REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-MAY-05 1ZNP COMPND HYPOTHETICAL PROTEIN ATU3615; COMPND 3 CHAIN: A, B, C, D, E, F, G; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR. C58; SOURCE 3 ORGANISM_TAXID: 176299; SOURCE 4 STRAIN: C58 / ATCC 33970; SOURCE 5 GENE: AGR L 2421; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) + MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PET21 AUTHOR A.P.KUZIN,Y.CHEN,F.FOROUHAR,S.M.VOROBIEV,R.XIAO,L.-C.MA,T.ACTON, AUTHOR 2 G.T.MONTELIONE,J.F.HUNT,L.TONG,NORTHEAST STRUCTURAL GENOMICS AUTHOR 3 CONSORTIUM (NESG) HET MSE A 5 8 HET MSE A 135 8 HET MSE B 5 8 HET MSE B 135 8 HET MSE C 5 8 HET MSE C 135 8 HET MSE D 5 8 HET MSE D 135 8 HET MSE E 5 8 HET MSE E 135 8 HET MSE F 5 8 HET MSE F 135 8 HET MSE G 5 8 HET MSE G 135 8 >ASP.A 4 68.23 -15.93 68.16 66.43 -17.05 67.96 67.33 -16.49 68.06 2 0 1000.00 -999 ? >MET?A 5 66.46 -11.63 67.31 66.19 -8.33 69.87 66.32 -9.98 68.59 2 0 1000.00 -999 ? >SER~A 6 65.63 -10.69 63.74 63.25 -10.80 63.42 64.44 -10.75 63.58 2 0 1000.00 -999 ? >ALA~A 7 65.85 -7.30 62.08 66.46 -7.03 60.72 66.15 -7.17 61.40 2 0 1000.00 -999 ? >GLN~A 8 61.02 -7.81 59.28 59.80 -6.03 59.32 60.41 -6.92 59.30 2 0 1000.00 -999 ? >ALA~A 9 61.47 -7.97 65.20 61.94 -9.18 65.99 61.71 -8.57 65.59 2 0 1000.00 -999 ? >ILE~A 10 65.23 -4.90 65.76 66.59 -4.86 66.13 65.91 -4.88 65.94 3 0 1000.00 -999 ? >ILE~A 11 62.07 -3.12 61.94 62.20 -2.78 60.53 62.13 -2.95 61.23 3 0 1000.00 -999 ? >ARG~A 12 55.88 -4.12 65.22 53.31 -2.74 66.16 54.60 -3.43 65.69 2 0 1000.00 -999 ? >GLU~A 13 60.72 -4.03 70.73 58.88 -4.27 71.77 59.80 -4.15 71.25 2 0 1000.00 -999 ? >LEU~A 14 63.01 0.01 68.04 64.39 -0.35 69.68 63.70 -0.17 68.86 3 0 1000.00 -999 ? >GLY~A 15 59.20 1.53 65.66 60.01 1.40 65.58 59.60 1.46 65.62 1 0 1000.00 -999 ? >LEU.A 16 63.17 0.99 63.00 64.58 0.66 64.60 63.88 0.83 63.80 3 0 1000.00 -999 ? >GLU^A 17 59.45 4.91 60.81 57.72 4.02 59.96 58.59 4.47 60.38 2 0 1000.00 -999 ? >PRO^A 18 61.65 3.78 55.46 63.11 3.62 57.14 62.38 3.70 56.30 3 0 1000.00 -999 ? >HIS.A 19 68.30 7.44 58.19 69.29 9.27 58.42 68.79 8.36 58.30 3 0 1000.00 -999 ? >PRO.A 20 66.24 10.32 55.17 67.08 8.33 54.67 66.66 9.33 54.92 3 0 1000.00 -999 ? >GLU.A 21 71.78 6.81 56.35 72.94 7.70 57.88 72.36 7.26 57.11 2 0 1000.00 -999 ? >GLY.A 22 69.66 3.54 54.00 69.60 4.02 54.75 69.63 3.78 54.38 1 0 1000.00 -999 ? >GLY.A 23 68.68 1.35 56.93 68.14 1.86 56.57 68.41 1.60 56.75 1 0 1000.00 -999 ? >PHE^A 24 64.77 -0.11 58.65 64.23 -1.58 56.33 64.50 -0.84 57.49 3 0 1000.00 -999 ? >TYR^A 25 66.18 6.82 61.61 64.87 9.21 60.96 65.53 8.01 61.29 3 0 1000.00 -999 ? >HIS^A 26 62.20 5.84 66.87 60.84 6.84 68.11 61.52 6.34 67.49 3 0 1000.00 -999 ? >GLN^A 27 65.16 11.94 67.23 64.76 13.91 66.53 64.96 12.93 66.88 2 0 1000.00 -999 ? >THR^A 28 64.65 8.77 70.59 66.10 7.20 70.80 65.37 7.99 70.69 2 0 1000.00 -999 ? >PHE^A 29 66.94 12.86 73.96 67.71 14.90 75.71 67.32 13.88 74.83 3 0 1000.00 -999 ? >ARG^A 30 65.29 18.58 68.53 66.93 17.71 66.07 66.11 18.14 67.30 2 0 1000.00 -999 ? >ASP.A 31 68.75 18.33 74.50 69.08 18.85 76.51 68.91 18.59 75.50 2 0 1000.00 -999 ? >LYS.A 32 64.86 20.80 75.02 61.35 17.16 73.52 63.10 18.98 74.27 2 0 1000.00 -999 ? >ALA.A 33 67.93 22.73 76.15 68.73 22.32 77.40 68.33 22.52 76.78 2 0 1000.00 -999 ? >GLY.A 34 70.31 24.34 73.69 69.54 24.39 73.55 69.93 24.37 73.62 1 0 1000.00 -999 ? >GLY.A 35 68.13 26.00 71.09 67.91 25.31 71.47 68.02 25.65 71.28 1 0 1000.00 -999 ? >GLU.A 36 63.88 25.86 67.89 64.36 27.44 69.23 64.12 26.65 68.56 2 0 1000.00 -999 ? >ARG.A 37 70.78 22.99 64.89 73.07 21.58 63.42 71.93 22.28 64.15 2 0 1000.00 -999 ? >GLY.A 38 68.95 20.92 71.28 69.57 21.15 70.74 69.26 21.04 71.01 1 0 1000.00 -999 ? >HIS.A 39 72.61 21.60 75.18 72.73 23.49 76.09 72.67 22.54 75.63 3 0 1000.00 -999 ? >SER.A 40 72.11 16.98 71.34 72.28 15.47 73.23 72.20 16.23 72.29 2 0 1000.00 -999 ? >THR^A 41 70.02 14.19 69.80 69.74 14.98 67.79 69.88 14.58 68.79 2 0 1000.00 -999 ? >ALA^A 42 70.04 10.40 69.99 69.86 9.84 71.42 69.95 10.12 70.70 2 0 1000.00 -999 ? >ILE^A 43 69.16 8.26 66.19 68.93 8.88 65.54 69.05 8.57 65.87 3 0 1000.00 -999 ? >TYR^A 44 66.92 2.90 69.12 66.79 2.44 71.87 66.85 2.67 70.50 3 0 1000.00 -999 ? >TYR^A 45 71.19 3.75 61.96 71.80 3.81 59.22 71.50 3.78 60.59 3 0 1000.00 -999 ? >LEU^A 46 68.64 -1.39 62.56 68.02 -3.42 62.09 68.33 -2.41 62.32 3 0 1000.00 -999 ? >LEU^A 47 72.92 -1.71 58.75 73.65 0.24 58.18 73.28 -0.73 58.47 3 0 1000.00 -999 ? >GLU^A 48 68.43 -5.11 57.78 66.53 -5.76 57.13 67.48 -5.43 57.46 2 0 1000.00 -999 ? >LYS.A 49 72.92 -7.75 55.33 76.18 -8.76 52.22 74.55 -8.26 53.77 2 0 1000.00 -999 ? >GLY.A 50 72.70 -6.06 51.97 72.83 -5.60 52.69 72.77 -5.83 52.33 1 0 1000.00 -999 ? >VAL.A 51 71.03 -2.83 53.08 69.01 -3.33 53.76 70.02 -3.08 53.42 3 0 1000.00 -999 ? >ARG.A 52 76.28 -0.77 50.99 76.98 1.47 49.00 76.63 0.35 50.00 2 0 1000.00 -999 ? >SER^A 53 74.47 3.07 55.07 74.87 4.78 56.75 74.67 3.93 55.91 2 0 1000.00 -999 ? >HIS^A 54 73.86 4.55 50.23 72.95 2.88 49.35 73.40 3.72 49.79 3 0 1000.00 -999 ? >TRP^A 55 80.43 6.36 49.91 83.21 6.58 52.69 81.82 6.47 51.30 3 0 1000.00 -999 ? >HIS^A 56 75.56 10.03 55.70 75.73 8.76 57.35 75.65 9.39 56.53 3 0 1000.00 -999 ? >ARG^A 57 80.17 16.17 54.24 79.01 18.76 53.02 79.59 17.46 53.63 2 0 1000.00 -999 ? >VAL^A 58 76.63 15.88 59.22 75.65 15.10 60.99 76.14 15.49 60.11 3 0 1000.00 -999 ? >THR.A 59 78.06 19.31 58.38 76.61 20.31 57.10 77.33 19.81 57.74 2 0 1000.00 -999 ? >ASP.A 60 77.29 22.28 61.76 75.22 21.88 61.46 76.25 22.08 61.61 2 0 1000.00 -999 ? >ALA.A 61 78.07 18.37 64.45 76.61 18.16 64.82 77.34 18.26 64.64 2 0 1000.00 -999 ? >VAL.A 62 80.02 15.41 65.76 81.79 15.33 67.02 80.91 15.37 66.39 3 0 1000.00 -999 ? >GLU^A 63 76.74 10.42 64.41 75.33 10.28 62.85 76.03 10.35 63.63 2 0 1000.00 -999 ? >VAL^A 64 79.17 9.17 67.88 80.15 9.42 69.79 79.66 9.30 68.84 3 0 1000.00 -999 ? >TRP^A 65 78.52 6.80 64.01 76.61 4.35 61.60 77.56 5.58 62.81 3 0 1000.00 -999 ? >HIS^A 66 76.89 5.03 71.22 77.23 7.06 71.57 77.06 6.04 71.39 3 0 1000.00 -999 ? >TYR^A 67 77.93 -3.11 69.12 77.07 -5.78 69.20 77.50 -4.45 69.16 3 0 1000.00 -999 ? >TYR^A 68 72.71 -0.25 71.19 72.60 2.48 71.85 72.65 1.11 71.52 3 0 1000.00 -999 ? >ALA^A 69 73.46 -5.77 69.29 72.02 -6.07 69.67 72.74 -5.92 69.48 2 0 1000.00 -999 ? >GLY^A 70 73.99 -7.99 66.28 74.62 -7.80 66.80 74.31 -7.90 66.54 1 0 1000.00 -999 ? >ALA.A 71 77.14 -8.46 64.21 77.12 -9.01 62.76 77.13 -8.73 63.48 2 0 1000.00 -999 ? >PRO.A 72 81.43 -7.62 63.80 79.54 -6.49 64.20 80.48 -7.06 64.00 3 0 1000.00 -999 ? >ILE^A 73 78.95 -1.85 61.97 77.99 -0.81 61.54 78.47 -1.33 61.76 3 0 1000.00 -999 ? >ALA^A 74 82.47 -1.63 59.28 82.81 -2.29 57.99 82.64 -1.96 58.64 2 0 1000.00 -999 ? >LEU^A 75 82.28 2.74 61.13 81.04 4.42 61.66 81.66 3.58 61.39 3 0 1000.00 -999 ? >HIS^A 76 83.89 2.32 55.42 83.84 0.23 55.20 83.86 1.27 55.31 3 0 1000.00 -999 ? >LEU^A 77 85.83 8.15 59.09 84.51 7.93 60.77 85.17 8.04 59.93 3 0 1000.00 -999 ? >SER^A 78 86.81 10.29 55.22 87.27 10.64 52.88 87.04 10.47 54.05 2 0 1000.00 -999 ? >GLN.A 79 88.28 15.56 58.16 86.37 15.80 59.11 87.33 15.68 58.63 2 0 1000.00 -999 ? >ASP.A 80 90.25 15.73 53.22 91.32 14.08 52.42 90.79 14.90 52.82 2 0 1000.00 -999 ? >GLY.A 81 87.08 13.16 50.88 87.86 13.04 51.09 87.47 13.10 50.99 1 0 1000.00 -999 ? >ARG.A 82 91.68 10.88 47.34 93.12 12.10 44.91 92.40 11.49 46.12 2 0 1000.00 -999 ? >GLU.A 83 94.22 10.89 53.81 94.49 12.55 52.52 94.36 11.72 53.16 2 0 1000.00 -999 ? >VAL.A 84 89.74 7.12 54.39 88.82 5.55 53.14 89.28 6.34 53.76 3 0 1000.00 -999 ? >GLN^A 85 91.20 7.03 58.74 90.56 8.92 59.49 90.88 7.97 59.11 2 0 1000.00 -999 ? >THR^A 86 87.87 2.05 58.63 87.20 0.70 57.07 87.54 1.37 57.85 2 0 1000.00 -999 ? >PHE^A 87 87.55 3.30 63.01 89.28 5.48 62.69 88.42 4.39 62.85 3 0 1000.00 -999 ? >THR^A 88 85.26 -2.22 63.15 85.76 -4.28 62.76 85.51 -3.25 62.96 2 0 1000.00 -999 ? >LEU^A 89 81.36 -0.17 65.00 80.11 1.06 66.24 80.73 0.45 65.62 3 0 1000.00 -999 ? >GLY.A 90 81.55 -3.94 67.83 82.06 -3.44 68.24 81.81 -3.69 68.04 1 0 1000.00 -999 ? >PRO.A 91 80.38 -7.08 70.67 81.80 -5.37 70.59 81.09 -6.22 70.63 3 0 1000.00 -999 ? >ALA.A 92 85.00 -7.80 70.58 85.14 -8.71 69.36 85.07 -8.26 69.97 2 0 1000.00 -999 ? >ILE.A 93 86.98 -4.82 73.72 87.07 -4.05 73.85 87.03 -4.44 73.79 3 0 1000.00 -999 ? >LEU.A 94 90.29 -9.07 73.30 90.19 -8.97 75.47 90.24 -9.02 74.39 3 0 1000.00 -999 ? >GLU.A 95 88.90 -10.56 69.29 87.20 -11.79 68.99 88.05 -11.17 69.14 2 0 1000.00 -999 ? >GLY.A 96 90.40 -4.89 67.18 89.74 -5.10 67.56 90.07 -5.00 67.37 1 0 1000.00 -999 ? >GLU^A 97 85.24 -5.44 66.67 83.98 -7.15 66.88 84.61 -6.29 66.77 2 0 1000.00 -999 ? >ARG^A 98 87.84 0.16 71.39 90.14 -1.84 71.88 88.99 -0.84 71.63 2 0 1000.00 -999 ? >PRO.A 99 82.33 -0.73 72.79 82.45 -0.47 70.57 82.39 -0.60 71.68 3 0 1000.00 -999 ? >GLN^A 100 81.75 5.45 71.82 82.15 6.31 73.72 81.95 5.88 72.77 2 0 1000.00 -999 ? >VAL^A 101 83.55 5.47 67.51 83.35 4.81 65.45 83.45 5.14 66.48 3 0 1000.00 -999 ? >ILE^A 102 84.51 10.12 67.93 84.53 10.04 68.73 84.52 10.08 68.33 3 0 1000.00 -999 ? >VAL^A 103 82.90 10.59 63.57 81.71 9.74 61.96 82.31 10.16 62.77 3 0 1000.00 -999 ? >PRO.A 104 86.04 13.36 62.39 84.16 13.44 63.57 85.10 13.40 62.98 3 0 1000.00 -999 ? >ALA.A 105 82.07 17.00 62.25 81.87 18.34 62.94 81.97 17.67 62.60 2 0 1000.00 -999 ? >ASN.A 106 82.17 18.81 58.19 81.82 19.33 56.16 81.99 19.07 57.18 2 0 1000.00 -999 ? >CYH.A 107 83.51 14.18 57.90 85.10 11.94 58.44 84.30 13.06 58.17 2 0 1000.00 -999 ? >TRP^A 108 83.45 13.61 52.47 79.79 13.88 51.06 81.62 13.74 51.77 3 0 1000.00 -999 ? >GLN^A 109 79.03 9.46 58.20 78.35 9.70 60.20 78.69 9.58 59.20 2 0 1000.00 -999 ? >SER^A 110 79.34 5.20 55.48 81.02 4.54 53.85 80.18 4.87 54.66 2 0 1000.00 -999 ? >ALA^A 111 78.80 1.82 57.06 78.38 2.08 58.51 78.59 1.95 57.79 2 0 1000.00 -999 ? >GLU^A 112 79.72 -2.60 55.37 80.99 -1.21 54.38 80.36 -1.91 54.87 2 0 1000.00 -999 ? >SER^A 113 76.70 -4.64 58.81 75.22 -6.18 60.00 75.96 -5.41 59.41 2 0 1000.00 -999 ? >LEU.A 114 80.40 -7.58 59.53 81.95 -6.17 58.98 81.18 -6.88 59.26 3 0 1000.00 -999 ? >GLY.A 115 76.32 -10.10 59.52 75.99 -9.37 59.19 76.16 -9.73 59.36 1 0 1000.00 -999 ? >ASP.A 116 71.72 -11.36 60.13 72.22 -13.29 59.43 71.97 -12.33 59.78 2 0 1000.00 -999 ? >PHE^A 117 70.39 -7.70 63.17 70.13 -8.89 65.70 70.26 -8.29 64.44 3 0 1000.00 -999 ? >THR^A 118 73.49 -4.50 63.69 75.62 -4.09 63.56 74.55 -4.30 63.62 2 0 1000.00 -999 ? >LEU^A 119 70.58 -2.94 67.14 69.31 -1.53 68.21 69.95 -2.24 67.67 3 0 1000.00 -999 ? >VAL^A 120 73.31 0.82 66.95 74.49 1.06 65.12 73.90 0.94 66.03 3 0 1000.00 -999 ? >GLY^A 121 72.80 4.16 68.61 73.51 4.07 68.08 73.16 4.11 68.35 1 0 1000.00 -999 ? >CYH^A 122 73.91 7.54 67.29 74.32 6.44 64.71 74.11 6.99 66.00 2 0 1000.00 -999 ? >THR^A 123 74.39 10.69 69.31 75.20 9.87 71.17 74.79 10.28 70.24 2 0 1000.00 -999 ? >VAL^A 124 74.82 13.99 67.50 74.17 14.25 65.43 74.49 14.12 66.46 3 0 1000.00 -999 ? >SER.A 125 75.89 16.64 69.96 77.27 17.77 71.57 76.58 17.20 70.76 2 0 1000.00 -999 ? >PRO.A 126 77.51 19.65 67.19 75.69 19.35 68.50 76.60 19.50 67.85 3 0 1000.00 -999 ? >GLY.A 127 71.94 18.47 67.56 72.49 18.45 66.97 72.21 18.46 67.27 1 0 1000.00 -999 ? >PHE.A 128 70.65 14.75 62.76 70.50 14.16 60.01 70.58 14.46 61.39 3 0 1000.00 -999 ? >ALA~A 129 69.09 18.48 61.69 69.21 19.98 61.93 69.15 19.23 61.81 2 0 1000.00 -999 ? >PHE~A 130 66.90 15.41 57.91 66.52 12.73 58.62 66.71 14.07 58.27 3 0 1000.00 -999 ? >SER~A 131 69.28 21.02 57.19 68.42 22.07 59.21 68.85 21.54 58.20 2 0 1000.00 -999 ? >SER.A 132 72.82 19.90 58.09 72.92 21.51 59.88 72.87 20.71 58.99 2 0 1000.00 -999 ? >PHE^A 133 71.49 14.32 56.19 71.71 11.60 55.52 71.60 12.96 55.85 3 0 1000.00 -999 ? >VAL^A 134 74.28 15.93 52.93 75.26 17.63 52.05 74.77 16.78 52.49 3 0 1000.00 -999 ? >MET?A 135 74.80 12.77 50.92 71.31 10.46 51.38 73.06 11.61 51.15 2 0 1000.00 -999 ? >ALA^A 136 77.25 11.95 48.17 78.49 11.10 48.36 77.87 11.52 48.27 2 0 1000.00 -999 ? >GLU^A 137 76.95 13.18 43.48 75.31 14.46 43.93 76.13 13.82 43.70 2 0 1000.00 -999 ? >PRO^A 138 73.45 7.97 43.17 75.20 8.14 44.53 74.32 8.05 43.85 3 0 1000.00 -999 ? >GLY^A 139 78.25 5.39 43.35 78.34 5.98 43.94 78.30 5.69 43.65 1 0 1000.00 -999 ? >TRP^A 140 81.91 11.34 44.74 83.01 11.08 48.52 82.46 11.21 46.63 3 0 1000.00 -999 ? >SER^A 141 83.53 7.24 46.81 83.21 4.82 46.80 83.37 6.03 46.81 2 0 1000.00 -999 ? >PRO^A 142 86.16 7.78 50.13 85.72 8.92 48.26 85.94 8.35 49.20 3 0 1000.00 -999 ? >GLY^A 143 88.92 10.46 45.86 88.22 10.88 45.76 88.57 10.67 45.81 1 0 1000.00 -999 ? >MET?B 5 104.93 -18.73 58.19 106.93 -17.62 55.08 105.93 -18.17 56.64 2 0 1000.00 -999 ? >SER^B 6 106.41 -19.92 61.37 108.64 -20.81 61.70 107.52 -20.37 61.54 2 0 1000.00 -999 ? >ALA^B 7 107.64 -16.63 62.99 107.17 -16.07 64.33 107.40 -16.35 63.66 2 0 1000.00 -999 ? >GLN^B 8 110.83 -18.83 66.40 111.38 -20.47 67.65 111.11 -19.65 67.03 2 0 1000.00 -999 ? >ALA^B 9 111.90 -18.66 60.53 111.13 -19.72 59.76 111.52 -19.19 60.15 2 0 1000.00 -999 ? >ILE^B 10 109.36 -14.66 59.53 108.10 -14.10 59.12 108.73 -14.38 59.33 3 0 1000.00 -999 ? >ILE^B 11 112.89 -13.69 63.37 112.70 -13.13 64.78 112.80 -13.41 64.07 3 0 1000.00 -999 ? >ARG^B 12 117.22 -19.12 59.96 118.61 -19.78 62.66 117.91 -19.45 61.31 2 0 1000.00 -999 ? >GLU^B 13 113.85 -15.59 54.83 115.28 -16.79 53.75 114.56 -16.19 54.29 2 0 1000.00 -999 ? >LEU^B 14 113.50 -10.83 57.39 111.94 -10.85 55.80 112.72 -10.84 56.59 3 0 1000.00 -999 ? >GLY^B 15 117.43 -10.94 59.83 116.66 -10.67 59.85 117.04 -10.80 59.84 1 0 1000.00 -999 ? >LEU^B 16 113.57 -9.73 62.38 112.23 -9.42 60.69 112.90 -9.57 61.54 3 0 1000.00 -999 ? >GLU^B 17 118.92 -7.99 65.22 120.67 -6.79 65.32 119.79 -7.39 65.27 2 0 1000.00 -999 ? >PRO^B 18 116.00 -8.31 69.89 115.10 -7.06 68.29 115.55 -7.69 69.09 3 0 1000.00 -999 ? >HIS^B 19 111.86 -1.55 66.97 111.62 0.52 66.69 111.74 -0.52 66.83 3 0 1000.00 -999 ? >PRO^B 20 115.00 0.44 69.78 113.45 -1.02 70.40 114.23 -0.29 70.09 3 0 1000.00 -999 ? >GLU^B 21 108.61 -0.41 68.89 107.68 0.79 67.43 108.15 0.19 68.15 2 0 1000.00 -999 ? >GLY^B 22 109.21 -4.29 71.22 109.44 -3.93 70.47 109.33 -4.11 70.85 1 0 1000.00 -999 ? >GLY^B 23 108.92 -6.89 68.48 109.63 -6.59 68.81 109.27 -6.74 68.65 1 0 1000.00 -999 ? >PHE^B 24 111.95 -9.81 66.91 111.81 -11.27 69.30 111.88 -10.54 68.11 3 0 1000.00 -999 ? >TYR^B 25 113.54 -3.08 63.48 115.79 -1.49 63.94 114.67 -2.29 63.71 3 0 1000.00 -999 ? >HIS^B 26 116.64 -5.97 58.47 118.35 -5.69 57.28 117.49 -5.83 57.87 3 0 1000.00 -999 ? >GLN^B 27 116.47 0.81 57.75 116.51 2.64 58.82 116.49 1.73 58.29 2 0 1000.00 -999 ? >THR^B 28 115.78 -2.34 54.51 113.91 -3.37 54.27 114.84 -2.86 54.39 2 0 1000.00 -999 ? >PHE^B 29 114.97 2.35 51.21 114.93 4.49 49.41 114.95 3.42 50.31 3 0 1000.00 -999 ? >ARG^B 30 119.44 6.69 56.41 117.56 6.65 58.84 118.50 6.67 57.62 2 0 1000.00 -999 ? >ASP^B 31 115.79 7.89 50.29 115.89 8.48 48.25 115.84 8.18 49.27 2 0 1000.00 -999 ? >LYS^B 32 120.37 8.45 49.99 122.16 6.05 53.30 121.27 7.25 51.65 2 0 1000.00 -999 ? >ALA^B 33 118.68 11.62 48.74 117.99 11.71 47.39 118.33 11.67 48.06 2 0 1000.00 -999 ? >GLY^B 34 116.93 14.07 51.04 117.69 13.86 51.21 117.31 13.96 51.13 1 0 1000.00 -999 ? >GLY^B 35 119.61 14.92 53.59 119.46 14.17 53.32 119.53 14.54 53.45 1 0 1000.00 -999 ? >GLU^B 36 123.54 13.19 57.25 124.19 14.54 55.73 123.86 13.87 56.49 2 0 1000.00 -999 ? >ARG^B 37 115.97 13.45 59.77 113.19 13.10 61.01 114.58 13.28 60.39 2 0 1000.00 -999 ? >GLY^B 38 116.93 10.72 53.63 116.44 11.14 54.16 116.69 10.93 53.90 1 0 1000.00 -999 ? >HIS^B 39 113.69 12.31 49.68 114.30 13.96 48.54 113.99 13.13 49.11 3 0 1000.00 -999 ? >SER^B 40 112.21 8.01 53.59 111.50 6.65 51.73 111.85 7.33 52.66 2 0 1000.00 -999 ? >THR^B 41 113.04 4.76 55.32 113.55 5.54 57.28 113.30 5.15 56.30 2 0 1000.00 -999 ? >ALA^B 42 111.48 1.32 55.10 111.43 0.73 53.69 111.46 1.02 54.40 2 0 1000.00 -999 ? >ILE^B 43 111.41 -0.87 59.03 111.99 -0.54 60.31 111.70 -0.70 59.67 3 0 1000.00 -999 ? >TYR^B 44 110.86 -6.68 56.19 110.80 -7.32 53.48 110.83 -7.00 54.83 3 0 1000.00 -999 ? >TYR^B 45 107.59 -3.78 63.35 107.15 -3.36 66.10 107.37 -3.57 64.73 3 0 1000.00 -999 ? >LEU^B 46 107.79 -9.56 62.85 107.65 -11.68 63.17 107.72 -10.62 63.01 3 0 1000.00 -999 ? >LEU^B 47 103.92 -7.84 66.80 104.13 -5.76 67.41 104.03 -6.80 67.10 3 0 1000.00 -999 ? >GLU^B 48 106.27 -13.43 67.53 108.02 -14.32 68.35 107.15 -13.87 67.94 2 0 1000.00 -999 ? >LYS^B 49 101.51 -13.38 70.63 97.05 -16.15 69.72 99.28 -14.76 70.18 2 0 1000.00 -999 ? >GLY^B 50 102.42 -11.33 73.69 102.52 -11.02 72.90 102.47 -11.18 73.29 1 0 1000.00 -999 ? >VAL^B 51 105.52 -9.44 72.57 106.93 -10.25 71.07 106.22 -9.85 71.82 3 0 1000.00 -999 ? >ARG^B 52 102.51 -4.74 73.81 101.72 -3.04 76.24 102.12 -3.89 75.03 2 0 1000.00 -999 ? >SER^B 53 104.57 -2.62 70.25 104.81 -0.92 68.51 104.69 -1.77 69.38 2 0 1000.00 -999 ? >HIS^B 54 105.74 -1.51 75.10 105.85 -3.38 76.05 105.80 -2.44 75.57 3 0 1000.00 -999 ? >TRP^B 55 100.56 2.83 75.26 98.17 4.11 72.40 99.37 3.47 73.83 3 0 1000.00 -999 ? >HIS^B 56 106.42 4.00 69.33 105.72 2.89 67.70 106.07 3.44 68.52 3 0 1000.00 -999 ? >ARG^B 57 104.65 11.30 70.89 106.21 13.49 72.41 105.43 12.39 71.65 2 0 1000.00 -999 ? >VAL^B 58 107.82 9.67 65.74 108.46 8.60 63.98 108.14 9.14 64.86 3 0 1000.00 -999 ? >THR^B 59 107.92 13.36 66.60 109.54 13.59 68.00 108.73 13.48 67.30 2 0 1000.00 -999 ? >ASP^B 60 109.90 15.56 63.09 111.61 14.30 63.05 110.76 14.93 63.07 2 0 1000.00 -999 ? >ALA^B 61 107.47 12.26 60.52 108.70 11.43 60.11 108.08 11.85 60.32 2 0 1000.00 -999 ? >VAL^B 62 104.53 10.29 59.21 102.78 10.84 57.98 103.66 10.56 58.60 3 0 1000.00 -999 ? >GLU^B 63 105.38 4.37 60.53 106.46 3.57 62.17 105.92 3.97 61.35 2 0 1000.00 -999 ? >VAL^B 64 102.54 4.23 57.15 101.84 4.73 55.13 102.19 4.48 56.14 3 0 1000.00 -999 ? >TRP^B 65 102.28 2.05 61.38 103.07 -0.93 63.83 102.68 0.56 62.61 3 0 1000.00 -999 ? >HIS^B 66 102.84 -0.66 54.17 103.43 1.28 53.66 103.14 0.31 53.92 3 0 1000.00 -999 ? >TYR^B 67 98.56 -7.47 56.57 98.25 -10.24 56.52 98.41 -8.86 56.54 3 0 1000.00 -999 ? >TYR^B 68 104.44 -6.99 54.40 105.62 -4.60 53.52 105.03 -5.80 53.96 3 0 1000.00 -999 ? >ALA^B 69 101.56 -11.71 56.42 102.74 -12.60 56.03 102.15 -12.16 56.22 2 0 1000.00 -999 ? >GLY^B 70 100.03 -13.50 59.38 99.57 -13.01 58.93 99.80 -13.26 59.16 1 0 1000.00 -999 ? >ALA^B 71 97.19 -12.55 61.69 97.12 -12.94 63.17 97.16 -12.75 62.43 2 0 1000.00 -999 ? >PRO^B 72 93.78 -9.80 62.23 95.91 -9.71 61.62 94.84 -9.76 61.93 3 0 1000.00 -999 ? >ILE^B 73 98.31 -5.61 63.64 99.66 -5.14 64.09 98.98 -5.37 63.86 3 0 1000.00 -999 ? >ALA^B 74 95.22 -3.99 66.38 94.72 -4.45 67.71 94.97 -4.22 67.05 2 0 1000.00 -999 ? >LEU^B 75 97.17 -0.15 64.39 98.76 1.21 63.87 97.97 0.53 64.13 3 0 1000.00 -999 ? >HIS^B 76 95.64 0.40 70.15 94.97 -1.56 70.45 95.31 -0.58 70.30 3 0 1000.00 -999 ? >LEU^B 77 96.20 6.30 66.11 97.45 5.54 64.53 96.83 5.92 65.32 3 0 1000.00 -999 ? >SER^B 78 96.23 8.84 69.88 95.99 9.46 72.20 96.11 9.15 71.04 2 0 1000.00 -999 ? >GLN^B 79 97.13 14.08 66.68 98.96 13.49 65.73 98.05 13.78 66.20 2 0 1000.00 -999 ? >ASP^B 80 95.36 15.08 71.79 93.63 13.93 72.30 94.49 14.51 72.05 2 0 1000.00 -999 ? >GLY^B 81 97.34 11.46 74.10 96.60 11.76 73.99 96.97 11.61 74.04 1 0 1000.00 -999 ? >ARG^B 82 93.86 13.67 77.92 90.90 13.36 78.78 92.38 13.52 78.35 2 0 1000.00 -999 ? >GLU^B 83 90.90 12.33 72.01 89.67 13.51 73.28 90.29 12.92 72.65 2 0 1000.00 -999 ? >VAL^B 84 92.52 6.92 70.89 93.06 5.04 71.85 92.79 5.98 71.37 3 0 1000.00 -999 ? >GLN^B 85 91.28 7.46 66.66 91.93 8.58 64.98 91.60 8.02 65.82 2 0 1000.00 -999 ? >THR^B 86 91.70 1.41 67.18 91.65 -0.04 68.79 91.67 0.68 67.98 2 0 1000.00 -999 ? >PHE^B 87 92.74 1.20 61.48 91.81 1.79 58.87 92.27 1.49 60.17 3 0 1000.00 -999 ? >THR^B 88 92.42 -3.56 62.57 91.00 -5.14 62.99 91.71 -4.35 62.78 2 0 1000.00 -999 ? >LEU^B 89 96.78 -3.28 60.59 98.43 -2.58 59.39 97.60 -2.93 59.99 3 0 1000.00 -999 ? >GLY^B 90 94.71 -6.72 57.92 94.48 -6.03 57.51 94.60 -6.38 57.72 1 0 1000.00 -999 ? >PRO^B 91 94.65 -9.96 55.04 94.02 -7.85 55.09 94.33 -8.90 55.07 3 0 1000.00 -999 ? >ALA^B 92 90.19 -8.86 55.19 89.73 -9.56 56.47 89.96 -9.21 55.83 2 0 1000.00 -999 ? >ILE^B 93 89.16 -5.74 51.70 89.89 -4.54 51.66 89.52 -5.14 51.68 3 0 1000.00 -999 ? >LEU^B 94 84.64 -7.96 52.61 84.65 -7.74 50.46 84.65 -7.85 51.53 3 0 1000.00 -999 ? >GLU^B 95 86.41 -9.92 56.69 84.73 -11.14 56.90 85.57 -10.53 56.80 2 0 1000.00 -999 ? >GLY^B 96 86.27 -4.06 58.47 86.85 -4.54 58.20 86.56 -4.30 58.34 1 0 1000.00 -999 ? >GLU^B 97 90.57 -6.69 59.25 91.39 -8.64 58.96 90.98 -7.67 59.11 2 0 1000.00 -999 ? >ARG^B 98 90.82 -0.63 54.27 87.87 -1.34 53.72 89.35 -0.99 54.00 2 0 1000.00 -999 ? >PRO^B 99 95.30 -3.57 52.94 95.36 -3.24 55.14 95.33 -3.40 54.04 3 0 1000.00 -999 ? >GLN^B 100 98.51 1.81 53.60 98.35 2.67 51.66 98.43 2.24 52.63 2 0 1000.00 -999 ? >VAL^B 101 97.13 2.77 57.93 96.85 2.03 60.00 96.99 2.40 58.96 3 0 1000.00 -999 ? >ILE^B 102 98.25 7.30 57.20 98.15 7.89 56.10 98.20 7.59 56.65 3 0 1000.00 -999 ? >VAL^B 103 100.08 7.41 61.47 100.84 6.16 63.09 100.46 6.79 62.28 3 0 1000.00 -999 ? >PRO^B 104 97.98 11.12 61.63 100.13 10.54 61.56 99.06 10.83 61.59 3 0 1000.00 -999 ? >ALA^B 105 103.53 12.96 62.64 104.17 14.18 61.98 103.85 13.57 62.31 2 0 1000.00 -999 ? >ASN^B 106 103.99 14.56 66.71 104.51 14.94 68.73 104.25 14.75 67.72 2 0 1000.00 -999 ? >CYH^B 107 100.96 10.80 66.91 98.61 9.38 66.24 99.78 10.09 66.58 2 0 1000.00 -999 ? >TRP^B 108 100.57 10.48 72.38 103.96 9.29 73.96 102.27 9.88 73.17 3 0 1000.00 -999 ? >GLN^B 109 102.91 4.92 66.93 103.68 4.39 65.01 103.29 4.66 65.97 2 0 1000.00 -999 ? >SER^B 110 100.93 1.06 69.83 99.13 1.26 71.49 100.03 1.16 70.66 2 0 1000.00 -999 ? >ALA^B 111 99.97 -2.31 68.40 100.38 -2.23 66.93 100.17 -2.27 67.66 2 0 1000.00 -999 ? >GLU^B 112 97.68 -6.05 70.67 97.17 -4.17 71.55 97.42 -5.11 71.11 2 0 1000.00 -999 ? >SER^B 113 99.14 -9.08 66.86 99.74 -11.10 65.62 99.44 -10.09 66.24 2 0 1000.00 -999 ? >LEU^B 114 94.50 -10.00 66.27 93.83 -7.99 66.85 94.17 -8.99 66.56 3 0 1000.00 -999 ? >GLY^B 115 97.29 -13.95 66.46 97.87 -13.44 66.76 97.58 -13.69 66.61 1 0 1000.00 -999 ? >ASP^B 116 100.83 -17.20 65.81 99.40 -18.72 66.15 100.11 -17.96 65.98 2 0 1000.00 -999 ? >PHE^B 117 103.64 -14.43 62.80 103.42 -15.48 60.20 103.53 -14.96 61.50 3 0 1000.00 -999 ? >THR^B 118 101.98 -10.42 62.16 100.19 -9.18 62.39 101.09 -9.80 62.28 2 0 1000.00 -999 ? >LEU^B 119 105.21 -10.27 58.66 106.98 -9.66 57.55 106.09 -9.97 58.10 3 0 1000.00 -999 ? >VAL^B 120 104.41 -5.68 58.63 103.47 -4.85 60.43 103.94 -5.26 59.53 3 0 1000.00 -999 ? >GLY^B 121 106.30 -2.99 56.74 105.62 -2.72 57.30 105.96 -2.85 57.02 1 0 1000.00 -999 ? >CYH^B 122 106.74 0.55 58.01 106.15 -0.15 60.73 106.45 0.20 59.37 2 0 1000.00 -999 ? >THR^B 123 107.43 3.60 55.85 106.24 3.29 54.07 106.83 3.44 54.96 2 0 1000.00 -999 ? >VAL^B 124 108.59 6.84 57.44 109.25 6.81 59.52 108.92 6.82 58.48 3 0 1000.00 -999 ? >SER^B 125 108.92 9.71 55.02 108.31 11.30 53.37 108.61 10.51 54.20 2 0 1000.00 -999 ? >PRO^B 126 109.72 13.76 56.86 110.69 11.83 56.33 110.20 12.80 56.60 3 0 1000.00 -999 ? >GLY^B 127 113.67 9.11 57.19 113.28 9.63 57.65 113.48 9.37 57.42 1 0 1000.00 -999 ? >PHE^B 128 112.66 5.85 62.39 112.57 5.29 65.14 112.62 5.57 63.76 3 0 1000.00 -999 ? >ALA^B 129 115.63 8.75 63.25 116.10 10.17 62.93 115.87 9.46 63.09 2 0 1000.00 -999 ? >PHE^B 130 116.51 5.27 67.22 115.75 2.62 66.71 116.13 3.95 66.97 3 0 1000.00 -999 ? >SER^B 131 116.59 11.36 67.72 117.42 12.48 65.75 117.00 11.92 66.74 2 0 1000.00 -999 ? >SER^B 132 112.92 11.86 66.81 113.55 12.86 64.69 113.24 12.36 65.75 2 0 1000.00 -999 ? >PHE^B 133 111.92 6.28 69.06 110.66 4.03 70.13 111.29 5.15 69.59 3 0 1000.00 -999 ? >VAL^B 134 110.10 8.87 72.10 109.70 10.81 73.00 109.90 9.84 72.55 3 0 1000.00 -999 ? >MET?B 135 108.50 6.11 74.13 110.79 2.54 73.79 109.65 4.32 73.96 2 0 1000.00 -999 ? >ALA^B 136 105.86 6.52 76.79 104.36 6.26 76.58 105.11 6.39 76.69 2 0 1000.00 -999 ? >GLU^B 137 106.88 7.72 81.66 108.97 7.85 81.24 107.93 7.79 81.45 2 0 1000.00 -999 ? >PRO^B 138 108.07 1.41 80.88 106.11 2.44 80.75 107.09 1.92 80.82 3 0 1000.00 -999 ? >GLY^B 139 102.23 1.21 82.08 102.40 1.76 81.50 102.32 1.48 81.79 1 0 1000.00 -999 ? >TRP^B 140 100.97 7.87 80.25 100.17 7.97 76.39 100.57 7.92 78.32 3 0 1000.00 -999 ? >SER^B 141 98.00 4.68 78.42 95.99 3.39 77.97 96.99 4.04 78.20 2 0 1000.00 -999 ? >PRO^B 142 96.66 6.67 74.74 96.64 7.08 76.92 96.65 6.87 75.83 3 0 1000.00 -999 ? >GLY^B 143 94.73 9.78 79.57 95.57 9.63 79.66 95.15 9.70 79.61 1 0 1000.00 -999 ? >ASP^B 144 98.17 7.68 82.22 96.91 6.00 82.49 97.54 6.84 82.36 2 0 1000.00 -999 ? >MET?C 5 86.68 -11.69 47.75 89.32 -9.29 50.02 88.00 -10.49 48.88 2 0 1000.00 -999 ? >SER^C 6 87.24 -10.74 44.11 85.03 -10.06 43.41 86.13 -10.40 43.76 2 0 1000.00 -999 ? >ALA^C 7 88.82 -7.96 42.08 89.45 -8.10 40.70 89.14 -8.03 41.39 2 0 1000.00 -999 ? >GLN^C 8 84.27 -7.44 39.42 85.73 -8.92 38.86 85.00 -8.18 39.14 2 0 1000.00 -999 ? >ALA^C 9 84.54 -6.45 45.33 84.33 -7.68 46.20 84.44 -7.07 45.77 2 0 1000.00 -999 ? >ILE^C 10 89.30 -5.52 45.78 90.55 -6.08 46.14 89.92 -5.80 45.96 3 0 1000.00 -999 ? >ILE^C 11 87.21 -2.45 41.98 87.56 -2.32 40.61 87.39 -2.38 41.30 3 0 1000.00 -999 ? >ARG^C 12 80.31 -1.86 44.59 79.20 -0.85 41.89 79.75 -1.36 43.24 2 0 1000.00 -999 ? >GLU^C 13 85.79 -2.69 50.92 83.96 -2.42 51.97 84.88 -2.56 51.44 2 0 1000.00 -999 ? >LEU^C 14 89.64 -0.08 47.97 90.70 -1.33 49.37 90.17 -0.71 48.67 3 0 1000.00 -999 ? >GLY^C 15 86.63 2.84 45.80 87.34 2.41 45.74 86.99 2.62 45.77 1 0 1000.00 -999 ? >LEU^C 16 90.00 0.74 43.03 91.11 -0.09 44.69 90.56 0.33 43.86 3 0 1000.00 -999 ? >GLU^C 17 88.36 6.10 39.25 86.44 5.65 40.03 87.40 5.87 39.64 2 0 1000.00 -999 ? >PRO^C 18 89.61 4.06 35.56 90.85 3.20 37.18 90.23 3.63 36.37 3 0 1000.00 -999 ? >HIS^C 19 97.25 4.13 37.82 99.00 5.28 37.99 98.12 4.70 37.90 3 0 1000.00 -999 ? >PRO^C 20 96.60 7.45 34.57 96.50 5.27 34.15 96.55 6.36 34.36 3 0 1000.00 -999 ? >GLU^C 21 100.13 2.12 35.94 101.59 2.39 37.44 100.86 2.26 36.69 2 0 1000.00 -999 ? >GLY^C 22 96.64 0.10 33.75 96.86 0.54 34.47 96.75 0.32 34.11 1 0 1000.00 -999 ? >GLY^C 23 95.01 -1.53 36.75 94.75 -0.84 36.39 94.88 -1.19 36.57 1 0 1000.00 -999 ? >PHE^C 24 90.85 -0.94 38.63 89.40 -1.87 36.42 90.12 -1.40 37.52 3 0 1000.00 -999 ? >TYR^C 25 95.17 4.61 41.40 94.97 7.29 40.59 95.07 5.95 40.99 3 0 1000.00 -999 ? >HIS^C 26 91.57 5.54 46.88 91.00 7.03 48.24 91.28 6.28 47.56 3 0 1000.00 -999 ? >GLN^C 27 96.64 9.81 46.89 97.30 11.68 46.10 96.97 10.74 46.49 2 0 1000.00 -999 ? >THR^C 28 95.10 7.11 50.19 95.81 5.10 50.46 95.46 6.11 50.33 2 0 1000.00 -999 ? >PHE^C 29 99.02 10.09 53.27 100.56 11.73 54.93 99.79 10.91 54.10 3 0 1000.00 -999 ? >ARG^C 30 99.57 15.75 47.69 99.46 13.81 45.32 99.52 14.78 46.51 2 0 1000.00 -999 ? >ASP^C 31 102.87 14.30 53.63 103.39 14.70 55.61 103.13 14.50 54.62 2 0 1000.00 -999 ? >LYS^C 32 100.35 18.16 53.93 95.23 17.58 54.69 97.79 17.87 54.31 2 0 1000.00 -999 ? >ALA^C 33 103.99 18.71 54.88 104.54 18.31 56.24 104.26 18.51 55.56 2 0 1000.00 -999 ? >GLY^C 34 106.94 18.74 52.51 106.34 19.23 52.35 106.64 18.98 52.43 1 0 1000.00 -999 ? >GLY^C 35 105.80 21.23 49.90 105.27 20.70 50.18 105.53 20.96 50.04 1 0 1000.00 -999 ? >GLU^C 36 102.88 23.22 45.76 100.90 23.66 46.41 101.89 23.44 46.08 2 0 1000.00 -999 ? >ARG^C 37 106.19 16.13 44.26 108.66 14.95 42.92 107.43 15.54 43.59 2 0 1000.00 -999 ? >GLY^C 38 104.33 16.44 50.20 104.81 16.31 49.64 104.57 16.38 49.92 1 0 1000.00 -999 ? >HIS^C 39 107.68 15.35 54.10 108.53 17.03 55.03 108.10 16.19 54.56 3 0 1000.00 -999 ? >SER^C 40 105.16 11.34 50.57 104.57 10.13 52.56 104.86 10.74 51.57 2 0 1000.00 -999 ? >THR^C 41 102.09 9.81 48.91 102.21 10.62 46.90 102.15 10.22 47.91 2 0 1000.00 -999 ? >ALA^C 42 100.45 6.41 49.47 100.08 6.09 50.92 100.27 6.25 50.19 2 0 1000.00 -999 ? >ILE^C 43 98.66 4.64 45.72 98.72 5.28 45.07 98.69 4.96 45.40 3 0 1000.00 -999 ? >TYR^C 44 94.45 0.93 48.96 94.04 0.54 51.71 94.25 0.73 50.33 3 0 1000.00 -999 ? >TYR^C 45 98.44 -0.43 41.69 98.84 -0.73 38.94 98.64 -0.58 40.31 3 0 1000.00 -999 ? >LEU^C 46 93.56 -3.61 42.42 92.30 -5.36 42.70 92.93 -4.49 42.56 3 0 1000.00 -999 ? >LEU^C 47 97.53 -6.03 38.92 98.99 -4.70 38.00 98.26 -5.36 38.46 3 0 1000.00 -999 ? >GLU^C 48 91.29 -6.92 37.98 89.41 -6.48 37.12 90.35 -6.70 37.55 2 0 1000.00 -999 ? >LYS^C 49 94.27 -11.32 35.79 91.70 -16.71 35.28 92.99 -14.01 35.54 2 0 1000.00 -999 ? >GLY^C 50 96.00 -10.52 32.52 96.13 -10.06 33.12 96.06 -10.29 32.82 1 0 1000.00 -999 ? >VAL^C 51 96.33 -6.75 32.76 95.57 -5.21 34.08 95.95 -5.98 33.42 3 0 1000.00 -999 ? >ARG^C 52 103.30 -7.09 30.86 102.68 -5.07 28.61 102.99 -6.08 29.73 2 0 1000.00 -999 ? >SER^C 53 100.83 -2.39 33.85 102.59 -2.37 35.51 101.71 -2.38 34.68 2 0 1000.00 -999 ? >HIS^C 54 100.72 0.34 29.70 98.81 -0.09 28.95 99.76 0.12 29.33 3 0 1000.00 -999 ? >TRP^C 55 107.56 -2.37 29.48 110.05 -3.52 32.30 108.81 -2.94 30.89 3 0 1000.00 -999 ? >HIS^C 56 105.12 3.11 35.15 104.74 1.87 36.80 104.93 2.49 35.97 3 0 1000.00 -999 ? >ARG^C 57 112.22 5.86 33.33 112.17 8.48 31.69 112.20 7.17 32.51 2 0 1000.00 -999 ? >VAL^C 58 108.52 7.83 38.60 107.54 7.35 40.45 108.03 7.59 39.52 3 0 1000.00 -999 ? >THR^C 59 111.20 10.21 37.37 110.20 11.65 36.13 110.70 10.93 36.75 2 0 1000.00 -999 ? >ASP^C 60 112.24 13.30 40.61 110.22 13.86 40.76 111.23 13.58 40.68 2 0 1000.00 -999 ? >ALA^C 61 111.26 9.49 43.41 109.89 9.95 43.86 110.57 9.72 43.63 2 0 1000.00 -999 ? >VAL^C 62 111.86 6.07 44.91 113.45 5.28 46.17 112.66 5.68 45.54 3 0 1000.00 -999 ? >GLU^C 63 106.44 3.25 43.98 105.14 3.29 42.31 105.79 3.27 43.14 2 0 1000.00 -999 ? >VAL^C 64 108.06 1.20 47.42 108.96 1.17 49.38 108.51 1.19 48.40 3 0 1000.00 -999 ? >TRP^C 65 106.57 -0.85 43.65 103.67 -2.05 41.28 105.12 -1.45 42.47 3 0 1000.00 -999 ? >HIS^C 66 104.19 -1.49 50.77 105.36 0.23 51.04 104.78 -0.63 50.90 3 0 1000.00 -999 ? >TYR^C 67 101.70 -9.40 48.95 99.73 -11.38 49.19 100.72 -10.39 49.07 3 0 1000.00 -999 ? >TYR^C 68 98.36 -4.31 50.85 99.46 -1.80 51.51 98.91 -3.05 51.18 3 0 1000.00 -999 ? >ALA^C 69 96.58 -9.70 49.35 95.16 -9.41 49.87 95.87 -9.56 49.61 2 0 1000.00 -999 ? >GLY^C 70 95.78 -11.96 46.43 96.46 -12.06 46.88 96.12 -12.01 46.65 1 0 1000.00 -999 ? >ALA^C 71 98.19 -13.83 44.17 97.90 -14.23 42.73 98.05 -14.03 43.45 2 0 1000.00 -999 ? >PRO^C 72 102.43 -14.94 43.72 101.21 -13.14 44.20 101.82 -14.04 43.96 3 0 1000.00 -999 ? >ILE^C 73 102.91 -8.64 42.03 102.58 -7.25 41.59 102.75 -7.95 41.81 3 0 1000.00 -999 ? >ALA^C 74 105.77 -10.33 39.08 105.54 -11.10 37.80 105.66 -10.71 38.44 2 0 1000.00 -999 ? >LEU^C 75 107.78 -6.32 40.61 107.76 -4.21 41.08 107.77 -5.26 40.84 3 0 1000.00 -999 ? >HIS^C 76 108.55 -7.66 34.79 107.63 -9.54 34.71 108.09 -8.60 34.75 3 0 1000.00 -999 ? >LEU^C 77 113.11 -3.35 38.34 111.26 -3.36 39.46 112.18 -3.36 38.90 3 0 1000.00 -999 ? >SER^C 78 115.22 -2.03 34.56 115.88 -2.13 32.22 115.55 -2.08 33.39 2 0 1000.00 -999 ? >GLN^C 79 118.82 2.24 37.34 117.40 3.84 37.55 118.11 3.04 37.44 2 0 1000.00 -999 ? >ASP^C 80 120.82 0.83 32.56 120.79 -1.29 32.55 120.80 -0.23 32.56 2 0 1000.00 -999 ? >GLY^C 81 116.71 0.41 30.23 117.35 -0.04 30.36 117.03 0.19 30.30 1 0 1000.00 -999 ? >ARG^C 82 120.44 -3.58 26.41 123.04 -4.71 25.21 121.74 -4.14 25.81 2 0 1000.00 -999 ? >GLU^C 83 120.23 -7.18 32.47 122.18 -7.87 32.98 121.21 -7.52 32.73 2 0 1000.00 -999 ? >VAL^C 84 115.85 -6.29 33.36 113.96 -7.15 32.69 114.91 -6.72 33.02 3 0 1000.00 -999 ? >GLN^C 85 117.67 -7.55 37.72 118.84 -6.31 39.01 118.25 -6.93 38.36 2 0 1000.00 -999 ? >THR^C 86 112.21 -9.63 38.02 110.80 -10.68 36.78 111.50 -10.16 37.40 2 0 1000.00 -999 ? >PHE^C 87 112.68 -7.94 42.31 115.11 -6.61 41.93 113.90 -7.28 42.12 3 0 1000.00 -999 ? >THR^C 88 108.22 -11.83 43.02 107.77 -13.91 42.79 108.00 -12.87 42.91 2 0 1000.00 -999 ? >LEU^C 89 105.63 -8.18 44.71 105.00 -6.44 45.84 105.31 -7.31 45.27 3 0 1000.00 -999 ? >GLY^C 90 104.56 -11.86 47.67 105.19 -11.56 48.06 104.88 -11.71 47.86 1 0 1000.00 -999 ? >PRO^C 91 102.05 -13.77 50.71 104.13 -12.99 50.53 103.09 -13.38 50.62 3 0 1000.00 -999 ? >ALA^C 92 106.06 -16.47 50.69 105.91 -17.37 49.48 105.99 -16.92 50.09 2 0 1000.00 -999 ? >ILE^C 93 109.04 -14.81 54.13 109.46 -13.45 53.97 109.25 -14.13 54.05 3 0 1000.00 -999 ? >LEU^C 94 109.98 -19.85 54.01 109.92 -19.63 56.16 109.95 -19.74 55.08 3 0 1000.00 -999 ? >GLU^C 95 109.44 -21.45 49.25 108.60 -21.45 51.20 109.02 -21.45 50.22 2 0 1000.00 -999 ? >GLY^C 96 112.58 -16.17 48.05 111.83 -16.16 48.25 112.20 -16.17 48.15 1 0 1000.00 -999 ? >GLU^C 97 107.13 -14.42 46.77 105.31 -15.52 46.90 106.22 -14.97 46.83 2 0 1000.00 -999 ? >ARG^C 98 112.50 -10.60 50.51 113.47 -13.23 51.72 112.98 -11.92 51.11 2 0 1000.00 -999 ? >PRO^C 99 106.88 -8.85 52.53 106.99 -8.84 50.31 106.93 -8.84 51.42 3 0 1000.00 -999 ? >GLN^C 100 109.15 -3.27 51.46 109.92 -2.63 53.34 109.54 -2.95 52.40 2 0 1000.00 -999 ? >VAL^C 101 110.47 -4.24 47.05 109.80 -4.83 45.06 110.14 -4.53 46.05 3 0 1000.00 -999 ? >ILE^C 102 113.36 -0.39 47.41 113.69 -0.29 48.31 113.52 -0.34 47.86 3 0 1000.00 -999 ? >VAL^C 103 112.14 0.54 43.01 110.65 0.22 41.47 111.40 0.38 42.24 3 0 1000.00 -999 ? >PRO^C 104 116.36 1.24 42.57 114.54 2.50 42.71 115.45 1.87 42.64 3 0 1000.00 -999 ? >ALA^C 105 114.03 6.56 41.42 114.56 7.89 41.97 114.29 7.22 41.70 2 0 1000.00 -999 ? >ASN^C 106 114.77 7.64 37.22 114.39 8.54 35.33 114.58 8.09 36.28 2 0 1000.00 -999 ? >CYH^C 107 113.82 2.96 37.31 114.54 0.32 37.93 114.18 1.64 37.62 2 0 1000.00 -999 ? >TRP^C 108 113.82 2.21 31.91 110.94 4.35 30.28 112.38 3.28 31.10 3 0 1000.00 -999 ? >GLN^C 109 107.89 1.12 37.73 107.35 1.62 39.73 107.62 1.37 38.73 2 0 1000.00 -999 ? >SER^C 110 106.00 -2.85 35.07 107.24 -4.16 33.42 106.62 -3.51 34.24 2 0 1000.00 -999 ? >ALA^C 111 104.07 -5.53 36.96 103.82 -5.14 38.41 103.94 -5.33 37.69 2 0 1000.00 -999 ? >GLU^C 112 103.37 -9.19 34.88 103.78 -10.48 33.25 103.57 -9.84 34.06 2 0 1000.00 -999 ? >SER^C 113 99.57 -10.46 38.92 97.63 -11.13 40.21 98.60 -10.79 39.56 2 0 1000.00 -999 ? >LEU^C 114 101.59 -14.85 39.44 103.32 -13.78 38.71 102.45 -14.31 39.07 3 0 1000.00 -999 ? >GLY^C 115 96.82 -14.95 39.57 96.81 -14.21 39.23 96.81 -14.58 39.40 1 0 1000.00 -999 ? >ASP^C 116 92.16 -14.23 40.61 91.46 -16.14 40.06 91.81 -15.19 40.33 2 0 1000.00 -999 ? >PHE^C 117 92.52 -10.32 43.02 91.51 -11.30 45.43 92.01 -10.81 44.23 3 0 1000.00 -999 ? >THR^C 118 96.80 -8.75 43.62 98.88 -9.30 43.47 97.84 -9.03 43.55 2 0 1000.00 -999 ? >LEU^C 119 94.95 -5.97 46.98 94.73 -3.99 47.81 94.84 -4.98 47.39 3 0 1000.00 -999 ? >VAL^C 120 99.17 -3.85 46.82 100.29 -4.14 44.98 99.73 -4.00 45.90 3 0 1000.00 -999 ? >GLY^C 121 100.26 -0.57 48.32 100.83 -0.94 47.75 100.55 -0.75 48.04 1 0 1000.00 -999 ? >CYH^C 122 102.57 2.05 46.85 102.34 0.85 44.33 102.46 1.45 45.59 2 0 1000.00 -999 ? >THR^C 123 104.60 4.66 48.70 105.04 3.63 50.56 104.82 4.14 49.63 2 0 1000.00 -999 ? >VAL^C 124 106.51 7.43 47.01 106.16 7.71 44.85 106.33 7.57 45.93 3 0 1000.00 -999 ? >SER^C 125 108.74 9.98 48.67 109.80 10.45 50.82 109.27 10.21 49.75 2 0 1000.00 -999 ? >PRO^C 126 110.43 13.60 46.18 109.42 12.30 47.69 109.92 12.95 46.94 3 0 1000.00 -999 ? >GLY^C 127 105.17 12.68 46.92 105.79 12.73 46.45 105.48 12.71 46.68 1 0 1000.00 -999 ? >PHE^C 128 103.06 9.60 41.97 102.40 9.20 39.29 102.73 9.40 40.63 3 0 1000.00 -999 ? >ALA^C 129 103.28 13.68 40.91 104.10 14.95 41.01 103.69 14.32 40.96 2 0 1000.00 -999 ? >PHE^C 130 99.80 11.83 37.19 98.30 9.53 37.79 99.05 10.68 37.49 3 0 1000.00 -999 ? >SER^C 131 104.28 15.88 36.40 104.60 17.18 38.42 104.44 16.53 37.41 2 0 1000.00 -999 ? >SER^C 132 107.09 13.42 37.15 108.11 14.78 38.92 107.60 14.10 38.04 2 0 1000.00 -999 ? >PHE^C 133 103.46 8.84 35.45 102.39 6.33 34.80 102.93 7.59 35.13 3 0 1000.00 -999 ? >VAL^C 134 106.63 8.97 32.17 108.32 9.97 31.19 107.47 9.47 31.68 3 0 1000.00 -999 ? >MET?C 135 105.37 5.97 30.27 101.23 5.43 30.86 103.30 5.70 30.57 2 0 1000.00 -999 ? >ALA^C 136 107.06 4.00 27.54 107.71 2.65 27.76 107.38 3.33 27.65 2 0 1000.00 -999 ? >GLU^C 137 107.39 5.15 22.95 109.06 4.44 24.06 108.23 4.80 23.50 2 0 1000.00 -999 ? >PRO^C 138 102.15 1.76 22.25 103.77 1.24 23.68 102.96 1.50 22.96 3 0 1000.00 -999 ? >GLY^C 139 105.64 -2.40 22.47 105.93 -1.83 22.98 105.78 -2.12 22.73 1 0 1000.00 -999 ? >TRP^C 140 111.36 0.95 24.11 112.32 0.85 27.93 111.84 0.90 26.02 3 0 1000.00 -999 ? >SER^C 141 111.32 -3.08 26.17 109.83 -4.94 25.69 110.58 -4.01 25.93 2 0 1000.00 -999 ? >PRO^C 142 115.54 -4.45 26.89 113.56 -3.60 27.45 114.55 -4.02 27.17 3 0 1000.00 -999 ? >MET?D 5 73.71 0.35 130.93 71.13 1.51 132.95 72.42 0.93 131.94 2 0 1000.00 -999 ? >SER^D 6 73.08 -0.15 127.22 72.87 -2.55 126.98 72.97 -1.35 127.10 2 0 1000.00 -999 ? >ALA^D 7 70.04 0.95 125.25 70.07 1.57 123.86 70.06 1.26 124.55 2 0 1000.00 -999 ? >GLN^D 8 70.59 -3.37 122.67 72.49 -2.39 122.83 71.54 -2.88 122.75 2 0 1000.00 -999 ? >ALA^D 9 69.17 -3.66 128.34 70.40 -3.68 129.22 69.78 -3.67 128.78 2 0 1000.00 -999 ? >ILE^D 10 67.53 0.89 128.78 67.92 2.22 129.10 67.72 1.56 128.94 3 0 1000.00 -999 ? >ILE^D 11 64.74 -1.60 125.07 64.49 -1.27 123.67 64.61 -1.44 124.37 3 0 1000.00 -999 ? >ARG^D 12 64.95 -7.56 126.04 63.23 -6.72 123.64 64.09 -7.14 124.84 2 0 1000.00 -999 ? >GLU^D 13 65.16 -3.13 133.82 65.14 -4.96 134.88 65.15 -4.04 134.35 2 0 1000.00 -999 ? >LEU^D 14 61.88 0.10 130.99 63.00 1.36 132.35 62.44 0.73 131.67 3 0 1000.00 -999 ? >GLY^D 15 59.40 -3.24 128.71 59.76 -2.53 128.60 59.58 -2.89 128.65 1 0 1000.00 -999 ? >LEU^D 16 61.04 0.44 126.02 61.58 1.57 127.77 61.31 1.00 126.89 3 0 1000.00 -999 ? >GLU^D 17 56.39 -2.09 123.65 56.84 -4.08 123.07 56.62 -3.08 123.36 2 0 1000.00 -999 ? >PRO^D 18 58.44 -0.56 118.27 58.78 0.83 119.97 58.61 0.13 119.12 3 0 1000.00 -999 ? >HIS^D 19 56.60 6.97 120.66 55.23 8.55 120.83 55.91 7.76 120.75 3 0 1000.00 -999 ? >PRO^D 20 53.56 5.80 117.31 55.73 6.08 116.97 54.65 5.94 117.14 3 0 1000.00 -999 ? >GLU^D 21 58.11 10.21 118.85 57.60 11.68 120.28 57.86 10.94 119.56 2 0 1000.00 -999 ? >GLY^D 22 60.86 7.25 116.72 60.34 7.35 117.43 60.60 7.30 117.08 1 0 1000.00 -999 ? >GLY^D 23 62.65 5.88 119.76 62.00 5.53 119.38 62.32 5.70 119.57 1 0 1000.00 -999 ? >PHE^D 24 62.71 1.61 121.61 64.12 0.41 119.52 63.42 1.01 120.56 3 0 1000.00 -999 ? >TYR^D 25 56.46 5.00 124.20 53.87 4.46 123.30 55.16 4.73 123.75 3 0 1000.00 -999 ? >HIS^D 26 56.02 0.99 129.46 54.62 -0.10 130.59 55.32 0.44 130.02 3 0 1000.00 -999 ? >GLN^D 27 51.05 5.59 129.49 49.14 5.96 128.62 50.10 5.78 129.05 2 0 1000.00 -999 ? >THR^D 28 53.69 4.01 133.01 55.58 4.94 133.42 54.63 4.48 133.21 2 0 1000.00 -999 ? >PHE^D 29 50.25 7.53 136.16 48.45 9.02 137.70 49.35 8.27 136.93 3 0 1000.00 -999 ? >ARG^D 30 44.63 6.92 130.42 45.94 8.21 127.96 45.28 7.56 129.19 2 0 1000.00 -999 ? >ASP^D 31 45.46 10.61 136.32 44.89 11.17 138.26 45.17 10.89 137.29 2 0 1000.00 -999 ? >LYS^D 32 42.15 7.24 136.55 40.29 4.66 135.12 41.22 5.95 135.83 2 0 1000.00 -999 ? >ALA^D 33 40.70 10.55 137.76 41.03 11.03 139.16 40.87 10.79 138.46 2 0 1000.00 -999 ? >GLY^D 34 39.68 13.58 135.72 39.60 12.86 135.43 39.64 13.22 135.57 1 0 1000.00 -999 ? >GLY^D 35 38.08 12.48 132.47 38.47 11.95 132.94 38.28 12.22 132.70 1 0 1000.00 -999 ? >GLU^D 36 37.88 7.66 128.56 36.74 6.40 129.83 37.31 7.03 129.20 2 0 1000.00 -999 ? >ARG^D 37 43.98 13.55 127.35 43.90 16.08 125.64 43.94 14.82 126.49 2 0 1000.00 -999 ? >GLY^D 38 42.80 11.32 132.78 42.77 11.96 132.26 42.79 11.64 132.52 1 0 1000.00 -999 ? >HIS^D 39 43.18 14.81 136.85 41.45 15.16 137.98 42.32 14.99 137.41 3 0 1000.00 -999 ? >SER^D 40 47.63 13.26 133.21 49.09 12.99 135.06 48.36 13.13 134.13 2 0 1000.00 -999 ? >THR^D 41 49.88 10.49 131.87 49.13 10.50 129.83 49.50 10.49 130.85 2 0 1000.00 -999 ? >ALA^D 42 53.46 9.41 132.52 53.75 8.98 133.97 53.60 9.19 133.24 2 0 1000.00 -999 ? >ILE^D 43 55.53 8.28 128.78 55.03 8.19 127.68 55.28 8.24 128.23 3 0 1000.00 -999 ? >TYR^D 44 60.10 4.78 131.87 60.36 4.33 134.62 60.23 4.56 133.24 3 0 1000.00 -999 ? >TYR^D 45 60.81 9.08 124.67 60.92 9.58 121.93 60.87 9.33 123.30 3 0 1000.00 -999 ? >LEU^D 46 64.69 4.79 125.43 66.44 3.62 125.04 65.57 4.21 125.23 3 0 1000.00 -999 ? >LEU^D 47 66.41 9.12 121.98 64.92 10.20 120.84 65.67 9.66 121.41 3 0 1000.00 -999 ? >GLU^D 48 68.26 3.19 120.71 68.53 1.26 119.86 68.40 2.23 120.29 2 0 1000.00 -999 ? >LYS^D 49 72.32 6.92 118.97 76.48 6.10 120.33 74.40 6.51 119.65 2 0 1000.00 -999 ? >GLY^D 50 71.35 8.58 115.72 70.85 8.65 116.33 71.10 8.62 116.02 1 0 1000.00 -999 ? >VAL^D 51 67.58 8.32 115.68 66.19 7.08 116.78 66.89 7.70 116.23 3 0 1000.00 -999 ? >ARG^D 52 65.29 12.89 113.22 63.84 12.14 110.61 64.56 12.51 111.92 2 0 1000.00 -999 ? >SER^D 53 62.15 11.95 116.89 61.96 13.70 118.55 62.05 12.83 117.72 2 0 1000.00 -999 ? >HIS^D 54 59.64 11.04 112.72 60.10 9.07 112.19 59.87 10.06 112.45 3 0 1000.00 -999 ? >TRP^D 55 61.07 18.29 112.41 61.72 21.00 115.18 61.40 19.64 113.79 3 0 1000.00 -999 ? >HIS^D 56 55.99 14.86 117.87 57.21 14.55 119.55 56.60 14.71 118.71 3 0 1000.00 -999 ? >ARG^D 57 51.60 20.90 116.29 48.95 20.56 114.76 50.28 20.73 115.52 2 0 1000.00 -999 ? >VAL^D 58 50.46 17.55 121.27 50.83 16.51 123.13 50.64 17.03 122.20 3 0 1000.00 -999 ? >THR^D 59 47.62 19.73 119.98 46.34 18.43 118.81 46.98 19.08 119.40 2 0 1000.00 -999 ? >ASP^D 60 44.49 19.80 123.36 44.31 17.69 123.37 44.40 18.75 123.36 2 0 1000.00 -999 ? >ALA^D 61 48.42 19.56 126.16 48.24 18.10 126.54 48.33 18.83 126.35 2 0 1000.00 -999 ? >VAL^D 62 51.66 20.70 127.78 52.10 22.37 129.11 51.88 21.53 128.45 3 0 1000.00 -999 ? >GLU^D 63 55.65 16.15 126.64 55.81 14.92 124.93 55.73 15.53 125.79 2 0 1000.00 -999 ? >VAL^D 64 57.17 18.10 130.34 56.90 19.01 132.29 57.03 18.55 131.31 3 0 1000.00 -999 ? >TRP^D 65 59.58 17.11 126.53 61.34 14.35 124.35 60.46 15.73 125.44 3 0 1000.00 -999 ? >HIS^D 66 60.47 15.04 133.87 58.56 15.86 134.16 59.52 15.45 134.02 3 0 1000.00 -999 ? >TYR^D 67 68.69 13.79 132.01 70.98 12.22 132.30 69.83 13.00 132.15 3 0 1000.00 -999 ? >TYR^D 68 64.46 9.64 133.94 61.76 10.19 134.40 63.11 9.92 134.17 3 0 1000.00 -999 ? >ALA^D 69 70.03 8.83 132.38 70.00 7.37 132.85 70.01 8.10 132.61 2 0 1000.00 -999 ? >GLY^D 70 72.46 8.51 129.50 72.42 9.18 129.99 72.44 8.85 129.74 1 0 1000.00 -999 ? >ALA^D 71 73.96 11.33 127.47 74.58 11.16 126.08 74.27 11.25 126.77 2 0 1000.00 -999 ? >PRO^D 72 74.36 15.54 128.06 72.73 14.22 127.33 73.55 14.88 127.69 3 0 1000.00 -999 ? >ILE^D 73 68.07 14.92 125.12 66.80 14.32 124.76 67.44 14.62 124.94 3 0 1000.00 -999 ? >ALA^D 74 68.99 18.16 122.13 69.83 18.22 120.86 69.41 18.19 121.50 2 0 1000.00 -999 ? >LEU^D 75 64.63 19.17 123.71 62.59 18.69 124.18 63.61 18.93 123.94 3 0 1000.00 -999 ? >HIS^D 76 65.92 20.30 117.86 67.90 19.61 117.78 66.91 19.95 117.82 3 0 1000.00 -999 ? >LEU^D 77 60.81 24.02 121.22 60.50 22.89 123.03 60.65 23.46 122.13 3 0 1000.00 -999 ? >SER^D 78 59.04 25.71 117.57 59.05 26.26 115.20 59.05 25.98 116.39 2 0 1000.00 -999 ? >GLN^D 79 54.30 28.89 120.06 53.00 27.35 120.74 53.65 28.12 120.40 2 0 1000.00 -999 ? >ASP^D 80 55.10 30.39 115.21 57.15 30.90 115.08 56.12 30.65 115.14 2 0 1000.00 -999 ? >GLY^D 81 56.73 26.39 113.29 56.89 27.22 113.37 56.81 26.81 113.33 1 0 1000.00 -999 ? >ARG^D 82 57.97 32.99 110.78 57.89 35.24 108.69 57.93 34.12 109.73 2 0 1000.00 -999 ? >GLU^D 83 63.05 31.48 115.75 64.34 32.12 114.19 63.69 31.80 114.97 2 0 1000.00 -999 ? >VAL^D 84 63.32 27.13 116.49 64.60 25.57 115.66 63.96 26.35 116.08 3 0 1000.00 -999 ? >GLN^D 85 63.46 29.02 120.65 61.44 28.43 120.26 62.45 28.73 120.45 2 0 1000.00 -999 ? >THR^D 86 67.17 24.28 121.20 68.32 22.98 119.95 67.75 23.63 120.57 2 0 1000.00 -999 ? >PHE^D 87 65.16 24.53 125.63 63.55 26.84 125.50 64.35 25.69 125.57 3 0 1000.00 -999 ? >THR^D 88 69.83 20.88 126.15 71.95 20.85 125.77 70.89 20.86 125.96 2 0 1000.00 -999 ? >LEU^D 89 66.80 17.56 127.90 65.16 16.74 129.01 65.98 17.15 128.45 3 0 1000.00 -999 ? >GLY^D 90 70.64 17.18 130.77 70.19 17.70 131.20 70.41 17.44 130.99 1 0 1000.00 -999 ? >PRO^D 91 73.17 15.05 133.63 71.87 16.84 133.65 72.52 15.95 133.64 3 0 1000.00 -999 ? >ALA^D 92 74.90 19.44 134.12 75.92 19.50 132.98 75.41 19.47 133.55 2 0 1000.00 -999 ? >ILE^D 93 72.33 22.15 137.23 71.04 21.69 136.79 71.68 21.92 137.01 3 0 1000.00 -999 ? >LEU^D 94 77.30 23.55 137.77 76.88 23.55 139.89 77.09 23.55 138.83 3 0 1000.00 -999 ? >GLU^D 95 79.38 22.71 133.20 79.30 21.73 135.08 79.34 22.22 134.14 2 0 1000.00 -999 ? >GLY^D 96 73.99 25.32 131.37 73.90 24.66 131.77 73.95 24.99 131.57 1 0 1000.00 -999 ? >GLU^D 97 73.48 20.33 129.76 74.53 18.51 129.93 74.01 19.42 129.85 2 0 1000.00 -999 ? >ARG^D 98 68.24 23.92 134.30 70.51 25.91 134.90 69.37 24.91 134.60 2 0 1000.00 -999 ? >PRO^D 99 67.32 18.74 135.59 67.29 18.76 133.37 67.31 18.75 134.48 3 0 1000.00 -999 ? >GLN^D 100 61.34 20.02 134.29 60.47 20.58 136.16 60.90 20.30 135.22 2 0 1000.00 -999 ? >VAL^D 101 61.84 21.53 130.15 62.56 20.99 128.15 62.20 21.26 129.15 3 0 1000.00 -999 ? >ILE^D 102 57.47 23.59 130.48 57.43 23.54 131.32 57.45 23.57 130.90 3 0 1000.00 -999 ? >VAL^D 103 56.92 22.14 126.12 57.59 20.73 124.61 57.26 21.44 125.36 3 0 1000.00 -999 ? >PRO^D 104 55.24 25.74 124.45 54.49 24.07 125.72 54.86 24.91 125.08 3 0 1000.00 -999 ? >ALA^D 105 50.70 22.82 124.08 49.27 22.96 124.61 49.98 22.89 124.35 2 0 1000.00 -999 ? >ASN^D 106 49.41 23.50 119.89 49.02 23.54 117.80 49.21 23.52 118.84 2 0 1000.00 -999 ? >CYH^D 107 54.21 23.51 120.14 56.73 24.35 120.91 55.47 23.93 120.52 2 0 1000.00 -999 ? >TRP^D 108 55.20 23.56 114.68 53.71 20.20 113.29 54.45 21.88 113.99 3 0 1000.00 -999 ? >GLN^D 109 57.46 18.08 120.57 57.09 17.39 122.55 57.27 17.73 121.56 2 0 1000.00 -999 ? >SER^D 110 61.72 16.99 117.92 63.19 18.16 116.41 62.45 17.57 117.17 2 0 1000.00 -999 ? >ALA^D 111 64.69 15.60 119.81 64.24 15.32 121.23 64.46 15.46 120.52 2 0 1000.00 -999 ? >GLU^D 112 69.38 15.01 118.13 69.73 15.69 116.14 69.56 15.35 117.13 2 0 1000.00 -999 ? >SER^D 113 70.26 12.03 122.09 71.40 10.26 123.27 70.83 11.15 122.68 2 0 1000.00 -999 ? >LEU^D 114 74.25 14.64 122.72 73.19 16.51 122.63 73.72 15.57 122.67 3 0 1000.00 -999 ? >GLY^D 115 75.33 9.99 122.75 74.59 9.86 122.41 74.96 9.92 122.58 1 0 1000.00 -999 ? >ASP^D 116 75.46 5.26 123.65 77.54 5.31 123.31 76.50 5.28 123.48 2 0 1000.00 -999 ? >PHE^D 117 71.42 5.07 126.32 72.55 4.55 128.83 71.99 4.81 127.58 3 0 1000.00 -999 ? >THR^D 118 69.21 9.00 126.67 69.59 11.09 126.42 69.40 10.04 126.54 2 0 1000.00 -999 ? >LEU^D 119 66.66 6.70 130.04 64.95 5.83 131.05 65.80 6.27 130.55 3 0 1000.00 -999 ? >VAL^D 120 63.86 10.43 129.77 63.98 11.49 127.90 63.92 10.96 128.84 3 0 1000.00 -999 ? >GLY^D 121 60.38 10.98 131.08 60.64 11.61 130.56 60.51 11.30 130.82 1 0 1000.00 -999 ? >CYH^D 122 57.37 12.78 129.66 58.73 12.65 127.18 58.05 12.72 128.42 2 0 1000.00 -999 ? >THR^D 123 54.29 13.88 131.63 55.17 14.40 133.56 54.73 14.14 132.60 2 0 1000.00 -999 ? >VAL^D 124 51.39 15.23 129.61 50.92 14.52 127.61 51.15 14.88 128.61 3 0 1000.00 -999 ? >SER^D 125 49.63 17.92 131.65 49.67 20.22 132.47 49.65 19.07 132.06 2 0 1000.00 -999 ? >PRO^D 126 46.00 18.76 129.11 46.69 17.47 130.75 46.35 18.11 129.93 3 0 1000.00 -999 ? >GLY^D 127 46.40 13.54 129.92 46.74 14.21 129.53 46.57 13.88 129.73 1 0 1000.00 -999 ? >PHE^D 128 49.91 11.68 125.28 50.97 11.33 122.71 50.44 11.51 124.00 3 0 1000.00 -999 ? >ALA^D 129 45.96 10.75 123.74 44.49 11.09 123.84 45.22 10.92 123.79 2 0 1000.00 -999 ? >PHE^D 130 48.66 7.85 120.02 51.25 6.92 120.57 49.96 7.38 120.30 3 0 1000.00 -999 ? >SER^D 131 43.76 11.25 118.96 42.36 11.70 120.88 43.06 11.48 119.92 2 0 1000.00 -999 ? >SER^D 132 45.34 14.65 119.60 45.40 14.85 122.04 45.37 14.75 120.82 2 0 1000.00 -999 ? >PHE^D 133 50.68 12.00 118.32 53.28 11.41 117.47 51.98 11.70 117.90 3 0 1000.00 -999 ? >VAL^D 134 50.05 15.05 115.03 48.70 16.32 113.88 49.38 15.69 114.45 3 0 1000.00 -999 ? >MET?D 135 53.46 14.70 113.40 54.53 10.55 113.49 53.99 12.62 113.45 2 0 1000.00 -999 ? >ALA^D 136 54.74 16.76 110.49 55.72 17.92 110.65 55.23 17.34 110.57 2 0 1000.00 -999 ? >GLU^D 137 54.57 15.36 104.54 52.84 14.19 104.94 53.71 14.78 104.74 2 0 1000.00 -999 ? >PRO^D 138 57.71 12.07 105.85 58.14 13.98 106.88 57.92 13.03 106.36 3 0 1000.00 -999 ? >GLY^D 139 61.31 16.34 105.39 60.84 16.65 106.03 61.07 16.50 105.71 1 0 1000.00 -999 ? >TRP^D 140 57.27 21.93 107.04 57.40 22.15 110.97 57.34 22.04 109.00 3 0 1000.00 -999 ? >SER^D 141 61.43 21.79 109.07 63.42 20.82 108.04 62.42 21.30 108.55 2 0 1000.00 -999 ? >PRO^D 142 60.40 23.48 112.94 60.49 24.18 110.83 60.45 23.83 111.89 3 0 1000.00 -999 ? >MET?E 5 23.97 -5.90 109.40 22.14 -2.75 111.62 23.06 -4.32 110.51 2 0 1000.00 -999 ? >SER^E 6 23.05 -5.03 105.79 21.88 -6.97 104.93 22.47 -6.00 105.36 2 0 1000.00 -999 ? >ALA^E 7 20.76 -2.81 103.70 21.11 -2.27 102.33 20.94 -2.54 103.02 2 0 1000.00 -999 ? >GLN^E 8 19.05 -6.69 100.71 21.03 -5.88 100.56 20.04 -6.29 100.63 2 0 1000.00 -999 ? >ALA^E 9 18.12 -6.70 106.54 19.33 -7.10 107.37 18.72 -6.90 106.95 2 0 1000.00 -999 ? >ILE^E 10 18.25 -1.93 107.43 19.12 -0.97 107.80 18.69 -1.45 107.62 3 0 1000.00 -999 ? >ILE^E 11 14.86 -2.99 103.46 14.89 -2.54 102.09 14.88 -2.77 102.78 3 0 1000.00 -999 ? >ARG^E 12 13.30 -9.77 106.67 11.66 -10.86 104.32 12.48 -10.32 105.49 2 0 1000.00 -999 ? >GLU^E 13 14.53 -5.25 112.44 14.07 -7.16 113.25 14.30 -6.21 112.85 2 0 1000.00 -999 ? >LEU^E 14 12.89 -0.56 109.82 14.20 0.28 111.29 13.55 -0.14 110.56 3 0 1000.00 -999 ? >GLY^E 15 9.60 -2.39 107.09 10.17 -1.80 107.14 9.88 -2.09 107.11 1 0 1000.00 -999 ? >LEU^E 16 12.38 0.74 104.69 13.55 1.51 106.34 12.97 1.13 105.52 3 0 1000.00 -999 ? >GLU^E 17 6.95 0.06 102.21 4.88 0.49 102.40 5.91 0.27 102.31 2 0 1000.00 -999 ? >PRO^E 18 9.99 0.87 97.19 10.17 2.37 98.81 10.08 1.62 98.00 3 0 1000.00 -999 ? >HIS^E 19 10.88 8.74 100.06 10.23 10.72 100.33 10.56 9.73 100.19 3 0 1000.00 -999 ? >PRO^E 20 7.44 9.09 96.76 9.51 8.40 96.33 8.48 8.75 96.54 3 0 1000.00 -999 ? >GLU^E 21 13.58 11.03 98.25 13.37 12.43 99.84 13.47 11.73 99.05 2 0 1000.00 -999 ? >GLY^E 22 14.81 7.31 95.95 14.37 7.53 96.68 14.59 7.42 96.31 1 0 1000.00 -999 ? >GLY^E 23 15.87 5.06 98.79 15.14 5.03 98.41 15.51 5.05 98.60 1 0 1000.00 -999 ? >PHE^E 24 14.20 1.07 100.28 14.72 -0.37 97.94 14.46 0.35 99.11 3 0 1000.00 -999 ? >TYR^E 25 9.97 6.51 103.47 7.37 7.09 102.63 8.67 6.80 103.05 3 0 1000.00 -999 ? >HIS^E 26 7.93 2.77 108.39 6.20 2.18 109.42 7.07 2.47 108.91 3 0 1000.00 -999 ? >GLN^E 27 5.08 8.99 109.03 3.62 10.33 108.22 4.35 9.66 108.63 2 0 1000.00 -999 ? >THR^E 28 7.34 6.65 112.19 9.15 5.89 113.09 8.25 6.27 112.64 2 0 1000.00 -999 ? >PHE^E 29 5.60 11.07 115.57 4.37 12.87 117.33 4.98 11.97 116.45 3 0 1000.00 -999 ? >ARG^E 30 0.34 12.81 109.77 2.05 13.64 107.34 1.20 13.23 108.56 2 0 1000.00 -999 ? >ASP^E 31 2.69 15.98 115.98 2.29 16.68 117.95 2.49 16.33 116.96 2 0 1000.00 -999 ? >LYS^E 32 -1.71 14.54 116.47 -0.89 9.71 114.79 -1.30 12.12 115.63 2 0 1000.00 -999 ? >ALA^E 33 -1.31 18.17 117.54 -0.68 18.52 118.89 -0.99 18.34 118.22 2 0 1000.00 -999 ? >GLY^E 34 -0.70 21.12 115.24 -1.29 20.63 115.06 -1.00 20.88 115.15 1 0 1000.00 -999 ? >GLY^E 35 -3.39 20.85 112.58 -3.06 20.18 112.97 -3.23 20.52 112.77 1 0 1000.00 -999 ? >GLU^E 36 -5.25 16.34 108.74 -4.98 14.90 110.28 -5.11 15.62 109.51 2 0 1000.00 -999 ? >ARG^E 37 0.88 21.36 107.52 3.18 21.68 105.50 2.03 21.52 106.51 2 0 1000.00 -999 ? >GLY^E 38 0.77 18.01 112.36 0.98 18.60 111.87 0.87 18.31 112.12 1 0 1000.00 -999 ? >HIS^E 39 2.82 21.03 116.41 1.66 22.43 117.46 2.24 21.73 116.94 3 0 1000.00 -999 ? >SER^E 40 6.01 17.43 112.86 7.01 16.36 114.76 6.51 16.90 113.81 2 0 1000.00 -999 ? >THR^E 41 6.67 14.01 111.36 5.72 14.42 109.46 6.19 14.21 110.41 2 0 1000.00 -999 ? >ALA^E 42 9.31 11.31 111.94 9.39 10.64 113.31 9.35 10.98 112.63 2 0 1000.00 -999 ? >ILE^E 43 10.61 9.74 108.01 10.30 9.90 106.70 10.46 9.82 107.35 3 0 1000.00 -999 ? >TYR^E 44 13.30 4.51 110.86 13.43 3.91 113.60 13.36 4.21 112.23 3 0 1000.00 -999 ? >TYR^E 45 15.63 8.45 103.74 16.07 8.96 101.02 15.85 8.71 102.38 3 0 1000.00 -999 ? >LEU^E 46 17.51 3.11 104.30 18.63 1.33 103.83 18.07 2.22 104.06 3 0 1000.00 -999 ? >LEU^E 47 20.66 6.47 100.70 19.85 8.29 99.90 20.26 7.38 100.30 3 0 1000.00 -999 ? >GLU^E 48 19.91 0.24 99.20 18.93 -1.12 97.90 19.42 -0.44 98.55 2 0 1000.00 -999 ? >LYS^E 49 25.05 2.19 97.58 30.58 -0.65 96.65 27.82 0.77 97.12 2 0 1000.00 -999 ? >GLY^E 50 25.40 4.29 94.46 24.82 4.36 94.93 25.11 4.33 94.70 1 0 1000.00 -999 ? >VAL^E 51 21.86 5.64 94.54 19.98 5.00 95.44 20.92 5.32 94.99 3 0 1000.00 -999 ? >ARG^E 52 22.42 8.87 91.65 23.56 9.51 88.86 22.99 9.19 90.25 2 0 1000.00 -999 ? >SER^E 53 18.15 10.82 95.72 18.53 12.14 97.73 18.34 11.48 96.72 2 0 1000.00 -999 ? >HIS^E 54 14.95 11.79 91.83 14.53 10.00 90.82 14.74 10.90 91.32 3 0 1000.00 -999 ? >TRP^E 55 19.75 17.53 91.74 21.48 19.48 94.69 20.61 18.51 93.22 3 0 1000.00 -999 ? >HIS^E 56 13.73 16.21 97.42 14.73 15.43 99.08 14.23 15.82 98.25 3 0 1000.00 -999 ? >ARG^E 57 12.71 23.79 96.06 10.32 24.65 94.33 11.51 24.22 95.20 2 0 1000.00 -999 ? >VAL^E 58 10.14 20.60 101.00 9.93 19.47 102.83 10.03 20.03 101.92 3 0 1000.00 -999 ? >THR^E 59 8.73 24.03 100.22 7.24 23.69 98.68 7.99 23.86 99.45 2 0 1000.00 -999 ? >ASP^E 60 5.68 25.27 103.40 4.64 23.44 103.53 5.16 24.35 103.47 2 0 1000.00 -999 ? >ALA^E 61 8.92 23.08 106.22 8.16 21.78 106.45 8.54 22.43 106.34 2 0 1000.00 -999 ? >VAL^E 62 12.35 22.62 107.75 13.46 24.03 109.02 12.91 23.33 108.39 3 0 1000.00 -999 ? >GLU^E 63 14.10 16.85 106.13 13.71 15.75 104.34 13.90 16.30 105.24 2 0 1000.00 -999 ? >VAL^E 64 16.31 17.79 109.84 16.54 18.61 111.86 16.42 18.20 110.85 3 0 1000.00 -999 ? >TRP^E 65 17.99 16.13 106.08 18.44 13.16 103.54 18.21 14.64 104.81 3 0 1000.00 -999 ? >HIS^E 66 17.93 13.31 113.13 16.53 14.84 113.42 17.23 14.08 113.28 3 0 1000.00 -999 ? >TYR^E 67 24.93 8.91 111.14 26.47 6.57 111.21 25.70 7.74 111.18 3 0 1000.00 -999 ? >TYR^E 68 19.26 6.78 112.79 17.07 8.39 113.46 18.17 7.59 113.12 3 0 1000.00 -999 ? >ALA^E 69 24.04 3.83 111.04 23.44 2.49 111.42 23.74 3.16 111.23 2 0 1000.00 -999 ? >GLY^E 70 26.22 2.84 108.11 26.43 3.46 108.62 26.33 3.15 108.37 1 0 1000.00 -999 ? >ALA^E 71 28.67 4.95 106.17 29.09 4.69 104.73 28.88 4.82 105.45 2 0 1000.00 -999 ? >PRO^E 72 30.57 8.90 105.99 28.52 8.05 106.25 29.55 8.47 106.12 3 0 1000.00 -999 ? >ILE^E 73 24.53 10.73 104.11 23.12 10.77 103.67 23.82 10.75 103.89 3 0 1000.00 -999 ? >ALA^E 74 27.00 13.42 101.46 27.85 13.16 100.23 27.43 13.29 100.84 2 0 1000.00 -999 ? >LEU^E 75 23.47 16.23 103.05 21.35 16.44 103.44 22.41 16.33 103.25 3 0 1000.00 -999 ? >HIS^E 76 25.10 16.86 97.14 26.32 15.18 96.81 25.71 16.02 96.97 3 0 1000.00 -999 ? >LEU^E 77 21.97 22.00 100.98 21.24 20.73 102.56 21.60 21.36 101.77 3 0 1000.00 -999 ? >SER^E 78 21.13 24.70 97.49 21.30 25.56 95.24 21.22 25.13 96.36 2 0 1000.00 -999 ? >GLN^E 79 17.86 29.15 100.33 16.52 27.78 101.28 17.19 28.46 100.81 2 0 1000.00 -999 ? >ASP^E 80 19.58 30.52 95.22 18.84 32.19 96.27 19.21 31.35 95.75 2 0 1000.00 -999 ? >GLY^E 81 19.44 26.43 93.03 19.97 27.07 93.15 19.70 26.75 93.09 1 0 1000.00 -999 ? >ARG^E 82 22.93 31.69 90.04 25.75 32.80 89.47 24.34 32.25 89.75 2 0 1000.00 -999 ? >GLU^E 83 26.19 29.74 94.52 24.54 31.05 94.26 25.36 30.39 94.39 2 0 1000.00 -999 ? >VAL^E 84 25.63 23.94 95.89 26.27 22.04 95.06 25.95 22.99 95.48 3 0 1000.00 -999 ? >GLN^E 85 27.14 25.70 100.18 26.78 26.94 101.87 26.96 26.32 101.03 2 0 1000.00 -999 ? >THR^E 86 27.88 19.78 100.44 28.37 18.13 99.12 28.12 18.95 99.78 2 0 1000.00 -999 ? >PHE^E 87 26.30 20.52 104.84 25.83 23.28 104.76 26.06 21.90 104.80 3 0 1000.00 -999 ? >THR^E 88 28.72 15.22 105.46 30.57 14.18 105.27 29.64 14.70 105.37 2 0 1000.00 -999 ? >LEU^E 89 24.70 13.34 107.16 22.83 13.19 108.19 23.76 13.27 107.68 3 0 1000.00 -999 ? >GLY^E 90 28.07 11.36 109.99 27.91 12.02 110.43 27.99 11.69 110.21 1 0 1000.00 -999 ? >PRO^E 91 29.54 8.35 112.81 29.12 10.53 112.82 29.33 9.44 112.82 3 0 1000.00 -999 ? >ALA^E 92 32.93 11.57 112.96 33.71 11.31 111.69 33.32 11.44 112.32 2 0 1000.00 -999 ? >ILE^E 93 32.00 14.81 116.44 31.18 14.84 116.52 31.59 14.82 116.48 3 0 1000.00 -999 ? >LEU^E 94 37.06 14.68 116.12 37.30 15.21 118.19 37.18 14.94 117.15 3 0 1000.00 -999 ? >GLU^E 95 37.82 12.98 110.59 38.83 12.72 112.42 38.32 12.85 111.50 2 0 1000.00 -999 ? >GLY^E 96 34.10 17.70 110.14 33.77 17.00 110.44 33.94 17.35 110.29 1 0 1000.00 -999 ? >GLU^E 97 32.17 13.22 109.24 31.84 11.16 108.92 32.01 12.19 109.08 2 0 1000.00 -999 ? >ARG^E 98 28.68 18.69 113.41 31.57 19.51 114.04 30.13 19.10 113.73 2 0 1000.00 -999 ? >PRO^E 99 25.75 13.99 114.86 25.65 14.17 112.65 25.70 14.08 113.76 3 0 1000.00 -999 ? >GLN^E 100 20.78 17.65 113.94 20.37 18.51 115.83 20.58 18.08 114.88 2 0 1000.00 -999 ? >VAL^E 101 22.12 18.74 109.50 22.42 18.24 107.40 22.27 18.49 108.45 3 0 1000.00 -999 ? >ILE^E 102 19.01 22.24 110.32 18.52 22.67 111.54 18.77 22.46 110.93 3 0 1000.00 -999 ? >VAL^E 103 17.77 21.92 105.78 17.72 20.55 104.10 17.75 21.24 104.94 3 0 1000.00 -999 ? >PRO^E 104 17.79 26.17 104.76 16.37 24.71 105.65 17.08 25.44 105.21 3 0 1000.00 -999 ? >ALA^E 105 12.42 25.61 104.13 11.29 26.46 104.71 11.85 26.04 104.42 2 0 1000.00 -999 ? >ASN^E 106 11.99 27.02 99.96 11.34 27.13 97.94 11.67 27.07 98.95 2 0 1000.00 -999 ? >CYH^E 107 16.07 24.58 100.07 18.72 24.24 100.79 17.40 24.41 100.43 2 0 1000.00 -999 ? >TRP^E 108 16.67 24.29 94.65 14.13 21.84 92.92 15.40 23.07 93.79 3 0 1000.00 -999 ? >GLN^E 109 16.37 18.45 100.24 15.58 17.98 102.18 15.98 18.21 101.21 2 0 1000.00 -999 ? >SER^E 110 19.98 15.69 97.53 20.81 14.79 95.46 20.40 15.24 96.49 2 0 1000.00 -999 ? >ALA^E 111 21.93 12.88 99.11 21.43 12.72 100.54 21.68 12.80 99.82 2 0 1000.00 -999 ? >GLU^E 112 25.72 10.98 97.28 26.54 11.27 95.35 26.13 11.12 96.32 2 0 1000.00 -999 ? >SER^E 113 25.65 7.24 100.90 26.01 5.19 102.12 25.83 6.22 101.51 2 0 1000.00 -999 ? >LEU^E 114 30.26 8.38 101.64 30.44 10.50 101.25 30.35 9.44 101.44 3 0 1000.00 -999 ? >GLY^E 115 29.34 3.71 101.47 28.64 3.94 101.12 28.99 3.83 101.29 1 0 1000.00 -999 ? >ASP^E 116 27.58 -0.82 101.50 29.24 -1.71 100.50 28.41 -1.27 101.00 2 0 1000.00 -999 ? >PHE^E 117 23.72 0.29 104.63 24.36 -0.69 107.18 24.04 -0.20 105.90 3 0 1000.00 -999 ? >THR^E 118 23.24 4.71 105.32 24.36 6.56 105.35 23.80 5.63 105.34 2 0 1000.00 -999 ? >LEU^E 119 20.08 3.49 108.68 18.20 3.53 109.76 19.14 3.51 109.22 3 0 1000.00 -999 ? >VAL^E 120 19.22 8.12 108.79 19.73 9.30 107.00 19.48 8.71 107.89 3 0 1000.00 -999 ? >GLY^E 121 16.20 9.78 110.33 16.72 10.30 109.84 16.46 10.04 110.09 1 0 1000.00 -999 ? >CYH^E 122 14.22 12.77 109.11 15.28 12.12 106.58 14.75 12.44 107.84 2 0 1000.00 -999 ? >THR^E 123 12.03 15.11 111.13 13.21 15.26 112.93 12.62 15.19 112.03 2 0 1000.00 -999 ? >VAL^E 124 10.02 17.77 109.32 9.66 17.53 107.22 9.84 17.65 108.27 3 0 1000.00 -999 ? >SER^E 125 8.05 20.61 110.48 8.45 20.03 112.68 8.25 20.32 111.58 2 0 1000.00 -999 ? >PRO^E 126 5.22 23.66 108.63 5.88 21.82 109.76 5.55 22.74 109.19 3 0 1000.00 -999 ? >GLY^E 127 4.74 17.74 109.18 4.72 18.35 108.68 4.73 18.05 108.93 1 0 1000.00 -999 ? >PHE^E 128 6.94 15.09 104.03 7.37 14.73 101.28 7.15 14.91 102.66 3 0 1000.00 -999 ? >ALA^E 129 2.98 16.74 103.21 2.04 17.90 103.49 2.51 17.32 103.35 2 0 1000.00 -999 ? >PHE^E 130 4.14 13.00 99.45 6.06 11.02 99.98 5.10 12.01 99.71 3 0 1000.00 -999 ? >SER^E 131 1.62 18.45 98.47 0.12 19.29 100.18 0.87 18.87 99.32 2 0 1000.00 -999 ? >SER^E 132 4.52 20.68 99.57 3.37 21.53 101.54 3.94 21.11 100.56 2 0 1000.00 -999 ? >PHE^E 133 8.01 16.01 97.78 10.11 14.38 96.93 9.06 15.19 97.36 3 0 1000.00 -999 ? >VAL^E 134 8.57 19.24 94.58 8.05 21.18 93.76 8.31 20.21 94.17 3 0 1000.00 -999 ? >MET?E 135 11.17 17.43 92.50 10.57 13.18 92.85 10.87 15.31 92.68 2 0 1000.00 -999 ? >ALA^E 136 13.47 18.87 89.87 14.94 19.21 90.11 14.21 19.04 89.99 2 0 1000.00 -999 ? >GLU^E 137 12.29 19.59 85.03 10.33 18.85 85.48 11.31 19.22 85.26 2 0 1000.00 -999 ? >PRO^E 138 13.68 13.37 85.35 15.09 15.04 85.94 14.39 14.21 85.64 3 0 1000.00 -999 ? >GLY^E 139 19.07 15.96 84.71 18.74 16.39 85.29 18.91 16.18 85.00 1 0 1000.00 -999 ? >TRP^E 140 17.24 22.42 86.78 17.97 22.62 90.63 17.60 22.52 88.70 3 0 1000.00 -999 ? >SER^E 141 21.51 20.47 89.12 22.91 19.32 87.50 22.21 19.89 88.31 2 0 1000.00 -999 ? >PRO^E 142 22.54 22.60 92.85 21.93 23.14 90.73 22.24 22.87 91.79 3 0 1000.00 -999 ? >GLY^E 143 23.58 25.27 87.56 22.94 24.83 87.53 23.26 25.05 87.54 1 0 1000.00 -999 ? >MET?F 5 40.33 10.01 25.70 41.47 6.87 26.06 40.90 8.44 25.88 2 0 1000.00 -999 ? >SER^F 6 40.08 11.56 22.21 38.84 12.46 20.32 39.46 12.01 21.27 2 0 1000.00 -999 ? >ALA^F 7 43.00 12.24 20.34 43.44 11.55 19.11 43.22 11.89 19.72 2 0 1000.00 -999 ? >GLN^F 8 39.51 13.99 17.46 40.98 14.11 15.92 40.25 14.05 16.69 2 0 1000.00 -999 ? >ALA^F 9 39.65 16.01 22.75 38.83 15.04 23.59 39.24 15.52 23.17 2 0 1000.00 -999 ? >ILE^F 10 44.25 14.77 23.78 44.42 14.22 25.08 44.33 14.50 24.43 3 0 1000.00 -999 ? >ILE^F 11 44.11 18.30 19.92 44.60 18.10 18.58 44.35 18.20 19.25 3 0 1000.00 -999 ? >ARG^F 12 39.36 22.97 22.16 39.42 24.20 19.34 39.39 23.58 20.75 2 0 1000.00 -999 ? >GLU^F 13 40.74 19.35 28.28 41.42 20.63 29.83 41.08 19.99 29.06 2 0 1000.00 -999 ? >LEU^F 14 46.85 19.69 26.09 47.09 18.13 27.55 46.97 18.91 26.82 3 0 1000.00 -999 ? >GLY^F 15 45.77 23.34 23.38 46.22 22.66 23.43 45.99 23.00 23.41 1 0 1000.00 -999 ? >LEU^F 16 48.07 19.97 20.85 48.49 18.78 22.61 48.28 19.38 21.73 3 0 1000.00 -999 ? >GLU^F 17 48.57 25.28 18.37 49.32 27.27 18.33 48.95 26.27 18.35 2 0 1000.00 -999 ? >PRO^F 18 48.71 22.25 13.25 50.13 21.73 14.87 49.42 21.99 14.06 3 0 1000.00 -999 ? >HIS^F 19 56.11 19.62 16.15 58.13 19.94 16.62 57.12 19.78 16.38 3 0 1000.00 -999 ? >PRO^F 20 57.47 22.96 13.08 56.38 21.11 12.52 56.93 22.04 12.80 3 0 1000.00 -999 ? >GLU^F 21 58.13 16.73 14.42 59.50 16.11 15.89 58.81 16.42 15.16 2 0 1000.00 -999 ? >GLY^F 22 54.10 16.46 11.94 54.48 16.67 12.66 54.29 16.57 12.30 1 0 1000.00 -999 ? >GLY^F 23 51.72 15.76 14.80 51.82 16.54 14.50 51.77 16.15 14.65 1 0 1000.00 -999 ? >PHE^F 24 48.17 18.10 16.57 46.57 17.99 14.27 47.37 18.05 15.42 3 0 1000.00 -999 ? >TYR^F 25 54.33 21.20 19.60 55.41 23.55 18.54 54.87 22.37 19.07 3 0 1000.00 -999 ? >HIS^F 26 50.98 23.98 24.40 50.81 25.76 25.51 50.90 24.87 24.96 3 0 1000.00 -999 ? >GLN^F 27 57.71 25.17 25.32 59.28 26.40 24.59 58.49 25.78 24.95 2 0 1000.00 -999 ? >THR^F 28 54.99 23.94 28.47 54.29 21.93 28.75 54.64 22.94 28.61 2 0 1000.00 -999 ? >PHE^F 29 59.86 24.15 31.63 62.10 24.57 33.28 60.98 24.36 32.46 3 0 1000.00 -999 ? >ARG^F 30 62.94 29.28 26.13 63.05 27.44 23.68 62.99 28.36 24.91 2 0 1000.00 -999 ? >ASP^F 31 65.22 25.96 32.09 65.98 26.08 34.06 65.60 26.02 33.07 2 0 1000.00 -999 ? >LYS^F 32 64.82 30.64 32.69 62.19 35.16 31.91 63.50 32.90 32.30 2 0 1000.00 -999 ? >ALA^F 33 68.35 29.47 33.53 68.48 28.86 34.92 68.41 29.17 34.22 2 0 1000.00 -999 ? >GLY^F 34 71.35 28.49 31.42 70.82 29.04 31.14 71.08 28.76 31.28 1 0 1000.00 -999 ? >GLY^F 35 71.29 30.69 28.34 70.65 30.70 28.88 70.97 30.69 28.61 1 0 1000.00 -999 ? >GLU^F 36 68.96 34.69 25.90 70.87 34.61 26.80 69.92 34.65 26.35 2 0 1000.00 -999 ? >ARG^F 37 70.43 26.82 23.80 70.55 24.67 21.62 70.49 25.74 22.71 2 0 1000.00 -999 ? >GLY^F 38 67.46 27.81 28.76 67.97 27.50 28.22 67.71 27.66 28.49 1 0 1000.00 -999 ? >HIS^F 39 70.39 24.94 32.49 72.38 25.30 33.07 71.39 25.12 32.78 3 0 1000.00 -999 ? >SER^F 40 65.91 22.66 29.20 66.78 20.69 30.30 66.34 21.68 29.75 2 0 1000.00 -999 ? >THR^F 41 62.49 22.75 27.52 63.09 23.41 25.51 62.79 23.08 26.52 2 0 1000.00 -999 ? >ALA^F 42 59.36 20.67 28.00 58.80 20.64 29.41 59.08 20.65 28.70 2 0 1000.00 -999 ? >ILE^F 43 57.38 19.72 23.93 57.58 20.37 23.46 57.48 20.05 23.70 3 0 1000.00 -999 ? >TYR^F 44 51.72 18.44 27.01 50.85 18.08 29.64 51.28 18.26 28.32 3 0 1000.00 -999 ? >TYR^F 45 54.91 15.27 20.08 55.33 14.70 17.37 55.12 14.99 18.73 3 0 1000.00 -999 ? >LEU^F 46 49.29 14.42 20.42 47.34 13.66 19.92 48.31 14.04 20.17 3 0 1000.00 -999 ? >LEU^F 47 51.94 10.62 17.02 53.81 11.25 16.18 52.88 10.93 16.60 3 0 1000.00 -999 ? >GLU^F 48 46.13 12.58 15.72 44.21 13.35 15.27 45.17 12.97 15.50 2 0 1000.00 -999 ? >LYS^F 49 46.69 7.32 13.51 47.87 4.59 13.98 47.28 5.96 13.74 2 0 1000.00 -999 ? >GLY^F 50 48.68 6.87 10.31 48.89 7.33 10.85 48.78 7.10 10.58 1 0 1000.00 -999 ? >VAL^F 51 50.71 10.06 10.78 50.40 11.90 11.90 50.55 10.98 11.34 3 0 1000.00 -999 ? >ARG^F 52 55.47 6.90 8.87 58.50 7.37 9.11 56.98 7.14 8.99 2 0 1000.00 -999 ? >SER^F 53 57.10 12.17 12.39 57.12 12.27 14.82 57.11 12.22 13.60 2 0 1000.00 -999 ? >HIS^F 54 57.75 14.83 8.28 55.88 15.67 7.84 56.82 15.25 8.06 3 0 1000.00 -999 ? >TRP^F 55 62.69 9.41 7.96 64.12 7.07 10.78 63.40 8.24 9.37 3 0 1000.00 -999 ? >HIS^F 56 62.95 15.31 13.59 61.76 14.45 15.09 62.35 14.88 14.34 3 0 1000.00 -999 ? >ARG^F 57 70.47 14.52 12.38 72.04 16.58 10.72 71.26 15.55 11.55 2 0 1000.00 -999 ? >VAL^F 58 68.35 18.15 17.14 67.07 18.71 18.79 67.71 18.43 17.97 3 0 1000.00 -999 ? >THR^F 59 72.06 18.75 16.60 72.29 20.32 15.14 72.18 19.53 15.87 2 0 1000.00 -999 ? >ASP^F 60 73.51 21.84 19.93 71.88 23.19 19.76 72.70 22.51 19.85 2 0 1000.00 -999 ? >ALA^F 61 70.73 18.59 22.30 69.53 19.52 22.40 70.13 19.06 22.35 2 0 1000.00 -999 ? >VAL^F 62 69.48 15.32 23.77 70.56 13.94 25.05 70.02 14.63 24.41 3 0 1000.00 -999 ? >GLU^F 63 63.56 14.98 22.36 62.67 15.59 20.52 63.12 15.28 21.44 2 0 1000.00 -999 ? >VAL^F 64 63.94 12.25 26.03 64.69 11.68 27.99 64.32 11.96 27.01 3 0 1000.00 -999 ? >TRP^F 65 61.81 11.09 22.32 58.84 11.45 19.77 60.33 11.27 21.05 3 0 1000.00 -999 ? >HIS^F 66 59.07 11.83 29.43 60.91 12.73 29.86 59.99 12.28 29.65 3 0 1000.00 -999 ? >TYR^F 67 53.44 5.88 27.41 50.76 5.08 27.44 52.10 5.48 27.42 3 0 1000.00 -999 ? >TYR^F 68 52.67 11.98 29.07 54.75 13.75 29.73 53.71 12.87 29.40 3 0 1000.00 -999 ? >ALA^F 69 48.78 7.84 27.33 47.61 8.76 27.70 48.19 8.30 27.52 2 0 1000.00 -999 ? >GLY^F 70 47.28 5.95 24.41 47.85 5.63 24.90 47.57 5.79 24.66 1 0 1000.00 -999 ? >ALA^F 71 48.98 3.25 22.37 48.60 2.86 20.95 48.79 3.05 21.66 2 0 1000.00 -999 ? >PRO^F 72 52.44 0.61 22.30 52.05 2.78 22.53 52.24 1.70 22.41 3 0 1000.00 -999 ? >ILE^F 73 55.51 5.92 20.25 55.66 7.30 19.82 55.58 6.61 20.04 3 0 1000.00 -999 ? >ALA^F 74 57.58 3.09 17.45 57.10 2.40 16.18 57.34 2.74 16.82 2 0 1000.00 -999 ? >LEU^F 75 60.87 6.11 19.21 61.70 8.09 19.31 61.28 7.10 19.26 3 0 1000.00 -999 ? >HIS^F 76 61.19 4.02 13.45 59.47 2.81 13.28 60.33 3.42 13.36 3 0 1000.00 -999 ? >LEU^F 77 67.04 6.04 17.14 66.00 6.71 18.90 66.52 6.38 18.02 3 0 1000.00 -999 ? >SER^F 78 69.71 6.39 13.65 70.50 6.20 11.37 70.11 6.29 12.51 2 0 1000.00 -999 ? >GLN^F 79 75.00 8.12 16.33 74.20 9.94 17.07 74.60 9.03 16.70 2 0 1000.00 -999 ? >ASP^F 80 76.17 6.38 11.39 77.70 6.69 12.87 76.93 6.54 12.13 2 0 1000.00 -999 ? >GLY^F 81 72.02 7.75 9.18 72.51 7.16 9.24 72.27 7.46 9.21 1 0 1000.00 -999 ? >ARG^F 82 75.94 2.42 6.67 76.38 1.44 3.81 76.16 1.93 5.24 2 0 1000.00 -999 ? >GLU^F 83 73.74 0.69 10.31 75.25 2.12 10.76 74.49 1.40 10.53 2 0 1000.00 -999 ? >VAL^F 84 68.12 2.25 11.97 66.08 2.29 11.22 67.10 2.27 11.59 3 0 1000.00 -999 ? >GLN^F 85 67.63 -0.25 17.47 69.19 -0.69 18.83 68.41 -0.47 18.15 2 0 1000.00 -999 ? >THR^F 86 63.48 0.88 16.83 61.66 0.63 15.70 62.57 0.76 16.27 2 0 1000.00 -999 ? >PHE^F 87 64.63 1.93 21.02 67.39 1.80 20.56 66.01 1.87 20.79 3 0 1000.00 -999 ? >THR^F 88 58.75 0.69 21.64 57.39 -0.94 21.33 58.07 -0.13 21.48 2 0 1000.00 -999 ? >LEU^F 89 57.94 5.16 23.25 58.05 6.95 24.44 58.00 6.06 23.84 3 0 1000.00 -999 ? >GLY^F 90 55.16 2.37 26.03 55.87 2.34 26.45 55.51 2.36 26.24 1 0 1000.00 -999 ? >PRO^F 91 52.00 1.71 29.01 54.21 1.61 28.92 53.10 1.66 28.97 3 0 1000.00 -999 ? >ALA^F 92 54.30 -2.35 29.16 53.78 -3.09 27.95 54.04 -2.72 28.56 2 0 1000.00 -999 ? >ILE^F 93 57.67 -2.57 32.63 58.36 -1.32 32.59 58.02 -1.95 32.61 3 0 1000.00 -999 ? >LEU^F 94 56.27 -7.40 31.75 56.37 -7.40 33.90 56.32 -7.40 32.82 3 0 1000.00 -999 ? >GLU^F 95 53.64 -6.64 27.49 53.56 -8.72 27.74 53.60 -7.68 27.62 2 0 1000.00 -999 ? >GLY^F 96 59.59 -5.29 26.32 59.05 -4.81 26.65 59.32 -5.05 26.48 1 0 1000.00 -999 ? >GLU^F 97 56.15 -1.65 25.01 54.06 -1.40 25.20 55.11 -1.53 25.10 2 0 1000.00 -999 ? >ARG^F 98 62.44 0.46 29.75 63.04 -2.48 30.44 62.74 -1.01 30.10 2 0 1000.00 -999 ? >PRO^F 99 57.99 4.00 31.10 58.37 3.94 28.93 58.18 3.97 30.02 3 0 1000.00 -999 ? >GLN^F 100 62.63 8.14 30.12 63.53 8.38 32.03 63.08 8.26 31.08 2 0 1000.00 -999 ? >VAL^F 101 63.63 6.63 25.66 62.26 5.96 24.09 62.94 6.29 24.87 3 0 1000.00 -999 ? >ILE^F 102 67.89 8.62 26.49 68.56 8.86 27.69 68.22 8.74 27.09 3 0 1000.00 -999 ? >VAL^F 103 67.64 10.12 22.05 66.25 10.46 20.42 66.95 10.29 21.24 3 0 1000.00 -999 ? >PRO^F 104 71.68 8.71 21.46 70.70 10.70 21.66 71.19 9.71 21.56 3 0 1000.00 -999 ? >ALA^F 105 72.35 14.53 20.52 73.43 15.39 21.19 72.89 14.96 20.85 2 0 1000.00 -999 ? >ASN^F 106 73.73 15.55 16.43 74.08 15.85 14.36 73.90 15.70 15.39 2 0 1000.00 -999 ? >CYH^F 107 70.64 11.74 16.29 70.01 9.15 17.11 70.33 10.44 16.70 2 0 1000.00 -999 ? >TRP^F 108 70.54 10.72 10.77 68.55 13.64 9.04 69.54 12.18 9.90 3 0 1000.00 -999 ? >GLN^F 109 64.79 12.11 16.59 63.84 12.74 18.40 64.31 12.43 17.50 2 0 1000.00 -999 ? >SER^F 110 61.12 9.73 13.74 61.59 8.14 11.94 61.35 8.93 12.84 2 0 1000.00 -999 ? >ALA^F 111 58.05 8.00 15.13 58.13 8.17 16.64 58.09 8.08 15.89 2 0 1000.00 -999 ? >GLU^F 112 54.60 4.59 13.28 54.68 3.69 11.34 54.64 4.14 12.31 2 0 1000.00 -999 ? >SER^F 113 51.75 5.70 16.98 49.67 5.75 18.21 50.71 5.72 17.59 2 0 1000.00 -999 ? >LEU^F 114 51.59 1.09 18.21 53.53 1.03 17.24 52.56 1.06 17.72 3 0 1000.00 -999 ? >GLY^F 115 47.16 2.86 17.61 47.52 3.54 17.34 47.34 3.20 17.48 1 0 1000.00 -999 ? >ASP^F 116 43.30 5.67 18.51 41.95 4.09 18.07 42.63 4.88 18.29 2 0 1000.00 -999 ? >PHE^F 117 45.64 9.12 21.06 44.67 8.87 23.68 45.15 8.99 22.37 3 0 1000.00 -999 ? >THR^F 118 49.82 8.53 21.73 51.47 7.13 21.48 50.64 7.83 21.61 2 0 1000.00 -999 ? >LEU^F 119 49.21 11.78 25.22 49.34 13.63 26.36 49.27 12.70 25.79 3 0 1000.00 -999 ? >VAL^F 120 53.92 11.96 25.03 54.78 11.19 23.19 54.35 11.57 24.11 3 0 1000.00 -999 ? >GLY^F 121 56.35 14.41 26.51 56.71 13.80 25.99 56.53 14.11 26.25 1 0 1000.00 -999 ? >CYH^F 122 59.64 15.63 25.14 58.96 14.76 22.56 59.30 15.19 23.85 2 0 1000.00 -999 ? >THR^F 123 62.37 17.15 27.26 62.07 16.14 29.15 62.22 16.64 28.21 2 0 1000.00 -999 ? >VAL^F 124 65.41 18.58 25.49 65.26 19.27 23.43 65.33 18.92 24.46 3 0 1000.00 -999 ? >SER^F 125 68.65 18.87 27.42 69.47 16.79 28.38 69.06 17.83 27.90 2 0 1000.00 -999 ? >PRO^F 126 72.29 20.35 25.27 70.44 21.10 26.24 71.36 20.73 25.75 3 0 1000.00 -999 ? >GLY^F 127 67.35 23.39 25.28 67.68 22.96 24.65 67.52 23.18 24.96 1 0 1000.00 -999 ? >PHE^F 128 63.55 21.97 20.58 62.86 21.32 17.95 63.21 21.65 19.26 3 0 1000.00 -999 ? >ALA^F 129 65.78 25.64 19.46 67.04 26.43 19.77 66.41 26.03 19.61 2 0 1000.00 -999 ? >PHE^F 130 62.17 25.60 15.57 59.74 24.39 16.25 60.95 25.00 15.91 3 0 1000.00 -999 ? >SER^F 131 68.02 26.91 14.80 69.45 27.73 16.57 68.73 27.32 15.68 2 0 1000.00 -999 ? >SER^F 132 69.46 23.49 15.64 68.93 23.17 18.00 69.20 23.33 16.82 2 0 1000.00 -999 ? >PHE^F 133 64.04 21.00 14.09 62.01 19.30 13.18 63.03 20.15 13.64 3 0 1000.00 -999 ? >VAL^F 134 66.92 19.79 10.88 68.93 19.72 10.06 67.93 19.76 10.47 3 0 1000.00 -999 ? >MET?F 135 64.62 17.76 8.68 60.64 19.22 9.27 62.63 18.49 8.98 2 0 1000.00 -999 ? >ALA^F 136 65.74 15.35 5.97 66.01 13.86 6.14 65.88 14.60 6.06 2 0 1000.00 -999 ? >GLU^F 137 66.03 16.51 1.22 65.70 18.58 1.64 65.86 17.54 1.43 2 0 1000.00 -999 ? >PRO^F 138 59.80 15.68 1.42 61.25 14.23 2.38 60.53 14.95 1.90 3 0 1000.00 -999 ? >GLY^F 139 61.09 10.12 1.23 61.59 10.43 1.81 61.34 10.28 1.52 1 0 1000.00 -999 ? >TRP^F 140 67.94 10.67 2.73 68.44 9.83 6.54 68.19 10.25 4.63 3 0 1000.00 -999 ? >SER^F 141 65.43 7.26 5.24 64.90 5.37 3.83 65.16 6.32 4.54 2 0 1000.00 -999 ? >PRO^F 142 67.31 5.36 8.68 67.93 6.02 6.62 67.62 5.69 7.65 3 0 1000.00 -999 ? >GLY^F 143 70.20 3.71 4.01 69.84 4.47 3.79 70.02 4.09 3.90 1 0 1000.00 -999 ? >ASP^F 144 66.80 5.82 1.56 65.62 5.95 -0.11 66.21 5.88 0.72 2 0 1000.00 -999 ? >MET?G 5 80.19 -18.04 145.19 81.09 -15.09 146.02 80.64 -16.56 145.61 2 0 1000.00 -999 ? >SER^G 6 78.26 -20.16 146.95 77.79 -18.42 148.51 78.03 -19.29 147.73 2 0 1000.00 -999 ? >ALA^G 7 75.16 -20.46 145.09 74.97 -19.67 143.80 75.06 -20.07 144.45 2 0 1000.00 -999 ? >GLN^G 8 76.65 -24.12 141.90 78.49 -24.62 140.94 77.57 -24.37 141.42 2 0 1000.00 -999 ? >ALA^G 9 75.93 -25.54 147.58 77.00 -25.05 148.54 76.46 -25.29 148.06 2 0 1000.00 -999 ? >ILE^G 10 72.64 -22.18 148.75 72.47 -20.87 149.32 72.55 -21.53 149.03 3 0 1000.00 -999 ? >ILE^G 11 71.20 -25.64 144.66 70.09 -24.90 143.93 70.65 -25.27 144.29 3 0 1000.00 -999 ? >ARG^G 12 75.12 -31.29 147.18 76.54 -31.95 144.51 75.83 -31.62 145.84 2 0 1000.00 -999 ? >GLU^G 13 72.87 -26.90 153.45 73.99 -28.43 154.45 73.43 -27.67 153.95 2 0 1000.00 -999 ? >LEU^G 14 68.19 -25.49 150.91 68.32 -23.96 152.48 68.25 -24.72 151.69 3 0 1000.00 -999 ? >GLY^G 15 67.55 -29.48 148.49 67.37 -28.68 148.52 67.46 -29.08 148.51 1 0 1000.00 -999 ? >LEU^G 16 66.48 -25.55 145.93 66.71 -24.09 147.55 66.59 -24.82 146.74 3 0 1000.00 -999 ? >GLU^G 17 63.13 -30.29 144.15 64.48 -31.72 143.36 63.80 -31.01 143.76 2 0 1000.00 -999 ? >PRO^G 18 64.60 -27.72 138.75 63.46 -26.66 140.34 64.03 -27.19 139.55 3 0 1000.00 -999 ? >HIS^G 19 58.90 -22.23 141.63 56.94 -21.67 142.10 57.92 -21.95 141.87 3 0 1000.00 -999 ? >PRO^G 20 56.29 -24.96 138.86 57.96 -23.68 138.14 57.13 -24.32 138.50 3 0 1000.00 -999 ? >GLU^G 21 58.19 -18.90 139.88 57.16 -17.65 141.25 57.67 -18.28 140.57 2 0 1000.00 -999 ? >GLY^G 22 62.02 -20.01 137.46 61.64 -20.22 138.21 61.83 -20.11 137.83 1 0 1000.00 -999 ? >GLY^G 23 64.68 -20.23 140.14 64.20 -20.84 139.80 64.44 -20.53 139.97 1 0 1000.00 -999 ? >PHE^G 24 66.76 -23.92 141.43 68.09 -23.98 138.97 67.43 -23.95 140.20 3 0 1000.00 -999 ? >TYR^G 25 60.02 -24.11 145.08 57.99 -25.91 144.38 59.00 -25.01 144.73 3 0 1000.00 -999 ? >HIS^G 26 62.44 -27.74 149.93 62.09 -29.56 150.91 62.27 -28.65 150.42 3 0 1000.00 -999 ? >GLN^G 27 55.80 -26.63 151.00 53.89 -26.62 150.07 54.84 -26.63 150.53 2 0 1000.00 -999 ? >THR^G 28 59.12 -26.26 154.16 60.35 -24.51 154.35 59.74 -25.38 154.25 2 0 1000.00 -999 ? >PHE^G 29 54.70 -24.73 157.69 52.52 -24.34 159.40 53.61 -24.54 158.54 3 0 1000.00 -999 ? >ARG^G 30 49.70 -27.89 152.41 49.56 -25.86 150.13 49.63 -26.88 151.27 2 0 1000.00 -999 ? >ASP^G 31 48.86 -24.11 158.27 48.76 -23.64 160.33 48.81 -23.87 159.30 2 0 1000.00 -999 ? >LYS^G 32 48.02 -28.66 158.94 49.85 -29.84 156.90 48.94 -29.25 157.92 2 0 1000.00 -999 ? >ALA^G 33 45.24 -26.33 160.08 45.33 -25.63 161.43 45.28 -25.98 160.76 2 0 1000.00 -999 ? >GLY^G 34 42.91 -24.26 157.93 42.99 -25.02 157.74 42.95 -24.64 157.83 1 0 1000.00 -999 ? >GLY^G 35 41.47 -26.65 155.36 42.21 -26.77 155.68 41.84 -26.71 155.52 1 0 1000.00 -999 ? >GLU^G 36 43.35 -30.89 151.40 42.95 -32.36 152.87 43.15 -31.63 152.14 2 0 1000.00 -999 ? >ARG^G 37 43.30 -23.56 148.98 44.00 -20.83 147.80 43.65 -22.20 148.39 2 0 1000.00 -999 ? >GLY^G 38 45.99 -24.76 155.16 45.63 -24.24 154.64 45.81 -24.50 154.90 1 0 1000.00 -999 ? >HIS^G 39 45.13 -21.37 159.10 43.49 -21.73 160.35 44.31 -21.55 159.73 3 0 1000.00 -999 ? >SER^G 40 49.60 -20.79 155.15 51.18 -20.36 156.95 50.39 -20.58 156.05 2 0 1000.00 -999 ? >THR^G 41 52.66 -22.27 153.43 51.81 -22.53 151.44 52.24 -22.40 152.44 2 0 1000.00 -999 ? >ALA^G 42 56.37 -21.54 153.64 57.01 -21.68 155.02 56.69 -21.61 154.33 2 0 1000.00 -999 ? >ILE^G 43 58.31 -21.75 149.59 57.83 -22.13 148.32 58.07 -21.94 148.96 3 0 1000.00 -999 ? >TYR^G 44 64.27 -22.33 152.29 65.13 -22.14 154.95 64.70 -22.23 153.62 3 0 1000.00 -999 ? >TYR^G 45 61.91 -18.52 145.28 61.57 -17.95 142.57 61.74 -18.23 143.92 3 0 1000.00 -999 ? >LEU^G 46 67.61 -19.83 145.53 69.69 -19.81 144.93 68.65 -19.82 145.23 3 0 1000.00 -999 ? >LEU^G 47 66.66 -15.69 141.77 64.60 -15.41 141.22 65.63 -15.55 141.50 3 0 1000.00 -999 ? >GLU^G 48 71.49 -19.13 140.82 71.89 -20.94 139.83 71.69 -20.03 140.32 2 0 1000.00 -999 ? >LYS^G 49 72.44 -14.21 137.98 77.80 -11.60 136.77 75.12 -12.91 137.38 2 0 1000.00 -999 ? >GLY^G 50 70.47 -14.56 134.76 70.09 -14.62 135.52 70.28 -14.59 135.14 1 0 1000.00 -999 ? >VAL^G 51 67.89 -17.11 135.86 68.06 -18.75 137.31 67.98 -17.93 136.59 3 0 1000.00 -999 ? >ARG^G 52 64.40 -12.48 134.23 61.99 -12.80 132.34 63.19 -12.64 133.29 2 0 1000.00 -999 ? >SER^G 53 61.39 -15.31 138.23 59.65 -15.36 139.93 60.52 -15.34 139.08 2 0 1000.00 -999 ? >HIS^G 54 60.10 -16.33 133.56 61.77 -17.28 132.71 60.93 -16.81 133.13 3 0 1000.00 -999 ? >TRP^G 55 56.74 -10.10 133.35 56.00 -7.57 136.27 56.37 -8.84 134.81 3 0 1000.00 -999 ? >HIS^G 56 54.41 -15.75 139.11 55.55 -15.32 140.82 54.98 -15.53 139.96 3 0 1000.00 -999 ? >ARG^G 57 47.34 -12.35 138.27 45.67 -14.05 136.30 46.50 -13.20 137.29 2 0 1000.00 -999 ? >VAL^G 58 48.65 -15.90 142.87 49.63 -16.66 144.64 49.14 -16.28 143.75 3 0 1000.00 -999 ? >THR^G 59 44.96 -15.32 142.19 43.42 -16.73 141.57 44.19 -16.03 141.88 2 0 1000.00 -999 ? >ASP^G 60 42.51 -17.11 145.76 43.42 -19.02 145.77 42.97 -18.07 145.76 2 0 1000.00 -999 ? >ALA^G 61 46.29 -15.19 148.17 46.91 -16.57 148.45 46.60 -15.88 148.31 2 0 1000.00 -999 ? >VAL^G 62 48.73 -12.62 149.50 48.47 -10.86 150.77 48.60 -11.74 150.13 3 0 1000.00 -999 ? >GLU^G 63 54.26 -14.93 148.09 55.03 -15.83 146.32 54.65 -15.38 147.20 2 0 1000.00 -999 ? >VAL^G 64 55.15 -12.12 151.32 54.73 -11.35 153.30 54.94 -11.74 152.31 3 0 1000.00 -999 ? >TRP^G 65 57.41 -12.08 147.24 60.04 -13.53 144.69 58.73 -12.80 145.96 3 0 1000.00 -999 ? >HIS^G 66 59.77 -13.28 154.53 57.75 -13.40 155.07 58.76 -13.34 154.80 3 0 1000.00 -999 ? >TYR^G 67 67.28 -10.34 152.05 70.06 -10.64 151.90 68.67 -10.49 151.97 3 0 1000.00 -999 ? >TYR^G 68 65.97 -16.14 153.96 63.45 -16.98 154.82 64.71 -16.56 154.39 3 0 1000.00 -999 ? >ALA^G 69 71.08 -14.13 152.04 71.84 -15.36 152.53 71.46 -14.75 152.28 2 0 1000.00 -999 ? >GLY^G 70 73.06 -13.04 149.01 72.67 -12.49 149.48 72.87 -12.77 149.25 1 0 1000.00 -999 ? >ALA^G 71 72.57 -10.01 146.79 73.02 -9.94 145.35 72.79 -9.97 146.07 2 0 1000.00 -999 ? >PRO^G 72 70.74 -6.10 146.59 70.06 -8.19 146.99 70.40 -7.14 146.79 3 0 1000.00 -999 ? >ILE^G 73 65.58 -9.80 145.05 64.80 -11.01 144.60 65.19 -10.41 144.82 3 0 1000.00 -999 ? >ALA^G 74 64.47 -6.41 142.29 65.03 -5.96 140.96 64.75 -6.18 141.63 2 0 1000.00 -999 ? >LEU^G 75 60.32 -7.51 144.27 59.04 -9.12 144.95 59.68 -8.31 144.61 3 0 1000.00 -999 ? >HIS^G 76 60.15 -6.02 138.49 62.20 -5.67 138.21 61.18 -5.84 138.35 3 0 1000.00 -999 ? >LEU^G 77 54.25 -5.47 142.54 54.70 -6.70 144.24 54.47 -6.08 143.39 3 0 1000.00 -999 ? >SER^G 78 51.69 -4.77 138.92 51.08 -4.37 136.64 51.38 -4.57 137.78 2 0 1000.00 -999 ? >GLN^G 79 46.50 -4.63 142.30 46.90 -6.45 143.33 46.70 -5.54 142.81 2 0 1000.00 -999 ? >ASP^G 80 45.85 -2.74 137.14 47.42 -1.41 136.65 46.63 -2.08 136.89 2 0 1000.00 -999 ? >GLY^G 81 48.85 -5.59 134.92 48.65 -4.77 135.02 48.75 -5.18 134.97 1 0 1000.00 -999 ? >ARG^G 82 47.94 -0.37 131.30 47.80 0.71 128.44 47.87 0.17 129.87 2 0 1000.00 -999 ? >GLU^G 83 49.65 1.85 136.05 48.88 3.49 137.13 49.26 2.67 136.59 2 0 1000.00 -999 ? >VAL^G 84 54.36 -1.47 137.74 56.13 -2.28 136.72 55.25 -1.87 137.23 3 0 1000.00 -999 ? >GLN^G 85 54.38 0.22 142.18 53.17 -0.08 143.92 53.78 0.07 143.05 2 0 1000.00 -999 ? >THR^G 86 59.93 -1.95 141.57 61.39 -2.18 140.02 60.66 -2.06 140.80 2 0 1000.00 -999 ? >PHE^G 87 58.72 -2.90 146.02 56.18 -1.73 146.06 57.45 -2.32 146.04 3 0 1000.00 -999 ? >THR^G 88 64.65 -3.57 146.10 66.45 -2.45 145.77 65.55 -3.01 145.93 2 0 1000.00 -999 ? >LEU^G 89 63.41 -7.83 148.01 62.94 -9.41 149.43 63.18 -8.62 148.72 3 0 1000.00 -999 ? >GLY^G 90 67.29 -6.52 150.54 66.68 -6.19 150.99 66.99 -6.35 150.77 1 0 1000.00 -999 ? >PRO^G 91 70.51 -7.21 153.50 68.60 -6.10 153.36 69.56 -6.65 153.43 3 0 1000.00 -999 ? >ALA^G 92 70.31 -2.52 153.42 71.04 -2.13 152.15 70.67 -2.33 152.79 2 0 1000.00 -999 ? >ILE^G 93 67.50 -0.94 157.02 66.13 -1.29 157.10 66.82 -1.11 157.06 3 0 1000.00 -999 ? >LEU^G 94 70.59 2.99 156.09 70.40 3.19 158.23 70.50 3.09 157.16 3 0 1000.00 -999 ? >GLU^G 95 72.26 2.39 151.63 74.06 1.30 151.48 73.16 1.84 151.55 2 0 1000.00 -999 ? >GLY^G 96 66.25 2.12 149.98 66.59 1.53 150.36 66.42 1.83 150.17 1 0 1000.00 -999 ? >GLU^G 97 68.14 -2.40 149.53 69.84 -3.68 149.70 68.99 -3.04 149.62 2 0 1000.00 -999 ? >ARG^G 98 61.74 -1.52 154.33 63.22 1.14 154.80 62.48 -0.19 154.56 2 0 1000.00 -999 ? >PRO^G 99 64.28 -6.63 155.70 63.90 -6.56 153.52 64.09 -6.60 154.61 3 0 1000.00 -999 ? >GLN^G 100 58.45 -8.69 155.20 57.47 -8.19 157.02 57.96 -8.44 156.11 2 0 1000.00 -999 ? >VAL^G 101 57.66 -6.93 150.87 58.47 -6.81 148.84 58.07 -6.87 149.86 3 0 1000.00 -999 ? >ILE^G 102 52.92 -6.87 151.35 52.57 -7.85 152.33 52.74 -7.36 151.84 3 0 1000.00 -999 ? >VAL^G 103 52.45 -8.94 147.25 53.56 -10.03 145.73 53.01 -9.48 146.49 3 0 1000.00 -999 ? >PRO^G 104 49.23 -6.10 147.16 49.39 -8.31 147.23 49.31 -7.20 147.19 3 0 1000.00 -999 ? >ALA^G 105 46.51 -11.32 146.22 45.29 -11.85 146.97 45.90 -11.59 146.59 2 0 1000.00 -999 ? >ASN^G 106 44.59 -11.16 142.26 43.81 -11.58 140.33 44.20 -11.37 141.30 2 0 1000.00 -999 ? >CYH^G 107 48.91 -9.02 141.88 50.68 -6.94 142.54 49.79 -7.98 142.21 2 0 1000.00 -999 ? >TRP^G 108 48.87 -8.75 136.46 49.28 -12.28 134.79 49.07 -10.52 135.62 3 0 1000.00 -999 ? >GLN^G 109 54.47 -12.20 141.69 54.68 -13.05 143.63 54.58 -12.62 142.66 2 0 1000.00 -999 ? >SER^G 110 58.27 -10.98 138.84 58.53 -9.11 137.30 58.40 -10.04 138.07 2 0 1000.00 -999 ? >ALA^G 111 61.74 -10.87 140.39 61.67 -11.43 141.80 61.70 -11.15 141.09 2 0 1000.00 -999 ? >GLU^G 112 65.83 -9.08 138.41 64.88 -8.07 136.83 65.36 -8.57 137.62 2 0 1000.00 -999 ? >SER^G 113 68.67 -11.34 141.66 70.68 -12.27 142.60 69.68 -11.81 142.13 2 0 1000.00 -999 ? >LEU^G 114 70.63 -7.06 142.38 68.92 -5.80 142.00 69.78 -6.43 142.19 3 0 1000.00 -999 ? >GLY^G 115 74.07 -10.32 142.02 73.46 -10.83 141.79 73.77 -10.57 141.90 1 0 1000.00 -999 ? >ASP^G 116 76.51 -14.48 142.76 78.36 -13.58 142.19 77.43 -14.03 142.47 2 0 1000.00 -999 ? >PHE^G 117 73.43 -16.66 145.59 74.87 -16.59 147.99 74.15 -16.63 146.79 3 0 1000.00 -999 ? >THR^G 118 69.55 -14.44 146.40 68.62 -12.51 146.17 69.09 -13.48 146.28 2 0 1000.00 -999 ? >LEU^G 119 68.88 -17.52 150.00 68.00 -19.16 151.13 68.44 -18.34 150.56 3 0 1000.00 -999 ? >VAL^G 120 64.56 -15.65 150.08 64.11 -14.44 148.29 64.33 -15.05 149.18 3 0 1000.00 -999 ? >GLY^G 121 61.43 -16.91 151.81 61.35 -16.26 151.26 61.39 -16.58 151.54 1 0 1000.00 -999 ? >CYH^G 122 57.80 -16.86 150.70 58.95 -16.36 148.17 58.38 -16.61 149.44 2 0 1000.00 -999 ? >THR^G 123 54.72 -17.23 152.88 55.42 -16.31 154.73 55.07 -16.77 153.81 2 0 1000.00 -999 ? >VAL^G 124 51.39 -17.19 151.02 51.26 -17.88 148.95 51.33 -17.53 149.99 3 0 1000.00 -999 ? >SER^G 125 48.59 -16.83 153.51 47.85 -16.58 155.71 48.22 -16.70 154.61 2 0 1000.00 -999 ? >PRO^G 126 44.47 -16.79 151.13 46.03 -17.82 152.32 45.25 -17.30 151.73 3 0 1000.00 -999 ? >GLY^G 127 47.84 -21.25 151.24 47.68 -20.75 150.55 47.76 -21.00 150.89 1 0 1000.00 -999 ? >PHE^G 128 51.71 -21.72 146.70 52.67 -21.88 144.08 52.19 -21.80 145.39 3 0 1000.00 -999 ? >ALA^G 129 48.12 -23.89 145.53 46.66 -24.11 145.87 47.39 -24.00 145.70 2 0 1000.00 -999 ? >PHE^G 130 51.19 -25.56 141.57 53.97 -25.40 142.00 52.58 -25.48 141.79 3 0 1000.00 -999 ? >SER^G 131 45.22 -24.42 141.04 43.87 -24.98 142.96 44.55 -24.70 142.00 2 0 1000.00 -999 ? >SER^G 132 45.47 -20.73 142.00 44.29 -21.27 144.07 44.88 -21.00 143.03 2 0 1000.00 -999 ? >PHE^G 133 51.18 -20.73 139.81 53.75 -19.89 139.09 52.46 -20.31 139.45 3 0 1000.00 -999 ? >VAL^G 134 48.80 -18.26 136.81 46.81 -17.63 136.21 47.81 -17.94 136.51 3 0 1000.00 -999 ? >MET?G 135 51.82 -17.36 134.67 54.99 -20.22 135.03 53.40 -18.79 134.85 2 0 1000.00 -999 ? >ALA^G 136 51.89 -14.73 131.94 52.30 -13.29 132.20 52.09 -14.01 132.07 2 0 1000.00 -999 ? >GLU^G 137 51.99 -13.38 126.94 51.75 -12.67 124.94 51.87 -13.03 125.94 2 0 1000.00 -999 ? >PRO^G 138 56.55 -17.65 127.97 55.90 -15.53 127.94 56.22 -16.59 127.95 3 0 1000.00 -999 ? >GLY^G 139 57.86 -11.95 126.66 57.26 -11.99 127.21 57.56 -11.97 126.93 1 0 1000.00 -999 ? >TRP^G 140 51.45 -9.55 128.55 51.61 -8.85 132.43 51.53 -9.20 130.49 3 0 1000.00 -999 ? >SER^G 141 55.14 -6.99 130.28 57.37 -6.71 129.36 56.26 -6.85 129.82 2 0 1000.00 -999 ? >PRO^G 142 53.92 -4.69 133.74 52.96 -5.48 131.90 53.44 -5.08 132.82 3 0 1000.00 -999 ? >GLY^G 143 50.51 -2.71 129.72 50.56 -3.46 129.44 50.53 -3.08 129.58 1 0 1000.00 -999 ? >ASP^G 144 52.37 -4.92 125.85 52.89 -6.66 126.92 52.63 -5.79 126.38 2 0 1000.00 -999 ?