REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 05-SEP-01 1JX7 COMPND HYPOTHETICAL PROTEIN YCHN; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR D.H.SHIN,H.YOKOTA,R.KIM,S.-H.KIM,BERKELEY STRUCTURAL AUTHOR 2 GENOMICS CENTER (BSGC) HET MSE A 1 8 HET MSE A 42 8 HET MSE A 64 8 HET MSE B 201 8 HET MSE B 242 8 HET MSE B 264 8 HET MSE C 401 8 HET MSE C 442 8 HET MSE C 464 8 HET MSE D 601 8 HET MSE D 642 8 HET MSE D 664 8 HET MSE E 801 8 HET MSE E 842 8 HET MSE E 864 8 HET MSE F1001 8 HET MSE F1042 8 HET MSE F1064 8 >MET?A 1 50.38 35.19 95.64 48.45 37.96 93.20 49.41 36.58 94.42 2 0 1000.00 -999 ? >GLN.A 2 45.84 31.54 96.21 45.31 30.97 98.19 45.58 31.25 97.20 2 0 1000.00 -999 ? >LYS^A 3 44.87 32.40 92.11 45.47 33.28 86.39 45.17 32.84 89.25 2 0 1000.00 -999 ? >ILE^A 4 40.89 31.99 94.58 40.52 31.74 95.92 40.70 31.87 95.25 3 0 1000.00 -999 ? >VAL^A 5 38.53 30.95 90.70 38.72 30.35 88.61 38.62 30.65 89.66 3 0 1000.00 -999 ? >ILE^A 6 34.43 32.03 92.81 33.74 32.37 94.11 34.08 32.20 93.46 3 0 1000.00 -999 ? >VAL^A 7 32.18 29.45 89.68 32.78 28.04 88.14 32.48 28.75 88.91 3 0 1000.00 -999 ? >ALA^A 8 28.43 29.81 90.16 28.13 31.19 90.69 28.28 30.50 90.43 2 0 1000.00 -999 ? >ASN.A 9 25.35 26.53 88.71 27.04 25.57 87.81 26.20 26.05 88.26 2 0 1000.00 -999 ? >GLY.A 10 22.64 29.45 90.87 22.95 29.86 90.35 22.79 29.66 90.61 1 0 1000.00 -999 ? >ALA.A 11 19.90 31.86 89.79 18.48 31.45 89.40 19.19 31.65 89.59 2 0 1000.00 -999 ? >PRO.A 12 20.86 36.07 89.72 20.02 34.64 91.20 20.44 35.35 90.46 3 0 1000.00 -999 ? >TYR.A 13 17.36 37.86 94.10 18.71 40.33 93.97 18.04 39.09 94.04 3 0 1000.00 -999 ? >GLY.A 14 15.75 32.25 93.94 16.55 32.31 94.32 16.15 32.28 94.13 1 0 1000.00 -999 ? >SER.A 15 18.63 30.24 95.31 20.61 30.59 93.87 19.62 30.42 94.59 2 0 1000.00 -999 ? >GLU~A 16 21.39 30.77 100.67 19.94 31.50 102.00 20.66 31.14 101.33 2 0 1000.00 -999 ? >SER~A 17 24.12 29.40 96.51 23.00 28.38 94.61 23.56 28.89 95.56 2 0 1000.00 -999 ? >LEU~A 18 23.80 33.00 93.29 24.29 34.75 92.13 24.05 33.88 92.71 3 0 1000.00 -999 ? >PHE~A 19 23.30 35.70 99.39 23.67 37.24 101.70 23.48 36.47 100.54 3 0 1000.00 -999 ? >ASN~A 20 26.61 31.24 99.73 25.20 31.00 101.31 25.91 31.12 100.52 2 0 1000.00 -999 ? >SER~A 21 29.36 32.66 96.46 29.00 30.96 94.81 29.18 31.81 95.64 2 0 1000.00 -999 ? >LEU~A 22 28.31 37.31 95.89 28.01 37.56 93.77 28.16 37.43 94.83 3 0 1000.00 -999 ? >ARG~A 23 27.26 36.36 103.33 25.91 34.03 104.78 26.58 35.19 104.06 2 0 1000.00 -999 ? >LEU~A 24 32.47 32.93 99.89 34.17 31.59 100.11 33.32 32.26 100.00 3 0 1000.00 -999 ? >ALA~A 25 34.10 36.27 97.41 33.43 36.49 96.05 33.76 36.38 96.73 2 0 1000.00 -999 ? >ILE~A 26 32.56 40.40 99.47 31.57 41.45 99.32 32.06 40.93 99.39 3 0 1000.00 -999 ? >ALA~A 27 35.22 37.97 102.19 34.52 36.83 102.91 34.87 37.40 102.55 2 0 1000.00 -999 ? >LEU~A 28 38.20 35.54 99.24 37.90 33.40 99.40 38.05 34.47 99.32 3 0 1000.00 -999 ? >ARG~A 29 40.49 40.91 96.85 40.84 42.64 94.36 40.67 41.77 95.61 2 0 1000.00 -999 ? >GLU~A 30 36.31 42.21 102.81 34.77 42.69 104.18 35.54 42.45 103.50 2 0 1000.00 -999 ? >GLN~A 31 39.88 36.91 104.72 40.20 37.15 106.80 40.04 37.03 105.76 2 0 1000.00 -999 ? >GLU~A 32 45.12 37.43 101.68 46.40 35.96 100.86 45.76 36.70 101.27 2 0 1000.00 -999 ? >SER.A 33 43.39 42.90 99.49 43.87 45.29 99.32 43.63 44.10 99.41 2 0 1000.00 -999 ? >ASN.A 34 47.17 41.65 96.90 48.17 42.86 95.46 47.67 42.26 96.18 2 0 1000.00 -999 ? >LEU.A 35 42.94 37.63 97.27 42.15 35.83 96.39 42.55 36.73 96.83 3 0 1000.00 -999 ? >ASP^A 36 45.01 36.67 91.80 44.46 36.15 89.81 44.73 36.41 90.80 2 0 1000.00 -999 ? >LEU^A 37 39.33 37.00 93.64 37.24 36.58 94.00 38.28 36.79 93.82 3 0 1000.00 -999 ? >ARG^A 38 40.88 34.62 86.78 43.49 36.01 86.04 42.19 35.32 86.41 2 0 1000.00 -999 ? >LEU^A 39 33.55 36.02 89.88 32.81 35.00 91.63 33.18 35.51 90.76 3 0 1000.00 -999 ? >PHE^A 40 33.10 31.47 84.47 32.30 31.08 81.83 32.70 31.27 83.15 3 0 1000.00 -999 ? >LEU^A 41 28.15 33.87 86.47 28.25 35.01 88.31 28.20 34.44 87.39 3 0 1000.00 -999 ? >MET?A 42 27.39 29.76 84.27 30.03 26.55 83.94 28.71 28.15 84.10 2 0 1000.00 -999 ? >SER~A 43 23.85 28.79 83.40 23.80 27.55 85.47 23.82 28.17 84.43 2 0 1000.00 -999 ? >ASP~A 44 20.47 29.81 86.72 19.31 28.29 85.85 19.89 29.05 86.28 2 0 1000.00 -999 ? >ALA~A 45 23.73 32.74 87.71 25.04 32.25 88.40 24.39 32.50 88.06 2 0 1000.00 -999 ? >VAL~A 46 24.10 34.70 84.48 24.73 34.18 82.46 24.41 34.44 83.47 3 0 1000.00 -999 ? >THR~A 47 20.97 36.84 84.85 19.24 35.53 85.15 20.11 36.19 85.00 2 0 1000.00 -999 ? >ALA~A 48 22.69 38.19 87.98 23.58 37.35 88.87 23.14 37.77 88.43 2 0 1000.00 -999 ? >GLY~A 49 24.60 40.50 85.66 23.80 40.52 85.69 24.20 40.51 85.68 1 0 1000.00 -999 ? >LEU~A 50 20.13 42.16 84.59 19.37 41.31 82.78 19.75 41.73 83.68 3 0 1000.00 -999 ? >ARG.A 51 22.58 49.81 84.86 25.07 49.07 83.25 23.82 49.44 84.06 2 0 1000.00 -999 ? >GLY.A 52 18.71 47.91 87.74 19.01 47.25 88.01 18.86 47.58 87.88 1 0 1000.00 -999 ? >GLN.A 53 19.61 43.27 89.61 21.09 41.81 90.07 20.35 42.54 89.84 2 0 1000.00 -999 ? >LYS.A 54 16.11 46.76 93.12 11.17 48.45 92.55 13.64 47.60 92.84 2 0 1000.00 -999 ? >PRO.A 55 16.75 43.56 96.00 15.02 44.66 95.15 15.89 44.11 95.57 3 0 1000.00 -999 ? >GLY.A 56 12.65 45.80 98.45 12.97 45.02 98.46 12.81 45.41 98.46 1 0 1000.00 -999 ? >GLU.A 57 13.06 40.36 101.17 13.05 38.40 100.41 13.05 39.38 100.79 2 0 1000.00 -999 ? >GLY.A 58 16.91 41.47 101.70 16.88 41.76 101.05 16.89 41.61 101.38 1 0 1000.00 -999 ? >TYR.A 59 20.80 38.78 99.31 20.05 36.36 98.12 20.42 37.57 98.72 3 0 1000.00 -999 ? >ASN~A 60 21.04 44.44 96.65 20.79 45.28 94.73 20.91 44.86 95.69 2 0 1000.00 -999 ? >ILE~A 61 22.57 39.70 93.44 22.36 38.44 93.13 22.47 39.07 93.29 3 0 1000.00 -999 ? >GLN~A 62 22.96 45.31 90.21 22.39 47.32 89.89 22.68 46.32 90.05 2 0 1000.00 -999 ? >GLN~A 63 25.94 46.62 97.25 25.14 46.78 99.23 25.54 46.70 98.24 2 0 1000.00 -999 ? >MET?A 64 27.66 42.61 95.81 25.59 39.81 98.11 26.63 41.21 96.96 2 0 1000.00 -999 ? >LEU~A 65 28.06 42.14 91.01 27.90 40.13 90.21 27.98 41.14 90.61 3 0 1000.00 -999 ? >GLU~A 66 27.56 47.11 91.43 26.31 48.80 91.30 26.94 47.96 91.37 2 0 1000.00 -999 ? >ILE~A 67 31.18 45.00 96.71 30.87 45.00 98.13 31.03 45.00 97.42 3 0 1000.00 -999 ? >LEU~A 68 33.22 41.61 93.33 33.43 39.77 94.47 33.33 40.69 93.90 3 0 1000.00 -999 ? >THR~A 69 34.11 44.77 90.28 32.21 44.90 89.21 33.16 44.83 89.74 2 0 1000.00 -999 ? >ALA~A 70 35.16 48.07 91.91 34.46 48.77 93.06 34.81 48.42 92.49 2 0 1000.00 -999 ? >GLN~A 71 37.76 45.45 95.65 37.63 43.77 96.94 37.69 44.61 96.29 2 0 1000.00 -999 ? >ASN.A 72 40.29 45.45 89.44 40.40 47.56 89.52 40.34 46.50 89.48 2 0 1000.00 -999 ? >VAL.A 73 37.90 41.33 90.49 37.36 40.25 92.28 37.63 40.79 91.38 3 0 1000.00 -999 ? >PRO.A 74 39.37 39.65 86.83 37.35 40.11 87.66 38.36 39.88 87.24 3 0 1000.00 -999 ? >VAL^A 75 33.41 38.76 86.66 31.82 39.42 88.02 32.62 39.09 87.34 3 0 1000.00 -999 ? >LYS^A 76 32.63 36.77 83.52 35.52 39.33 79.65 34.08 38.05 81.59 2 0 1000.00 -999 ? >LEU^A 77 28.10 36.64 81.99 27.17 37.96 83.43 27.64 37.30 82.71 3 0 1000.00 -999 ? >CYH^A 78 29.17 32.55 80.03 29.31 29.86 79.32 29.24 31.20 79.67 2 0 1000.00 -999 ? >LYS~A 79 28.51 33.41 76.38 30.28 35.09 71.88 29.39 34.25 74.13 2 0 1000.00 -999 ? >THR~A 80 26.32 30.43 75.47 27.50 28.62 75.40 26.91 29.52 75.43 2 0 1000.00 -999 ? >CYH~A 81 24.30 30.92 78.65 25.53 29.24 80.55 24.91 30.08 79.60 2 0 1000.00 -999 ? >THR~A 82 23.64 34.65 78.22 25.53 35.68 78.28 24.59 35.16 78.25 2 0 1000.00 -999 ? >ASP~A 83 23.50 33.48 73.46 25.37 34.40 73.10 24.43 33.94 73.28 2 0 1000.00 -999 ? >GLY~A 84 20.07 31.60 75.48 20.16 32.35 75.80 20.12 31.98 75.64 1 0 1000.00 -999 ? >ARG~A 85 19.53 31.99 81.05 19.99 29.23 82.37 19.76 30.61 81.71 2 0 1000.00 -999 ? >GLY.A 86 18.69 37.04 75.76 19.05 36.94 76.49 18.87 36.99 76.13 1 0 1000.00 -999 ? >ILE.A 87 21.23 38.10 79.55 21.13 38.04 80.97 21.18 38.07 80.26 3 0 1000.00 -999 ? >SER.A 88 23.92 39.10 75.85 24.57 36.94 74.96 24.24 38.02 75.40 2 0 1000.00 -999 ? >THR.A 89 22.75 42.46 74.42 21.72 41.99 72.57 22.23 42.22 73.49 2 0 1000.00 -999 ? >LEU.A 90 20.45 43.08 78.63 18.38 42.70 78.14 19.41 42.89 78.39 3 0 1000.00 -999 ? >PRO.A 91 21.22 47.81 79.15 22.56 46.05 79.49 21.89 46.93 79.32 3 0 1000.00 -999 ? >LEU.A 92 26.37 43.61 81.92 25.35 42.20 80.63 25.86 42.90 81.28 3 0 1000.00 -999 ? >ILE.A 93 26.53 45.08 86.98 26.05 44.82 88.33 26.29 44.95 87.65 3 0 1000.00 -999 ? >ASP.A 94 30.47 48.62 86.22 29.60 50.55 86.14 30.03 49.59 86.18 2 0 1000.00 -999 ? >GLY.A 95 32.78 45.29 85.53 32.05 45.12 85.38 32.42 45.20 85.45 1 0 1000.00 -999 ? >VAL^A 96 30.53 42.38 84.56 28.66 41.56 85.29 29.59 41.97 84.92 3 0 1000.00 -999 ? >GLU^A 97 33.10 42.66 80.78 35.12 43.11 80.43 34.11 42.89 80.60 2 0 1000.00 -999 ? >ILE^A 98 29.72 38.29 77.52 28.47 38.15 76.81 29.10 38.22 77.16 3 0 1000.00 -999 ? >GLY^A 99 33.21 35.27 78.71 32.45 35.03 78.54 32.83 35.15 78.62 1 0 1000.00 -999 ? >THR~A 100 33.51 31.80 77.23 34.55 32.40 75.44 34.03 32.10 76.33 2 0 1000.00 -999 ? >LEU~A 101 33.04 27.01 77.72 32.99 24.99 78.47 33.02 26.00 78.10 3 0 1000.00 -999 ? >VAL~A 102 37.19 28.18 76.78 38.03 28.39 74.75 37.61 28.29 75.76 3 0 1000.00 -999 ? >GLU~A 103 38.21 33.18 80.37 37.45 35.16 80.30 37.83 34.17 80.33 2 0 1000.00 -999 ? >LEU~A 104 35.32 28.49 82.47 34.80 27.58 84.36 35.06 28.03 83.41 3 0 1000.00 -999 ? >ALA~A 105 38.62 26.03 80.98 38.10 25.14 79.87 38.36 25.58 80.43 2 0 1000.00 -999 ? >GLN~A 106 43.01 29.75 79.96 42.67 31.49 78.77 42.84 30.62 79.36 2 0 1000.00 -999 ? >TRP~A 107 40.72 32.59 83.43 37.61 34.60 84.78 39.16 33.60 84.11 3 0 1000.00 -999 ? >THR~A 108 40.76 26.41 85.99 39.14 24.99 85.88 39.95 25.70 85.93 2 0 1000.00 -999 ? >LEU.A 109 44.33 24.82 83.16 44.17 22.94 82.10 44.25 23.88 82.63 3 0 1000.00 -999 ? >SER.A 110 46.05 28.02 85.90 45.23 30.00 84.73 45.64 29.01 85.31 2 0 1000.00 -999 ? >ALA.A 111 44.50 28.34 89.36 43.00 28.58 89.38 43.75 28.46 89.37 2 0 1000.00 -999 ? >ASP.A 112 46.32 27.76 93.81 47.85 29.03 93.08 47.09 28.40 93.44 2 0 1000.00 -999 ? >LYS^A 113 42.01 26.69 93.83 43.80 28.12 99.08 42.90 27.41 96.46 2 0 1000.00 -999 ? >VAL^A 114 38.59 26.54 92.24 38.53 26.16 90.10 38.56 26.35 91.17 3 0 1000.00 -999 ? >LEU^A 115 35.35 28.05 95.41 37.19 28.38 96.53 36.27 28.22 95.97 3 0 1000.00 -999 ? >THR^A 116 32.35 25.78 92.53 33.12 24.01 91.61 32.73 24.90 92.07 2 0 1000.00 -999 ? >PHE.A 117 29.76 28.35 96.15 31.19 28.49 98.55 30.47 28.42 97.35 3 0 1000.00 -999 ? >MET?B 201 51.54 16.28 86.14 50.12 13.28 83.76 50.83 14.78 84.95 2 0 1000.00 -999 ? >GLN.B 202 46.72 20.20 86.82 46.24 22.14 86.10 46.48 21.17 86.46 2 0 1000.00 -999 ? >LYS^B 203 45.63 16.06 88.22 46.23 11.77 90.31 45.93 13.92 89.27 2 0 1000.00 -999 ? >ILE^B 204 41.58 18.24 86.94 41.10 19.60 86.57 41.34 18.92 86.76 3 0 1000.00 -999 ? >VAL^B 205 38.92 15.41 89.33 38.95 13.80 90.79 38.93 14.60 90.06 3 0 1000.00 -999 ? >ILE^B 206 35.05 16.97 87.10 34.73 17.96 86.14 34.89 17.46 86.62 3 0 1000.00 -999 ? >VAL^B 207 32.58 14.86 90.51 33.20 14.96 92.61 32.89 14.91 91.56 3 0 1000.00 -999 ? >ALA^B 208 29.01 15.25 89.25 28.75 15.13 87.76 28.88 15.19 88.51 2 0 1000.00 -999 ? >ASN.B 209 25.77 15.66 92.59 25.73 14.45 94.33 25.75 15.05 93.46 2 0 1000.00 -999 ? >GLY.B 210 23.19 16.19 88.93 23.56 15.54 88.80 23.37 15.86 88.86 1 0 1000.00 -999 ? >ALA.B 211 20.74 13.97 87.05 19.31 13.69 87.50 20.03 13.83 87.27 2 0 1000.00 -999 ? >PRO.B 212 22.05 11.85 83.60 21.05 13.80 83.93 21.55 12.82 83.76 3 0 1000.00 -999 ? >TYR.B 213 18.81 14.65 79.40 20.43 13.21 77.63 19.62 13.93 78.51 3 0 1000.00 -999 ? >GLY.B 214 17.10 17.61 84.34 17.90 17.81 84.19 17.50 17.71 84.27 1 0 1000.00 -999 ? >SER~B 215 20.02 19.57 85.73 21.56 19.89 87.63 20.79 19.73 86.68 2 0 1000.00 -999 ? >GLU~B 216 22.71 24.04 82.25 21.99 25.94 81.63 22.35 24.99 81.94 2 0 1000.00 -999 ? >SER~B 217 24.71 21.08 86.10 25.48 20.59 88.34 25.10 20.83 87.22 2 0 1000.00 -999 ? >LEU~B 218 24.78 16.41 84.69 26.09 14.78 84.05 25.44 15.60 84.37 3 0 1000.00 -999 ? >PHE~B 219 24.86 20.45 79.35 25.57 21.72 76.95 25.21 21.08 78.15 3 0 1000.00 -999 ? >ASN~B 220 27.80 23.06 83.30 26.33 24.44 82.66 27.06 23.75 82.98 2 0 1000.00 -999 ? >SER~B 221 30.26 19.41 84.08 30.72 17.69 85.71 30.49 18.55 84.90 2 0 1000.00 -999 ? >LEU~B 222 30.00 16.40 80.28 29.59 14.41 81.06 29.79 15.41 80.67 3 0 1000.00 -999 ? >ARG~B 223 28.50 22.85 77.78 28.50 25.89 77.34 28.50 24.37 77.56 2 0 1000.00 -999 ? >LEU~B 224 34.05 22.02 82.83 35.53 23.34 83.74 34.79 22.68 83.29 3 0 1000.00 -999 ? >ALA~B 225 35.89 18.34 81.25 35.23 17.05 81.67 35.56 17.69 81.46 2 0 1000.00 -999 ? >ILE~B 226 34.51 18.10 76.57 33.70 17.43 75.50 34.11 17.77 76.03 3 0 1000.00 -999 ? >ALA~B 227 37.14 21.69 77.33 36.43 22.88 77.91 36.78 22.29 77.62 2 0 1000.00 -999 ? >LEU~B 228 39.57 20.52 81.39 39.51 21.58 83.26 39.54 21.05 82.32 3 0 1000.00 -999 ? >ARG~B 229 41.81 15.28 77.16 43.46 13.90 79.34 42.64 14.59 78.25 2 0 1000.00 -999 ? >GLU~B 230 39.46 19.95 73.28 38.02 21.04 72.18 38.74 20.49 72.73 2 0 1000.00 -999 ? >GLN~B 231 41.97 25.03 77.22 42.92 26.60 76.13 42.45 25.81 76.67 2 0 1000.00 -999 ? >GLU~B 232 47.35 20.64 80.23 48.83 22.12 80.07 48.09 21.38 80.15 2 0 1000.00 -999 ? >SER.B 233 45.70 17.64 76.28 45.89 16.08 74.43 45.80 16.86 75.35 2 0 1000.00 -999 ? >ASN.B 234 49.77 16.37 78.54 50.63 14.69 77.55 50.20 15.53 78.05 2 0 1000.00 -999 ? >LEU.B 235 45.00 17.57 81.74 43.74 18.30 83.33 44.37 17.94 82.53 3 0 1000.00 -999 ? >ASP^B 236 46.11 13.11 85.34 45.22 11.43 86.29 45.67 12.27 85.81 2 0 1000.00 -999 ? >LEU^B 237 40.82 15.13 83.26 39.05 16.35 83.20 39.94 15.74 83.23 3 0 1000.00 -999 ? >ARG^B 238 41.90 10.82 88.25 43.89 8.48 88.13 42.89 9.65 88.19 2 0 1000.00 -999 ? >LEU^B 239 34.51 11.97 85.28 34.30 13.84 84.21 34.41 12.91 84.75 3 0 1000.00 -999 ? >PHE^B 240 33.43 9.20 91.59 32.78 6.95 93.12 33.10 8.08 92.36 3 0 1000.00 -999 ? >LEU^B 241 28.80 10.05 87.64 28.98 11.07 85.74 28.89 10.56 86.69 3 0 1000.00 -999 ? >MET?B 242 27.36 10.36 92.15 29.57 11.56 95.39 28.47 10.96 93.77 2 0 1000.00 -999 ? >SER~B 243 23.71 9.98 93.02 23.66 11.11 95.14 23.68 10.54 94.08 2 0 1000.00 -999 ? >ASP~B 244 20.54 12.28 90.22 19.59 12.54 92.09 20.07 12.41 91.15 2 0 1000.00 -999 ? >ALA~B 245 24.17 11.63 87.67 25.44 12.47 87.94 24.81 12.05 87.81 2 0 1000.00 -999 ? >VAL~B 246 24.90 7.89 87.65 25.44 6.47 89.19 25.17 7.18 88.42 3 0 1000.00 -999 ? >THR~B 247 22.04 7.18 85.21 20.25 8.17 85.93 21.14 7.68 85.57 2 0 1000.00 -999 ? >ALA~B 248 24.07 9.19 82.71 24.93 10.41 83.03 24.50 9.80 82.87 2 0 1000.00 -999 ? >GLY~B 249 26.18 6.12 81.97 25.40 6.10 81.91 25.79 6.11 81.94 1 0 1000.00 -999 ? >LEU~B 250 21.86 4.32 80.66 20.93 3.09 82.15 21.39 3.70 81.40 3 0 1000.00 -999 ? >ARG.B 251 25.64 0.54 74.77 28.38 -0.50 75.63 27.01 0.02 75.20 2 0 1000.00 -999 ? >GLY.B 252 20.99 4.22 74.10 21.24 4.72 74.58 21.12 4.47 74.34 1 0 1000.00 -999 ? >GLN.B 253 21.49 8.12 77.34 22.94 9.23 78.41 22.22 8.68 77.87 2 0 1000.00 -999 ? >LYS.B 254 18.25 9.28 72.27 18.30 4.68 70.15 18.27 6.98 71.21 2 0 1000.00 -999 ? >PRO.B 255 19.92 12.80 73.96 18.01 12.33 72.90 18.97 12.56 73.43 3 0 1000.00 -999 ? >GLY.B 256 15.34 14.67 70.59 15.81 15.12 71.17 15.57 14.90 70.88 1 0 1000.00 -999 ? >GLU.B 257 16.67 19.79 73.92 18.63 19.67 74.74 17.65 19.73 74.33 2 0 1000.00 -999 ? >GLY.B 258 19.76 19.18 71.59 19.69 18.54 72.10 19.73 18.86 71.84 1 0 1000.00 -999 ? >TYR.B 259 22.77 18.72 76.18 21.80 18.61 78.82 22.29 18.66 77.50 3 0 1000.00 -999 ? >ASN~B 260 23.61 13.52 72.93 23.41 11.43 73.29 23.51 12.47 73.11 2 0 1000.00 -999 ? >ILE~B 261 24.31 13.15 78.83 24.28 13.43 80.28 24.30 13.29 79.55 3 0 1000.00 -999 ? >GLN~B 262 25.89 7.64 74.92 24.58 6.14 74.16 25.23 6.89 74.54 2 0 1000.00 -999 ? >GLN~B 263 28.16 13.15 71.27 27.31 14.74 70.12 27.73 13.95 70.70 2 0 1000.00 -999 ? >MET?B 264 29.73 13.93 75.63 27.51 17.26 76.87 28.62 15.60 76.25 2 0 1000.00 -999 ? >LEU~B 265 29.87 10.04 78.54 29.33 10.13 80.63 29.60 10.08 79.58 3 0 1000.00 -999 ? >GLU~B 266 29.83 7.91 74.19 28.52 7.10 72.73 29.17 7.51 73.46 2 0 1000.00 -999 ? >ILE~B 267 33.57 13.46 73.54 33.39 14.67 72.77 33.48 14.07 73.15 3 0 1000.00 -999 ? >LEU~B 268 35.10 12.13 78.42 34.84 14.09 79.34 34.97 13.11 78.88 3 0 1000.00 -999 ? >THR~B 269 36.08 8.00 77.31 34.33 7.21 78.23 35.21 7.60 77.77 2 0 1000.00 -999 ? >ALA.B 270 37.76 7.87 73.90 36.78 8.48 72.93 37.27 8.18 73.41 2 0 1000.00 -999 ? >GLN.B 271 39.23 12.21 74.05 39.07 14.33 74.13 39.15 13.27 74.09 2 0 1000.00 -999 ? >ASN.B 272 42.50 7.68 77.86 42.89 6.16 76.43 42.69 6.92 77.14 2 0 1000.00 -999 ? >VAL.B 273 39.28 9.97 80.68 38.69 12.07 80.63 38.99 11.02 80.65 3 0 1000.00 -999 ? >PRO.B 274 40.60 7.70 84.14 38.68 8.11 83.10 39.64 7.90 83.62 3 0 1000.00 -999 ? >VAL^B 275 34.58 7.92 84.22 33.16 8.90 82.85 33.87 8.41 83.54 3 0 1000.00 -999 ? >LYS^B 276 33.35 6.04 87.29 36.92 2.19 88.47 35.13 4.11 87.88 2 0 1000.00 -999 ? >LEU^B 277 28.78 4.99 87.87 28.37 5.60 85.84 28.58 5.30 86.86 3 0 1000.00 -999 ? >CYH^B 278 29.31 5.38 92.51 28.75 6.14 95.15 29.03 5.76 93.83 2 0 1000.00 -999 ? >LYS~B 279 28.52 1.72 93.35 29.60 -3.70 92.11 29.06 -0.99 92.73 2 0 1000.00 -999 ? >THR~B 280 25.91 2.31 96.04 26.82 3.36 97.71 26.37 2.83 96.87 2 0 1000.00 -999 ? >CYH~B 281 24.18 4.78 93.72 25.59 7.01 94.59 24.89 5.89 94.16 2 0 1000.00 -999 ? >THR~B 282 24.05 2.56 90.64 26.04 2.01 89.99 25.04 2.28 90.31 2 0 1000.00 -999 ? >ASP~B 283 23.63 -0.96 94.00 25.26 -2.18 93.45 24.45 -1.57 93.72 2 0 1000.00 -999 ? >GLY~B 284 19.95 1.61 94.13 20.14 1.55 93.35 20.04 1.58 93.74 1 0 1000.00 -999 ? >ARG~B 285 20.00 6.27 91.25 20.58 8.49 93.26 20.29 7.38 92.25 2 0 1000.00 -999 ? >GLY.B 286 19.28 -0.60 89.22 19.62 0.04 88.99 19.45 -0.28 89.10 1 0 1000.00 -999 ? >ILE.B 287 22.16 1.85 86.45 21.92 3.08 85.70 22.04 2.46 86.07 3 0 1000.00 -999 ? >SER.B 288 24.76 -1.89 87.74 24.98 -1.50 90.11 24.87 -1.70 88.92 2 0 1000.00 -999 ? >THR.B 289 23.72 -4.77 85.46 22.18 -5.72 86.57 22.95 -5.25 86.02 2 0 1000.00 -999 ? >LEU.B 290 21.57 -1.54 82.62 19.50 -1.85 83.17 20.53 -1.69 82.89 3 0 1000.00 -999 ? >PRO.B 291 23.00 -3.02 78.26 24.18 -2.02 79.86 23.59 -2.52 79.06 3 0 1000.00 -999 ? >LEU.B 292 27.74 1.21 81.50 26.91 1.26 83.51 27.33 1.24 82.51 3 0 1000.00 -999 ? >ILE.B 293 28.72 5.09 78.05 28.50 6.40 77.60 28.61 5.74 77.82 3 0 1000.00 -999 ? >ASP.B 294 32.82 2.67 75.53 31.91 1.67 73.90 32.37 2.17 74.71 2 0 1000.00 -999 ? >GLY.B 295 34.86 3.82 79.07 34.08 3.87 79.24 34.47 3.84 79.16 1 0 1000.00 -999 ? >VAL^B 296 32.32 4.15 81.88 30.50 5.34 81.90 31.41 4.75 81.89 3 0 1000.00 -999 ? >GLU^B 297 34.93 1.16 83.62 36.75 0.13 83.85 35.84 0.65 83.74 2 0 1000.00 -999 ? >ILE^B 298 30.71 -0.05 88.71 29.56 -0.74 89.09 30.14 -0.40 88.90 3 0 1000.00 -999 ? >GLY^B 299 33.47 2.72 91.15 32.67 2.63 91.37 33.07 2.67 91.26 1 0 1000.00 -999 ? >THR~B 300 33.40 3.26 94.90 34.66 1.64 95.54 34.03 2.45 95.22 2 0 1000.00 -999 ? >LEU~B 301 32.55 6.30 98.59 32.43 8.13 99.74 32.49 7.22 99.17 3 0 1000.00 -999 ? >VAL~B 302 36.83 4.89 98.56 37.50 3.26 99.81 37.16 4.08 99.18 3 0 1000.00 -999 ? >GLU~B 303 38.91 4.90 92.65 38.38 3.89 90.86 38.64 4.39 91.75 2 0 1000.00 -999 ? >LEU~B 304 35.22 8.96 95.14 35.03 11.13 95.06 35.13 10.04 95.10 3 0 1000.00 -999 ? >ALA~B 305 38.51 9.48 98.21 38.40 8.69 99.50 38.45 9.08 98.85 2 0 1000.00 -999 ? >GLN~B 306 42.70 5.86 96.96 42.58 3.88 96.17 42.64 4.87 96.56 2 0 1000.00 -999 ? >TRP~B 307 40.94 8.30 91.73 37.98 8.41 89.14 39.46 8.35 90.43 3 0 1000.00 -999 ? >THR~B 308 40.45 13.41 95.95 38.68 14.01 97.01 39.56 13.71 96.48 2 0 1000.00 -999 ? >LEU~B 309 43.76 11.99 99.20 43.34 12.12 101.29 43.55 12.05 100.25 3 0 1000.00 -999 ? >SER~B 310 45.74 12.57 95.16 46.95 11.11 93.66 46.35 11.84 94.41 2 0 1000.00 -999 ? >ALA~B 311 44.28 15.37 92.99 42.80 15.53 92.69 43.54 15.45 92.84 2 0 1000.00 -999 ? >ASP.B 312 46.63 19.34 91.69 48.22 17.98 91.40 47.42 18.66 91.54 2 0 1000.00 -999 ? >LYS^B 313 42.30 20.44 91.86 45.24 24.06 88.60 43.77 22.25 90.23 2 0 1000.00 -999 ? >VAL^B 314 38.94 18.87 92.61 38.84 17.20 94.01 38.89 18.04 93.31 3 0 1000.00 -999 ? >LEU^B 315 35.98 21.04 89.51 37.53 22.34 88.79 36.75 21.69 89.15 3 0 1000.00 -999 ? >THR^B 316 32.44 19.52 92.14 32.86 19.49 94.26 32.65 19.50 93.20 2 0 1000.00 -999 ? >PHE^B 317 30.43 21.01 87.95 32.24 22.95 87.07 31.34 21.98 87.51 3 0 1000.00 -999 ? >MET?C 401 49.88 16.99 106.00 48.33 17.69 109.07 49.10 17.34 107.53 2 0 1000.00 -999 ? >GLN.C 402 47.33 16.82 101.61 46.20 16.04 100.00 46.76 16.43 100.81 2 0 1000.00 -999 ? >LYS^C 403 44.59 21.00 104.24 42.60 24.89 106.84 43.60 22.95 105.54 2 0 1000.00 -999 ? >ILE^C 404 40.95 18.61 102.39 40.88 17.54 101.40 40.92 18.08 101.89 3 0 1000.00 -999 ? >VAL^C 405 38.07 22.10 103.45 37.86 24.17 104.11 37.96 23.14 103.78 3 0 1000.00 -999 ? >ILE^C 406 34.27 19.23 103.05 33.99 17.82 102.62 34.13 18.53 102.84 3 0 1000.00 -999 ? >VAL^C 407 31.69 23.06 102.45 31.88 25.23 102.12 31.79 24.14 102.28 3 0 1000.00 -999 ? >ALA^C 408 28.11 21.79 102.38 27.86 20.58 103.27 27.99 21.19 102.82 2 0 1000.00 -999 ? >ASN.C 409 24.95 24.53 100.49 24.80 26.59 100.92 24.87 25.56 100.70 2 0 1000.00 -999 ? >GLY.C 410 22.15 21.01 101.28 22.48 21.16 101.97 22.31 21.08 101.63 1 0 1000.00 -999 ? >ALA.C 411 19.57 20.47 104.00 18.11 20.88 103.93 18.84 20.67 103.96 2 0 1000.00 -999 ? >PRO.C 412 20.42 18.46 107.64 19.84 17.78 105.59 20.13 18.12 106.61 3 0 1000.00 -999 ? >TYR.C 413 17.55 13.46 106.94 18.89 12.71 109.30 18.22 13.09 108.12 3 0 1000.00 -999 ? >GLY.C 414 16.16 16.36 101.97 16.88 15.90 101.86 16.52 16.13 101.91 1 0 1000.00 -999 ? >SER.C 415 18.83 15.63 99.37 20.50 17.41 99.36 19.67 16.52 99.36 2 0 1000.00 -999 ? >GLU~C 416 21.09 11.11 97.91 21.39 9.83 96.25 21.24 10.47 97.08 2 0 1000.00 -999 ? >SER~C 417 24.06 16.38 98.84 24.48 18.78 98.96 24.27 17.58 98.90 2 0 1000.00 -999 ? >LEU~C 418 23.90 17.37 103.55 25.01 17.53 105.39 24.46 17.45 104.47 3 0 1000.00 -999 ? >PHE~C 419 24.09 10.56 102.72 24.66 7.84 102.99 24.38 9.20 102.85 3 0 1000.00 -999 ? >ASN~C 420 27.32 12.13 98.78 25.85 10.73 98.14 26.58 11.43 98.46 2 0 1000.00 -999 ? >SER~C 421 29.43 15.16 101.51 29.75 17.52 101.49 29.59 16.34 101.50 2 0 1000.00 -999 ? >LEU~C 422 28.75 13.59 106.05 28.20 15.21 107.37 28.47 14.40 106.71 3 0 1000.00 -999 ? >ARG~C 423 28.09 7.39 102.10 28.25 6.55 99.14 28.17 6.97 100.62 2 0 1000.00 -999 ? >LEU~C 424 33.08 12.45 100.30 35.07 12.93 99.53 34.07 12.69 99.92 3 0 1000.00 -999 ? >ALA~C 425 34.67 13.31 104.51 33.94 14.36 105.30 34.31 13.84 104.91 2 0 1000.00 -999 ? >ILE~C 426 33.29 9.31 106.99 32.38 8.80 108.04 32.84 9.06 107.51 3 0 1000.00 -999 ? >ALA~C 427 36.25 8.16 103.84 35.64 7.84 102.48 35.95 8.00 103.16 2 0 1000.00 -999 ? >LEU~C 428 38.77 12.35 103.13 38.34 13.40 101.28 38.55 12.87 102.20 3 0 1000.00 -999 ? >ARG~C 429 40.40 11.46 109.95 41.48 14.23 110.65 40.94 12.85 110.30 2 0 1000.00 -999 ? >GLU~C 430 37.44 6.06 107.60 35.89 4.71 107.08 36.66 5.38 107.34 2 0 1000.00 -999 ? >GLN~C 431 41.39 7.17 101.85 42.57 5.66 100.94 41.98 6.41 101.40 2 0 1000.00 -999 ? >GLU~C 432 45.64 10.19 103.59 46.98 11.42 102.51 46.31 10.81 103.05 2 0 1000.00 -999 ? >SER.C 433 44.41 9.94 109.66 46.28 8.77 110.73 45.34 9.36 110.19 2 0 1000.00 -999 ? >ASN.C 434 48.27 12.76 110.02 48.71 11.29 111.50 48.49 12.02 110.76 2 0 1000.00 -999 ? >LEU.C 435 43.81 14.30 106.34 42.61 15.21 104.77 43.21 14.75 105.55 3 0 1000.00 -999 ? >ASP^C 436 44.72 19.78 108.05 44.00 21.50 109.02 44.36 20.64 108.54 2 0 1000.00 -999 ? >LEU^C 437 39.51 16.76 107.25 37.87 16.17 105.98 38.69 16.47 106.61 3 0 1000.00 -999 ? >ARG^C 438 39.66 22.90 109.87 42.15 24.70 109.79 40.91 23.80 109.83 2 0 1000.00 -999 ? >LEU^C 439 33.08 19.82 108.49 32.45 18.70 106.74 32.76 19.26 107.62 3 0 1000.00 -999 ? >PHE^C 440 32.15 26.59 107.12 31.28 29.00 108.24 31.72 27.80 107.68 3 0 1000.00 -999 ? >LEU^C 441 27.23 23.22 107.88 27.75 21.13 108.15 27.49 22.17 108.02 3 0 1000.00 -999 ? >MET?C 442 26.06 26.95 105.26 28.78 28.90 102.82 27.42 27.93 104.04 2 0 1000.00 -999 ? >SER~C 443 22.37 27.65 104.52 22.27 28.69 102.34 22.32 28.17 103.43 2 0 1000.00 -999 ? >ASP~C 444 19.20 24.03 103.93 18.08 25.49 102.89 18.64 24.76 103.41 2 0 1000.00 -999 ? >ALA~C 445 23.00 22.37 106.00 24.38 22.35 105.36 23.69 22.36 105.68 2 0 1000.00 -999 ? >VAL~C 446 23.18 24.32 109.24 23.18 26.35 109.98 23.18 25.33 109.61 3 0 1000.00 -999 ? >THR~C 447 20.27 22.33 110.73 18.52 22.55 109.48 19.39 22.44 110.10 2 0 1000.00 -999 ? >ALA~C 448 22.25 19.07 110.60 23.18 18.66 109.46 22.71 18.86 110.03 2 0 1000.00 -999 ? >GLY~C 449 24.00 20.09 113.82 23.21 19.95 113.78 23.61 20.02 113.80 1 0 1000.00 -999 ? >LEU~C 450 19.42 19.68 115.35 18.29 21.49 115.62 18.86 20.58 115.49 3 0 1000.00 -999 ? >ARG.C 451 23.56 16.13 120.35 24.58 14.88 122.97 24.07 15.50 121.66 2 0 1000.00 -999 ? >GLY.C 452 18.42 14.12 118.98 18.71 14.29 118.33 18.57 14.20 118.65 1 0 1000.00 -999 ? >GLN.C 453 19.15 14.71 113.83 20.86 15.02 112.60 20.01 14.87 113.22 2 0 1000.00 -999 ? >LYS.C 454 15.95 9.82 115.32 10.63 8.43 116.93 13.29 9.12 116.13 2 0 1000.00 -999 ? >PRO.C 455 17.61 9.97 111.44 15.87 8.91 112.30 16.74 9.44 111.87 3 0 1000.00 -999 ? >GLY.C 456 13.78 5.37 111.39 14.07 5.75 110.69 13.92 5.56 111.04 1 0 1000.00 -999 ? >GLU.C 457 14.92 5.76 105.37 15.11 7.45 104.11 15.01 6.60 104.74 2 0 1000.00 -999 ? >GLY.C 458 18.57 4.44 106.76 18.46 5.11 107.17 18.52 4.77 106.96 1 0 1000.00 -999 ? >TYR.C 459 21.52 8.79 105.32 20.49 11.05 104.02 21.00 9.92 104.67 3 0 1000.00 -999 ? >ASN~C 460 21.83 8.26 111.61 21.56 9.61 113.24 21.70 8.94 112.43 2 0 1000.00 -999 ? >ILE~C 461 22.80 13.56 109.04 22.84 14.62 108.07 22.82 14.09 108.55 3 0 1000.00 -999 ? >GLN~C 462 23.42 13.38 115.82 22.08 12.89 117.39 22.75 13.13 116.60 2 0 1000.00 -999 ? >GLN~C 463 24.59 7.84 114.58 24.10 5.79 114.24 24.34 6.82 114.41 2 0 1000.00 -999 ? >MET?C 464 28.10 10.65 110.66 26.07 9.99 107.09 27.08 10.32 108.87 2 0 1000.00 -999 ? >LEU~C 465 27.75 15.17 112.43 27.41 16.92 111.20 27.58 16.05 111.81 3 0 1000.00 -999 ? >GLU~C 466 27.54 12.55 116.65 26.32 11.69 118.13 26.93 12.12 117.39 2 0 1000.00 -999 ? >ILE~C 467 31.77 9.04 112.71 31.57 7.75 112.21 31.67 8.39 112.46 3 0 1000.00 -999 ? >LEU~C 468 33.32 13.94 111.25 33.34 13.67 109.12 33.33 13.80 110.19 3 0 1000.00 -999 ? >THR~C 469 34.12 15.20 115.40 32.17 15.79 116.05 33.14 15.49 115.73 2 0 1000.00 -999 ? >ALA~C 470 35.35 12.09 117.22 34.69 10.72 117.14 35.02 11.41 117.18 2 0 1000.00 -999 ? >GLN~C 471 38.09 9.85 113.49 37.75 9.10 111.52 37.92 9.47 112.51 2 0 1000.00 -999 ? >ASN.C 472 40.41 15.55 116.53 40.54 15.17 118.62 40.48 15.36 117.58 2 0 1000.00 -999 ? >VAL.C 473 37.60 17.15 112.82 37.10 16.29 110.89 37.35 16.72 111.85 3 0 1000.00 -999 ? >PRO.C 474 38.64 21.36 112.98 36.79 20.14 112.91 37.71 20.75 112.95 3 0 1000.00 -999 ? >VAL^C 475 32.72 21.26 112.23 31.50 19.49 112.03 32.11 20.38 112.13 3 0 1000.00 -999 ? >LYS^C 476 31.42 24.85 112.40 33.71 27.47 114.87 32.57 26.16 113.64 2 0 1000.00 -999 ? >LEU^C 477 26.63 25.63 112.34 25.91 23.69 112.90 26.27 24.66 112.62 3 0 1000.00 -999 ? >CYH^C 478 27.48 29.29 109.76 27.26 31.30 107.87 27.37 30.30 108.81 2 0 1000.00 -999 ? >LYS~C 479 26.48 31.88 112.39 25.92 35.17 117.08 26.20 33.53 114.73 2 0 1000.00 -999 ? >THR~C 480 24.15 34.04 110.24 25.18 34.93 108.57 24.67 34.49 109.40 2 0 1000.00 -999 ? >CYH~C 481 22.40 30.96 108.88 24.20 30.34 106.79 23.30 30.65 107.84 2 0 1000.00 -999 ? >THR~C 482 21.90 29.50 112.37 23.86 28.99 113.07 22.88 29.25 112.72 2 0 1000.00 -999 ? >ASP~C 483 21.32 34.15 113.72 22.96 34.33 115.02 22.14 34.24 114.37 2 0 1000.00 -999 ? >GLY~C 484 17.94 33.18 111.19 18.15 32.49 111.53 18.04 32.84 111.36 1 0 1000.00 -999 ? >ARG~C 485 18.37 27.58 108.58 19.24 28.42 105.78 18.80 28.00 107.18 2 0 1000.00 -999 ? >GLY.C 486 16.68 29.54 115.31 17.23 29.11 114.91 16.95 29.33 115.11 1 0 1000.00 -999 ? >ILE.C 487 20.03 26.18 114.50 19.80 25.40 114.38 19.92 25.79 114.44 3 0 1000.00 -999 ? >SER.C 488 22.14 29.23 117.25 22.90 30.90 115.66 22.52 30.07 116.46 2 0 1000.00 -999 ? >THR.C 489 20.75 28.55 120.71 19.93 30.52 120.93 20.34 29.53 120.82 2 0 1000.00 -999 ? >LEU.C 490 18.86 24.46 119.37 16.72 24.69 119.12 17.79 24.58 119.24 3 0 1000.00 -999 ? >PRO.C 491 19.58 21.42 122.99 21.03 22.26 121.54 20.30 21.84 122.27 3 0 1000.00 -999 ? >LEU.C 492 25.16 21.94 118.67 24.46 23.74 117.68 24.81 22.84 118.18 3 0 1000.00 -999 ? >ILE.C 493 26.21 17.04 116.93 26.05 16.05 115.89 26.13 16.54 116.41 3 0 1000.00 -999 ? >ASP.C 494 29.68 15.41 120.50 28.54 14.08 121.69 29.11 14.75 121.10 2 0 1000.00 -999 ? >GLY.C 495 31.88 18.52 118.54 31.19 18.55 118.20 31.53 18.53 118.37 1 0 1000.00 -999 ? >VAL^C 496 29.87 20.99 116.45 28.44 20.29 114.98 29.16 20.64 115.72 3 0 1000.00 -999 ? >GLU^C 497 32.40 24.23 118.47 34.17 25.03 119.30 33.29 24.63 118.88 2 0 1000.00 -999 ? >ILE^C 498 27.99 28.82 116.11 26.68 29.42 116.13 27.33 29.12 116.12 3 0 1000.00 -999 ? >GLY^C 499 31.47 29.62 113.12 30.69 29.86 113.00 31.08 29.74 113.06 1 0 1000.00 -999 ? >THR~C 500 31.71 32.60 110.81 32.51 33.94 112.34 32.11 33.27 111.58 2 0 1000.00 -999 ? >LEU~C 501 31.17 34.22 106.30 31.33 34.62 104.19 31.25 34.42 105.24 3 0 1000.00 -999 ? >VAL~C 502 35.28 35.15 108.14 35.53 37.05 109.21 35.40 36.10 108.68 3 0 1000.00 -999 ? >GLU~C 503 36.52 29.83 111.16 35.32 28.88 112.67 35.92 29.36 111.91 2 0 1000.00 -999 ? >LEU~C 504 34.19 30.04 105.72 33.80 28.75 104.01 34.00 29.39 104.87 3 0 1000.00 -999 ? >ALA~C 505 37.49 32.72 104.26 37.23 34.20 104.29 37.36 33.46 104.27 2 0 1000.00 -999 ? >GLN~C 506 40.62 33.63 108.39 40.61 33.84 110.52 40.62 33.74 109.45 2 0 1000.00 -999 ? >TRP~C 507 39.39 27.68 108.86 36.36 25.30 109.66 37.87 26.49 109.26 3 0 1000.00 -999 ? >THR~C 508 39.85 28.53 102.19 38.13 28.93 100.99 38.99 28.73 101.59 2 0 1000.00 -999 ? >LEU~C 509 43.08 32.10 102.57 42.71 33.96 101.52 42.89 33.03 102.05 3 0 1000.00 -999 ? >SER~C 510 45.18 28.28 103.69 44.36 28.37 105.96 44.77 28.33 104.82 2 0 1000.00 -999 ? >ALA.C 511 43.65 25.09 102.25 42.14 24.86 102.24 42.90 24.97 102.24 2 0 1000.00 -999 ? >ASP.C 512 45.99 21.61 99.78 47.37 21.77 101.39 46.68 21.69 100.59 2 0 1000.00 -999 ? >LYS^C 513 41.76 21.83 98.28 44.24 16.45 97.43 43.00 19.14 97.86 2 0 1000.00 -999 ? >VAL^C 514 38.26 23.17 98.90 38.11 25.25 99.58 38.19 24.21 99.24 3 0 1000.00 -999 ? >LEU^C 515 35.51 19.26 98.61 37.01 17.88 97.91 36.26 18.57 98.26 3 0 1000.00 -999 ? >THR^C 516 31.97 22.19 97.87 32.56 24.07 96.99 32.26 23.13 97.43 2 0 1000.00 -999 ? >PHE.C 517 30.17 17.39 98.26 32.12 15.51 97.56 31.14 16.45 97.91 3 0 1000.00 -999 ? >MET?D 601 -16.88 26.51 101.29 -15.76 26.79 105.29 -16.32 26.65 103.29 2 0 1000.00 -999 ? >GLN.D 602 -12.55 27.00 97.08 -11.51 28.48 95.94 -12.03 27.74 96.51 2 0 1000.00 -999 ? >LYS^D 603 -11.17 23.87 100.80 -13.95 19.47 104.49 -12.56 21.67 102.65 2 0 1000.00 -999 ? >ILE^D 604 -7.21 25.93 99.24 -6.81 26.85 98.21 -7.01 26.39 98.73 3 0 1000.00 -999 ? >VAL^D 605 -4.50 22.70 100.89 -4.48 20.70 101.73 -4.49 21.70 101.31 3 0 1000.00 -999 ? >ILE^D 606 -0.60 25.41 100.95 -0.28 26.78 100.53 -0.44 26.10 100.74 3 0 1000.00 -999 ? >VAL^D 607 1.82 21.34 100.74 1.56 19.17 100.42 1.69 20.26 100.58 3 0 1000.00 -999 ? >ALA^D 608 5.33 22.77 101.11 5.51 23.98 102.01 5.42 23.38 101.56 2 0 1000.00 -999 ? >ASN.D 609 8.74 20.20 99.19 9.06 18.12 99.39 8.90 19.16 99.29 2 0 1000.00 -999 ? >GLY.D 610 11.25 23.67 100.45 10.90 23.45 101.07 11.07 23.56 100.76 1 0 1000.00 -999 ? >ALA.D 611 13.71 24.41 103.24 15.18 24.08 103.20 14.44 24.24 103.22 2 0 1000.00 -999 ? >PRO.D 612 12.45 26.42 106.84 13.20 27.03 104.84 12.82 26.73 105.84 3 0 1000.00 -999 ? >TYR.D 613 15.30 31.44 106.11 13.67 32.40 108.15 14.49 31.92 107.13 3 0 1000.00 -999 ? >GLY.D 614 17.49 28.27 101.59 16.75 28.65 101.37 17.12 28.46 101.48 1 0 1000.00 -999 ? >SER~D 615 15.02 28.91 98.76 13.77 26.84 98.97 14.40 27.87 98.86 2 0 1000.00 -999 ? >GLU~D 616 13.10 33.22 96.67 12.67 34.82 95.32 12.88 34.02 95.99 2 0 1000.00 -999 ? >SER~D 617 9.81 28.13 97.48 11.32 26.52 98.41 10.56 27.33 97.95 2 0 1000.00 -999 ? >LEU~D 618 9.55 27.35 102.25 8.25 27.53 103.96 8.90 27.44 103.10 3 0 1000.00 -999 ? >PHE~D 619 9.27 33.95 100.71 8.54 36.66 100.68 8.91 35.30 100.70 3 0 1000.00 -999 ? >ASN~D 620 6.35 31.53 96.88 7.97 32.62 96.02 7.16 32.08 96.45 2 0 1000.00 -999 ? >SER~D 621 3.94 29.10 99.88 5.22 27.10 99.47 4.58 28.10 99.68 2 0 1000.00 -999 ? >LEU~D 622 4.51 31.42 104.05 5.15 30.00 105.54 4.83 30.71 104.80 3 0 1000.00 -999 ? >ARG~D 623 4.72 37.23 99.06 6.04 37.40 96.32 5.38 37.32 97.69 2 0 1000.00 -999 ? >LEU~D 624 0.83 31.96 97.60 -1.04 31.24 96.80 -0.10 31.60 97.20 3 0 1000.00 -999 ? >ALA~D 625 -1.32 31.37 101.68 -0.68 30.36 102.61 -1.00 30.87 102.15 2 0 1000.00 -999 ? >ILE~D 626 -0.38 35.54 103.99 0.48 36.04 104.97 0.05 35.79 104.48 3 0 1000.00 -999 ? >ALA~D 627 -2.77 36.19 100.22 -2.06 36.09 98.88 -2.41 36.14 99.55 2 0 1000.00 -999 ? >LEU~D 628 -5.18 31.99 99.85 -5.03 30.80 98.07 -5.10 31.39 98.96 3 0 1000.00 -999 ? >ARG~D 629 -7.12 33.65 106.65 -9.46 31.72 106.29 -8.29 32.68 106.47 2 0 1000.00 -999 ? >GLU~D 630 -4.91 38.68 103.91 -3.50 40.25 103.73 -4.20 39.47 103.82 2 0 1000.00 -999 ? >GLN~D 631 -7.55 37.98 97.73 -8.29 38.99 96.01 -7.92 38.48 96.87 2 0 1000.00 -999 ? >GLU~D 632 -11.99 33.65 98.99 -14.00 34.26 98.99 -13.00 33.95 98.99 2 0 1000.00 -999 ? >SER.D 633 -11.87 35.56 104.81 -12.49 36.65 106.89 -12.18 36.10 105.85 2 0 1000.00 -999 ? >ASN.D 634 -15.77 32.99 104.67 -16.29 34.61 105.95 -16.03 33.80 105.31 2 0 1000.00 -999 ? >LEU.D 635 -11.35 30.27 102.05 -9.21 30.27 101.81 -10.28 30.27 101.93 3 0 1000.00 -999 ? >ASP^D 636 -11.77 25.31 104.62 -11.13 23.90 106.05 -11.45 24.61 105.34 2 0 1000.00 -999 ? >LEU^D 637 -6.50 28.22 103.78 -4.76 28.80 102.62 -5.63 28.51 103.20 3 0 1000.00 -999 ? >ARG^D 638 -7.65 21.64 106.04 -9.41 19.90 107.81 -8.53 20.77 106.93 2 0 1000.00 -999 ? >LEU^D 639 -0.29 25.21 105.97 0.90 26.64 104.90 0.31 25.92 105.43 3 0 1000.00 -999 ? >PHE^D 640 0.84 18.32 105.71 1.59 16.05 107.16 1.22 17.19 106.43 3 0 1000.00 -999 ? >LEU^D 641 5.61 21.99 106.58 5.22 24.13 106.55 5.41 23.06 106.57 3 0 1000.00 -999 ? >MET?D 642 6.97 17.92 104.59 4.71 15.52 102.01 5.84 16.72 103.30 2 0 1000.00 -999 ? >SER~D 643 10.73 17.33 104.47 11.16 16.17 102.36 10.94 16.75 103.42 2 0 1000.00 -999 ? >ASP~D 644 14.06 20.64 103.82 15.02 18.96 102.91 14.54 19.80 103.36 2 0 1000.00 -999 ? >ALA~D 645 10.14 22.59 105.24 8.88 22.52 104.36 9.51 22.55 104.80 2 0 1000.00 -999 ? >VAL~D 646 9.56 20.99 108.63 9.43 18.98 109.47 9.50 19.99 109.05 3 0 1000.00 -999 ? >THR~D 647 12.29 22.98 110.41 14.24 22.57 109.52 13.26 22.77 109.97 2 0 1000.00 -999 ? >ALA~D 648 10.32 26.13 109.53 9.51 26.33 108.25 9.92 26.23 108.89 2 0 1000.00 -999 ? >GLY~D 649 8.24 25.34 112.58 9.01 25.49 112.64 8.62 25.42 112.61 1 0 1000.00 -999 ? >LEU~D 650 12.53 25.93 114.85 13.96 24.35 115.04 13.25 25.14 114.94 3 0 1000.00 -999 ? >ARG.D 651 9.65 30.61 120.75 7.89 28.14 121.23 8.77 29.38 120.99 2 0 1000.00 -999 ? >GLY.D 652 13.42 31.77 117.75 13.14 31.59 117.06 13.28 31.68 117.40 1 0 1000.00 -999 ? >GLN.D 653 12.99 30.65 112.63 11.43 30.22 111.24 12.21 30.44 111.94 2 0 1000.00 -999 ? >LYS.D 654 15.85 35.88 114.05 20.83 36.97 115.88 18.34 36.43 114.96 2 0 1000.00 -999 ? >PRO.D 655 15.07 35.32 110.01 16.69 36.38 111.09 15.88 35.85 110.55 3 0 1000.00 -999 ? >GLY.D 656 18.91 39.81 110.10 18.65 39.38 109.43 18.78 39.59 109.76 1 0 1000.00 -999 ? >GLU.D 657 18.50 39.15 104.02 18.53 37.52 102.68 18.52 38.34 103.35 2 0 1000.00 -999 ? >GLY.D 658 14.63 39.95 104.73 14.70 39.44 105.31 14.66 39.69 105.02 1 0 1000.00 -999 ? >TYR.D 659 11.45 35.92 103.55 12.63 33.66 102.44 12.04 34.79 103.00 3 0 1000.00 -999 ? >ASN~D 660 10.79 37.12 109.77 11.05 36.10 111.59 10.92 36.61 110.68 2 0 1000.00 -999 ? >ILE~D 661 10.00 31.59 107.57 10.10 30.56 106.60 10.05 31.07 107.08 3 0 1000.00 -999 ? >GLN~D 662 8.46 32.65 114.34 9.77 32.58 116.03 9.12 32.61 115.18 2 0 1000.00 -999 ? >GLN~D 663 5.84 38.18 111.08 6.66 40.14 110.88 6.25 39.16 110.98 2 0 1000.00 -999 ? >MET?D 664 4.56 34.58 108.35 6.63 34.86 104.76 5.60 34.72 106.56 2 0 1000.00 -999 ? >LEU~D 665 4.55 30.30 110.62 5.06 28.53 109.48 4.80 29.41 110.05 3 0 1000.00 -999 ? >GLU~D 666 4.28 33.49 114.56 5.56 34.74 115.71 4.92 34.12 115.14 2 0 1000.00 -999 ? >ILE~D 667 0.57 36.36 109.72 0.74 37.71 109.14 0.65 37.04 109.43 3 0 1000.00 -999 ? >LEU~D 668 -0.83 31.26 108.65 -0.42 31.33 106.53 -0.63 31.30 107.59 3 0 1000.00 -999 ? >THR~D 669 -2.00 30.42 112.81 -0.05 29.97 113.62 -1.03 30.20 113.21 2 0 1000.00 -999 ? >ALA~D 670 -3.44 33.59 114.31 -2.79 34.97 114.21 -3.12 34.28 114.26 2 0 1000.00 -999 ? >GLN.D 671 -5.36 35.24 110.29 -5.46 36.19 108.42 -5.41 35.72 109.36 2 0 1000.00 -999 ? >ASN.D 672 -8.44 29.74 112.77 -8.97 31.08 114.34 -8.70 30.41 113.56 2 0 1000.00 -999 ? >VAL.D 673 -5.08 28.17 109.59 -4.51 29.27 107.80 -4.79 28.72 108.69 3 0 1000.00 -999 ? >PRO.D 674 -6.23 24.00 110.08 -4.35 25.18 110.29 -5.29 24.59 110.19 3 0 1000.00 -999 ? >VAL^D 675 -0.21 24.16 110.20 1.18 25.84 109.98 0.49 25.00 110.09 3 0 1000.00 -999 ? >LYS^D 676 0.98 20.54 110.43 -3.33 18.49 112.78 -1.17 19.52 111.61 2 0 1000.00 -999 ? >LEU^D 677 5.57 19.60 111.41 6.45 21.55 111.56 6.01 20.57 111.48 3 0 1000.00 -999 ? >CYH^D 678 5.01 15.69 108.95 5.92 13.58 107.36 5.46 14.64 108.15 2 0 1000.00 -999 ? >LYS~D 679 5.68 13.35 111.89 5.67 9.64 115.79 5.68 11.49 113.84 2 0 1000.00 -999 ? >THR~D 680 8.43 11.19 110.35 7.57 9.87 108.88 8.00 10.53 109.61 2 0 1000.00 -999 ? >CYH~D 681 10.17 14.19 108.85 8.92 14.43 106.36 9.54 14.31 107.60 2 0 1000.00 -999 ? >THR~D 682 10.30 15.93 112.22 8.28 16.55 112.71 9.29 16.24 112.46 2 0 1000.00 -999 ? >ASP~D 683 10.92 11.27 113.73 9.10 11.00 114.79 10.01 11.14 114.26 2 0 1000.00 -999 ? >GLY~D 684 14.53 12.52 111.56 14.31 13.15 111.95 14.42 12.84 111.75 1 0 1000.00 -999 ? >ARG~D 685 14.52 17.29 109.00 14.02 16.63 106.05 14.27 16.96 107.52 2 0 1000.00 -999 ? >GLY.D 686 14.90 16.09 115.89 14.53 16.60 115.36 14.72 16.35 115.63 1 0 1000.00 -999 ? >ILE.D 687 11.99 19.53 114.32 12.61 20.06 114.08 12.30 19.80 114.20 3 0 1000.00 -999 ? >SER.D 688 9.51 16.76 117.17 9.30 14.90 115.62 9.40 15.83 116.40 2 0 1000.00 -999 ? >THR.D 689 10.77 17.46 120.70 12.45 16.09 120.93 11.61 16.77 120.81 2 0 1000.00 -999 ? >LEU.D 690 12.80 21.48 118.92 14.95 21.28 118.88 13.88 21.38 118.90 3 0 1000.00 -999 ? >PRO.D 691 11.54 24.46 122.55 10.36 23.59 120.86 10.95 24.03 121.70 3 0 1000.00 -999 ? >LEU.D 692 6.45 23.58 117.55 7.86 22.40 116.41 7.15 22.99 116.98 3 0 1000.00 -999 ? >ILE.D 693 5.76 28.45 115.49 6.06 29.56 114.54 5.91 29.01 115.01 3 0 1000.00 -999 ? >ASP.D 694 1.92 30.67 117.67 3.02 32.36 118.36 2.47 31.52 118.02 2 0 1000.00 -999 ? >GLY.D 695 -0.04 27.25 116.31 0.68 27.16 116.06 0.32 27.21 116.18 1 0 1000.00 -999 ? >VAL^D 696 2.30 24.83 114.50 4.03 25.21 113.24 3.16 25.02 113.87 3 0 1000.00 -999 ? >GLU^D 697 -0.16 21.65 117.06 -2.24 21.94 117.17 -1.20 21.80 117.12 2 0 1000.00 -999 ? >ILE^D 698 3.97 16.90 115.20 5.26 16.27 115.38 4.62 16.59 115.29 3 0 1000.00 -999 ? >GLY^D 699 0.93 15.92 111.85 1.72 15.69 111.84 1.32 15.80 111.85 1 0 1000.00 -999 ? >THR~D 700 0.98 12.68 109.88 -0.15 11.50 111.27 0.42 12.09 110.58 2 0 1000.00 -999 ? >LEU~D 701 1.67 10.41 105.69 2.53 10.21 103.75 2.10 10.31 104.72 3 0 1000.00 -999 ? >VAL~D 702 -2.52 9.81 106.85 -3.22 8.13 108.05 -2.87 8.97 107.45 3 0 1000.00 -999 ? >GLU~D 703 -4.14 15.36 109.29 -3.43 16.48 110.96 -3.79 15.92 110.12 2 0 1000.00 -999 ? >LEU~D 704 -1.14 14.82 104.22 -0.62 16.04 102.50 -0.88 15.43 103.36 3 0 1000.00 -999 ? >ALA~D 705 -4.19 12.03 102.58 -4.01 10.55 102.81 -4.10 11.29 102.70 2 0 1000.00 -999 ? >GLN~D 706 -7.31 11.46 106.23 -7.59 11.12 108.31 -7.45 11.29 107.27 2 0 1000.00 -999 ? >TRP~D 707 -6.59 17.34 106.56 -3.72 19.79 107.65 -5.15 18.56 107.11 3 0 1000.00 -999 ? >THR~D 708 -6.24 16.03 100.03 -4.44 15.41 99.02 -5.34 15.72 99.52 2 0 1000.00 -999 ? >LEU~D 709 -9.53 12.53 100.51 -9.29 10.54 99.73 -9.41 11.54 100.12 3 0 1000.00 -999 ? >SER~D 710 -11.72 16.44 101.10 -11.15 17.18 103.35 -11.43 16.81 102.22 2 0 1000.00 -999 ? >ALA~D 711 -10.12 19.43 99.35 -8.61 19.67 99.37 -9.36 19.55 99.36 2 0 1000.00 -999 ? >ASP.D 712 -11.94 22.51 96.06 -13.64 22.56 97.28 -12.79 22.54 96.67 2 0 1000.00 -999 ? >LYS^D 713 -7.67 22.00 95.11 -10.21 26.79 93.26 -8.94 24.39 94.19 2 0 1000.00 -999 ? >VAL^D 714 -4.23 21.17 96.43 -3.89 19.25 97.40 -4.06 20.21 96.92 3 0 1000.00 -999 ? >LEU^D 715 -1.38 24.97 96.07 -3.11 26.23 95.67 -2.25 25.60 95.87 3 0 1000.00 -999 ? >THR^D 716 2.22 21.96 96.19 1.79 19.99 95.35 2.01 20.98 95.77 2 0 1000.00 -999 ? >PHE.D 717 4.24 26.26 96.57 2.10 27.81 95.69 3.17 27.04 96.13 3 0 1000.00 -999 ? >MET?E 801 -16.28 8.72 92.28 -13.97 5.80 90.44 -15.13 7.26 91.36 2 0 1000.00 -999 ? >GLN.E 802 -11.60 11.69 94.15 -12.14 13.46 95.21 -11.87 12.57 94.68 2 0 1000.00 -999 ? >LYS^E 803 -10.31 11.34 89.71 -14.31 10.38 86.08 -12.31 10.86 87.90 2 0 1000.00 -999 ? >ILE^E 804 -6.65 12.09 92.60 -6.44 12.65 93.96 -6.54 12.37 93.28 3 0 1000.00 -999 ? >VAL^E 805 -3.71 12.75 89.14 -3.69 12.99 86.96 -3.70 12.87 88.05 3 0 1000.00 -999 ? >ILE^E 806 0.19 11.81 91.65 0.45 11.40 93.01 0.32 11.61 92.33 3 0 1000.00 -999 ? >VAL^E 807 2.77 14.13 88.63 2.34 15.29 86.86 2.56 14.71 87.75 3 0 1000.00 -999 ? >ALA^E 808 6.26 13.44 89.95 6.66 12.07 90.50 6.46 12.75 90.22 2 0 1000.00 -999 ? >ASN.E 809 9.03 16.79 88.22 8.46 17.48 86.28 8.75 17.14 87.25 2 0 1000.00 -999 ? >GLY.E 810 12.13 14.53 90.62 11.78 13.96 90.26 11.96 14.25 90.44 1 0 1000.00 -999 ? >ALA.E 811 14.83 11.90 90.28 16.29 12.21 89.96 15.56 12.05 90.12 2 0 1000.00 -999 ? >PRO.E 812 13.93 7.67 90.31 14.65 9.17 91.78 14.29 8.42 91.04 3 0 1000.00 -999 ? >TYR.E 813 16.95 6.34 95.22 15.56 3.92 95.02 16.26 5.13 95.12 3 0 1000.00 -999 ? >GLY.E 814 18.16 12.18 94.70 17.53 12.01 95.21 17.85 12.10 94.96 1 0 1000.00 -999 ? >SER~E 815 15.64 13.95 96.90 14.40 15.03 95.14 15.02 14.49 96.02 2 0 1000.00 -999 ? >GLU~E 816 13.59 13.43 101.56 13.10 14.12 103.51 13.34 13.78 102.53 2 0 1000.00 -999 ? >SER~E 817 10.44 14.61 96.49 9.87 15.91 94.56 10.16 15.26 95.52 2 0 1000.00 -999 ? >LEU~E 818 10.56 10.82 93.42 9.77 9.06 92.42 10.16 9.94 92.92 3 0 1000.00 -999 ? >PHE~E 819 10.32 8.83 99.89 9.66 7.52 102.27 9.99 8.17 101.08 3 0 1000.00 -999 ? >ASN~E 820 6.98 13.35 99.42 8.37 13.76 100.98 7.68 13.56 100.20 2 0 1000.00 -999 ? >SER~E 821 4.56 11.77 96.07 5.78 11.19 94.06 5.17 11.48 95.06 2 0 1000.00 -999 ? >LEU~E 822 5.87 7.08 95.73 6.31 6.51 93.70 6.09 6.80 94.71 3 0 1000.00 -999 ? >ARG~E 823 6.15 8.38 102.97 6.48 10.66 104.98 6.31 9.52 103.97 2 0 1000.00 -999 ? >LEU~E 824 1.11 11.74 98.86 -0.66 13.00 98.68 0.22 12.37 98.77 3 0 1000.00 -999 ? >ALA~E 825 -0.34 8.29 96.63 0.37 8.02 95.32 0.02 8.16 95.97 2 0 1000.00 -999 ? >ILE~E 826 1.09 4.35 99.17 2.08 3.31 99.20 1.58 3.83 99.19 3 0 1000.00 -999 ? >ALA~E 827 -1.81 6.86 101.50 -1.25 8.09 102.19 -1.53 7.48 101.85 2 0 1000.00 -999 ? >LEU~E 828 -4.46 8.89 97.95 -4.28 11.02 97.68 -4.37 9.95 97.82 3 0 1000.00 -999 ? >ARG~E 829 -6.29 2.94 95.81 -6.57 2.12 92.89 -6.43 2.53 94.35 2 0 1000.00 -999 ? >GLU~E 830 -2.83 2.39 101.60 -1.10 2.26 102.84 -1.96 2.33 102.22 2 0 1000.00 -999 ? >GLN.E 831 -6.53 7.54 103.55 -7.09 7.38 105.61 -6.81 7.46 104.58 2 0 1000.00 -999 ? >GLU.E 832 -11.98 6.47 98.38 -12.41 8.25 97.32 -12.19 7.36 97.85 2 0 1000.00 -999 ? >SER.E 833 -10.22 1.54 97.90 -10.81 -0.80 97.73 -10.52 0.37 97.81 2 0 1000.00 -999 ? >ASN.E 834 -13.08 1.99 94.17 -13.10 -0.15 94.03 -13.09 0.92 94.10 2 0 1000.00 -999 ? >LEU.E 835 -9.33 6.76 95.07 -8.43 8.73 94.96 -8.88 7.75 95.01 3 0 1000.00 -999 ? >ASP^E 836 -10.40 7.29 89.34 -9.66 7.17 87.37 -10.03 7.23 88.35 2 0 1000.00 -999 ? >LEU^E 837 -5.25 7.11 92.43 -3.33 8.07 92.64 -4.29 7.59 92.54 3 0 1000.00 -999 ? >ARG^E 838 -5.43 8.04 84.96 -8.48 7.86 84.99 -6.95 7.95 84.98 2 0 1000.00 -999 ? >LEU^E 839 1.35 7.52 89.07 1.85 8.70 90.81 1.60 8.11 89.94 3 0 1000.00 -999 ? >PHE^E 840 2.02 11.25 83.38 2.60 11.04 80.65 2.31 11.15 82.02 3 0 1000.00 -999 ? >LEU^E 841 7.09 9.20 86.30 6.48 8.13 88.06 6.79 8.67 87.18 3 0 1000.00 -999 ? >MET?E 842 8.10 13.11 83.84 5.57 16.22 82.72 6.84 14.67 83.28 2 0 1000.00 -999 ? >SER~E 843 11.68 14.34 83.43 13.06 16.19 84.21 12.37 15.27 83.82 2 0 1000.00 -999 ? >ASP~E 844 14.76 13.86 87.12 16.32 15.09 86.41 15.54 14.48 86.77 2 0 1000.00 -999 ? >ALA~E 845 11.56 10.78 87.77 10.24 11.32 88.31 10.90 11.05 88.04 2 0 1000.00 -999 ? >VAL~E 846 11.25 8.62 84.69 11.49 8.68 82.52 11.37 8.65 83.60 3 0 1000.00 -999 ? >THR~E 847 14.14 6.44 85.82 15.81 7.73 86.32 14.98 7.09 86.07 2 0 1000.00 -999 ? >ALA~E 848 12.09 5.19 88.76 11.06 6.00 89.53 11.58 5.59 89.14 2 0 1000.00 -999 ? >GLY~E 849 10.40 2.75 86.40 11.19 2.75 86.58 10.79 2.75 86.49 1 0 1000.00 -999 ? >LEU~E 850 15.03 1.25 86.42 16.13 1.82 84.64 15.58 1.53 85.53 3 0 1000.00 -999 ? >ARG.E 851 12.34 -6.28 85.84 9.93 -7.19 87.48 11.14 -6.74 86.66 2 0 1000.00 -999 ? >GLY.E 852 16.66 -3.88 89.06 16.36 -3.22 89.23 16.51 -3.55 89.15 1 0 1000.00 -999 ? >GLN.E 853 15.30 0.65 91.20 13.50 1.77 91.24 14.40 1.21 91.22 2 0 1000.00 -999 ? >LYS.E 854 18.27 -2.74 95.00 22.40 -4.32 91.61 20.33 -3.53 93.30 2 0 1000.00 -999 ? >PRO.E 855 16.81 0.90 96.83 18.58 -0.43 97.08 17.70 0.23 96.96 3 0 1000.00 -999 ? >GLY.E 856 20.23 -1.15 100.92 20.07 -0.26 100.93 20.15 -0.71 100.93 1 0 1000.00 -999 ? >GLU.E 857 20.25 3.83 103.66 20.79 5.63 102.73 20.52 4.73 103.19 2 0 1000.00 -999 ? >GLY.E 858 15.75 3.01 103.68 15.86 2.67 102.98 15.80 2.84 103.33 1 0 1000.00 -999 ? >TYR.E 859 12.76 5.81 100.24 13.78 8.00 98.81 13.27 6.91 99.52 3 0 1000.00 -999 ? >ASN~E 860 12.67 -0.08 97.97 13.13 -0.93 96.08 12.90 -0.50 97.02 2 0 1000.00 -999 ? >ILE~E 861 11.80 4.44 94.17 11.05 5.70 94.41 11.43 5.07 94.29 3 0 1000.00 -999 ? >GLN~E 862 10.93 -1.93 91.85 12.31 -3.37 91.16 11.62 -2.65 91.51 2 0 1000.00 -999 ? >GLN~E 863 9.39 -3.15 97.50 7.48 -4.03 97.79 8.43 -3.59 97.64 2 0 1000.00 -999 ? >MET?E 864 6.46 1.65 96.34 8.10 4.75 98.72 7.28 3.20 97.53 2 0 1000.00 -999 ? >LEU~E 865 6.51 1.68 91.45 6.95 3.50 90.38 6.73 2.59 90.92 3 0 1000.00 -999 ? >GLU~E 866 6.93 -3.07 92.36 8.39 -4.56 92.64 7.66 -3.81 92.50 2 0 1000.00 -999 ? >ILE~E 867 2.71 -0.70 97.17 2.89 -0.74 98.61 2.80 -0.72 97.89 3 0 1000.00 -999 ? >LEU~E 868 1.20 2.41 93.12 1.52 4.08 94.45 1.36 3.25 93.79 3 0 1000.00 -999 ? >THR~E 869 0.61 -1.04 90.34 2.43 -0.62 89.22 1.52 -0.83 89.78 2 0 1000.00 -999 ? >ALA.E 870 -1.10 -4.09 91.85 -0.12 -4.59 92.91 -0.61 -4.34 92.38 2 0 1000.00 -999 ? >GLN.E 871 -2.93 -1.55 95.46 -3.16 -0.32 97.18 -3.05 -0.94 96.32 2 0 1000.00 -999 ? >ASN.E 872 -5.86 -1.93 89.19 -6.00 -4.06 89.21 -5.93 -3.00 89.20 2 0 1000.00 -999 ? >VAL.E 873 -3.13 2.13 89.71 -2.64 3.53 91.32 -2.88 2.83 90.52 3 0 1000.00 -999 ? >PRO.E 874 -4.22 3.72 85.83 -2.32 3.21 86.89 -3.27 3.46 86.36 3 0 1000.00 -999 ? >VAL^E 875 1.68 4.59 86.29 2.87 4.10 88.05 2.28 4.34 87.17 3 0 1000.00 -999 ? >LYS^E 876 2.98 6.24 83.13 -0.33 3.85 79.32 1.33 5.04 81.22 2 0 1000.00 -999 ? >LEU^E 877 7.67 6.26 82.11 8.37 4.97 83.68 8.02 5.61 82.90 3 0 1000.00 -999 ? >CYH^E 878 6.66 10.15 79.69 6.82 12.71 78.58 6.74 11.43 79.14 2 0 1000.00 -999 ? >LYS~E 879 7.75 8.83 76.30 7.77 6.73 71.41 7.76 7.78 73.86 2 0 1000.00 -999 ? >THR~E 880 10.18 11.61 75.39 9.10 13.44 75.03 9.64 12.52 75.21 2 0 1000.00 -999 ? >CYH~E 881 11.74 11.63 78.84 10.04 13.43 80.20 10.89 12.53 79.52 2 0 1000.00 -999 ? >THR~E 882 12.35 7.88 78.61 10.47 6.80 78.65 11.41 7.34 78.63 2 0 1000.00 -999 ? >ASP~E 883 12.80 8.58 73.80 11.30 7.21 73.18 12.05 7.89 73.49 2 0 1000.00 -999 ? >GLY~E 884 16.08 10.70 76.14 16.00 9.95 76.46 16.04 10.33 76.30 1 0 1000.00 -999 ? >ARG~E 885 16.20 10.75 81.70 15.28 13.57 82.53 15.74 12.16 82.12 2 0 1000.00 -999 ? >GLY.E 886 17.54 5.31 77.16 17.09 5.50 77.79 17.31 5.40 77.48 1 0 1000.00 -999 ? >ILE.E 887 14.19 4.59 80.43 13.89 4.78 81.86 14.04 4.68 81.14 3 0 1000.00 -999 ? >SER.E 888 12.18 3.18 76.51 11.57 5.29 75.46 11.88 4.23 75.98 2 0 1000.00 -999 ? >THR.E 889 13.57 -0.26 75.70 14.87 0.25 74.11 14.22 -0.01 74.91 2 0 1000.00 -999 ? >LEU.E 890 15.77 -0.90 79.99 17.55 0.22 79.51 16.66 -0.34 79.75 3 0 1000.00 -999 ? >PRO.E 891 14.30 -5.38 81.00 13.24 -3.43 81.07 13.77 -4.41 81.03 3 0 1000.00 -999 ? >LEU.E 892 9.46 -0.56 82.83 10.19 0.98 81.50 9.82 0.21 82.16 3 0 1000.00 -999 ? >ILE.E 893 8.32 -1.34 87.96 8.44 -0.94 89.32 8.38 -1.14 88.64 3 0 1000.00 -999 ? >ASP.E 894 4.65 -5.00 87.82 5.79 -6.50 88.79 5.22 -5.75 88.30 2 0 1000.00 -999 ? >GLY.E 895 2.34 -2.26 85.73 3.05 -1.93 85.89 2.69 -2.10 85.81 1 0 1000.00 -999 ? >VAL^E 896 4.58 0.68 84.87 6.21 1.58 85.99 5.39 1.13 85.43 3 0 1000.00 -999 ? >GLU^E 897 2.92 -0.02 80.47 0.92 -0.67 80.48 1.92 -0.35 80.47 2 0 1000.00 -999 ? >ILE^E 898 6.30 4.16 77.67 7.57 4.33 77.10 6.94 4.25 77.38 3 0 1000.00 -999 ? >GLY^E 899 2.73 7.26 77.98 3.52 7.47 77.88 3.13 7.36 77.93 1 0 1000.00 -999 ? >THR~E 900 2.68 10.58 76.19 1.72 9.88 74.38 2.20 10.23 75.28 2 0 1000.00 -999 ? >LEU~E 901 3.06 15.41 76.38 3.13 17.42 77.16 3.09 16.42 76.77 3 0 1000.00 -999 ? >VAL~E 902 -1.05 13.98 75.10 -1.56 13.53 73.05 -1.30 13.75 74.07 3 0 1000.00 -999 ? >GLU~E 903 -2.26 9.12 78.81 -1.36 7.20 78.87 -1.81 8.16 78.84 2 0 1000.00 -999 ? >LEU~E 904 0.14 14.18 81.01 0.68 15.28 82.80 0.41 14.73 81.91 3 0 1000.00 -999 ? >ALA~E 905 -3.18 16.63 79.17 -2.89 17.30 77.83 -3.03 16.96 78.50 2 0 1000.00 -999 ? >GLN~E 906 -6.77 11.79 77.95 -6.04 9.94 77.14 -6.41 10.86 77.55 2 0 1000.00 -999 ? >TRP~E 907 -5.03 10.20 81.66 -2.18 8.44 83.73 -3.60 9.32 82.70 3 0 1000.00 -999 ? >THR~E 908 -5.39 16.54 83.70 -3.76 17.93 83.81 -4.58 17.24 83.75 2 0 1000.00 -999 ? >LEU~E 909 -8.59 18.15 80.46 -8.03 19.81 79.18 -8.31 18.98 79.82 3 0 1000.00 -999 ? >SER~E 910 -10.79 15.27 83.11 -9.93 13.13 82.37 -10.36 14.20 82.74 2 0 1000.00 -999 ? >ALA.E 911 -9.39 15.19 86.67 -7.90 15.03 86.86 -8.65 15.11 86.76 2 0 1000.00 -999 ? >ASP.E 912 -11.64 15.79 90.88 -13.44 15.06 90.05 -12.54 15.42 90.46 2 0 1000.00 -999 ? >LYS^E 913 -7.45 17.25 91.46 -10.06 15.70 96.92 -8.76 16.47 94.19 2 0 1000.00 -999 ? >VAL^E 914 -3.97 17.38 90.03 -3.90 17.61 87.88 -3.94 17.49 88.96 3 0 1000.00 -999 ? >LEU^E 915 -1.16 16.18 93.74 -2.84 16.08 95.09 -2.00 16.13 94.42 3 0 1000.00 -999 ? >THR^E 916 1.92 18.30 90.72 1.25 19.81 89.33 1.58 19.05 90.02 2 0 1000.00 -999 ? >PHE^E 917 4.37 15.81 94.85 3.34 16.01 97.45 3.85 15.91 96.15 3 0 1000.00 -999 ? >MET?F1001 -15.32 25.85 79.87 -13.91 29.39 78.73 -14.61 27.62 79.30 2 0 1000.00 -999 ? >GLN.F1002 -11.56 23.15 83.53 -10.95 21.17 83.04 -11.26 22.16 83.29 2 0 1000.00 -999 ? >LYS^F1003 -10.52 27.35 84.65 -12.13 32.44 85.92 -11.33 29.90 85.29 2 0 1000.00 -999 ? >ILE^F1004 -6.53 24.90 83.93 -6.19 23.49 83.70 -6.36 24.19 83.82 3 0 1000.00 -999 ? >VAL^F1005 -4.07 27.97 86.37 -4.30 29.69 87.63 -4.19 28.83 87.00 3 0 1000.00 -999 ? >ILE^F1006 0.03 26.56 84.48 0.50 25.57 83.54 0.26 26.06 84.01 3 0 1000.00 -999 ? >VAL^F1007 2.30 28.36 88.13 1.66 29.35 89.95 1.98 28.85 89.04 3 0 1000.00 -999 ? >ALA^F1008 5.96 27.95 87.18 6.47 28.14 85.77 6.22 28.04 86.48 2 0 1000.00 -999 ? >ASN.F1009 8.51 28.05 90.98 9.20 29.17 92.63 8.85 28.61 91.81 2 0 1000.00 -999 ? >GLY.F1010 11.95 27.43 88.01 11.55 28.01 87.68 11.75 27.72 87.84 1 0 1000.00 -999 ? >ALA.F1011 14.58 29.31 86.02 16.01 29.56 86.51 15.30 29.43 86.26 2 0 1000.00 -999 ? >PRO.F1012 13.47 31.16 82.32 14.52 29.30 82.90 14.00 30.23 82.61 3 0 1000.00 -999 ? >TYR.F1013 17.14 28.10 78.75 15.78 29.46 76.70 16.46 28.78 77.72 3 0 1000.00 -999 ? >GLY.F1014 18.28 25.77 84.16 17.67 25.36 83.76 17.98 25.57 83.96 1 0 1000.00 -999 ? >SER~F1015 15.86 22.90 84.61 14.31 23.63 86.32 15.09 23.26 85.46 2 0 1000.00 -999 ? >GLU~F1016 13.98 18.95 81.52 13.97 16.82 81.48 13.98 17.89 81.50 2 0 1000.00 -999 ? >SER~F1017 10.86 22.39 85.50 10.30 23.20 87.70 10.58 22.80 86.60 2 0 1000.00 -999 ? >LEU~F1018 10.40 26.85 83.58 10.18 28.67 82.42 10.29 27.76 83.00 3 0 1000.00 -999 ? >PHE~F1019 11.16 22.23 78.45 10.78 20.91 76.00 10.97 21.57 77.23 3 0 1000.00 -999 ? >ASN~F1020 7.87 19.92 82.35 9.39 18.47 81.91 8.63 19.19 82.13 2 0 1000.00 -999 ? >SER~F1021 5.18 23.52 82.61 6.11 25.70 82.96 5.65 24.61 82.79 2 0 1000.00 -999 ? >LEU~F1022 6.17 25.91 78.51 6.49 27.99 79.02 6.33 26.95 78.76 3 0 1000.00 -999 ? >ARG~F1023 7.97 19.47 77.16 7.98 16.42 77.55 7.97 17.94 77.36 2 0 1000.00 -999 ? >LEU~F1024 2.06 20.59 81.00 0.09 19.89 81.55 1.08 20.24 81.27 3 0 1000.00 -999 ? >ALA~F1025 0.47 24.29 78.98 1.21 25.60 79.25 0.84 24.95 79.11 2 0 1000.00 -999 ? >ILE~F1026 1.97 24.13 74.33 2.81 24.71 73.25 2.39 24.42 73.79 3 0 1000.00 -999 ? >ALA~F1027 -0.62 20.61 75.14 0.09 19.42 75.78 -0.26 20.02 75.46 2 0 1000.00 -999 ? >LEU~F1028 -3.68 22.15 78.63 -3.63 21.36 80.63 -3.66 21.76 79.63 3 0 1000.00 -999 ? >ARG~F1029 -6.07 26.93 75.02 -6.52 29.94 74.85 -6.30 28.43 74.93 2 0 1000.00 -999 ? >GLU~F1030 -2.35 21.98 70.56 -0.54 21.09 69.94 -1.44 21.54 70.25 2 0 1000.00 -999 ? >GLN~F1031 -5.46 17.76 75.03 -5.07 16.22 73.62 -5.27 16.99 74.32 2 0 1000.00 -999 ? >GLU~F1032 -10.42 20.53 75.74 -11.83 20.45 77.30 -11.12 20.49 76.52 2 0 1000.00 -999 ? >SER.F1033 -9.04 25.52 72.45 -10.58 25.76 70.55 -9.81 25.64 71.50 2 0 1000.00 -999 ? >ASN.F1034 -13.09 26.51 74.98 -14.19 26.45 73.18 -13.64 26.48 74.08 2 0 1000.00 -999 ? >LEU.F1035 -8.42 25.67 78.08 -7.86 24.32 79.64 -8.14 24.99 78.86 3 0 1000.00 -999 ? >ASP^F1036 -10.66 30.04 81.22 -10.14 31.88 82.13 -10.40 30.96 81.67 2 0 1000.00 -999 ? >LEU^F1037 -5.21 27.81 79.81 -3.19 27.31 80.38 -4.20 27.56 80.09 3 0 1000.00 -999 ? >ARG^F1038 -6.60 33.28 84.07 -9.40 34.53 84.25 -8.00 33.91 84.16 2 0 1000.00 -999 ? >LEU^F1039 0.98 31.27 82.02 1.86 29.31 82.22 1.42 30.29 82.12 3 0 1000.00 -999 ? >PHE^F1040 1.15 34.22 88.36 1.50 36.58 89.84 1.33 35.40 89.10 3 0 1000.00 -999 ? >LEU^F1041 6.43 33.56 85.43 6.41 32.39 83.60 6.42 32.97 84.52 3 0 1000.00 -999 ? >MET?F1042 7.22 33.38 90.05 4.70 32.54 93.22 5.96 32.96 91.64 2 0 1000.00 -999 ? >SER~F1043 10.72 34.19 91.26 10.76 31.90 92.01 10.74 33.04 91.63 2 0 1000.00 -999 ? >ASP~F1044 14.39 31.57 89.40 15.40 31.86 91.22 14.89 31.72 90.31 2 0 1000.00 -999 ? >ALA~F1045 10.97 31.90 86.30 9.66 31.13 86.52 10.32 31.51 86.41 2 0 1000.00 -999 ? >VAL~F1046 10.33 35.63 85.81 9.93 37.34 87.09 10.13 36.49 86.45 3 0 1000.00 -999 ? >THR~F1047 13.35 36.03 83.51 15.09 35.46 84.67 14.22 35.74 84.09 2 0 1000.00 -999 ? >ALA~F1048 11.67 33.71 80.98 10.75 32.56 81.32 11.21 33.14 81.15 2 0 1000.00 -999 ? >GLY~F1049 9.58 36.68 79.85 10.36 36.69 79.85 9.97 36.68 79.85 1 0 1000.00 -999 ? >LEU~F1050 14.01 38.47 78.91 14.80 39.98 80.21 14.40 39.22 79.56 3 0 1000.00 -999 ? >ARG.F1051 11.98 41.56 71.85 9.60 43.27 72.74 10.79 42.41 72.29 2 0 1000.00 -999 ? >GLY.F1052 16.09 38.13 72.61 15.69 37.53 73.01 15.89 37.83 72.81 1 0 1000.00 -999 ? >GLN.F1053 14.94 34.30 75.78 13.53 33.22 76.97 14.24 33.76 76.37 2 0 1000.00 -999 ? >LYS.F1054 18.35 32.60 71.11 23.29 34.78 68.82 20.82 33.69 69.97 2 0 1000.00 -999 ? >PRO.F1055 16.84 29.20 73.08 18.85 29.77 72.31 17.85 29.48 72.70 3 0 1000.00 -999 ? >GLY.F1056 22.36 27.57 71.29 21.59 27.26 71.36 21.97 27.42 71.32 1 0 1000.00 -999 ? >GLU.F1057 21.40 22.33 72.00 22.67 23.06 73.52 22.03 22.69 72.76 2 0 1000.00 -999 ? >GLY.F1058 17.51 22.51 72.35 17.48 23.16 71.86 17.49 22.83 72.11 1 0 1000.00 -999 ? >TYR.F1059 13.65 23.58 75.55 14.55 23.53 78.20 14.10 23.55 76.88 3 0 1000.00 -999 ? >ASN~F1060 13.43 28.51 71.65 13.06 30.60 71.77 13.25 29.55 71.71 2 0 1000.00 -999 ? >ILE~F1061 11.98 29.37 77.36 11.95 29.31 78.72 11.96 29.34 78.04 3 0 1000.00 -999 ? >GLN~F1062 10.83 34.61 73.00 12.23 35.82 71.96 11.53 35.21 72.48 2 0 1000.00 -999 ? >GLN~F1063 8.81 29.57 69.08 10.10 29.63 67.39 9.45 29.60 68.24 2 0 1000.00 -999 ? >MET?F1064 6.88 28.51 73.60 8.65 25.04 75.25 7.76 26.78 74.42 2 0 1000.00 -999 ? >LEU~F1065 6.51 32.48 76.44 6.80 32.41 78.58 6.65 32.45 77.51 3 0 1000.00 -999 ? >GLU~F1066 6.74 34.85 71.54 8.50 34.88 70.38 7.62 34.86 70.96 2 0 1000.00 -999 ? >ILE~F1067 3.47 28.86 70.83 3.61 27.66 69.93 3.54 28.26 70.38 3 0 1000.00 -999 ? >LEU~F1068 1.31 30.39 75.61 1.25 28.60 76.80 1.28 29.49 76.21 3 0 1000.00 -999 ? >THR~F1069 0.33 34.42 74.24 2.23 35.40 74.69 1.28 34.91 74.46 2 0 1000.00 -999 ? >ALA~F1070 -0.66 34.15 70.57 0.09 33.33 69.53 -0.29 33.74 70.05 2 0 1000.00 -999 ? >GLN.F1071 -2.54 29.86 71.33 -2.67 27.76 71.63 -2.60 28.81 71.48 2 0 1000.00 -999 ? >ASN.F1072 -5.76 35.07 74.01 -6.06 35.94 72.12 -5.91 35.50 73.07 2 0 1000.00 -999 ? >VAL.F1073 -3.11 32.68 77.25 -2.53 30.59 77.44 -2.82 31.64 77.35 3 0 1000.00 -999 ? >PRO.F1074 -4.89 35.38 80.17 -2.82 34.83 79.52 -3.85 35.11 79.84 3 0 1000.00 -999 ? >VAL^F1075 1.11 35.11 81.10 2.58 34.09 79.89 1.84 34.60 80.49 3 0 1000.00 -999 ? >LYS^F1076 1.84 37.21 84.17 -1.36 41.56 83.36 0.24 39.38 83.77 2 0 1000.00 -999 ? >LEU^F1077 6.36 38.63 84.99 7.37 37.79 83.29 6.86 38.21 84.14 3 0 1000.00 -999 ? >CYH^F1078 5.21 38.60 89.53 5.51 38.08 92.25 5.36 38.34 90.89 2 0 1000.00 -999 ? >LYS~F1079 5.94 42.31 90.21 3.13 46.72 88.74 4.53 44.52 89.47 2 0 1000.00 -999 ? >THR~F1080 8.25 41.82 93.20 7.11 40.96 94.78 7.68 41.39 93.99 2 0 1000.00 -999 ? >CYH~F1081 10.41 39.17 91.54 8.82 36.94 92.32 9.62 38.05 91.93 2 0 1000.00 -999 ? >THR~F1082 10.74 41.28 88.38 8.80 41.58 87.48 9.77 41.43 87.93 2 0 1000.00 -999 ? >ASP~F1083 11.06 45.04 91.49 9.21 45.92 90.92 10.14 45.48 91.20 2 0 1000.00 -999 ? >GLY~F1084 14.56 42.64 92.23 14.41 42.57 91.47 14.48 42.60 91.85 1 0 1000.00 -999 ? >ARG~F1085 14.26 37.81 89.20 14.23 35.65 91.35 14.24 36.73 90.27 2 0 1000.00 -999 ? >GLY~F1086 15.57 44.28 86.88 15.20 43.57 86.74 15.39 43.93 86.81 1 0 1000.00 -999 ? >ILE.F1087 12.72 41.09 84.65 13.30 40.59 84.32 13.01 40.84 84.49 3 0 1000.00 -999 ? >SER.F1088 10.27 45.03 85.07 10.03 44.90 87.50 10.15 44.96 86.29 2 0 1000.00 -999 ? >THR.F1089 11.62 47.88 82.97 12.88 48.97 84.33 12.25 48.43 83.65 2 0 1000.00 -999 ? >LEU.F1090 14.20 44.54 80.60 16.31 44.99 80.90 15.25 44.77 80.75 3 0 1000.00 -999 ? >PRO.F1091 13.25 45.78 76.07 11.97 44.74 77.55 12.61 45.26 76.81 3 0 1000.00 -999 ? >LEU.F1092 7.97 41.72 78.56 8.53 42.23 80.59 8.25 41.98 79.58 3 0 1000.00 -999 ? >ILE.F1093 8.04 37.19 75.78 8.37 35.73 75.60 8.20 36.46 75.69 3 0 1000.00 -999 ? >ASP.F1094 4.45 39.23 73.12 5.56 39.16 71.30 5.01 39.19 72.21 2 0 1000.00 -999 ? >GLY.F1095 1.65 39.69 75.83 2.52 39.15 76.13 2.08 39.42 75.98 1 0 1000.00 -999 ? >VAL^F1096 3.69 38.92 78.70 5.54 37.96 79.26 4.61 38.44 78.98 3 0 1000.00 -999 ? >GLU^F1097 1.02 42.32 79.98 -1.06 42.60 79.71 -0.02 42.46 79.84 2 0 1000.00 -999 ? >ILE^F1098 4.53 43.51 85.47 5.89 43.09 85.98 5.21 43.30 85.73 3 0 1000.00 -999 ? >GLY^F1099 1.21 40.87 87.51 1.99 40.99 87.83 1.60 40.93 87.67 1 0 1000.00 -999 ? >THR~F1100 0.90 40.59 91.29 -0.37 42.33 91.54 0.26 41.46 91.42 2 0 1000.00 -999 ? >LEU~F1101 1.41 37.95 95.35 1.65 36.39 96.81 1.53 37.17 96.08 3 0 1000.00 -999 ? >VAL~F1102 -2.82 39.44 94.81 -3.69 41.23 95.68 -3.26 40.34 95.24 3 0 1000.00 -999 ? >GLU~F1103 -3.49 38.56 88.65 -2.63 39.59 87.00 -3.06 39.08 87.83 2 0 1000.00 -999 ? >LEU~F1104 -1.08 34.58 92.19 -0.42 32.61 91.62 -0.75 33.60 91.90 3 0 1000.00 -999 ? >ALA~F1105 -4.50 34.75 94.95 -4.15 35.39 96.28 -4.32 35.07 95.61 2 0 1000.00 -999 ? >GLN~F1106 -8.50 37.47 92.04 -7.88 39.36 91.26 -8.19 38.42 91.65 2 0 1000.00 -999 ? >TRP~F1107 -6.17 35.32 87.98 -3.03 34.94 85.64 -4.60 35.13 86.81 3 0 1000.00 -999 ? >THR~F1108 -6.32 30.44 92.50 -4.64 30.01 93.78 -5.48 30.23 93.14 2 0 1000.00 -999 ? >LEU~F1109 -9.78 32.53 95.11 -9.41 32.74 97.22 -9.60 32.64 96.16 3 0 1000.00 -999 ? >SER~F1110 -11.52 31.15 91.07 -10.71 32.88 89.55 -11.11 32.01 90.31 2 0 1000.00 -999 ? >ALA~F1111 -9.73 28.33 89.24 -8.22 28.16 89.20 -8.97 28.24 89.22 2 0 1000.00 -999 ? >ASP.F1112 -11.31 24.03 87.80 -13.05 25.00 87.11 -12.18 24.51 87.46 2 0 1000.00 -999 ? >LYS^F1113 -7.27 23.22 89.23 -10.20 19.61 86.09 -8.74 21.41 87.66 2 0 1000.00 -999 ? >VAL^F1114 -3.97 24.90 90.05 -3.97 26.61 91.40 -3.97 25.76 90.73 3 0 1000.00 -999 ? >LEU^F1115 -1.08 22.64 86.94 -2.52 21.14 86.33 -1.80 21.89 86.63 3 0 1000.00 -999 ? >THR^F1116 2.01 24.09 90.36 1.34 23.90 92.42 1.68 23.99 91.39 2 0 1000.00 -999 ? >PHE^F1117 4.81 22.28 86.70 3.46 20.11 85.53 4.14 21.20 86.11 3 0 1000.00 -999 ?