REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-FEB-05 1YZY COMPND HYPOTHETICAL PROTEIN HI1011; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; SOURCE 3 ORGANISM_TAXID: 727; SOURCE 4 GENE: HI1011; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET AUTHOR Y.PATSKOVSKY,S.C.ALMO,S.K.BURLEY,NEW YORK SGX RESEARCH AUTHOR 2 CENTER FOR STRUCTURAL GENOMICS (NYSGXRC) >LEU.A 1 38.79 41.23 75.39 38.31 40.38 77.36 38.55 40.81 76.37 3 0 1000.00 -999 ? >GLY^A 2 36.47 37.95 73.00 36.72 37.90 73.79 36.60 37.92 73.39 1 0 1000.00 -999 ? >VAL^A 3 33.78 36.97 75.48 33.19 38.17 77.20 33.49 37.57 76.34 3 0 1000.00 -999 ? >ILE^A 4 32.32 32.57 74.49 32.66 31.60 73.49 32.49 32.09 73.99 3 0 1000.00 -999 ? >ALA^A 5 28.60 34.05 77.18 27.94 35.38 77.46 28.27 34.72 77.32 2 0 1000.00 -999 ? >ASP.A 6 26.68 30.00 78.91 26.20 30.40 80.95 26.44 30.20 79.93 2 0 1000.00 -999 ? >ASP~A 7 22.46 32.87 79.63 22.86 34.27 81.15 22.66 33.57 80.39 2 0 1000.00 -999 ? >PHE~A 8 20.00 38.19 76.21 19.74 40.79 75.26 19.87 39.49 75.74 3 0 1000.00 -999 ? >THR~A 9 21.31 38.24 80.81 19.77 37.98 82.29 20.54 38.11 81.55 2 0 1000.00 -999 ? >GLY~A 10 24.92 37.28 81.56 24.63 37.65 80.88 24.77 37.47 81.22 1 0 1000.00 -999 ? >ALA~A 11 26.15 38.56 78.20 25.70 38.10 76.82 25.92 38.33 77.51 2 0 1000.00 -999 ? >SER~A 12 24.43 41.91 78.79 22.20 41.89 77.80 23.32 41.90 78.30 2 0 1000.00 -999 ? >ASP~A 13 25.49 40.90 83.39 25.93 41.50 85.36 25.71 41.20 84.37 2 0 1000.00 -999 ? >ILE~A 14 30.15 40.10 81.24 31.16 39.32 80.53 30.65 39.71 80.88 3 0 1000.00 -999 ? >ALA~A 15 29.20 43.71 78.57 28.21 43.56 77.42 28.71 43.64 78.00 2 0 1000.00 -999 ? >SER~A 16 28.01 46.59 80.77 25.69 47.29 80.98 26.85 46.94 80.87 2 0 1000.00 -999 ? >PHE~A 17 30.42 44.41 85.27 29.24 44.40 87.81 29.83 44.40 86.54 3 0 1000.00 -999 ? >LEU~A 18 33.49 45.05 79.17 34.22 43.01 79.17 33.86 44.03 79.17 3 0 1000.00 -999 ? >VAL~A 19 32.10 49.36 79.38 30.57 50.00 77.92 31.34 49.68 78.65 3 0 1000.00 -999 ? >GLU~A 20 29.31 50.47 83.61 28.94 52.54 83.32 29.13 51.51 83.46 2 0 1000.00 -999 ? >ASN.A 21 35.76 48.53 83.76 35.02 48.32 85.75 35.39 48.43 84.75 2 0 1000.00 -999 ? >GLY.A 22 36.65 51.76 80.08 36.39 51.13 79.98 36.52 51.44 80.03 1 0 1000.00 -999 ? >LEU.A 23 36.65 47.68 77.61 38.61 46.81 77.97 37.63 47.24 77.79 3 0 1000.00 -999 ? >SER.A 24 34.65 49.82 73.97 36.33 49.94 72.17 35.49 49.88 73.07 2 0 1000.00 -999 ? >THR^A 25 32.28 46.84 73.64 32.02 45.67 75.47 32.15 46.25 74.55 2 0 1000.00 -999 ? >VAL^A 26 30.08 45.18 70.99 30.27 45.41 68.83 30.17 45.29 69.91 3 0 1000.00 -999 ? >GLN^A 27 25.94 41.49 73.74 24.47 41.81 75.24 25.21 41.65 74.49 2 0 1000.00 -999 ? >MET^A 28 26.51 40.17 69.27 27.58 41.84 66.78 27.05 41.00 68.03 2 0 1000.00 -999 ? >ASN^A 29 21.99 38.67 69.97 21.88 40.45 71.15 21.93 39.56 70.56 2 0 1000.00 -999 ? >GLY.A 30 24.27 34.66 68.45 24.83 35.32 68.46 24.55 34.99 68.45 1 0 1000.00 -999 ? >VAL.A 31 27.27 33.83 66.24 28.66 32.15 66.16 27.97 32.99 66.20 3 0 1000.00 -999 ? >PRO.A 32 28.30 37.78 65.19 27.52 36.06 64.02 27.91 36.92 64.60 3 0 1000.00 -999 ? >THR.A 33 27.47 35.45 59.74 25.42 34.89 59.28 26.45 35.17 59.51 2 0 1000.00 -999 ? >GLN.A 34 27.19 39.42 57.04 28.15 39.00 55.18 27.67 39.21 56.11 2 0 1000.00 -999 ? >SER.A 35 32.42 40.29 59.76 33.98 39.41 58.09 33.20 39.85 58.93 2 0 1000.00 -999 ? >LEU.A 36 32.84 42.99 63.73 31.89 44.15 65.28 32.36 43.57 64.51 3 0 1000.00 -999 ? >ASN.A 37 32.70 46.88 59.16 33.80 47.93 57.65 33.25 47.40 58.40 2 0 1000.00 -999 ? >SER.A 38 34.13 48.03 63.59 32.98 49.64 64.98 33.56 48.84 64.28 2 0 1000.00 -999 ? >LYS.A 39 37.27 48.21 65.76 41.20 46.21 63.03 39.24 47.21 64.40 2 0 1000.00 -999 ? >VAL.A 40 36.43 47.71 69.46 34.37 46.99 69.29 35.40 47.35 69.38 3 0 1000.00 -999 ? >ASP.A 41 38.35 47.44 73.89 39.13 49.36 73.51 38.74 48.40 73.70 2 0 1000.00 -999 ? >ALA^A 42 35.83 43.74 73.46 35.52 43.76 74.97 35.68 43.75 74.22 2 0 1000.00 -999 ? >ILE^A 43 33.54 41.15 70.24 33.50 41.25 68.81 33.52 41.20 69.53 3 0 1000.00 -999 ? >VAL^A 44 30.71 39.60 73.63 30.07 40.09 75.66 30.39 39.84 74.65 3 0 1000.00 -999 ? >ILE^A 45 29.43 35.78 70.89 29.58 35.25 69.51 29.51 35.52 70.20 3 0 1000.00 -999 ? >SER^A 46 25.50 35.87 73.59 23.10 36.36 73.79 24.30 36.12 73.69 2 0 1000.00 -999 ? >LEU.A 47 25.55 31.16 73.32 27.17 30.78 71.91 26.36 30.97 72.62 3 0 1000.00 -999 ? >LYS.A 48 21.73 29.95 74.77 17.25 32.87 72.58 19.49 31.41 73.67 2 0 1000.00 -999 ? >SER.A 49 24.20 27.33 75.97 26.24 28.56 75.64 25.22 27.94 75.81 2 0 1000.00 -999 ? >ARG.A 50 22.06 28.67 82.98 23.91 31.14 83.02 22.98 29.90 83.00 2 0 1000.00 -999 ? >SER.A 51 21.64 23.84 79.72 19.60 24.82 80.65 20.62 24.33 80.19 2 0 1000.00 -999 ? >ASN.A 52 21.24 23.79 74.89 23.26 24.31 74.49 22.25 24.05 74.69 2 0 1000.00 -999 ? >PRO~A 53 20.50 19.34 73.42 22.04 20.13 74.80 21.27 19.73 74.11 3 0 1000.00 -999 ? >VAL~A 54 26.17 19.41 75.51 27.51 17.90 76.36 26.84 18.65 75.93 3 0 1000.00 -999 ? >ASN~A 55 27.22 17.57 71.08 28.84 16.24 71.49 28.03 16.90 71.28 2 0 1000.00 -999 ? >GLU~A 56 23.01 21.37 69.94 20.96 21.58 70.38 21.99 21.48 70.16 2 0 1000.00 -999 ? >ALA~A 57 26.91 24.08 73.44 26.81 23.80 74.93 26.86 23.94 74.18 2 0 1000.00 -999 ? >ILE~A 58 30.88 21.37 72.51 31.81 20.36 73.02 31.34 20.87 72.77 3 0 1000.00 -999 ? >GLU~A 59 28.98 23.00 66.31 30.93 22.57 65.54 29.95 22.79 65.93 2 0 1000.00 -999 ? >GLN~A 60 25.77 26.38 69.41 24.03 26.26 70.64 24.90 26.32 70.02 2 0 1000.00 -999 ? >SER~A 61 31.03 27.93 71.61 30.31 27.36 73.88 30.67 27.65 72.75 2 0 1000.00 -999 ? >LEU~A 62 33.86 25.39 68.64 35.09 23.92 69.64 34.48 24.66 69.14 3 0 1000.00 -999 ? >ARG~A 63 28.79 26.98 64.77 26.14 28.49 65.14 27.46 27.73 64.95 2 0 1000.00 -999 ? >ALA~A 64 31.71 31.92 68.58 31.10 32.00 69.97 31.41 31.96 69.27 2 0 1000.00 -999 ? >TYR~A 65 37.56 30.13 69.49 40.26 29.96 68.76 38.91 30.05 69.12 3 0 1000.00 -999 ? >GLN~A 66 36.40 29.90 63.23 38.48 29.48 63.42 37.44 29.69 63.32 2 0 1000.00 -999 ? >TRP~A 67 32.03 35.95 62.92 32.03 39.12 65.24 32.03 37.53 64.08 3 0 1000.00 -999 ? >LEU~A 68 35.72 35.92 69.04 34.15 36.47 70.46 34.94 36.20 69.75 3 0 1000.00 -999 ? >LYS~A 69 39.24 34.99 66.37 43.46 32.48 64.30 41.35 33.74 65.33 2 0 1000.00 -999 ? >GLU~A 70 37.76 33.90 61.38 36.20 33.10 60.17 36.98 33.50 60.77 2 0 1000.00 -999 ? >ASN~A 71 36.06 39.65 64.22 34.91 39.53 62.41 35.49 39.59 63.32 2 0 1000.00 -999 ? >GLY.A 72 40.70 40.32 65.85 40.27 39.80 66.16 40.48 40.06 66.00 1 0 1000.00 -999 ? >CYH.A 73 40.23 38.85 69.33 37.50 39.27 69.87 38.87 39.06 69.60 2 0 1000.00 -999 ? >THR.A 74 43.44 37.56 70.96 44.86 39.17 70.54 44.15 38.37 70.75 2 0 1000.00 -999 ? >GLN.A 75 42.47 37.24 76.97 43.38 38.40 78.51 42.92 37.82 77.74 2 0 1000.00 -999 ? >PHE^A 76 39.44 33.63 73.08 40.38 34.20 70.51 39.91 33.92 71.80 3 0 1000.00 -999 ? >TYR^A 77 36.03 36.26 80.14 35.31 36.53 82.84 35.67 36.39 81.49 3 0 1000.00 -999 ? >PHE^A 78 33.31 29.55 79.03 31.11 27.86 79.42 32.21 28.71 79.22 3 0 1000.00 -999 ? >LYS^A 79 31.40 33.66 80.82 27.74 35.79 83.46 29.57 34.72 82.14 2 0 1000.00 -999 ? >TYR.A 80 30.66 30.05 83.88 33.11 29.73 85.18 31.89 29.89 84.53 3 0 1000.00 -999 ? >CYH.A 81 26.62 32.29 85.87 24.11 32.48 87.17 25.36 32.38 86.52 2 0 1000.00 -999 ? >SER.A 82 27.96 33.46 89.24 26.40 35.09 90.22 27.18 34.28 89.73 2 0 1000.00 -999 ? >THR.A 83 26.19 30.48 90.89 24.18 31.17 91.27 25.19 30.83 91.08 2 0 1000.00 -999 ? >PHE.A 84 30.20 26.70 88.90 32.44 25.52 87.69 31.32 26.11 88.30 3 0 1000.00 -999 ? >ASP.A 85 23.77 27.80 86.33 22.94 29.19 87.67 23.35 28.50 87.00 2 0 1000.00 -999 ? >SER.A 86 25.36 23.39 85.58 27.58 23.53 86.61 26.47 23.46 86.10 2 0 1000.00 -999 ? >THR.A 87 25.08 19.62 86.26 23.32 19.22 85.04 24.20 19.42 85.65 2 0 1000.00 -999 ? >ALA.A 88 27.46 16.65 85.98 27.22 15.25 86.50 27.34 15.95 86.24 2 0 1000.00 -999 ? >LYS.A 89 27.00 17.13 82.22 22.26 13.88 82.82 24.63 15.50 82.52 2 0 1000.00 -999 ? >GLY.A 90 26.78 20.90 82.85 27.38 20.39 82.49 27.08 20.65 82.67 1 0 1000.00 -999 ? >ASN~A 91 27.55 23.21 78.84 25.78 22.07 78.42 26.67 22.64 78.63 2 0 1000.00 -999 ? >ILE~A 92 30.74 25.05 83.31 30.65 26.04 84.34 30.69 25.54 83.82 3 0 1000.00 -999 ? >GLY~A 93 33.44 21.82 81.92 32.98 22.03 81.29 33.21 21.92 81.60 1 0 1000.00 -999 ? >PRO~A 94 31.01 19.31 79.36 32.79 20.61 79.11 31.90 19.96 79.23 3 0 1000.00 -999 ? >VAL~A 95 32.99 23.89 76.86 31.48 25.42 76.44 32.23 24.66 76.65 3 0 1000.00 -999 ? >THR~A 96 36.12 24.88 78.79 36.55 25.54 80.84 36.33 25.21 79.82 2 0 1000.00 -999 ? >ASP~A 97 37.39 20.29 77.98 37.94 19.85 79.96 37.67 20.07 78.97 2 0 1000.00 -999 ? >ALA~A 98 36.75 22.17 74.00 35.31 22.28 73.52 36.03 22.23 73.76 2 0 1000.00 -999 ? >LEU~A 99 37.47 26.86 75.03 35.71 28.03 74.54 36.59 27.45 74.78 3 0 1000.00 -999 ? >LEU~A 100 41.45 23.95 77.08 41.92 24.82 79.00 41.69 24.39 78.04 3 0 1000.00 -999 ? >ASP~A 101 40.80 20.90 72.81 40.79 19.43 74.31 40.79 20.17 73.56 2 0 1000.00 -999 ? >GLU~A 102 39.77 26.12 68.83 40.26 25.35 66.92 40.01 25.73 67.87 2 0 1000.00 -999 ? >LEU~A 103 43.13 27.77 72.85 42.18 29.72 72.81 42.66 28.74 72.83 3 0 1000.00 -999 ? >ASN~A 104 47.38 24.79 71.16 47.52 23.35 69.61 47.45 24.07 70.38 2 0 1000.00 -999 ? >GLU.A 105 46.00 27.99 75.41 47.92 28.71 75.86 46.96 28.35 75.63 2 0 1000.00 -999 ? >ASP.A 106 47.31 22.20 78.98 49.27 22.96 78.72 48.29 22.58 78.85 2 0 1000.00 -999 ? >PHE.A 107 46.52 26.11 84.20 46.10 26.71 86.90 46.31 26.41 85.55 3 0 1000.00 -999 ? >THR^A 108 42.83 28.18 82.88 40.79 28.19 82.06 41.81 28.19 82.47 2 0 1000.00 -999 ? >VAL^A 109 41.09 29.71 85.94 41.98 31.71 86.11 41.53 30.71 86.02 3 0 1000.00 -999 ? >ILE^A 110 37.16 27.92 87.70 36.44 26.71 87.53 36.80 27.32 87.61 3 0 1000.00 -999 ? >THR.A 111 35.83 32.15 89.24 36.93 34.03 89.49 36.38 33.09 89.37 2 0 1000.00 -999 ? >PRO.A 112 31.99 30.98 90.71 32.77 32.69 89.51 32.38 31.84 90.11 3 0 1000.00 -999 ? >ALA.A 113 32.96 35.58 92.14 34.05 35.32 93.19 33.50 35.45 92.67 2 0 1000.00 -999 ? >LEU~A 114 31.14 39.75 91.70 31.37 41.79 90.99 31.25 40.77 91.35 3 0 1000.00 -999 ? >PRO~A 115 34.42 39.03 96.34 32.35 39.65 95.86 33.39 39.34 96.10 3 0 1000.00 -999 ? >VAL~A 116 30.62 43.20 96.42 30.66 45.04 95.22 30.64 44.12 95.82 3 0 1000.00 -999 ? >ASN~A 117 27.39 41.64 93.31 27.38 43.61 92.48 27.39 42.62 92.89 2 0 1000.00 -999 ? >GLY.A 118 27.36 38.76 97.32 27.74 38.69 96.68 27.55 38.72 97.00 1 0 1000.00 -999 ? >ARG^A 119 26.97 34.88 93.67 24.03 35.63 94.14 25.50 35.25 93.90 2 0 1000.00 -999 ? >THR^A 120 32.24 34.97 97.42 31.74 36.01 99.25 31.99 35.49 98.33 2 0 1000.00 -999 ? >ILE^A 121 35.32 31.74 95.84 35.56 31.10 94.58 35.44 31.42 95.21 3 0 1000.00 -999 ? >PHE^A 122 37.13 31.16 102.72 39.23 30.79 104.55 38.18 30.97 103.63 3 0 1000.00 -999 ? >ASN.A 123 38.10 26.83 101.59 39.71 26.75 103.01 38.90 26.79 102.30 2 0 1000.00 -999 ? >GLY.A 124 36.96 26.94 96.83 36.51 27.14 97.48 36.74 27.04 97.16 1 0 1000.00 -999 ? >TYR^A 125 33.60 25.37 100.35 34.45 22.92 101.40 34.02 24.15 100.88 3 0 1000.00 -999 ? >LEU^A 126 30.37 29.10 95.28 29.76 30.59 93.81 30.06 29.84 94.55 3 0 1000.00 -999 ? >PHE^A 127 30.11 31.30 101.11 31.36 29.59 102.95 30.74 30.44 102.03 3 0 1000.00 -999 ? >VAL^A 128 25.62 33.20 97.79 24.20 32.38 96.35 24.91 32.79 97.07 3 0 1000.00 -999 ? >GLY.A 129 25.23 36.11 100.13 25.72 35.36 100.23 25.48 35.73 100.18 1 0 1000.00 -999 ? >ASP.A 130 24.83 35.41 104.89 25.13 37.49 105.24 24.98 36.45 105.07 2 0 1000.00 -999 ? >VAL^A 131 25.12 31.16 102.92 22.92 31.13 102.91 24.02 31.15 102.91 3 0 1000.00 -999 ? >LEU^A 132 27.05 26.91 101.66 28.69 26.03 102.76 27.87 26.47 102.21 3 0 1000.00 -999 ? >LEU.A 133 26.59 27.38 96.31 26.16 27.28 94.20 26.38 27.33 95.26 3 0 1000.00 -999 ? >SER~A 134 24.27 24.40 98.56 25.97 23.64 100.15 25.12 24.02 99.36 2 0 1000.00 -999 ? >GLU~A 135 23.66 25.57 103.21 24.06 26.01 105.23 23.86 25.79 104.22 2 0 1000.00 -999 ? >SER~A 136 20.84 29.00 99.01 22.00 29.07 96.86 21.42 29.03 97.93 2 0 1000.00 -999 ? >GLY~A 137 17.79 28.92 96.75 18.59 28.67 96.57 18.19 28.80 96.66 1 0 1000.00 -999 ? >MET~A 138 20.06 27.28 94.16 20.81 29.12 91.62 20.44 28.20 92.89 2 0 1000.00 -999 ? >LYS~A 139 19.78 24.00 96.06 17.49 24.63 101.95 18.64 24.31 99.00 2 0 1000.00 -999 ? >ASN~A 140 15.09 23.80 95.56 15.41 22.81 97.43 15.25 23.30 96.50 2 0 1000.00 -999 ? >HIS~A 141 18.06 26.67 89.46 17.93 27.84 87.72 17.99 27.25 88.59 3 0 1000.00 -999 ? >PRO.A 142 13.25 26.38 89.18 14.61 24.65 89.04 13.93 25.51 89.11 3 0 1000.00 -999 ? >ILE.A 143 16.98 24.44 84.74 16.75 24.92 83.35 16.86 24.68 84.05 3 0 1000.00 -999 ? >THR.A 144 20.23 23.22 87.45 21.24 24.57 86.08 20.74 23.89 86.76 2 0 1000.00 -999 ? >PRO.A 145 18.98 20.47 90.60 19.88 22.51 90.50 19.43 21.49 90.55 3 0 1000.00 -999 ? >MET.A 146 23.24 22.97 93.15 24.43 24.04 90.25 23.84 23.50 91.70 2 0 1000.00 -999 ? >VAL.A 147 23.70 20.74 96.21 22.61 18.93 95.65 23.16 19.83 95.93 3 0 1000.00 -999 ? >ASP.A 148 28.32 20.02 95.68 30.23 19.57 96.53 29.27 19.79 96.11 2 0 1000.00 -999 ? >ALA.A 149 29.17 24.35 97.29 28.97 25.05 98.63 29.07 24.70 97.96 2 0 1000.00 -999 ? >ASN~A 150 33.27 21.82 97.12 35.40 21.69 97.06 34.33 21.75 97.09 2 0 1000.00 -999 ? >LEU~A 151 34.24 25.81 92.78 33.01 27.58 92.52 33.62 26.70 92.65 3 0 1000.00 -999 ? >MET~A 152 36.63 21.96 92.49 38.20 24.15 94.60 37.42 23.05 93.54 2 0 1000.00 -999 ? >ARG~A 153 33.67 17.44 96.55 32.90 18.87 99.18 33.29 18.16 97.87 2 0 1000.00 -999 ? >LEU~A 154 30.89 22.09 91.03 29.19 22.57 92.23 30.04 22.33 91.63 3 0 1000.00 -999 ? >MET~A 155 33.96 21.21 88.01 34.87 22.89 85.23 34.41 22.05 86.62 2 0 1000.00 -999 ? >ASP~A 156 36.16 17.20 89.69 38.15 17.87 90.06 37.16 17.54 89.88 2 0 1000.00 -999 ? >ALA~A 157 32.18 16.09 87.93 30.93 16.47 88.69 31.56 16.28 88.31 2 0 1000.00 -999 ? >GLN~A 158 31.31 19.87 85.19 30.10 21.60 85.19 30.71 20.73 85.19 2 0 1000.00 -999 ? >ALA~A 159 35.37 18.07 83.32 36.22 19.12 84.01 35.79 18.59 83.66 2 0 1000.00 -999 ? >LYS.A 160 37.91 15.83 81.57 35.23 12.86 78.95 36.57 14.35 80.26 2 0 1000.00 -999 ? >GLY.A 161 40.72 17.18 83.76 39.98 17.20 84.10 40.35 17.19 83.93 1 0 1000.00 -999 ? >LYS.A 162 41.37 17.97 87.45 39.13 13.48 88.96 40.25 15.72 88.21 2 0 1000.00 -999 ? >THR^A 163 40.58 21.19 89.32 38.64 22.12 88.98 39.61 21.66 89.15 2 0 1000.00 -999 ? >GLY^A 164 42.95 22.88 91.79 42.30 23.31 91.56 42.63 23.09 91.68 1 0 1000.00 -999 ? >LEU^A 165 42.00 25.46 95.48 40.90 26.78 96.81 41.45 26.12 96.15 3 0 1000.00 -999 ? >VAL^A 166 44.63 29.10 94.86 45.63 30.37 93.37 45.13 29.74 94.11 3 0 1000.00 -999 ? >ALA~A 167 43.58 29.83 98.44 43.96 28.97 99.64 43.77 29.40 99.04 2 0 1000.00 -999 ? >TYR~A 168 41.79 34.64 101.86 41.89 37.04 103.32 41.84 35.84 102.59 3 0 1000.00 -999 ? >ALA~A 169 45.98 33.21 102.01 46.41 32.05 102.89 46.20 32.63 102.45 2 0 1000.00 -999 ? >ASP~A 170 48.13 31.86 97.90 49.14 30.34 98.94 48.64 31.10 98.42 2 0 1000.00 -999 ? >VAL~A 171 45.85 35.56 96.74 43.93 35.33 95.67 44.89 35.45 96.21 3 0 1000.00 -999 ? >ILE~A 172 45.81 38.30 100.80 45.15 37.68 101.93 45.48 37.99 101.37 3 0 1000.00 -999 ? >LYS.A 173 50.08 38.03 98.70 52.58 33.49 102.31 51.33 35.76 100.51 2 0 1000.00 -999 ? >GLY~A 174 49.80 39.34 95.15 49.62 38.61 95.16 49.71 38.97 95.16 1 0 1000.00 -999 ? >ALA~A 175 49.81 38.60 91.43 49.87 39.68 90.36 49.84 39.14 90.90 2 0 1000.00 -999 ? >SER~A 176 53.32 37.09 91.41 54.91 38.85 90.93 54.11 37.97 91.17 2 0 1000.00 -999 ? >ARG~A 177 52.80 32.89 96.70 53.21 29.89 97.24 53.01 31.39 96.97 2 0 1000.00 -999 ? >VAL~A 178 49.32 33.65 92.39 47.32 34.51 92.16 48.32 34.08 92.28 3 0 1000.00 -999 ? >GLN~A 179 51.32 35.00 87.89 52.51 36.45 86.87 51.92 35.72 87.38 2 0 1000.00 -999 ? >GLU~A 180 55.56 32.41 92.27 56.72 33.11 93.94 56.14 32.76 93.11 2 0 1000.00 -999 ? >CYH~A 181 50.69 28.91 92.70 49.96 29.99 95.23 50.32 29.45 93.96 2 0 1000.00 -999 ? >PHE~A 182 48.13 30.60 88.21 45.86 32.23 88.49 46.99 31.41 88.35 3 0 1000.00 -999 ? >ALA~A 183 52.87 27.12 88.15 54.19 27.87 88.25 53.53 27.50 88.20 2 0 1000.00 -999 ? >GLU~A 184 51.93 24.34 93.60 51.13 25.41 95.25 51.53 24.88 94.42 2 0 1000.00 -999 ? >LEU~A 185 47.76 24.49 90.24 46.45 25.02 91.89 47.10 24.75 91.06 3 0 1000.00 -999 ? >LYS~A 186 50.08 22.94 86.68 51.16 26.70 82.23 50.62 24.82 84.46 2 0 1000.00 -999 ? >ALA~A 187 53.02 20.82 87.82 54.18 21.31 88.67 53.60 21.06 88.24 2 0 1000.00 -999 ? >GLN~A 188 50.85 19.97 92.24 49.90 20.87 93.91 50.37 20.42 93.07 2 0 1000.00 -999 ? >GLY.A 189 48.61 18.01 86.82 48.36 18.58 87.28 48.48 18.29 87.05 1 0 1000.00 -999 ? >TYR.A 190 45.47 20.74 89.78 45.23 19.53 92.29 45.35 20.14 91.03 3 0 1000.00 -999 ? >ARG.A 191 42.17 20.07 81.05 43.26 20.54 78.20 42.72 20.30 79.62 2 0 1000.00 -999 ? >TYR^A 192 39.94 23.07 84.88 39.21 20.95 83.23 39.57 22.01 84.05 3 0 1000.00 -999 ? >ALA^A 193 42.26 26.44 89.06 43.62 27.10 89.12 42.94 26.77 89.09 2 0 1000.00 -999 ? >VAL^A 194 39.54 27.86 91.30 37.76 26.99 92.28 38.65 27.42 91.79 3 0 1000.00 -999 ? >VAL^A 195 40.65 31.10 92.97 42.19 32.28 91.92 41.42 31.69 92.44 3 0 1000.00 -999 ? >ASP.A 196 39.90 32.19 97.60 39.41 30.30 98.40 39.65 31.24 98.00 2 0 1000.00 -999 ? >ALA.A 197 37.83 35.94 96.70 37.50 36.40 95.28 37.66 36.17 95.99 2 0 1000.00 -999 ? >VAL.A 198 35.97 37.08 99.81 36.93 36.02 101.45 36.45 36.55 100.63 3 0 1000.00 -999 ? >ASP.A 199 37.88 41.22 99.90 38.11 43.28 99.77 38.00 42.25 99.84 2 0 1000.00 -999 ? >ASN~A 200 36.12 43.79 95.26 34.24 43.49 94.29 35.18 43.64 94.77 2 0 1000.00 -999 ? >SER~A 201 40.65 43.26 95.73 41.59 42.98 97.97 41.12 43.12 96.85 2 0 1000.00 -999 ? >GLN~A 202 41.17 37.97 97.26 40.34 38.93 98.97 40.75 38.45 98.11 2 0 1000.00 -999 ? >LEU~A 203 38.23 40.22 91.38 36.53 38.89 91.55 37.38 39.56 91.46 3 0 1000.00 -999 ? >GLU~A 204 42.75 45.23 91.54 42.36 46.93 92.76 42.56 46.08 92.15 2 0 1000.00 -999 ? >VAL~A 205 44.96 40.59 91.94 45.89 39.91 93.82 45.43 40.25 92.88 3 0 1000.00 -999 ? >LEU~A 206 42.38 36.95 89.97 42.10 34.92 89.24 42.24 35.93 89.61 3 0 1000.00 -999 ? >ALA~A 207 43.00 40.11 86.90 42.25 41.42 87.04 42.62 40.76 86.97 2 0 1000.00 -999 ? >GLU~A 208 48.13 43.04 87.71 50.20 42.65 87.71 49.17 42.84 87.71 2 0 1000.00 -999 ? >ALA~A 209 47.78 37.44 87.33 47.40 36.54 88.51 47.59 36.99 87.92 2 0 1000.00 -999 ? >VAL~A 210 45.76 36.25 84.29 43.76 35.80 85.07 44.76 36.02 84.68 3 0 1000.00 -999 ? >ALA.A 211 46.97 39.13 82.08 47.90 40.22 82.55 47.43 39.68 82.32 2 0 1000.00 -999 ? >ASP.A 212 50.15 36.61 79.70 51.16 38.47 79.65 50.66 37.54 79.68 2 0 1000.00 -999 ? >PHE.A 213 45.78 32.74 82.03 46.71 31.32 84.26 46.24 32.03 83.14 3 0 1000.00 -999 ? >LYS.A 214 44.93 32.87 76.30 45.79 33.74 71.60 45.36 33.30 73.95 2 0 1000.00 -999 ? >LEU^A 215 41.29 30.40 77.58 39.29 29.57 77.65 40.29 29.98 77.62 3 0 1000.00 -999 ? >VAL^A 216 39.98 32.59 81.37 40.67 34.67 81.63 40.33 33.63 81.50 3 0 1000.00 -999 ? >THR^A 217 36.55 31.64 82.77 36.75 29.45 82.90 36.65 30.54 82.84 2 0 1000.00 -999 ? >GLY^A 218 34.15 33.09 85.32 33.79 33.18 84.60 33.97 33.13 84.96 1 0 1000.00 -999 ? >GLY~A 219 31.19 35.34 86.00 31.98 35.63 85.79 31.58 35.49 85.90 1 0 1000.00 -999 ? >SER~A 220 31.23 39.11 85.56 28.97 39.50 84.77 30.10 39.30 85.16 2 0 1000.00 -999 ? >GLY~A 221 33.50 39.84 88.52 33.69 39.63 87.79 33.60 39.74 88.16 1 0 1000.00 -999 ? >LEU~A 222 37.32 37.49 86.59 39.39 37.00 86.15 38.35 37.25 86.37 3 0 1000.00 -999 ? >GLY~A 223 35.89 40.31 83.52 35.93 40.69 84.26 35.91 40.50 83.89 1 0 1000.00 -999 ? >ALA~A 224 35.20 43.67 85.16 34.26 43.86 86.32 34.73 43.77 85.74 2 0 1000.00 -999 ? >TYR~A 225 38.43 43.76 89.26 37.17 45.14 91.35 37.80 44.45 90.30 3 0 1000.00 -999 ? >MET~A 226 40.27 42.70 83.56 39.92 38.72 82.54 40.10 40.71 83.05 2 0 1000.00 -999 ? >ALA~A 227 38.60 45.63 81.78 37.09 45.84 81.71 37.85 45.74 81.74 2 0 1000.00 -999 ? >ALA~A 228 39.69 48.02 84.56 39.27 47.94 86.04 39.48 47.98 85.30 2 0 1000.00 -999 ? >ARG~A 229 45.96 44.01 84.77 47.49 43.53 82.15 46.72 43.77 83.46 2 0 1000.00 -999 ? >LEU~A 230 42.45 46.11 79.52 42.92 44.13 78.81 42.69 45.12 79.16 3 0 1000.00 -999 ? >SER~A 231 41.78 50.48 80.47 39.97 50.74 82.08 40.87 50.61 81.28 2 0 1000.00 -999 ? >GLY~A 232 43.96 51.79 83.30 43.13 51.74 83.35 43.54 51.77 83.33 1 0 1000.00 -999 ? >GLY.A 233 41.09 52.46 85.71 41.01 52.60 84.95 41.05 52.53 85.33 1 0 1000.00 -999 ? >LYS.A 234 38.96 54.29 83.14 36.31 57.48 81.34 37.64 55.89 82.24 2 0 1000.00 -999 ? >LYS~A 235 35.21 54.37 83.73 34.93 51.62 88.49 35.07 53.00 86.11 2 0 1000.00 -999 ? >GLY~A 236 32.12 54.61 81.52 32.31 55.22 81.99 32.21 54.91 81.76 1 0 1000.00 -999 ? >THR~A 237 31.89 58.40 81.80 33.20 59.10 83.40 32.54 58.75 82.60 2 0 1000.00 -999 ? >ASN~A 238 34.28 59.04 77.77 35.09 60.70 78.83 34.68 59.87 78.30 2 0 1000.00 -999 ? >ALA~A 239 30.65 55.96 76.74 29.95 54.89 77.55 30.30 55.43 77.14 2 0 1000.00 -999 ? >PHE.A 240 28.01 55.32 72.15 26.75 52.85 71.74 27.38 54.08 71.94 3 0 1000.00 -999 ? >THR.A 241 25.00 58.49 73.82 25.20 60.02 75.38 25.10 59.25 74.60 2 0 1000.00 -999 ? >PRO.A 242 21.00 57.96 72.09 22.88 59.00 71.56 21.94 58.48 71.82 3 0 1000.00 -999 ? >THR.A 243 23.47 62.15 68.71 24.97 61.62 67.24 24.22 61.88 67.98 2 0 1000.00 -999 ? >LYS.A 244 20.72 64.71 68.06 18.15 65.53 70.21 19.43 65.12 69.13 2 0 1000.00 -999 ? >GLY.A 245 17.94 63.11 66.02 17.65 63.29 66.80 17.80 63.20 66.41 1 0 1000.00 -999 ? >LYS.A 246 14.26 62.15 66.06 15.12 65.29 62.89 14.69 63.72 64.47 2 0 1000.00 -999 ? >THR^A 247 13.28 59.93 69.02 14.55 59.98 70.81 13.92 59.95 69.91 2 0 1000.00 -999 ? >VAL^A 248 10.31 57.75 69.97 9.29 56.30 68.65 9.80 57.02 69.31 3 0 1000.00 -999 ? >VAL^A 249 9.20 55.94 73.14 9.31 56.73 75.20 9.25 56.33 74.17 3 0 1000.00 -999 ? >LEU^A 250 7.68 51.83 71.44 7.50 52.50 69.36 7.59 52.17 70.40 3 0 1000.00 -999 ? >SER^A 251 6.02 51.31 76.04 6.01 51.90 78.40 6.01 51.61 77.22 2 0 1000.00 -999 ? >GLY.A 252 4.26 47.96 76.35 4.68 48.11 76.99 4.47 48.04 76.67 1 0 1000.00 -999 ? >SER.A 253 5.04 46.66 79.85 6.48 45.90 81.68 5.76 46.28 80.76 2 0 1000.00 -999 ? >CYH.A 254 2.35 46.63 82.53 0.39 46.37 80.60 1.37 46.50 81.57 2 0 1000.00 -999 ? >SER~A 255 4.68 46.19 85.50 6.29 44.41 85.14 5.48 45.30 85.32 2 0 1000.00 -999 ? >VAL~A 256 4.38 48.34 88.62 4.70 47.03 90.35 4.54 47.68 89.48 3 0 1000.00 -999 ? >MET~A 257 7.55 50.29 87.77 9.72 52.34 88.33 8.64 51.31 88.05 2 0 1000.00 -999 ? >THR~A 258 6.63 50.87 84.12 6.95 49.72 82.32 6.79 50.30 83.22 2 0 1000.00 -999 ? >ASN~A 259 2.10 51.34 85.81 0.59 50.44 84.64 1.35 50.89 85.22 2 0 1000.00 -999 ? >LYS~A 260 4.68 54.74 87.18 7.31 52.35 91.83 6.00 53.54 89.51 2 0 1000.00 -999 ? >GLN~A 261 9.35 54.23 85.00 10.63 52.69 84.25 9.99 53.46 84.62 2 0 1000.00 -999 ? >VAL~A 262 4.45 56.17 82.03 3.35 54.79 80.69 3.90 55.48 81.36 3 0 1000.00 -999 ? >GLU~A 263 0.36 57.62 86.19 -0.01 59.48 87.11 0.17 58.55 86.65 2 0 1000.00 -999 ? >LYS~A 264 5.22 60.40 85.15 9.70 63.56 87.29 7.46 61.98 86.22 2 0 1000.00 -999 ? >TYR~A 265 7.56 60.27 79.44 8.83 61.25 77.16 8.20 60.76 78.30 3 0 1000.00 -999 ? >ARG~A 266 -0.54 60.30 81.64 -2.60 58.11 81.09 -1.57 59.21 81.37 2 0 1000.00 -999 ? >GLU.A 267 3.30 65.81 84.34 4.35 65.63 86.18 3.83 65.72 85.26 2 0 1000.00 -999 ? >LYS.A 268 6.01 65.70 80.17 7.56 66.34 84.91 6.78 66.02 82.54 2 0 1000.00 -999 ? >ALA.A 269 5.37 64.68 76.53 6.61 63.88 76.09 5.99 64.28 76.31 2 0 1000.00 -999 ? >PRO.A 270 4.24 65.24 72.37 3.49 64.05 74.09 3.86 64.64 73.23 3 0 1000.00 -999 ? >HIS^A 271 0.33 61.27 76.77 -0.76 62.80 77.71 -0.22 62.03 77.24 3 0 1000.00 -999 ? >PHE^A 272 -1.88 57.70 70.31 -4.03 56.85 68.73 -2.95 57.27 69.52 3 0 1000.00 -999 ? >GLN^A 273 -3.66 53.84 76.22 -5.08 53.80 77.79 -4.37 53.82 77.00 2 0 1000.00 -999 ? >LEU.A 274 -1.14 51.17 72.13 -0.77 49.39 70.94 -0.96 50.28 71.53 3 0 1000.00 -999 ? >ASP~A 275 -7.12 51.44 72.04 -8.96 50.49 72.48 -8.04 50.96 72.26 2 0 1000.00 -999 ? >VAL~A 276 -6.02 46.82 72.19 -5.30 45.24 73.52 -5.66 46.03 72.86 3 0 1000.00 -999 ? >GLU~A 277 -12.07 46.69 70.95 -12.89 46.82 68.98 -12.48 46.76 69.97 2 0 1000.00 -999 ? >GLN~A 278 -9.11 51.31 68.25 -10.39 51.65 66.59 -9.75 51.48 67.42 2 0 1000.00 -999 ? >ALA~A 279 -5.00 47.01 67.35 -4.05 46.66 68.48 -4.53 46.84 67.92 2 0 1000.00 -999 ? >ILE~A 280 -7.72 43.01 67.31 -7.79 41.84 68.17 -7.76 42.43 67.74 3 0 1000.00 -999 ? >HIS~A 281 -11.65 44.38 65.77 -12.30 42.80 66.97 -11.97 43.59 66.37 3 0 1000.00 -999 ? >ASN~A 282 -8.76 50.07 63.65 -8.56 51.84 62.47 -8.66 50.96 63.06 2 0 1000.00 -999 ? >GLU.A 283 -7.92 46.23 58.61 -8.41 45.45 56.71 -8.17 45.84 57.66 2 0 1000.00 -999 ? >ASN~A 284 -6.48 52.81 58.99 -7.30 52.32 57.09 -6.89 52.57 58.04 2 0 1000.00 -999 ? >TYR~A 285 -4.77 51.42 65.61 -5.01 52.58 68.16 -4.89 52.00 66.88 3 0 1000.00 -999 ? >ILE~A 286 -0.05 50.32 61.64 0.82 49.20 61.65 0.39 49.76 61.65 3 0 1000.00 -999 ? >GLU~A 287 -1.58 55.49 57.50 0.37 55.41 56.64 -0.61 55.45 57.07 2 0 1000.00 -999 ? >GLN~A 288 -4.74 57.44 63.71 -6.09 56.94 65.28 -5.41 57.19 64.50 2 0 1000.00 -999 ? >LEU~A 289 0.17 54.67 65.57 -0.76 53.61 67.19 -0.30 54.14 66.38 3 0 1000.00 -999 ? >TYR~A 290 3.78 56.47 60.12 5.66 57.55 58.34 4.72 57.01 59.23 3 0 1000.00 -999 ? >GLN~A 291 -0.25 59.47 59.21 1.17 60.11 57.73 0.46 59.79 58.47 2 0 1000.00 -999 ? >TRP~A 292 -1.27 61.75 67.75 1.61 60.72 70.22 0.17 61.24 68.99 3 0 1000.00 -999 ? >VAL~A 293 4.21 60.16 65.95 5.38 58.35 66.42 4.79 59.26 66.19 3 0 1000.00 -999 ? >ILE~A 294 6.00 61.60 61.63 5.61 60.79 60.50 5.80 61.20 61.07 3 0 1000.00 -999 ? >ALA~A 295 3.61 65.05 63.63 2.12 65.03 63.33 2.86 65.04 63.48 2 0 1000.00 -999 ? >ASN.A 296 3.87 64.50 68.24 1.86 65.21 68.31 2.86 64.85 68.27 2 0 1000.00 -999 ? >LEU.A 297 9.05 64.02 65.38 9.51 61.93 65.14 9.28 62.98 65.26 3 0 1000.00 -999 ? >ASP.A 298 8.87 69.35 66.29 9.62 68.85 64.38 9.24 69.10 65.33 2 0 1000.00 -999 ? >SER.A 299 8.22 68.60 71.00 5.90 68.45 71.74 7.06 68.53 71.37 2 0 1000.00 -999 ? >GLU.A 300 9.63 69.64 75.79 9.61 71.00 77.40 9.62 70.32 76.59 2 0 1000.00 -999 ? >PHE.A 301 10.88 65.52 77.14 12.60 66.50 79.13 11.74 66.01 78.14 3 0 1000.00 -999 ? >ALA.A 302 9.92 62.38 72.26 10.84 61.20 72.18 10.38 61.79 72.22 2 0 1000.00 -999 ? >PRO.A 303 6.84 61.23 69.39 6.99 61.52 71.58 6.92 61.37 70.48 3 0 1000.00 -999 ? >MET^A 304 5.16 58.13 73.42 5.15 56.78 77.39 5.15 57.45 75.40 2 0 1000.00 -999 ? >VAL^A 305 2.90 55.35 72.13 2.48 54.89 70.06 2.69 55.12 71.10 3 0 1000.00 -999 ? >TYR^A 306 1.27 54.60 76.84 -0.75 56.30 77.72 0.26 55.45 77.28 3 0 1000.00 -999 ? >ALA.A 307 0.15 49.82 75.84 0.55 48.49 75.21 0.35 49.16 75.52 2 0 1000.00 -999 ? >THR.A 308 1.15 50.18 79.50 2.98 50.82 80.42 2.06 50.50 79.96 2 0 1000.00 -999 ? >VAL.A 309 -1.87 49.85 81.82 -3.33 49.11 80.36 -2.60 49.48 81.09 3 0 1000.00 -999 ? >PRO~A 310 -3.35 50.88 85.80 -2.24 49.19 84.87 -2.80 50.04 85.34 3 0 1000.00 -999 ? >PRO~A 311 -0.61 45.87 88.13 -1.64 45.83 86.15 -1.12 45.85 87.14 3 0 1000.00 -999 ? >ASP~A 312 -5.91 46.18 88.24 -8.04 46.13 88.36 -6.98 46.15 88.30 2 0 1000.00 -999 ? >ALA~A 313 -6.71 46.69 83.97 -6.52 48.15 83.56 -6.61 47.42 83.77 2 0 1000.00 -999 ? >LEU~A 314 -2.91 44.26 82.19 -1.59 43.37 80.72 -2.25 43.81 81.46 3 0 1000.00 -999 ? >LYS~A 315 -5.74 41.17 83.53 -6.11 37.41 88.69 -5.92 39.29 86.11 2 0 1000.00 -999 ? >ALA~A 316 -9.20 42.53 82.63 -9.74 43.86 83.11 -9.47 43.20 82.87 2 0 1000.00 -999 ? >ILE~A 317 -7.09 43.77 78.40 -6.65 44.87 77.54 -6.87 44.32 77.97 3 0 1000.00 -999 ? >GLN~A 318 -4.11 39.74 79.96 -2.57 38.94 81.21 -3.34 39.34 80.58 2 0 1000.00 -999 ? >HIS~A 319 -9.06 36.99 82.34 -7.59 35.78 83.23 -8.32 36.39 82.78 3 0 1000.00 -999 ? >GLN.A 320 -13.46 41.55 76.96 -14.34 43.31 77.78 -13.90 42.43 77.37 2 0 1000.00 -999 ? >PHE.A 321 -9.71 42.08 73.73 -11.30 44.38 73.56 -10.50 43.23 73.65 3 0 1000.00 -999 ? >GLY~A 322 -7.52 36.64 75.24 -7.23 37.42 75.33 -7.38 37.03 75.29 1 0 1000.00 -999 ? >VAL~A 323 -3.97 36.58 76.58 -3.03 35.65 78.31 -3.50 36.11 77.45 3 0 1000.00 -999 ? >ASP~A 324 -2.24 34.21 72.74 -1.17 32.99 74.10 -1.71 33.60 73.42 2 0 1000.00 -999 ? >GLN~A 325 -6.82 36.13 70.41 -6.36 34.41 71.59 -6.59 35.27 71.00 2 0 1000.00 -999 ? >ALA~A 326 -4.07 40.86 72.81 -4.63 41.17 74.20 -4.35 41.01 73.51 2 0 1000.00 -999 ? >SER~A 327 -0.34 40.10 73.12 1.63 38.80 73.77 0.65 39.45 73.44 2 0 1000.00 -999 ? >HIS~A 328 0.11 37.38 68.40 1.30 35.68 68.11 0.71 36.53 68.26 3 0 1000.00 -999 ? >ALA~A 329 -2.00 42.85 68.42 -3.38 43.16 68.95 -2.69 43.00 68.68 2 0 1000.00 -999 ? >ILE~A 330 0.34 44.86 72.17 0.16 45.38 73.50 0.25 45.12 72.84 3 0 1000.00 -999 ? >GLU~A 331 4.26 41.58 71.16 4.56 39.51 71.53 4.41 40.55 71.34 2 0 1000.00 -999 ? >ASN~A 332 1.43 42.70 65.08 1.69 40.60 64.85 1.56 41.65 64.97 2 0 1000.00 -999 ? >THR~A 333 1.62 47.08 66.07 -0.19 48.14 66.69 0.71 47.61 66.38 2 0 1000.00 -999 ? >PHE~A 334 4.76 48.57 70.26 3.70 49.91 72.48 4.23 49.24 71.37 3 0 1000.00 -999 ? >ALA~A 335 6.86 46.21 65.27 6.73 44.70 65.10 6.79 45.45 65.19 2 0 1000.00 -999 ? >LYS~A 336 5.15 47.58 62.18 1.15 43.31 59.72 3.15 45.45 60.95 2 0 1000.00 -999 ? >LEU~A 337 4.53 51.58 64.85 4.00 53.62 65.41 4.27 52.60 65.13 3 0 1000.00 -999 ? >ALA~A 338 8.88 50.92 64.46 9.48 49.94 65.43 9.18 50.43 64.95 2 0 1000.00 -999 ? >ALA~A 339 9.68 49.74 60.95 9.16 48.47 60.31 9.42 49.10 60.63 2 0 1000.00 -999 ? >LYS~A 340 7.75 52.64 59.38 4.06 53.85 57.08 5.91 53.24 58.23 2 0 1000.00 -999 ? >LEU~A 341 9.20 55.22 63.24 7.52 55.96 64.38 8.36 55.59 63.81 3 0 1000.00 -999 ? >LYS~A 342 12.85 53.96 60.89 15.95 49.19 59.53 14.40 51.57 60.21 2 0 1000.00 -999 ? >GLN~A 343 10.91 53.87 54.91 12.72 53.65 53.76 11.81 53.76 54.34 2 0 1000.00 -999 ? >TYR~A 344 9.40 59.58 58.84 9.03 62.34 59.13 9.21 60.96 58.99 3 0 1000.00 -999 ? >GLY~A 345 13.99 58.80 59.65 13.51 58.49 60.18 13.75 58.65 59.91 1 0 1000.00 -999 ? >VAL.A 346 13.61 58.20 63.40 11.96 57.99 64.82 12.78 58.09 64.11 3 0 1000.00 -999 ? >THR.A 347 17.03 57.23 64.77 18.28 58.75 63.83 17.66 57.99 64.30 2 0 1000.00 -999 ? >ASN^A 348 16.76 57.99 69.42 18.48 59.10 68.80 17.62 58.55 69.11 2 0 1000.00 -999 ? >PHE^A 349 13.66 53.07 67.73 13.14 53.46 65.01 13.40 53.27 66.37 3 0 1000.00 -999 ? >ILE^A 350 13.20 55.22 74.51 13.73 56.23 75.39 13.47 55.73 74.95 3 0 1000.00 -999 ? >THR^A 351 11.36 50.75 74.48 12.14 49.36 73.01 11.75 50.06 73.74 2 0 1000.00 -999 ? >ALA^A 352 9.81 49.48 77.71 8.97 50.51 78.44 9.39 49.99 78.08 2 0 1000.00 -999 ? >GLY~A 353 9.07 45.84 78.45 9.80 46.00 78.07 9.43 45.92 78.26 1 0 1000.00 -999 ? >GLY~A 354 10.83 42.58 77.64 10.21 42.90 77.25 10.52 42.74 77.45 1 0 1000.00 -999 ? >GLU~A 355 6.94 40.05 76.18 5.03 39.12 76.04 5.98 39.59 76.11 2 0 1000.00 -999 ? >THR~A 356 8.18 45.01 73.30 6.96 46.74 73.78 7.57 45.88 73.54 2 0 1000.00 -999 ? >SER~A 357 11.97 45.44 73.13 12.53 46.46 75.28 12.25 45.95 74.21 2 0 1000.00 -999 ? >SER~A 358 12.58 42.04 71.52 12.95 40.38 73.29 12.77 41.21 72.40 2 0 1000.00 -999 ? >ILE~A 359 8.38 42.69 69.11 7.79 42.38 68.62 8.09 42.54 68.87 3 0 1000.00 -999 ? >VAL~A 360 11.21 46.04 67.87 10.84 48.08 68.58 11.02 47.06 68.23 3 0 1000.00 -999 ? >VAL~A 361 14.83 44.82 67.66 16.47 44.48 69.07 15.65 44.65 68.36 3 0 1000.00 -999 ? >GLN~A 362 12.26 39.66 65.22 10.80 38.31 65.95 11.53 38.99 65.59 2 0 1000.00 -999 ? >GLU~A 363 9.72 45.33 62.38 8.81 43.84 61.20 9.26 44.58 61.79 2 0 1000.00 -999 ? >LEU~A 364 14.93 47.47 63.61 13.68 49.17 64.16 14.30 48.32 63.89 3 0 1000.00 -999 ? >GLY~A 365 16.74 43.43 61.97 16.93 43.93 62.50 16.84 43.68 62.23 1 0 1000.00 -999 ? >PHE.A 366 19.11 46.66 64.76 18.24 49.09 63.68 18.68 47.87 64.22 3 0 1000.00 -999 ? >THR.A 367 22.04 41.39 65.19 22.82 40.95 63.21 22.43 41.17 64.20 2 0 1000.00 -999 ? >GLY^A 368 24.32 43.18 67.62 23.83 43.76 67.23 24.08 43.47 67.43 1 0 1000.00 -999 ? >PHE^A 369 22.51 46.33 69.87 19.98 45.47 69.02 21.24 45.90 69.45 3 0 1000.00 -999 ? >HIS^A 370 28.88 49.92 68.54 30.13 49.63 66.88 29.50 49.78 67.71 3 0 1000.00 -999 ? >ILE^A 371 27.71 48.17 75.32 26.49 47.30 75.66 27.10 47.73 75.49 3 0 1000.00 -999 ? >GLY^A 372 27.16 52.82 75.48 26.84 52.33 76.00 27.00 52.57 75.74 1 0 1000.00 -999 ? >LYS^A 373 26.51 55.03 78.50 27.93 60.83 80.28 27.22 57.93 79.39 2 0 1000.00 -999 ? >GLN^A 374 24.12 52.29 83.52 25.08 51.22 85.10 24.60 51.75 84.31 2 0 1000.00 -999 ? >ILE^A 375 19.84 55.08 80.70 18.92 55.46 79.70 19.38 55.27 80.20 3 0 1000.00 -999 ? >ALA^A 376 20.17 53.14 84.64 18.65 53.05 84.75 19.41 53.09 84.70 2 0 1000.00 -999 ? >PRO.A 377 21.50 50.91 88.19 21.25 50.54 86.00 21.38 50.72 87.10 3 0 1000.00 -999 ? >GLY.A 378 20.78 47.31 83.37 20.82 48.10 83.17 20.80 47.71 83.27 1 0 1000.00 -999 ? >VAL^A 379 19.76 49.92 80.79 17.66 50.55 80.91 18.71 50.23 80.85 3 0 1000.00 -999 ? >PRO^A 380 23.20 48.90 78.20 22.20 50.72 79.00 22.70 49.81 78.60 3 0 1000.00 -999 ? >TRP^A 381 21.87 56.61 76.44 18.73 56.37 74.06 20.30 56.49 75.25 3 0 1000.00 -999 ? >LEU^A 382 21.97 49.79 72.25 21.68 48.08 73.54 21.83 48.93 72.90 3 0 1000.00 -999 ? >LYS^A 383 23.71 51.55 68.69 26.51 52.48 64.79 25.11 52.02 66.74 2 0 1000.00 -999 ? >ALA^A 384 23.16 48.97 66.00 22.03 49.02 64.98 22.60 48.99 65.49 2 0 1000.00 -999 ? >VAL.A 385 26.24 47.61 64.25 26.62 45.58 65.00 26.43 46.59 64.62 3 0 1000.00 -999 ? >GLU.A 386 23.14 45.43 60.85 22.78 44.76 62.82 22.96 45.09 61.83 2 0 1000.00 -999 ? >GLU.A 387 20.98 50.89 60.59 19.37 50.91 59.20 20.18 50.90 59.90 2 0 1000.00 -999 ? >ASP.A 388 23.84 55.99 62.47 25.92 56.09 62.02 24.88 56.04 62.25 2 0 1000.00 -999 ? >ILE.A 389 19.34 52.65 64.47 18.21 53.42 63.96 18.78 53.04 64.21 3 0 1000.00 -999 ? >PHE^A 390 21.98 55.93 68.91 24.37 56.92 67.81 23.17 56.43 68.36 3 0 1000.00 -999 ? >LEU^A 391 17.70 50.69 70.69 17.98 49.73 68.77 17.84 50.21 69.73 3 0 1000.00 -999 ? >ALA^A 392 17.35 52.02 74.99 17.08 53.36 75.66 17.21 52.69 75.32 2 0 1000.00 -999 ? >LEU^A 393 16.20 47.43 75.30 16.52 47.17 73.16 16.36 47.30 74.23 3 0 1000.00 -999 ? >LYS^A 394 14.12 48.90 79.39 10.41 49.75 82.89 12.26 49.32 81.14 2 0 1000.00 -999 ? >SER.A 395 12.83 45.64 80.89 13.49 43.32 80.54 13.16 44.48 80.71 2 0 1000.00 -999 ? >GLY.A 396 9.83 46.21 83.15 10.55 46.14 83.40 10.19 46.18 83.28 1 0 1000.00 -999 ? >ASN.A 397 12.12 45.14 87.23 10.50 43.94 87.91 11.31 44.54 87.57 2 0 1000.00 -999 ? >PHE.A 398 16.18 46.90 84.56 16.99 44.22 84.44 16.58 45.56 84.50 3 0 1000.00 -999 ? >GLY.A 399 14.96 52.41 85.88 14.69 52.00 86.48 14.82 52.20 86.18 1 0 1000.00 -999 ? >LYS.A 400 13.74 55.00 88.36 16.77 58.19 88.05 15.26 56.60 88.21 2 0 1000.00 -999 ? >GLU.A 401 9.27 56.77 90.31 8.52 57.98 91.86 8.89 57.38 91.08 2 0 1000.00 -999 ? >ASP~A 402 12.35 60.80 86.23 14.39 60.55 86.81 13.37 60.68 86.52 2 0 1000.00 -999 ? >PHE~A 403 13.74 54.80 82.14 15.03 53.71 79.90 14.39 54.25 81.02 3 0 1000.00 -999 ? >PHE~A 404 9.75 56.69 79.49 8.80 54.08 79.44 9.27 55.38 79.47 3 0 1000.00 -999 ? >GLU~A 405 12.05 62.80 82.50 11.27 64.54 83.43 11.66 63.67 82.96 2 0 1000.00 -999 ? >TYR~A 406 17.68 60.14 83.64 20.39 60.16 84.33 19.04 60.15 83.99 3 0 1000.00 -999 ? >ALA~A 407 17.14 58.63 79.13 16.28 57.51 78.57 16.71 58.07 78.85 2 0 1000.00 -999 ? >GLN~A 408 14.44 61.02 75.89 12.61 61.77 75.14 13.52 61.39 75.51 2 0 1000.00 -999 ? >GLY~A 409 18.05 64.28 79.14 18.44 63.71 78.78 18.24 63.99 78.96 1 0 1000.00 -999 ? >MET~A 410 21.61 62.96 78.99 22.23 58.90 79.65 21.92 60.93 79.32 2 0 1000.00 -999 ? >PHE.A 411 20.62 62.00 73.72 18.10 61.39 72.68 19.36 61.69 73.20 3 0 1000.00 -999 ? >LEU.A 412 18.93 67.02 75.47 17.20 66.35 74.35 18.07 66.68 74.91 3 0 1000.00 -999 ? >LEU.B 1 2.65 38.15 51.68 1.76 37.41 49.82 2.21 37.78 50.75 3 0 1000.00 -999 ? >GLY^B 2 0.56 34.78 54.20 0.34 35.04 53.44 0.45 34.91 53.82 1 0 1000.00 -999 ? >VAL^B 3 0.15 31.97 51.67 1.39 31.76 49.89 0.77 31.87 50.78 3 0 1000.00 -999 ? >ILE^B 4 -3.84 29.46 52.69 -4.91 29.47 53.74 -4.38 29.46 53.22 3 0 1000.00 -999 ? >ALA^B 5 -1.32 26.33 49.92 0.13 26.03 49.62 -0.59 26.18 49.77 2 0 1000.00 -999 ? >ASP.B 6 -4.64 23.25 48.31 -4.09 22.77 46.32 -4.37 23.01 47.31 2 0 1000.00 -999 ? >ASP~B 7 -0.71 20.04 47.45 0.59 20.88 46.01 -0.06 20.46 46.73 2 0 1000.00 -999 ? >PHE~B 8 5.03 19.03 50.90 7.74 19.39 51.52 6.38 19.21 51.21 3 0 1000.00 -999 ? >THR~B 9 4.55 20.20 46.35 4.66 18.70 44.78 4.60 19.45 45.56 2 0 1000.00 -999 ? >GLY~B 10 2.81 23.49 45.53 3.21 23.31 46.23 3.01 23.40 45.88 1 0 1000.00 -999 ? >ALA~B 11 3.62 25.07 48.90 3.31 24.45 50.25 3.47 24.76 49.57 2 0 1000.00 -999 ? >SER~B 12 7.30 24.27 48.34 7.47 22.03 49.27 7.39 23.15 48.80 2 0 1000.00 -999 ? >ASP~B 13 6.11 25.02 43.71 6.59 25.73 41.76 6.35 25.38 42.74 2 0 1000.00 -999 ? >ILE~B 14 4.04 29.34 45.98 3.00 30.11 46.70 3.52 29.73 46.34 3 0 1000.00 -999 ? >ALA~B 15 7.83 29.50 48.63 8.02 28.51 49.76 7.93 29.01 49.19 2 0 1000.00 -999 ? >SER~B 16 10.86 29.03 46.37 11.73 26.74 46.45 11.30 27.89 46.41 2 0 1000.00 -999 ? >PHE~B 17 8.03 30.73 41.97 8.26 29.36 39.53 8.15 30.05 40.75 3 0 1000.00 -999 ? >LEU~B 18 7.98 33.90 48.07 5.83 33.91 48.19 6.91 33.90 48.13 3 0 1000.00 -999 ? >VAL~B 19 12.40 33.80 47.86 13.40 32.53 49.32 12.90 33.16 48.59 3 0 1000.00 -999 ? >GLU~B 20 14.40 31.41 43.56 16.42 31.89 43.99 15.41 31.65 43.77 2 0 1000.00 -999 ? >ASN~B 21 10.44 36.94 43.24 10.44 36.12 41.28 10.44 36.53 42.26 2 0 1000.00 -999 ? >GLY.B 22 13.27 38.74 46.92 12.74 38.33 47.02 13.01 38.53 46.97 1 0 1000.00 -999 ? >LEU.B 23 9.45 37.71 49.57 8.07 39.30 49.07 8.76 38.51 49.32 3 0 1000.00 -999 ? >SER.B 24 12.27 36.12 52.95 12.23 37.83 54.74 12.25 36.97 53.84 2 0 1000.00 -999 ? >THR^B 25 9.95 33.14 53.39 8.78 32.63 51.62 9.37 32.88 52.51 2 0 1000.00 -999 ? >VAL^B 26 9.12 30.57 56.04 9.46 30.77 58.21 9.29 30.67 57.12 3 0 1000.00 -999 ? >GLN^B 27 6.46 25.75 53.31 7.21 24.34 51.91 6.84 25.05 52.61 2 0 1000.00 -999 ? >MET^B 28 5.11 25.93 57.84 6.42 27.90 60.12 5.76 26.91 58.98 2 0 1000.00 -999 ? >ASN^B 29 5.01 21.17 57.08 6.43 21.57 55.53 5.72 21.37 56.30 2 0 1000.00 -999 ? >GLY.B 30 0.57 22.21 58.76 1.07 22.93 58.77 0.82 22.57 58.77 1 0 1000.00 -999 ? >VAL.B 31 -1.04 24.87 60.96 -3.04 25.70 61.07 -2.04 25.28 61.01 3 0 1000.00 -999 ? >PRO.B 32 2.49 26.96 62.02 1.06 25.69 63.14 1.77 26.32 62.58 3 0 1000.00 -999 ? >THR.B 33 0.62 25.64 67.43 0.72 23.52 67.88 0.67 24.58 67.66 2 0 1000.00 -999 ? >GLN.B 34 4.99 25.95 69.43 4.68 26.13 71.53 4.84 26.04 70.48 2 0 1000.00 -999 ? >SER.B 35 3.50 31.41 67.12 3.65 32.87 69.09 3.58 32.14 68.10 2 0 1000.00 -999 ? >LEU.B 36 6.14 32.64 63.20 7.64 32.31 61.66 6.89 32.48 62.43 3 0 1000.00 -999 ? >ASN.B 37 9.53 33.43 67.97 9.74 34.85 69.56 9.64 34.14 68.77 2 0 1000.00 -999 ? >SER.B 38 10.92 35.30 63.59 12.35 34.31 61.84 11.63 34.80 62.72 2 0 1000.00 -999 ? >LYS.B 39 10.69 38.19 61.14 12.84 43.64 58.77 11.76 40.91 59.95 2 0 1000.00 -999 ? >VAL.B 40 9.83 37.36 57.53 9.60 35.22 57.90 9.71 36.29 57.71 3 0 1000.00 -999 ? >ASP.B 41 8.99 39.18 53.16 10.56 40.56 53.47 9.78 39.87 53.32 2 0 1000.00 -999 ? >ALA^B 42 5.98 35.87 53.66 5.99 35.58 52.15 5.99 35.72 52.91 2 0 1000.00 -999 ? >ILE^B 43 4.19 32.90 56.83 4.31 32.99 58.23 4.25 32.94 57.53 3 0 1000.00 -999 ? >VAL^B 44 3.45 29.69 53.48 4.11 29.15 51.45 3.78 29.42 52.47 3 0 1000.00 -999 ? >ILE^B 45 0.15 27.53 56.18 -0.35 27.63 57.61 -0.10 27.58 56.90 3 0 1000.00 -999 ? >SER^B 46 1.25 23.63 53.73 2.27 21.39 53.48 1.76 22.51 53.61 2 0 1000.00 -999 ? >LEU.B 47 -3.35 22.52 53.91 -4.33 23.68 55.46 -3.84 23.10 54.69 3 0 1000.00 -999 ? >LYS.B 48 -3.53 18.53 52.46 0.86 15.16 53.28 -1.33 16.85 52.87 2 0 1000.00 -999 ? >SER.B 49 -6.76 20.15 51.30 -6.18 22.50 51.52 -6.47 21.33 51.41 2 0 1000.00 -999 ? >ARG.B 50 -4.51 18.55 44.41 -3.12 21.27 44.06 -3.82 19.91 44.23 2 0 1000.00 -999 ? >SER.B 51 -9.07 16.37 47.76 -7.28 15.01 46.80 -8.17 15.69 47.28 2 0 1000.00 -999 ? >ASN.B 52 -9.34 16.14 52.51 -9.24 18.22 52.97 -9.29 17.18 52.74 2 0 1000.00 -999 ? >PRO~B 53 -13.43 14.44 54.16 -13.10 16.08 52.70 -13.27 15.26 53.43 3 0 1000.00 -999 ? >VAL~B 54 -14.70 19.89 51.81 -16.46 20.87 50.94 -15.58 20.38 51.38 3 0 1000.00 -999 ? >ASN~B 55 -16.70 19.96 56.25 -18.68 20.47 55.66 -17.69 20.21 55.96 2 0 1000.00 -999 ? >GLU~B 56 -12.27 17.22 57.54 -11.28 15.34 57.51 -11.77 16.28 57.52 2 0 1000.00 -999 ? >ALA~B 57 -10.60 21.78 54.02 -10.88 21.60 52.53 -10.74 21.69 53.27 2 0 1000.00 -999 ? >ILE~B 58 -14.11 25.07 54.92 -15.28 25.82 54.38 -14.69 25.44 54.65 3 0 1000.00 -999 ? >GLU~B 59 -12.08 23.57 61.14 -13.12 25.31 61.81 -12.60 24.44 61.48 2 0 1000.00 -999 ? >GLN~B 60 -7.73 21.32 58.07 -7.22 19.62 56.89 -7.48 20.47 57.48 2 0 1000.00 -999 ? >SER~B 61 -7.85 26.79 55.74 -8.18 25.97 53.49 -8.02 26.38 54.62 2 0 1000.00 -999 ? >LEU~B 62 -10.98 28.92 58.77 -12.76 29.65 57.78 -11.87 29.28 58.27 3 0 1000.00 -999 ? >ARG~B 63 -8.26 24.43 62.83 -6.04 22.42 62.13 -7.15 23.43 62.48 2 0 1000.00 -999 ? >ALA~B 64 -4.41 28.66 58.91 -4.14 27.99 57.57 -4.27 28.32 58.24 2 0 1000.00 -999 ? >TYR~B 65 -7.48 33.88 57.60 -8.31 36.52 58.06 -7.90 35.20 57.83 3 0 1000.00 -999 ? >GLN~B 66 -8.05 32.81 63.52 -9.68 33.68 62.43 -8.86 33.25 62.98 2 0 1000.00 -999 ? >TRP~B 67 -0.46 30.04 64.37 2.64 30.74 62.06 1.09 30.39 63.22 3 0 1000.00 -999 ? >LEU~B 68 -1.58 33.67 58.23 -0.57 32.46 56.75 -1.08 33.07 57.49 3 0 1000.00 -999 ? >LYS~B 69 -3.25 36.97 60.69 -8.47 40.40 61.83 -5.86 38.69 61.26 2 0 1000.00 -999 ? >GLU~B 70 -4.01 35.79 65.75 -4.51 34.18 67.05 -4.26 34.98 66.40 2 0 1000.00 -999 ? >ASN~B 71 2.05 35.08 63.00 2.15 33.89 64.77 2.10 34.48 63.88 2 0 1000.00 -999 ? >GLY.B 72 1.45 39.63 61.22 1.14 39.04 60.85 1.30 39.33 61.03 1 0 1000.00 -999 ? >CYH.B 73 -0.03 38.81 57.81 1.14 36.33 57.25 0.56 37.57 57.53 2 0 1000.00 -999 ? >THR.B 74 -1.88 41.55 55.92 -0.60 43.26 56.27 -1.24 42.40 56.09 2 0 1000.00 -999 ? >GLN.B 75 -1.98 40.44 49.82 -1.34 41.85 48.35 -1.66 41.15 49.09 2 0 1000.00 -999 ? >PHE^B 76 -4.64 36.60 54.09 -4.43 37.41 56.77 -4.54 37.01 55.43 3 0 1000.00 -999 ? >TYR^B 77 -1.20 33.94 46.98 -0.90 33.43 44.24 -1.05 33.68 45.61 3 0 1000.00 -999 ? >PHE^B 78 -6.94 29.54 48.07 -8.08 27.01 47.67 -7.51 28.27 47.87 3 0 1000.00 -999 ? >LYS^B 79 -2.41 28.68 46.39 0.41 25.48 44.13 -1.00 27.08 45.26 2 0 1000.00 -999 ? >TYR.B 80 -5.76 27.04 43.29 -6.68 29.27 41.88 -6.22 28.16 42.59 3 0 1000.00 -999 ? >CYH.B 81 -2.54 23.71 41.38 -1.59 21.43 40.09 -2.07 22.57 40.74 2 0 1000.00 -999 ? >SER.B 82 -1.70 25.14 37.95 0.44 24.03 37.40 -0.63 24.59 37.68 2 0 1000.00 -999 ? >THR.B 83 -4.13 22.67 36.34 -2.97 20.84 36.08 -3.55 21.75 36.21 2 0 1000.00 -999 ? >PHE.B 84 -8.70 25.61 38.52 -10.44 27.39 39.78 -9.57 26.50 39.15 3 0 1000.00 -999 ? >ASP.B 85 -6.21 19.63 41.04 -4.74 18.87 39.74 -5.48 19.25 40.39 2 0 1000.00 -999 ? >SER.B 86 -10.86 20.18 41.73 -11.11 22.42 40.74 -10.99 21.30 41.23 2 0 1000.00 -999 ? >THR.B 87 -14.39 18.81 41.07 -14.11 17.01 42.29 -14.25 17.91 41.68 2 0 1000.00 -999 ? >ALA.B 88 -18.03 19.91 41.46 -19.26 19.11 41.07 -18.65 19.51 41.26 2 0 1000.00 -999 ? >LYS.B 89 -17.24 19.77 45.15 -18.32 14.33 43.44 -17.78 17.05 44.30 2 0 1000.00 -999 ? >GLY.B 90 -13.90 21.42 44.02 -14.33 21.52 44.66 -14.12 21.47 44.34 1 0 1000.00 -999 ? >ASN~B 91 -11.27 21.94 47.99 -11.96 20.22 49.03 -11.61 21.08 48.51 2 0 1000.00 -999 ? >ILE~B 92 -10.48 25.71 43.98 -9.40 25.92 43.02 -9.94 25.82 43.50 3 0 1000.00 -999 ? >GLY~B 93 -14.47 27.19 45.38 -14.10 26.86 46.04 -14.28 27.03 45.71 1 0 1000.00 -999 ? >PRO~B 94 -16.29 24.35 48.04 -15.43 26.39 48.26 -15.86 25.37 48.15 3 0 1000.00 -999 ? >VAL~B 95 -12.28 27.42 50.50 -10.38 26.41 50.89 -11.33 26.92 50.69 3 0 1000.00 -999 ? >THR~B 96 -12.17 30.67 48.49 -11.69 31.30 46.44 -11.93 30.98 47.46 2 0 1000.00 -999 ? >ASP~B 97 -16.95 30.47 49.28 -17.65 30.74 47.30 -17.30 30.61 48.29 2 0 1000.00 -999 ? >ALA~B 98 -14.98 30.62 53.26 -14.52 29.28 53.82 -14.75 29.95 53.54 2 0 1000.00 -999 ? >LEU~B 99 -10.73 32.71 52.21 -9.06 31.47 52.75 -9.89 32.09 52.48 3 0 1000.00 -999 ? >LEU~B 100 -14.70 35.78 50.27 -13.98 36.24 48.27 -14.34 36.01 49.27 3 0 1000.00 -999 ? >ASP~B 101 -17.57 34.16 54.41 -18.79 33.71 52.70 -18.18 33.93 53.56 2 0 1000.00 -999 ? >GLU~B 102 -12.17 34.51 58.49 -13.15 34.27 60.35 -12.66 34.39 59.42 2 0 1000.00 -999 ? >LEU~B 103 -11.59 38.47 54.38 -9.48 38.10 54.10 -10.53 38.29 54.24 3 0 1000.00 -999 ? >ASN~B 104 -15.63 41.78 55.93 -16.49 41.46 57.85 -16.06 41.62 56.89 2 0 1000.00 -999 ? >GLU.B 105 -12.09 40.87 51.58 -11.85 42.82 50.79 -11.97 41.85 51.19 2 0 1000.00 -999 ? >ASP.B 106 -17.98 40.81 48.21 -17.61 42.92 47.99 -17.80 41.86 48.10 2 0 1000.00 -999 ? >PHE.B 107 -13.96 41.11 43.13 -13.19 41.03 40.44 -13.58 41.07 41.79 3 0 1000.00 -999 ? >THR.B 108 -10.98 38.08 44.31 -10.36 36.14 45.08 -10.67 37.11 44.70 2 0 1000.00 -999 ? >VAL.B 109 -9.08 36.82 41.24 -7.35 38.14 41.07 -8.21 37.48 41.16 3 0 1000.00 -999 ? >ILE.B 110 -9.65 32.58 39.43 -10.66 31.60 39.53 -10.15 32.09 39.48 3 0 1000.00 -999 ? >THR.B 111 -5.21 32.59 37.99 -3.70 34.14 37.87 -4.46 33.37 37.93 2 0 1000.00 -999 ? >PRO.B 112 -5.36 28.45 36.58 -3.96 29.75 37.73 -4.66 29.10 37.16 3 0 1000.00 -999 ? >ALA.B 113 -1.27 30.77 35.10 -1.79 31.83 34.13 -1.53 31.30 34.61 2 0 1000.00 -999 ? >LEU~B 114 3.20 30.14 35.62 5.18 30.85 36.24 4.19 30.50 35.93 3 0 1000.00 -999 ? >PRO~B 115 1.76 33.23 30.99 2.87 31.36 31.45 2.31 32.29 31.22 3 0 1000.00 -999 ? >VAL~B 116 6.76 30.58 30.65 8.55 31.13 31.76 7.66 30.85 31.21 3 0 1000.00 -999 ? >ASN~B 117 6.09 27.00 33.77 7.93 27.52 34.76 7.01 27.26 34.26 2 0 1000.00 -999 ? >GLY.B 118 3.43 26.13 29.76 3.27 26.48 30.43 3.35 26.30 30.09 1 0 1000.00 -999 ? >ARG^B 119 -0.14 24.87 33.65 1.66 22.41 33.20 0.76 23.64 33.42 2 0 1000.00 -999 ? >THR^B 120 -1.57 29.86 29.78 -0.53 29.61 27.89 -1.05 29.74 28.83 2 0 1000.00 -999 ? >ILE^B 121 -5.46 31.95 31.22 -6.20 31.83 32.51 -5.83 31.89 31.86 3 0 1000.00 -999 ? >PHE^B 122 -6.62 33.49 24.45 -7.57 35.34 22.59 -7.10 34.41 23.52 3 0 1000.00 -999 ? >ASN.B 123 -11.09 33.23 25.49 -11.47 34.75 24.04 -11.28 33.99 24.77 2 0 1000.00 -999 ? >GLY.B 124 -10.54 32.09 30.22 -10.26 31.70 29.59 -10.40 31.90 29.91 1 0 1000.00 -999 ? >TYR^B 125 -11.14 28.44 26.92 -13.75 28.64 25.92 -12.45 28.54 26.42 3 0 1000.00 -999 ? >LEU^B 126 -6.62 26.36 31.95 -5.05 26.24 33.41 -5.84 26.30 32.68 3 0 1000.00 -999 ? >PHE^B 127 -4.41 26.82 26.16 -6.39 27.68 24.37 -5.40 27.25 25.26 3 0 1000.00 -999 ? >VAL^B 128 -1.25 22.93 29.29 -1.57 21.40 30.80 -1.41 22.17 30.05 3 0 1000.00 -999 ? >GLY.B 129 1.68 23.23 26.92 0.87 23.59 26.86 1.28 23.41 26.89 1 0 1000.00 -999 ? >ASP.B 130 1.12 22.83 22.16 3.02 23.73 21.85 2.07 23.28 22.01 2 0 1000.00 -999 ? >VAL^B 131 -3.09 22.04 24.25 -2.51 19.92 24.07 -2.80 20.98 24.16 3 0 1000.00 -999 ? >LEU^B 132 -7.72 22.51 25.58 -9.07 23.89 24.65 -8.40 23.20 25.11 3 0 1000.00 -999 ? >LEU.B 133 -7.08 22.31 30.89 -7.24 21.72 32.97 -7.16 22.02 31.93 3 0 1000.00 -999 ? >SER~B 134 -9.35 19.20 28.71 -10.54 20.54 27.03 -9.94 19.87 27.87 2 0 1000.00 -999 ? >GLU~B 135 -8.18 18.71 24.10 -7.93 19.57 22.18 -8.06 19.14 23.14 2 0 1000.00 -999 ? >SER~B 136 -4.07 17.12 28.40 -4.19 18.30 30.53 -4.13 17.71 29.47 2 0 1000.00 -999 ? >GLY~B 137 -3.08 14.26 30.68 -3.54 14.92 30.86 -3.31 14.59 30.77 1 0 1000.00 -999 ? >MET~B 138 -5.30 15.88 33.31 -4.03 16.92 36.19 -4.67 16.40 34.75 2 0 1000.00 -999 ? >LYS~B 139 -8.50 14.66 31.61 -7.48 12.86 25.59 -7.99 13.76 28.60 2 0 1000.00 -999 ? >ASN~B 140 -6.64 10.26 31.93 -7.16 10.18 29.88 -6.90 10.22 30.91 2 0 1000.00 -999 ? >HIS~B 141 -5.81 13.73 38.08 -4.78 13.87 39.90 -5.29 13.80 38.99 3 0 1000.00 -999 ? >PRO.B 142 -5.44 9.56 39.48 -7.38 9.98 38.49 -6.41 9.77 38.99 3 0 1000.00 -999 ? >ILE.B 143 -7.98 12.42 42.72 -7.45 12.23 44.06 -7.71 12.32 43.39 3 0 1000.00 -999 ? >THR.B 144 -9.55 15.33 39.71 -8.38 16.62 41.02 -8.97 15.97 40.36 2 0 1000.00 -999 ? >PRO.B 145 -12.13 13.53 36.65 -10.22 14.68 36.73 -11.17 14.10 36.69 3 0 1000.00 -999 ? >MET.B 146 -10.32 17.98 34.14 -9.61 19.34 36.96 -9.97 18.66 35.55 2 0 1000.00 -999 ? >VAL.B 147 -12.70 17.58 31.20 -14.20 16.23 32.03 -13.45 16.90 31.62 3 0 1000.00 -999 ? >ASP.B 148 -14.68 21.75 31.45 -15.56 23.49 30.62 -15.12 22.62 31.04 2 0 1000.00 -999 ? >ALA.B 149 -10.70 23.90 30.08 -9.89 23.90 28.79 -10.29 23.90 29.43 2 0 1000.00 -999 ? >ASN~B 150 -14.27 27.20 30.12 -14.93 29.24 30.21 -14.60 28.22 30.17 2 0 1000.00 -999 ? >LEU~B 151 -10.70 29.13 34.51 -8.67 28.43 34.71 -9.69 28.78 34.61 3 0 1000.00 -999 ? >MET~B 152 -15.21 30.22 34.70 -13.85 32.86 32.31 -14.53 31.54 33.51 2 0 1000.00 -999 ? >ARG~B 153 -18.72 26.21 30.71 -17.14 25.96 28.09 -17.93 26.08 29.40 2 0 1000.00 -999 ? >LEU~B 154 -13.47 24.84 36.31 -12.61 23.46 34.84 -13.04 24.15 35.58 3 0 1000.00 -999 ? >MET~B 155 -15.27 27.68 39.24 -13.81 29.08 41.91 -14.54 28.38 40.57 2 0 1000.00 -999 ? >ASP~B 156 -19.78 28.64 37.61 -19.71 30.69 37.11 -19.74 29.67 37.36 2 0 1000.00 -999 ? >ALA~B 157 -19.79 24.61 39.49 -19.16 23.50 38.67 -19.48 24.05 39.08 2 0 1000.00 -999 ? >GLN~B 158 -15.93 24.39 41.60 -13.84 23.98 41.52 -14.88 24.19 41.56 2 0 1000.00 -999 ? >ALA~B 159 -18.61 28.14 44.03 -17.89 29.29 43.33 -18.25 28.72 43.68 2 0 1000.00 -999 ? >LYS.B 160 -21.42 30.10 45.71 -22.76 26.63 49.91 -22.09 28.37 47.81 2 0 1000.00 -999 ? >GLY.B 161 -20.93 33.09 43.42 -20.68 32.37 43.13 -20.80 32.73 43.28 1 0 1000.00 -999 ? >LYS^B 162 -20.30 33.69 39.74 -23.77 29.99 38.05 -22.04 31.84 38.90 2 0 1000.00 -999 ? >THR^B 163 -16.96 34.01 37.95 -15.46 32.48 38.19 -16.21 33.25 38.07 2 0 1000.00 -999 ? >GLY^B 164 -16.14 36.73 35.42 -15.50 36.25 35.66 -15.82 36.49 35.54 1 0 1000.00 -999 ? >LEU^B 165 -13.43 36.61 31.74 -11.90 35.94 30.34 -12.67 36.28 31.04 3 0 1000.00 -999 ? >VAL^B 166 -10.63 40.07 32.41 -9.59 41.34 33.85 -10.11 40.70 33.13 3 0 1000.00 -999 ? >ALA~B 167 -9.70 39.26 28.82 -10.67 39.43 27.67 -10.19 39.34 28.24 2 0 1000.00 -999 ? >TYR~B 168 -4.53 38.87 25.42 -2.24 39.62 24.01 -3.39 39.24 24.71 3 0 1000.00 -999 ? >ALA~B 169 -7.03 42.54 25.18 -8.26 42.65 24.28 -7.64 42.59 24.73 2 0 1000.00 -999 ? >ASP~B 170 -9.02 44.31 29.19 -10.83 44.81 28.18 -9.93 44.56 28.68 2 0 1000.00 -999 ? >VAL~B 171 -4.92 43.06 30.37 -4.61 41.10 31.30 -4.77 42.08 30.83 3 0 1000.00 -999 ? >ILE~B 172 -2.06 43.85 26.47 -2.38 43.09 25.29 -2.22 43.47 25.88 3 0 1000.00 -999 ? >LYS.B 173 -3.70 47.87 28.31 -8.90 49.24 25.01 -6.30 48.55 26.66 2 0 1000.00 -999 ? >GLY~B 174 -2.25 48.12 31.80 -2.94 47.71 31.81 -2.59 47.92 31.81 1 0 1000.00 -999 ? >ALA~B 175 -2.95 47.72 35.50 -1.91 47.93 36.59 -2.43 47.82 36.05 2 0 1000.00 -999 ? >SER~B 176 -5.22 50.75 35.53 -5.60 53.17 35.50 -5.41 51.96 35.52 2 0 1000.00 -999 ? >ARG~B 177 -9.33 48.99 30.47 -12.34 48.71 29.89 -10.83 48.85 30.18 2 0 1000.00 -999 ? >VAL~B 178 -7.54 45.89 34.53 -6.15 44.21 34.72 -6.85 45.05 34.62 3 0 1000.00 -999 ? >GLN~B 179 -6.81 48.23 39.01 -6.11 49.60 40.45 -6.46 48.92 39.73 2 0 1000.00 -999 ? >GLU~B 180 -10.67 51.31 34.67 -9.89 52.21 32.93 -10.28 51.76 33.80 2 0 1000.00 -999 ? >CYH~B 181 -12.64 45.65 34.61 -11.24 45.34 32.22 -11.94 45.50 33.41 2 0 1000.00 -999 ? >PHE~B 182 -10.22 43.85 39.07 -7.91 42.30 38.77 -9.06 43.08 38.92 3 0 1000.00 -999 ? >ALA~B 183 -14.91 47.33 39.09 -14.53 48.79 38.93 -14.72 48.06 39.01 2 0 1000.00 -999 ? >GLU~B 184 -17.59 46.38 33.55 -16.69 46.31 31.65 -17.14 46.34 32.60 2 0 1000.00 -999 ? >LEU~B 185 -16.10 41.90 37.04 -15.24 40.76 35.39 -15.67 41.33 36.22 3 0 1000.00 -999 ? >LYS~B 186 -18.14 43.76 40.65 -13.64 46.15 42.75 -15.89 44.96 41.70 2 0 1000.00 -999 ? >ALA~B 187 -21.08 45.87 39.48 -20.95 47.10 38.60 -21.01 46.48 39.04 2 0 1000.00 -999 ? >GLN~B 188 -21.25 43.52 35.05 -20.24 42.88 33.30 -20.75 43.20 34.18 2 0 1000.00 -999 ? >GLY.B 189 -22.58 40.65 40.42 -21.92 40.63 39.99 -22.25 40.64 40.20 1 0 1000.00 -999 ? >TYR^B 190 -19.19 38.49 37.34 -20.42 37.78 34.94 -19.80 38.14 36.14 3 0 1000.00 -999 ? >ARG^B 191 -18.69 35.38 46.25 -18.47 36.68 49.03 -18.58 36.03 47.64 2 0 1000.00 -999 ? >TYR^B 192 -15.11 34.03 42.32 -16.93 32.74 44.00 -16.02 33.39 43.16 3 0 1000.00 -999 ? >ALA^B 193 -12.50 37.02 38.15 -12.21 38.51 38.15 -12.36 37.76 38.15 2 0 1000.00 -999 ? >VAL^B 194 -10.37 34.88 35.88 -10.62 32.90 34.95 -10.49 33.89 35.41 3 0 1000.00 -999 ? >VAL^B 195 -7.54 36.84 34.21 -6.80 38.63 35.25 -7.17 37.74 34.73 3 0 1000.00 -999 ? >ASP.B 196 -6.26 36.51 29.54 -7.93 35.46 28.74 -7.09 35.99 29.14 2 0 1000.00 -999 ? >ALA.B 197 -2.10 35.50 30.58 -1.60 35.30 32.00 -1.85 35.40 31.29 2 0 1000.00 -999 ? >VAL.B 198 -0.59 33.94 27.48 -1.95 34.52 25.86 -1.27 34.23 26.67 3 0 1000.00 -999 ? >ASP.B 199 2.77 36.99 27.24 4.74 37.60 27.04 3.75 37.29 27.14 2 0 1000.00 -999 ? >ASN~B 200 5.84 36.16 31.87 6.14 34.21 32.70 5.99 35.19 32.29 2 0 1000.00 -999 ? >SER~B 201 3.91 40.30 31.21 3.72 40.76 28.82 3.82 40.53 30.02 2 0 1000.00 -999 ? >GLN~B 202 -1.27 39.20 29.70 -0.01 38.68 28.08 -0.64 38.94 28.89 2 0 1000.00 -999 ? >LEU~B 203 1.87 37.20 35.51 1.03 35.24 35.38 1.45 36.22 35.45 3 0 1000.00 -999 ? >GLU~B 204 5.16 43.10 35.69 6.93 43.54 34.62 6.04 43.32 35.15 2 0 1000.00 -999 ? >VAL~B 205 0.22 43.70 35.16 -0.81 44.35 33.32 -0.29 44.03 34.24 3 0 1000.00 -999 ? >LEU~B 206 -2.44 40.18 37.07 -4.30 39.28 37.70 -3.37 39.73 37.38 3 0 1000.00 -999 ? >ALA~B 207 0.41 41.64 40.29 1.90 41.33 40.21 1.15 41.48 40.25 2 0 1000.00 -999 ? >GLU~B 208 0.55 47.82 39.53 1.28 49.10 38.01 0.92 48.46 38.77 2 0 1000.00 -999 ? >ALA~B 209 -3.61 45.49 39.77 -4.33 44.88 38.56 -3.97 45.19 39.17 2 0 1000.00 -999 ? >VAL~B 210 -4.16 43.33 42.86 -3.93 41.26 42.18 -4.05 42.30 42.52 3 0 1000.00 -999 ? >ALA.B 211 -1.64 45.30 44.96 -0.98 46.58 44.48 -1.31 45.94 44.72 2 0 1000.00 -999 ? >ASP.B 212 -4.84 47.60 47.56 -3.26 49.01 47.53 -4.05 48.30 47.55 2 0 1000.00 -999 ? >PHE.B 213 -7.19 42.22 45.16 -8.88 42.77 43.01 -8.04 42.50 44.08 3 0 1000.00 -999 ? >LYS.B 214 -6.90 41.26 50.83 -6.24 42.60 55.58 -6.57 41.93 53.20 2 0 1000.00 -999 ? >LEU^B 215 -8.52 37.14 49.43 -8.77 34.98 49.53 -8.64 36.06 49.48 3 0 1000.00 -999 ? >VAL^B 216 -5.92 36.61 45.72 -4.19 37.97 45.59 -5.06 37.29 45.66 3 0 1000.00 -999 ? >THR^B 217 -5.95 33.05 44.42 -8.09 32.62 44.45 -7.02 32.84 44.43 2 0 1000.00 -999 ? >GLY^B 218 -3.82 31.24 41.87 -3.67 30.89 42.58 -3.74 31.07 42.22 1 0 1000.00 -999 ? >GLY.B 219 -0.83 29.02 41.23 -0.73 29.85 41.44 -0.78 29.44 41.33 1 0 1000.00 -999 ? >SER~B 220 2.81 29.97 41.63 3.63 27.78 42.34 3.22 28.88 41.99 2 0 1000.00 -999 ? >GLY~B 221 2.84 32.45 38.75 2.57 32.59 39.47 2.71 32.52 39.11 1 0 1000.00 -999 ? >LEU~B 222 -0.55 35.49 40.45 -1.60 37.40 40.60 -1.08 36.44 40.53 3 0 1000.00 -999 ? >GLY~B 223 2.53 34.92 43.69 2.90 35.06 42.95 2.72 34.99 43.32 1 0 1000.00 -999 ? >ALA~B 224 5.99 35.14 42.21 6.54 34.16 41.17 6.26 34.65 41.69 2 0 1000.00 -999 ? >TYR~B 225 5.01 38.15 37.94 6.76 37.46 35.85 5.88 37.80 36.90 3 0 1000.00 -999 ? >MET~B 226 3.52 39.91 43.55 -0.12 38.28 44.61 1.70 39.10 44.08 2 0 1000.00 -999 ? >ALA~B 227 6.76 39.00 45.36 7.33 37.60 45.45 7.04 38.30 45.40 2 0 1000.00 -999 ? >ALA~B 228 8.90 40.56 42.65 8.88 40.13 41.20 8.89 40.35 41.93 2 0 1000.00 -999 ? >ARG~B 229 3.29 45.25 42.69 2.24 45.95 45.49 2.77 45.60 44.09 2 0 1000.00 -999 ? >LEU~B 230 6.16 42.94 47.75 4.10 42.73 48.39 5.13 42.83 48.07 3 0 1000.00 -999 ? >SER~B 231 10.54 43.36 47.06 11.36 41.72 45.46 10.95 42.54 46.26 2 0 1000.00 -999 ? >GLY~B 232 11.33 45.80 44.28 11.52 45.01 44.23 11.42 45.41 44.25 1 0 1000.00 -999 ? >GLY.B 233 12.79 43.53 41.61 12.95 43.47 42.35 12.87 43.50 41.98 1 0 1000.00 -999 ? >LYS.B 234 15.06 41.64 44.01 19.25 41.01 46.29 17.15 41.33 45.15 2 0 1000.00 -999 ? >LYS.B 235 16.40 38.15 43.31 14.35 36.54 38.70 15.37 37.35 41.00 2 0 1000.00 -999 ? >GLY.B 236 17.27 35.13 45.42 17.86 35.46 44.97 17.56 35.30 45.19 1 0 1000.00 -999 ? >THR.B 237 21.02 35.58 45.01 21.41 36.69 43.17 21.21 36.13 44.09 2 0 1000.00 -999 ? >ASN.B 238 20.89 38.38 48.85 22.43 39.69 48.19 21.66 39.04 48.52 2 0 1000.00 -999 ? >ALA.B 239 19.35 34.02 50.31 18.43 33.04 49.63 18.89 33.53 49.97 2 0 1000.00 -999 ? >PHE.B 240 19.42 30.98 54.87 17.53 28.96 55.33 18.48 29.97 55.10 3 0 1000.00 -999 ? >THR.B 241 23.39 29.21 52.96 24.83 29.96 51.50 24.11 29.58 52.23 2 0 1000.00 -999 ? >PRO.B 242 23.28 25.04 54.09 24.04 26.90 54.97 23.66 25.97 54.53 3 0 1000.00 -999 ? >THR.B 243 26.81 27.55 58.13 25.80 28.46 59.84 26.31 28.01 58.99 2 0 1000.00 -999 ? >LYS.B 244 29.88 25.26 58.13 34.20 25.28 55.84 32.04 25.27 56.98 2 0 1000.00 -999 ? >GLY.B 245 29.29 22.00 59.97 29.43 21.80 59.18 29.36 21.90 59.57 1 0 1000.00 -999 ? >LYS^B 246 28.80 18.23 59.73 32.61 19.58 63.29 30.70 18.90 61.51 2 0 1000.00 -999 ? >THR^B 247 26.97 17.12 56.56 26.87 18.55 54.91 26.92 17.83 55.74 2 0 1000.00 -999 ? >VAL^B 248 25.42 13.81 55.40 24.13 12.55 56.67 24.77 13.18 56.03 3 0 1000.00 -999 ? >VAL^B 249 23.86 12.70 52.12 24.52 13.17 50.10 24.19 12.93 51.11 3 0 1000.00 -999 ? >LEU^B 250 20.09 10.44 53.74 20.75 10.27 55.80 20.42 10.35 54.77 3 0 1000.00 -999 ? >SER^B 251 19.77 9.10 49.03 21.35 10.28 47.61 20.56 9.69 48.32 2 0 1000.00 -999 ? >GLY.B 252 16.80 6.82 48.69 16.91 7.31 48.01 16.85 7.07 48.35 1 0 1000.00 -999 ? >SER.B 253 15.42 7.76 45.27 14.15 9.34 43.92 14.78 8.55 44.60 2 0 1000.00 -999 ? >CYH.B 254 15.96 5.19 42.51 15.75 2.97 44.21 15.86 4.08 43.36 2 0 1000.00 -999 ? >SER~B 255 15.04 7.69 39.81 13.13 8.99 40.51 14.08 8.34 40.16 2 0 1000.00 -999 ? >VAL~B 256 17.37 7.91 36.82 16.18 7.94 34.99 16.77 7.92 35.90 3 0 1000.00 -999 ? >MET~B 257 18.47 11.32 38.06 19.30 14.20 36.91 18.89 12.76 37.48 2 0 1000.00 -999 ? >THR~B 258 19.29 10.24 41.59 18.15 10.14 43.41 18.72 10.19 42.50 2 0 1000.00 -999 ? >ASN~B 259 20.24 6.06 39.27 19.62 4.32 40.34 19.93 5.19 39.81 2 0 1000.00 -999 ? >LYS~B 260 23.13 9.36 38.05 22.84 12.28 34.82 22.98 10.82 36.43 2 0 1000.00 -999 ? >GLN~B 261 22.07 13.77 40.47 20.29 14.65 41.20 21.18 14.21 40.84 2 0 1000.00 -999 ? >VAL~B 262 24.79 8.98 42.99 23.71 7.38 44.03 24.25 8.18 43.51 3 0 1000.00 -999 ? >GLU~B 263 28.19 5.70 39.56 30.32 5.72 39.34 29.25 5.71 39.45 2 0 1000.00 -999 ? >LYS~B 264 28.92 11.39 39.96 32.18 14.79 37.47 30.55 13.09 38.71 2 0 1000.00 -999 ? >TYR~B 265 28.23 12.74 45.95 28.94 13.85 48.39 28.58 13.30 47.17 3 0 1000.00 -999 ? >ARG~B 266 30.56 4.99 42.76 28.27 3.12 43.56 29.41 4.05 43.16 2 0 1000.00 -999 ? >GLU~B 267 33.31 9.36 40.58 33.19 10.51 38.80 33.25 9.94 39.69 2 0 1000.00 -999 ? >LYS.B 268 34.29 12.44 45.45 36.79 15.21 42.78 35.54 13.83 44.11 2 0 1000.00 -999 ? >ALA.B 269 33.07 11.38 48.90 31.97 12.23 49.51 32.52 11.80 49.21 2 0 1000.00 -999 ? >PRO.B 270 33.46 9.49 52.73 33.11 8.77 50.64 33.28 9.13 51.68 3 0 1000.00 -999 ? >HIS^B 271 30.54 5.72 47.67 32.24 5.16 46.57 31.39 5.44 47.12 3 0 1000.00 -999 ? >PHE^B 272 27.66 1.94 53.60 27.23 -0.47 54.98 27.44 0.74 54.29 3 0 1000.00 -999 ? >GLN^B 273 23.88 0.17 47.67 24.01 -1.48 46.34 23.94 -0.65 47.00 2 0 1000.00 -999 ? >LEU.B 274 21.21 1.76 52.44 19.43 1.68 53.69 20.32 1.72 53.06 3 0 1000.00 -999 ? >ASP~B 275 22.39 -4.14 51.66 21.62 -5.96 50.89 22.00 -5.05 51.27 2 0 1000.00 -999 ? >VAL~B 276 17.74 -3.61 51.45 16.41 -4.26 49.86 17.07 -3.93 50.65 3 0 1000.00 -999 ? >GLU~B 277 19.03 -9.68 52.08 19.43 -10.30 54.06 19.23 -9.99 53.07 2 0 1000.00 -999 ? >GLN~B 278 22.72 -6.34 54.90 22.99 -8.20 55.90 22.85 -7.27 55.40 2 0 1000.00 -999 ? >ALA~B 279 17.78 -3.33 56.53 17.28 -2.24 55.59 17.53 -2.79 56.06 2 0 1000.00 -999 ? >ILE~B 280 14.40 -6.65 55.81 13.42 -6.76 54.84 13.91 -6.70 55.33 3 0 1000.00 -999 ? >HIS~B 281 16.46 -10.73 57.24 15.00 -11.74 56.12 15.73 -11.24 56.68 3 0 1000.00 -999 ? >ASN~B 282 21.31 -6.94 60.18 22.94 -7.15 61.53 22.12 -7.05 60.85 2 0 1000.00 -999 ? >GLU.B 283 19.37 -6.01 66.84 20.05 -6.92 68.64 19.71 -6.47 67.74 2 0 1000.00 -999 ? >ASN~B 284 23.45 -3.65 65.61 22.75 -3.49 67.64 23.10 -3.57 66.63 2 0 1000.00 -999 ? >TYR~B 285 22.01 -2.62 58.45 23.11 -2.18 55.90 22.56 -2.40 57.17 3 0 1000.00 -999 ? >ILE~B 286 20.24 1.59 62.98 19.26 2.15 62.08 19.75 1.87 62.53 3 0 1000.00 -999 ? >GLU~B 287 25.69 0.23 66.50 25.85 2.00 67.67 25.77 1.11 67.08 2 0 1000.00 -999 ? >GLN~B 288 27.29 -1.97 59.87 26.82 -3.70 58.70 27.05 -2.83 59.28 2 0 1000.00 -999 ? >LEU~B 289 24.23 2.72 58.69 23.57 1.85 56.83 23.90 2.29 57.76 3 0 1000.00 -999 ? >TYR~B 290 25.34 6.16 64.44 26.18 7.92 66.46 25.76 7.04 65.45 3 0 1000.00 -999 ? >GLN~B 291 29.30 2.85 65.10 30.32 4.32 66.26 29.81 3.58 65.68 2 0 1000.00 -999 ? >TRP~B 292 31.47 3.01 56.35 29.99 5.95 54.19 30.73 4.48 55.27 3 0 1000.00 -999 ? >VAL~B 293 28.90 7.80 58.94 26.89 8.56 58.43 27.89 8.18 58.69 3 0 1000.00 -999 ? >ILE~B 294 30.08 9.15 63.54 29.39 8.45 64.60 29.73 8.80 64.07 3 0 1000.00 -999 ? >ALA~B 295 33.79 7.71 61.06 33.94 6.21 60.90 33.86 6.96 60.98 2 0 1000.00 -999 ? >ASN~B 296 33.20 8.57 56.44 34.20 6.71 56.20 33.70 7.64 56.32 2 0 1000.00 -999 ? >LEU.B 297 31.85 13.23 59.91 29.72 13.08 60.27 30.78 13.15 60.09 3 0 1000.00 -999 ? >ASP.B 298 37.04 14.48 59.55 36.44 15.49 61.31 36.74 14.98 60.43 2 0 1000.00 -999 ? >SER.B 299 36.41 14.24 54.67 36.44 11.85 54.19 36.43 13.05 54.43 2 0 1000.00 -999 ? >GLU.B 300 36.75 18.46 50.06 37.21 18.32 48.00 36.98 18.39 49.03 2 0 1000.00 -999 ? >PHE.B 301 32.68 16.80 48.74 33.35 18.81 46.91 33.02 17.80 47.82 3 0 1000.00 -999 ? >ALA.B 302 29.70 14.51 53.04 28.31 15.12 53.08 29.00 14.82 53.06 2 0 1000.00 -999 ? >PRO.B 303 29.52 11.13 55.73 29.67 11.44 53.52 29.60 11.28 54.62 3 0 1000.00 -999 ? >MET^B 304 26.77 9.26 51.32 25.40 9.33 47.40 26.09 9.30 49.36 2 0 1000.00 -999 ? >VAL^B 305 24.58 6.37 52.48 24.25 5.47 54.45 24.42 5.92 53.47 3 0 1000.00 -999 ? >TYR^B 306 24.03 5.32 47.65 26.14 3.73 46.75 25.08 4.52 47.20 3 0 1000.00 -999 ? >ALA.B 307 19.53 3.06 49.12 18.23 3.10 49.89 18.88 3.08 49.50 2 0 1000.00 -999 ? >THR.B 308 19.52 4.37 45.53 19.77 6.35 44.68 19.65 5.36 45.10 2 0 1000.00 -999 ? >VAL.B 309 19.80 1.23 43.42 18.83 -0.30 44.65 19.32 0.47 44.04 3 0 1000.00 -999 ? >PRO~B 310 21.19 -0.17 39.50 19.41 0.87 40.35 20.30 0.35 39.92 3 0 1000.00 -999 ? >PRO~B 311 16.20 2.61 37.04 16.11 1.48 38.96 16.15 2.04 38.00 3 0 1000.00 -999 ? >ASP~B 312 15.96 -2.51 36.16 15.19 -1.48 34.48 15.57 -2.00 35.32 2 0 1000.00 -999 ? >ALA~B 313 17.25 -3.77 40.29 18.65 -3.39 40.76 17.95 -3.58 40.53 2 0 1000.00 -999 ? >LEU~B 314 14.15 -0.64 42.27 12.73 0.49 43.48 13.44 -0.07 42.88 3 0 1000.00 -999 ? >LYS~B 315 11.80 -3.89 40.61 8.24 -3.45 36.43 10.02 -3.67 38.52 2 0 1000.00 -999 ? >ALA~B 316 13.69 -7.08 41.41 15.10 -7.39 40.92 14.40 -7.24 41.17 2 0 1000.00 -999 ? >ILE~B 317 15.22 -4.88 45.45 16.27 -4.22 46.20 15.74 -4.55 45.82 3 0 1000.00 -999 ? >GLN~B 318 10.63 -2.88 45.26 9.44 -1.24 44.63 10.03 -2.06 44.94 2 0 1000.00 -999 ? >HIS~B 319 8.50 -8.44 41.86 6.97 -7.67 40.66 7.73 -8.06 41.26 3 0 1000.00 -999 ? >GLN~B 320 14.05 -11.62 47.15 16.17 -11.41 46.99 15.11 -11.52 47.07 2 0 1000.00 -999 ? >PHE~B 321 14.14 -8.56 50.18 16.59 -9.89 50.06 15.36 -9.22 50.12 3 0 1000.00 -999 ? >GLY~B 322 8.24 -7.18 49.23 8.93 -6.75 49.00 8.59 -6.96 49.12 1 0 1000.00 -999 ? >VAL.B 323 7.11 -3.64 48.48 5.48 -3.85 47.03 6.29 -3.75 47.75 3 0 1000.00 -999 ? >ASP~B 324 4.75 -2.53 52.51 3.38 -1.38 51.38 4.06 -1.96 51.95 2 0 1000.00 -999 ? >GLN~B 325 9.82 -6.91 54.41 9.19 -7.21 56.43 9.51 -7.06 55.42 2 0 1000.00 -999 ? >ALA~B 326 11.50 -3.27 51.73 11.75 -3.65 50.28 11.63 -3.46 51.01 2 0 1000.00 -999 ? >SER~B 327 10.05 0.25 51.91 8.59 2.03 51.11 9.32 1.14 51.51 2 0 1000.00 -999 ? >HIS~B 328 8.88 -0.42 58.02 9.14 -0.15 60.09 9.01 -0.28 59.05 3 0 1000.00 -999 ? >ALA~B 329 13.20 -0.90 56.26 13.77 -2.17 55.66 13.48 -1.54 55.96 2 0 1000.00 -999 ? >ILE~B 330 14.76 1.72 52.46 15.29 1.20 52.05 15.02 1.46 52.25 3 0 1000.00 -999 ? >GLU~B 331 11.22 4.96 53.73 9.15 4.84 53.38 10.18 4.90 53.55 2 0 1000.00 -999 ? >ASN~B 332 12.60 1.92 59.53 12.76 1.59 61.63 12.68 1.76 60.58 2 0 1000.00 -999 ? >THR~B 333 16.81 2.92 58.58 18.07 1.40 57.67 17.44 2.16 58.12 2 0 1000.00 -999 ? >PHE~B 334 17.58 6.60 54.61 19.41 6.14 52.53 18.49 6.37 53.57 3 0 1000.00 -999 ? >ALA~B 335 14.87 7.94 59.77 13.41 7.59 59.97 14.14 7.77 59.87 2 0 1000.00 -999 ? >LYS~B 336 16.59 6.46 62.81 11.89 6.16 65.33 14.24 6.31 64.07 2 0 1000.00 -999 ? >LEU~B 337 20.48 6.44 59.93 22.44 6.45 58.98 21.46 6.44 59.46 3 0 1000.00 -999 ? >ALA~B 338 19.15 10.68 60.92 17.99 11.20 60.08 18.57 10.94 60.50 2 0 1000.00 -999 ? >ALA~B 339 17.99 11.25 64.51 16.76 10.61 65.14 17.38 10.93 64.82 2 0 1000.00 -999 ? >LYS~B 340 21.10 9.35 65.63 21.68 4.74 67.96 21.39 7.04 66.79 2 0 1000.00 -999 ? >LEU~B 341 23.41 11.63 62.10 24.45 10.22 60.84 23.93 10.93 61.47 3 0 1000.00 -999 ? >LYS~B 342 21.51 14.77 64.79 16.66 17.89 67.20 19.09 16.33 65.99 2 0 1000.00 -999 ? >GLN~B 343 20.28 13.50 69.78 20.32 15.50 70.57 20.30 14.50 70.18 2 0 1000.00 -999 ? >TYR~B 344 27.94 12.15 66.39 30.74 11.92 66.23 29.34 12.04 66.31 3 0 1000.00 -999 ? >GLY~B 345 26.21 16.71 65.98 25.99 16.20 65.42 26.10 16.46 65.70 1 0 1000.00 -999 ? >VAL^B 346 25.36 16.51 62.27 25.22 14.91 60.75 25.29 15.71 61.51 3 0 1000.00 -999 ? >THR^B 347 23.83 19.84 61.27 25.14 21.16 62.38 24.48 20.50 61.83 2 0 1000.00 -999 ? >ASN^B 348 24.57 20.18 56.67 25.18 22.05 57.51 24.87 21.12 57.09 2 0 1000.00 -999 ? >PHE^B 349 20.33 15.90 58.15 20.78 15.27 60.83 20.56 15.58 59.49 3 0 1000.00 -999 ? >ILE^B 350 22.21 16.28 51.27 22.99 16.98 50.22 22.60 16.63 50.75 3 0 1000.00 -999 ? >THR^B 351 18.04 13.91 51.46 16.62 14.42 53.00 17.33 14.17 52.23 2 0 1000.00 -999 ? >ALA^B 352 17.26 12.47 48.02 18.49 12.02 47.24 17.87 12.24 47.63 2 0 1000.00 -999 ? >GLY~B 353 13.79 11.08 47.39 13.77 11.78 47.85 13.78 11.43 47.62 1 0 1000.00 -999 ? >GLY~B 354 10.22 11.94 48.24 10.71 11.48 48.64 10.46 11.71 48.44 1 0 1000.00 -999 ? >GLU~B 355 8.73 7.74 52.64 7.28 8.80 53.80 8.01 8.27 53.22 2 0 1000.00 -999 ? >THR~B 356 13.29 9.74 52.40 15.22 8.97 51.74 14.26 9.36 52.07 2 0 1000.00 -999 ? >SER~B 357 13.02 13.52 52.84 13.86 14.45 50.76 13.44 13.99 51.80 2 0 1000.00 -999 ? >SER~B 358 9.61 13.29 54.53 8.05 13.95 52.77 8.83 13.62 53.65 2 0 1000.00 -999 ? >ILE~B 359 11.01 8.95 56.34 10.87 8.23 56.77 10.94 8.59 56.55 3 0 1000.00 -999 ? >VAL~B 360 13.71 12.23 57.96 15.72 12.57 57.16 14.71 12.40 57.56 3 0 1000.00 -999 ? >VAL~B 361 11.88 15.50 58.68 11.32 17.20 57.41 11.60 16.35 58.05 3 0 1000.00 -999 ? >GLN~B 362 7.14 12.06 60.83 6.21 10.26 60.17 6.68 11.16 60.50 2 0 1000.00 -999 ? >GLU~B 363 13.78 10.26 63.21 12.69 8.96 64.48 13.24 9.61 63.84 2 0 1000.00 -999 ? >LEU~B 364 14.50 15.83 62.42 16.44 15.04 61.85 15.47 15.44 62.13 3 0 1000.00 -999 ? >GLY~B 365 10.26 16.67 64.33 10.70 17.00 63.84 10.48 16.83 64.09 1 0 1000.00 -999 ? >PHE.B 366 13.10 19.98 61.85 15.72 19.46 62.71 14.41 19.72 62.28 3 0 1000.00 -999 ? >THR.B 367 7.34 21.80 61.93 6.70 22.17 63.97 7.02 21.99 62.95 2 0 1000.00 -999 ? >GLY^B 368 8.61 24.64 59.72 9.27 24.20 59.97 8.94 24.42 59.85 1 0 1000.00 -999 ? >PHE^B 369 11.83 23.41 57.15 11.81 20.76 58.03 11.82 22.08 57.59 3 0 1000.00 -999 ? >HIS^B 370 13.89 30.66 58.56 13.16 31.62 60.28 13.52 31.14 59.42 3 0 1000.00 -999 ? >ILE^B 371 12.52 29.32 51.83 12.15 27.98 51.50 12.34 28.65 51.67 3 0 1000.00 -999 ? >GLY^B 372 17.11 29.93 51.54 16.71 29.54 51.00 16.91 29.74 51.27 1 0 1000.00 -999 ? >LYS^B 373 19.45 29.95 48.55 24.75 32.65 46.79 22.10 31.30 47.67 2 0 1000.00 -999 ? >GLN^B 374 17.48 27.37 43.28 16.54 28.14 41.54 17.01 27.76 42.41 2 0 1000.00 -999 ? >ILE^B 375 20.72 23.55 45.73 21.09 22.71 46.78 20.91 23.13 46.25 3 0 1000.00 -999 ? >ALA^B 376 18.93 23.78 41.77 19.06 22.27 41.56 18.99 23.03 41.66 2 0 1000.00 -999 ? >PRO.B 377 16.45 24.16 38.26 16.27 24.73 40.41 16.36 24.44 39.33 3 0 1000.00 -999 ? >GLY.B 378 12.92 23.51 42.63 13.63 23.73 42.98 13.28 23.62 42.80 1 0 1000.00 -999 ? >VAL^B 379 15.21 22.73 45.55 15.80 20.73 44.87 15.50 21.73 45.21 3 0 1000.00 -999 ? >PRO^B 380 14.20 25.72 48.57 16.06 24.94 47.60 15.13 25.33 48.09 3 0 1000.00 -999 ? >TRP^B 381 22.04 25.24 50.13 22.50 21.95 52.25 22.27 23.60 51.19 3 0 1000.00 -999 ? >LEU^B 382 15.14 23.92 54.25 13.50 23.59 52.88 14.32 23.75 53.56 3 0 1000.00 -999 ? >LYS^B 383 16.71 25.55 57.94 17.29 28.47 62.11 17.00 27.01 60.02 2 0 1000.00 -999 ? >ALA^B 384 14.30 24.45 60.64 14.52 23.30 61.59 14.41 23.88 61.12 2 0 1000.00 -999 ? >VAL.B 385 12.54 27.17 62.64 10.41 27.27 62.05 11.48 27.22 62.34 3 0 1000.00 -999 ? >GLU.B 386 11.23 23.71 66.07 10.81 23.23 64.04 11.02 23.47 65.05 2 0 1000.00 -999 ? >GLU.B 387 17.03 22.74 65.92 17.24 21.15 67.28 17.14 21.94 66.60 2 0 1000.00 -999 ? >ASP.B 388 21.32 26.50 63.90 20.99 28.53 64.45 21.15 27.52 64.17 2 0 1000.00 -999 ? >ILE.B 389 18.89 21.41 61.87 19.90 20.37 62.26 19.40 20.89 62.07 3 0 1000.00 -999 ? >PHE^B 390 21.47 24.86 57.52 22.06 27.27 58.81 21.76 26.07 58.16 3 0 1000.00 -999 ? >LEU^B 391 17.09 19.73 55.56 16.13 19.52 57.49 16.61 19.62 56.53 3 0 1000.00 -999 ? >ALA^B 392 18.34 20.11 51.23 19.66 20.13 50.50 19.00 20.12 50.87 2 0 1000.00 -999 ? >LEU^B 393 13.93 18.25 50.92 13.58 18.27 53.07 13.75 18.26 52.00 3 0 1000.00 -999 ? >LYS^B 394 15.90 16.85 46.67 17.55 13.78 42.74 16.72 15.32 44.70 2 0 1000.00 -999 ? >SER.B 395 12.83 15.24 45.08 10.41 15.26 44.96 11.62 15.25 45.02 2 0 1000.00 -999 ? >GLY.B 396 13.81 12.26 42.89 13.69 13.00 42.66 13.75 12.63 42.77 1 0 1000.00 -999 ? >ASN.B 397 12.48 14.24 38.74 11.94 12.29 38.07 12.21 13.26 38.40 2 0 1000.00 -999 ? >PHE.B 398 13.06 18.60 41.68 10.27 18.53 41.84 11.66 18.56 41.76 3 0 1000.00 -999 ? >GLY.B 399 18.81 18.69 40.25 18.45 18.40 39.59 18.63 18.54 39.92 1 0 1000.00 -999 ? >LYS.B 400 21.53 18.32 37.62 25.61 21.21 39.22 23.57 19.77 38.42 2 0 1000.00 -999 ? >GLU.B 401 26.25 14.45 36.27 27.69 14.47 34.73 26.97 14.46 35.50 2 0 1000.00 -999 ? >ASP~B 402 27.88 16.98 40.33 28.33 18.61 39.06 28.10 17.80 39.69 2 0 1000.00 -999 ? >PHE~B 403 21.47 17.97 44.03 20.09 18.88 46.30 20.78 18.42 45.16 3 0 1000.00 -999 ? >PHE~B 404 24.38 14.28 46.07 22.08 12.70 45.95 23.23 13.49 46.01 3 0 1000.00 -999 ? >GLU~B 405 30.94 18.49 43.98 31.82 18.32 42.07 31.38 18.41 43.03 2 0 1000.00 -999 ? >TYR~B 406 26.18 23.02 42.64 25.86 25.75 42.16 26.02 24.39 42.40 3 0 1000.00 -999 ? >ALA~B 407 24.90 21.73 47.21 23.95 20.65 47.72 24.43 21.19 47.47 2 0 1000.00 -999 ? >GLN~B 408 27.91 19.39 50.48 28.98 17.61 50.90 28.44 18.50 50.69 2 0 1000.00 -999 ? >GLY~B 409 30.18 23.75 47.12 29.38 23.92 47.35 29.78 23.83 47.24 1 0 1000.00 -999 ? >MET.B 410 27.75 26.50 48.05 23.77 26.37 47.31 25.76 26.44 47.68 2 0 1000.00 -999 ? >PHE.B 411 27.78 25.43 53.02 27.58 22.66 53.43 27.68 24.05 53.23 3 0 1000.00 -999 ? >LEU.B 412 32.71 24.78 50.58 32.61 23.32 52.20 32.66 24.05 51.39 3 0 1000.00 -999 ?