 20.12 22.27 95.30 22.13 22.20 95.68 21.12 2 0 1000.00 -999 ? >ALA.E 121 21.09 96.65 15.65 22.21 96.73 14.62 21.65 96.69 15.14 2 0 1000.00 -999 ?