REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 17-JUL-08 3DUK COMPND NTF2-LIKE PROTEIN OF UNKNOWN FUNCTION; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOBACILLUS FLAGELLATUS KT; SOURCE 3 ORGANISM_TAXID: 265072; SOURCE 4 GENE: YP_544675.1, MFLA_0564; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 13 HET MSE A 21 8 HET MSE A 32 8 HET MSE B 1 8 HET MSE B 21 8 HET MSE B 32 8 HET MSE C 1 8 HET MSE C 21 8 HET MSE C 32 8 HET MSE D 1 8 HET MSE D 21 8 HET MSE D 32 8 HET MSE E 1 8 HET MSE E 21 8 HET MSE E 32 8 HET MSE F 1 8 HET MSE F 21 8 HET MSE F 32 8 HET EDO A 125 4 HET EDO A 126 4 HET EDO A 127 4 HET EDO B 125 4 HET EDO C 125 4 HET CL D 125 1 HET EDO D 126 4 HET EDO E 125 4 HET EDO E 126 4 SITE 1 AC1 6 GLU A 93 ASN A 94 PHE A 98 LYS A 99 SITE 1 AC2 3 ILE A 56 LYS A 57 HOH A 188 SITE 1 AC3 3 ASN A 97 ASN D 94 ASN D 97 SITE 1 AC4 3 MSE B 1 GLY D 0 MSE D 1 SITE 1 AC5 6 THR A 77 ARG A 89 ASN C 78 ILE C 79 SITE 1 AC6 1 LYS D 118 SITE 1 AC7 6 ARG A 89 VAL C 5 HOH C 167 VAL D 3 SITE 1 AC8 5 LYS E 4 HIS E 123 HOH E 137 SER F 2 SITE 1 AC9 6 THR E 77 ASN E 78 ILE E 79 ASP E 80 >GLY.A 0 -7.27 52.80 69.76 -6.59 52.52 70.18 -6.93 52.66 69.97 1 0 16.13 -999 ? CL CL D 125 >MET?A 1 -4.52 51.76 67.36 -7.55 50.46 66.20 -6.04 51.11 66.78 2 0 14.58 -999 ? CL CL D 125 >SER.A 2 -1.93 54.46 66.68 0.32 55.43 66.65 -0.81 54.94 66.66 2 0 14.95 -999 ? C2 EDO B 125 >VAL.A 3 -1.75 55.72 63.08 -3.17 57.36 63.01 -2.46 56.54 63.04 3 0 15.31 -999 ? C2 EDO B 125 >VAL.A 5 3.42 54.28 60.14 3.27 54.82 58.04 3.35 54.55 59.09 3 0 15.62 -999 ? C2 EDO C 125 >SER~A 6 5.51 51.25 61.16 3.86 49.61 61.83 4.69 50.43 61.49 2 0 19.57 -999 ? C2 EDO C 125 >VAL~A 7 7.89 48.95 59.28 10.06 48.76 58.99 8.97 48.86 59.14 3 0 18.72 -999 ? C2 EDO C 125 >ASP~A 8 5.39 46.01 62.20 4.31 44.26 62.65 4.85 45.14 62.43 2 0 22.72 -999 ? O2 EDO C 125 >ASP~A 9 1.90 48.52 59.41 0.61 48.22 61.04 1.25 48.37 60.23 2 0 19.34 -999 ? C2 EDO C 125 >ILE~A 10 5.67 48.88 55.59 6.33 50.06 55.18 6.00 49.47 55.39 3 0 14.31 -999 ? O2 EDO C 125 >ASP~A 11 6.83 43.85 56.59 8.67 44.86 56.44 7.75 44.35 56.52 2 0 18.36 -999 ? O2 EDO C 125 >GLY~A 12 2.39 42.92 56.54 2.57 43.42 55.88 2.48 43.17 56.21 1 0 18.44 -999 ? O2 EDO C 125 >ILE~A 13 0.51 46.20 53.51 -0.29 47.35 53.45 0.11 46.77 53.48 3 0 13.72 -999 ? O2 EDO C 125 >THR~A 14 3.68 43.87 51.32 5.68 44.60 51.03 4.68 44.23 51.18 2 0 13.98 -999 ? O2 EDO C 125 >GLU~A 15 3.37 38.30 54.03 3.46 37.72 56.05 3.42 38.01 55.04 2 0 22.05 -999 ? O2 EDO C 125 >VAL~A 16 -0.36 40.00 51.37 -2.22 41.08 51.80 -1.29 40.54 51.58 3 0 16.69 -999 ? O2 EDO A 126 >LEU~A 17 0.78 43.30 48.01 -0.53 45.02 48.17 0.13 44.16 48.09 3 0 12.51 -999 ? O2 EDO C 125 >ASN~A 18 4.23 39.01 48.40 5.73 40.51 48.39 4.98 39.76 48.40 2 0 16.31 -999 ? O2 EDO C 125 >VAL~A 19 0.48 36.53 47.81 -0.57 35.59 49.45 -0.04 36.06 48.63 3 0 16.19 -999 ? O2 EDO A 126 >TYR~A 20 -2.83 40.17 44.02 -3.78 41.32 41.68 -3.30 40.74 42.85 3 0 14.30 -999 ? O2 EDO A 126 >MET?A 21 1.35 39.04 42.84 3.40 42.79 43.63 2.38 40.91 43.24 2 0 12.75 -999 ? O2 EDO C 125 >ASN~A 22 3.46 34.96 44.43 5.29 35.86 45.02 4.38 35.41 44.73 2 0 18.80 -999 ? O2 EDO A 125 >ALA~A 23 -0.51 33.95 42.44 -1.76 34.13 43.28 -1.13 34.04 42.86 2 0 14.50 -999 ? O2 EDO A 126 >ALA~A 24 -0.79 36.18 39.39 -0.57 37.69 39.37 -0.68 36.94 39.38 2 0 13.05 -999 ? O2 EDO A 125 >GLU~A 25 4.98 34.66 37.75 6.82 35.13 38.68 5.90 34.90 38.22 2 0 14.72 -999 ? C2 EDO A 125 >SER~A 26 2.45 31.13 39.12 4.77 31.77 39.47 3.61 31.45 39.29 2 0 17.29 -999 ? O2 EDO A 125 >GLY~A 27 -0.76 30.36 40.98 -0.94 30.62 40.26 -0.85 30.49 40.62 1 0 16.67 -999 ? O2 EDO A 126 >THR~A 28 -4.44 29.52 40.74 -4.64 27.59 41.69 -4.54 28.55 41.21 2 0 14.17 -999 ? O2 EDO A 126 >GLY~A 29 -7.42 31.70 41.58 -7.13 31.07 42.03 -7.28 31.39 41.80 1 0 10.16 -999 ? O2 EDO A 126 >GLU~A 30 -9.42 27.75 44.44 -9.54 27.49 42.34 -9.48 27.62 43.39 2 0 10.49 -999 ? O2 EDO A 126 >GLU~A 31 -2.88 28.51 45.08 -1.20 27.79 44.00 -2.04 28.15 44.54 2 0 16.53 -999 ? O2 EDO A 126 >MET?A 32 -4.91 34.15 44.79 -5.98 36.69 41.44 -5.44 35.42 43.11 2 0 11.14 -999 ? O2 EDO A 126 >SER~A 33 -7.97 34.31 47.05 -8.94 32.15 47.67 -8.45 33.23 47.36 2 0 7.75 -999 ? O2 EDO A 126 >ALA.A 34 -5.70 33.79 50.06 -4.49 32.87 50.09 -5.10 33.33 50.07 2 0 12.36 -999 ? O2 EDO A 126 >ALA.A 35 -4.84 37.49 49.86 -3.96 38.06 48.74 -4.40 37.78 49.30 2 0 12.72 -999 ? O2 EDO A 126 >PHE^A 36 -8.46 39.08 47.39 -7.07 40.20 45.28 -7.77 39.64 46.34 3 0 9.48 -999 ? O2 EDO A 126 >HIS^A 37 -12.77 40.24 54.02 -14.18 40.16 55.56 -13.48 40.20 54.79 3 0 9.77 -999 ? O1 EDO A 126 >ASP^A 39 -17.31 40.07 52.12 -18.33 38.57 53.19 -17.82 39.32 52.65 2 0 6.98 -999 ? O1 EDO A 126 >ALA^A 40 -13.86 41.33 48.87 -12.43 40.88 48.63 -13.14 41.10 48.75 2 0 6.53 -999 ? O1 EDO A 126 >THR^A 41 -14.94 43.13 45.70 -16.06 44.72 46.65 -15.50 43.92 46.17 2 0 7.30 -999 ? O1 EDO A 126 >ILE^A 42 -12.77 42.82 41.69 -12.38 41.97 40.59 -12.58 42.40 41.14 3 0 8.65 -999 ? O1 EDO A 126 >PHE^A 43 -16.46 47.68 41.03 -18.74 47.29 42.55 -17.60 47.48 41.79 3 0 10.89 -999 ? O1 EDO A 126 >GLY^A 44 -12.96 47.16 36.30 -13.74 46.93 36.16 -13.35 47.05 36.23 1 0 14.60 -999 ? O1 EDO A 126 >TYR^A 45 -15.01 49.91 32.36 -17.41 51.22 32.85 -16.21 50.57 32.60 3 0 15.80 -999 ? O1 EDO D 126 >VAL^A 46 -12.54 45.72 29.64 -11.85 43.65 29.67 -12.20 44.69 29.66 3 0 13.29 -999 ? O2 EDO A 127 >GLY.A 47 -13.36 48.00 26.73 -13.59 48.08 27.54 -13.48 48.04 27.14 1 0 14.06 -999 ? O2 EDO A 127 >ASP.A 48 -17.75 49.77 25.90 -16.76 50.96 24.48 -17.25 50.36 25.19 2 0 18.02 -999 ? O2 EDO A 127 >LEU^A 50 -18.88 47.23 33.92 -18.44 48.19 35.82 -18.66 47.71 34.87 3 0 15.32 -999 ? O1 EDO A 126 >ALA^A 51 -16.58 42.91 33.10 -15.33 42.45 32.36 -15.96 42.68 32.73 2 0 14.59 -999 ? C1 EDO A 126 >PHE^A 52 -13.67 42.20 36.71 -12.03 40.26 35.60 -12.85 41.23 36.16 3 0 11.52 -999 ? C1 EDO A 126 >ASN^A 53 -20.19 44.59 37.96 -21.01 42.67 37.53 -20.60 43.63 37.75 2 0 10.57 -999 ? C1 EDO A 126 >GLY^A 54 -18.47 43.47 42.42 -18.06 42.95 41.94 -18.26 43.21 42.18 1 0 7.12 -999 ? O1 EDO A 126 >PRO^A 55 -20.07 39.54 41.78 -18.22 40.38 42.72 -19.15 39.96 42.25 3 0 4.94 -999 ? C1 EDO A 126 >ILE~A 56 -13.70 38.88 45.05 -12.91 38.88 45.07 -13.31 38.88 45.06 3 0 -4.63 -999 ? O1 EDO A 126s >LYS~A 57 -15.34 35.32 42.43 -17.84 30.91 40.42 -16.59 33.12 41.42 2 0 -7.12 -999 ? O2 EDO A 126s >ASP~A 58 -15.88 37.95 38.43 -17.98 37.72 38.51 -16.93 37.83 38.47 2 0 7.06 -999 ? C1 EDO A 126 >LEU~A 59 -10.91 38.25 40.74 -8.87 38.98 40.80 -9.89 38.62 40.77 3 0 8.84 -999 ? O2 EDO A 126 >TYR~A 60 -10.95 34.13 43.19 -10.72 35.75 45.43 -10.84 34.94 44.31 3 0 5.42 -999 ? O2 EDO A 126 >ASP~A 61 -14.08 32.60 37.52 -15.29 31.58 38.90 -14.69 32.09 38.21 2 0 7.88 -999 ? O2 EDO A 126 >TRP~A 62 -10.48 36.99 32.80 -6.96 38.15 34.09 -8.72 37.57 33.44 3 0 13.95 -999 ? O2 EDO A 125 >HIS~A 63 -5.49 34.06 38.22 -3.40 33.96 38.38 -4.45 34.01 38.30 3 0 13.90 -999 ? O2 EDO A 126 >ASN~A 64 -9.33 29.46 36.99 -8.96 29.12 39.06 -9.15 29.29 38.03 2 0 11.45 -999 ? O2 EDO A 126 >SER~A 65 -9.37 30.44 32.66 -11.78 30.62 32.83 -10.57 30.53 32.74 2 0 14.48 -999 ? O2 EDO A 126 >ASN~A 66 -6.62 34.32 32.05 -5.37 35.56 30.88 -6.00 34.94 31.46 2 0 11.90 -999 ? O2 EDO A 127 >GLY~A 67 -4.05 30.92 33.62 -4.12 31.74 33.64 -4.08 31.33 33.63 1 0 16.29 -999 ? O2 EDO A 125 >PRO.A 68 -0.67 29.89 36.01 -1.37 31.75 34.97 -1.02 30.82 35.49 3 0 16.15 -999 ? O2 EDO A 125 >ALA.A 69 1.01 35.12 33.71 0.57 36.56 33.92 0.79 35.84 33.82 2 0 10.12 -999 ? O2 EDO A 125 >ASN.A 71 5.93 36.99 30.59 6.54 35.23 29.55 6.23 36.11 30.07 2 0 10.92 -999 ? C2 EDO A 125 >VAL.A 72 4.23 39.26 34.40 2.75 39.26 36.00 3.49 39.26 35.20 3 0 8.72 -999 ? O2 EDO A 125 >GLN^A 73 8.31 41.87 34.70 9.60 40.75 35.97 8.96 41.31 35.33 2 0 10.56 -999 ? C2 EDO A 125 >SER^A 74 4.43 43.64 39.06 3.49 41.51 39.74 3.96 42.58 39.40 2 0 11.39 -999 ? O2 EDO A 125 >ARG^A 75 8.60 45.95 40.47 9.69 43.89 38.46 9.15 44.92 39.47 2 0 11.39 -999 ? O1 EDO A 125 >ILE^A 76 4.23 47.52 46.00 3.73 46.93 47.20 3.98 47.22 46.60 3 0 9.19 -999 ? O2 EDO C 125 >THR^A 77 4.22 51.77 44.00 3.38 51.93 42.01 3.80 51.85 43.01 2 0 -3.91 -999 ? O2 EDO C 125s >ASN^A 78 1.19 54.00 46.47 0.69 55.53 47.87 0.94 54.77 47.17 2 0 4.49 -999 ? C2 EDO C 125 >ILE^A 79 2.20 50.92 51.22 2.54 49.57 51.66 2.37 50.25 51.44 3 0 9.91 -999 ? O2 EDO C 125 >ASP^A 80 -1.60 55.53 51.76 -1.92 57.30 52.87 -1.76 56.41 52.32 2 0 9.95 -999 ? C2 EDO C 125 >ILE^A 81 -0.37 52.26 56.67 0.27 50.99 56.91 -0.05 51.62 56.79 3 0 14.17 -999 ? C2 EDO C 125 >VAL^A 82 -3.63 54.62 58.72 -5.44 55.82 58.33 -4.53 55.22 58.52 3 0 13.81 -999 ? CL CL D 125 >GLY.A 83 -4.07 52.36 61.74 -4.05 52.04 61.00 -4.06 52.20 61.37 1 0 15.19 -999 ? CL CL D 125 >THR.A 84 -6.46 49.59 60.73 -7.96 50.02 62.20 -7.21 49.80 61.46 2 0 12.87 -999 ? CL CL D 125 >VAL^A 85 -6.99 50.30 57.03 -8.80 51.50 57.15 -7.90 50.90 57.09 3 0 12.06 -999 ? CL CL D 125 >ALA^A 86 -4.72 51.09 54.10 -3.47 50.22 54.28 -4.09 50.65 54.19 2 0 13.50 -999 ? C2 EDO C 125 >HIS^A 87 -4.53 53.48 48.43 -4.27 53.59 46.35 -4.40 53.53 47.39 3 0 7.18 -999 ? O1 EDO C 125 >ALA^A 88 -2.01 50.38 47.98 -1.63 49.01 48.49 -1.82 49.69 48.23 2 0 9.19 -999 ? O2 EDO C 125 >ARG^A 89 -1.23 53.44 41.67 -1.46 55.08 39.09 -1.35 54.26 40.38 2 0 3.54 -999 ? C2 EDO D 126s >VAL^A 90 0.38 47.93 42.12 0.44 45.88 42.91 0.41 46.90 42.51 3 0 8.70 -999 ? O2 EDO C 125 >GLU^A 91 2.21 50.59 38.57 0.52 51.51 37.68 1.37 51.05 38.12 2 0 5.96 -999 ? C2 EDO D 126 >ALA^A 92 1.51 44.95 36.36 0.43 43.93 36.62 0.97 44.44 36.49 2 0 7.79 -999 ? O2 EDO A 125 >GLU^A 93 4.11 46.86 32.91 5.78 48.04 32.33 4.94 47.45 32.62 2 0 -3.69 -999 ? O1 EDO A 125s >ASN.A 94 4.30 41.22 30.09 4.46 39.87 28.45 4.38 40.55 29.27 2 0 -5.93 -999 ? C2 EDO A 125s >TRP.A 95 -2.28 38.60 33.74 -3.03 39.65 37.44 -2.66 39.12 35.59 3 0 10.12 -999 ? O2 EDO A 125 >THR.A 96 -0.50 37.65 29.59 -2.14 36.64 30.58 -1.32 37.14 30.09 2 0 9.77 -999 ? O2 EDO A 125 >ASN.A 97 -0.23 40.03 25.96 1.03 38.45 25.26 0.40 39.24 25.61 2 0 -5.61 -999 ? O2 EDO A 127s >PHE.A 98 -3.98 41.61 29.40 -5.67 40.02 27.87 -4.83 40.81 28.64 3 0 -7.20 -999 ? O2 EDO A 127s >LYS.A 99 -0.91 46.12 31.42 2.44 50.19 32.66 0.77 48.15 32.04 2 0 -4.74 -999 ? C1 EDO A 125s >PHE^A 100 -4.03 44.58 34.62 -5.40 42.68 33.15 -4.71 43.63 33.88 3 0 8.42 -999 ? O2 EDO A 125 >SER^A 101 -2.91 49.52 37.30 -1.99 51.40 36.09 -2.45 50.46 36.70 2 0 5.90 -999 ? C2 EDO D 126 >ASP^A 102 -3.94 46.75 41.07 -4.20 45.14 39.72 -4.07 45.94 40.39 2 0 12.28 -999 ? O2 EDO A 125 >LEU^A 103 -6.66 51.38 43.05 -5.97 53.18 42.01 -6.31 52.28 42.53 3 0 7.83 -999 ? O1 EDO C 125 >PHE^A 104 -4.94 46.47 45.96 -4.14 44.71 43.97 -4.54 45.59 44.97 3 0 11.98 -999 ? O2 EDO C 125 >LEU^A 105 -9.59 49.49 50.13 -10.09 51.57 49.67 -9.84 50.53 49.90 3 0 13.66 -999 ? O1 EDO C 125 >LEU^A 106 -5.36 46.60 52.88 -3.84 46.27 51.40 -4.60 46.43 52.14 3 0 14.42 -999 ? O2 EDO C 125 >LEU^A 107 -9.55 45.51 56.40 -10.96 45.76 58.04 -10.26 45.63 57.22 3 0 13.90 -999 ? CL CL D 125 >LYS^A 108 -6.03 44.72 59.26 -0.89 45.61 62.78 -3.46 45.17 61.02 2 0 21.11 -999 ? CL CL D 125 >LEU^A 109 -9.13 41.07 59.12 -11.14 40.21 59.10 -10.13 40.64 59.11 3 0 15.11 -999 ? O1 EDO A 126 >ASP.A 110 -8.34 39.28 63.65 -10.46 39.26 63.73 -9.40 39.27 63.69 2 0 18.88 -999 ? O1 EDO A 126 >GLY.A 111 -4.15 41.85 63.44 -4.49 41.58 62.78 -4.32 41.71 63.11 1 0 21.18 -999 ? CL CL D 125 >TRP^A 113 -1.19 44.48 57.96 -3.30 47.77 57.52 -2.24 46.13 57.74 3 0 17.94 -999 ? O2 EDO C 125 >THR^A 114 -6.05 41.47 53.89 -7.91 40.41 54.18 -6.98 40.94 54.04 2 0 12.73 -999 ? O2 EDO A 126 >ILE^A 115 -6.88 42.65 49.27 -6.11 42.93 48.10 -6.50 42.79 48.69 3 0 12.46 -999 ? O1 EDO A 126 >VAL^A 116 -11.07 43.97 50.91 -11.25 45.09 52.80 -11.16 44.53 51.85 3 0 10.95 -999 ? O1 EDO A 126 >ASN^A 117 -11.96 47.37 47.98 -13.43 47.34 49.52 -12.69 47.35 48.75 2 0 11.07 -999 ? O1 EDO A 126 >LYS^A 118 -9.83 46.13 44.24 -7.13 42.60 39.86 -8.48 44.36 42.05 2 0 13.23 -999 ? O2 EDO A 126 >VAL^A 119 -10.34 48.30 41.20 -11.07 50.18 42.06 -10.70 49.24 41.63 3 0 13.20 -999 ? O1 EDO C 125 >PHE^A 120 -8.73 46.13 36.86 -10.51 44.75 35.22 -9.62 45.44 36.04 3 0 13.53 -999 ? O2 EDO A 125 >HIS^A 121 -7.06 52.13 33.43 -7.31 53.04 31.56 -7.18 52.58 32.50 3 0 7.85 -999 ? O1 EDO D 126 >LEU^A 122 -7.40 47.08 30.99 -6.72 45.61 29.54 -7.06 46.34 30.27 3 0 9.21 -999 ? O2 EDO A 125 >HIS.A 123 -2.43 51.01 31.30 -2.05 51.97 33.12 -2.24 51.49 32.21 3 0 7.16 -999 ? C2 EDO D 126 >ALA.A 124 -4.91 50.77 25.91 -5.76 51.91 25.35 -5.34 51.34 25.63 2 0 9.76 -999 ? O1 EDO A 127 >GLY.B 0 6.84 66.10 71.32 6.31 66.77 71.31 6.57 66.43 71.32 1 0 5.34 -999 ? O1 EDO B 125 >MET?B 1 5.05 66.59 68.02 5.67 68.89 64.39 5.36 67.74 66.21 2 0 -3.83 -999 ? O2 EDO B 125s >SER.B 2 2.36 64.26 66.72 0.23 63.08 66.83 1.29 63.67 66.78 2 0 7.54 -999 ? C2 EDO B 125 >VAL.B 3 2.23 63.24 63.05 3.75 61.70 62.82 2.99 62.47 62.94 3 0 8.93 -999 ? O2 EDO B 125 >LYS.B 4 -1.52 62.69 63.14 -5.85 63.19 67.33 -3.69 62.94 65.23 2 0 11.04 -999 ? C2 EDO B 125 >VAL.B 5 -2.75 64.45 59.98 -2.61 63.90 57.86 -2.68 64.17 58.92 3 0 11.48 -999 ? O2 EDO B 125 >SER~B 6 -4.86 67.45 61.05 -3.40 69.25 61.76 -4.13 68.35 61.41 2 0 8.10 -999 ? O2 EDO B 125 >VAL~B 7 -7.22 69.76 59.15 -9.39 69.97 58.92 -8.31 69.86 59.03 3 0 13.59 -999 ? O2 EDO B 125 >ASP~B 8 -4.59 72.72 61.93 -3.75 74.60 62.38 -4.17 73.66 62.16 2 0 8.86 -999 ? O2 EDO B 125 >ASP~B 9 -1.04 70.43 58.97 0.01 70.79 60.77 -0.52 70.61 59.87 2 0 6.48 -999 ? O2 EDO B 125 >ILE~B 10 -5.24 69.79 55.47 -5.95 68.63 54.97 -5.59 69.21 55.22 3 0 14.27 -999 ? O2 EDO B 125 >ASP~B 11 -6.28 74.81 56.66 -8.21 74.00 56.42 -7.25 74.40 56.54 2 0 15.46 -999 ? O2 EDO B 125 >GLY~B 12 -1.84 75.84 56.06 -2.06 75.29 55.46 -1.95 75.56 55.76 1 0 12.63 -999 ? O2 EDO B 125 >ILE~B 13 -0.23 72.37 53.13 0.47 71.19 53.13 0.12 71.78 53.13 3 0 13.74 -999 ? O2 EDO B 125 >THR~B 14 -3.42 74.77 51.03 -5.44 74.01 50.78 -4.43 74.39 50.90 2 0 18.17 -999 ? O2 EDO B 125 >GLU~B 15 -3.72 79.75 54.04 -3.10 80.79 55.78 -3.41 80.27 54.91 2 0 15.98 -999 ? O2 EDO B 125 >VAL~B 16 0.74 78.62 50.80 2.58 77.49 51.10 1.66 78.05 50.95 3 0 17.29 -999 ? O2 EDO B 125 >LEU~B 17 -0.57 75.13 47.67 0.72 73.37 47.79 0.07 74.25 47.73 3 0 17.36 -999 ? C1 EDO C 125 >ASN~B 18 -4.03 79.33 47.81 -5.50 77.80 47.86 -4.76 78.57 47.83 2 0 21.72 -999 ? O2 EDO B 125 >VAL~B 19 -0.38 81.93 47.03 0.72 82.99 48.59 0.17 82.46 47.81 3 0 22.30 -999 ? O2 EDO B 125 >TYR~B 20 2.72 78.11 43.24 3.61 76.83 40.94 3.16 77.47 42.09 3 0 19.96 -999 ? C1 EDO C 125 >MET?B 21 -1.49 79.24 42.14 -3.58 75.65 43.34 -2.53 77.44 42.74 2 0 18.61 -999 ? C1 EDO C 125 >ASN~B 22 -3.33 83.40 43.79 -5.23 82.74 44.48 -4.28 83.07 44.13 2 0 25.93 -999 ? C1 EDO C 125 >ALA~B 23 0.45 84.39 41.58 1.71 84.32 42.41 1.08 84.35 41.99 2 0 26.70 -999 ? C1 EDO C 125 >ALA~B 24 0.66 82.02 38.63 0.65 80.51 38.74 0.65 81.26 38.69 2 0 22.60 -999 ? C1 EDO D 126 >GLU~B 25 -5.24 83.20 37.24 -7.00 83.07 38.40 -6.12 83.14 37.82 2 0 25.28 -999 ? O1 EDO D 126 >SER~B 26 -2.73 87.03 38.31 -5.18 86.90 38.42 -3.95 86.96 38.37 2 0 28.83 -999 ? O1 EDO D 126 >GLY~B 27 0.52 87.87 40.11 0.67 87.56 39.38 0.59 87.71 39.74 1 0 30.06 -999 ? C1 EDO D 126 >THR~B 28 4.18 88.66 39.51 4.52 90.61 40.39 4.35 89.63 39.95 2 0 32.91 -999 ? O2 EDO B 125 >GLY~B 29 7.31 86.63 40.26 6.99 87.24 40.73 7.15 86.94 40.49 1 0 29.77 -999 ? C1 EDO C 125 >GLU~B 31 2.90 89.78 43.86 1.02 90.43 43.14 1.96 90.11 43.50 2 0 30.69 -999 ? O2 EDO B 125 >MET?B 32 4.90 84.13 43.72 5.72 81.57 40.34 5.31 82.85 42.03 2 0 24.51 -999 ? C1 EDO C 125 >SER~B 33 8.08 84.28 45.82 10.11 85.32 46.71 9.10 84.80 46.26 2 0 25.64 -999 ? O2 EDO B 125 >ALA.B 34 5.88 84.72 48.90 4.62 85.58 48.94 5.25 85.15 48.92 2 0 23.12 -999 ? O2 EDO B 125 >ALA.B 35 5.11 81.00 48.82 4.13 80.43 47.79 4.62 80.71 48.30 2 0 21.15 -999 ? O2 EDO B 125 >PHE^B 36 8.52 79.31 46.17 6.98 78.11 44.19 7.75 78.71 45.18 3 0 22.24 -999 ? C1 EDO C 125 >HIS^B 37 13.26 78.41 52.59 14.78 78.55 54.02 14.02 78.48 53.30 3 0 18.90 -999 ? O2 EDO B 125 >ASP^B 39 17.64 78.42 50.29 18.61 79.94 51.37 18.12 79.18 50.83 2 0 23.64 -999 ? O2 EDO B 125 >ALA^B 40 13.98 77.05 47.34 12.57 77.55 47.08 13.28 77.30 47.21 2 0 22.73 -999 ? O2 EDO B 125 >THR^B 41 14.94 75.08 44.22 16.06 73.49 45.16 15.50 74.29 44.69 2 0 21.95 -999 ? C1 EDO C 125 >ILE^B 42 12.60 75.41 40.28 12.14 76.25 39.19 12.37 75.83 39.73 3 0 21.64 -999 ? C1 EDO C 125 >PHE^B 43 16.27 70.47 39.68 18.51 70.86 41.30 17.39 70.66 40.49 3 0 21.01 -999 ? C1 EDO C 125 >GLY^B 44 12.61 70.87 35.03 13.38 71.07 34.83 12.99 70.97 34.93 1 0 18.18 -999 ? O2 EDO D 126 >TYR^B 45 14.33 67.95 31.12 16.68 66.56 31.67 15.50 67.25 31.39 3 0 18.88 -999 ? O2 EDO D 126 >VAL^B 46 11.79 72.24 28.43 11.18 74.33 28.55 11.48 73.29 28.49 3 0 20.95 -999 ? C1 EDO D 126 >GLY.B 47 12.37 69.80 25.61 12.65 69.75 26.42 12.51 69.77 26.01 1 0 20.44 -999 ? C1 EDO D 126 >LEU^B 50 18.17 70.62 32.45 17.66 69.74 34.38 17.91 70.18 33.42 3 0 21.94 -999 ? O2 EDO D 126 >ALA^B 51 15.95 74.95 31.52 14.62 75.40 30.93 15.29 75.17 31.22 2 0 23.62 -999 ? O2 EDO D 126 >PHE^B 52 13.18 75.85 35.29 11.44 77.66 34.10 12.31 76.75 34.69 3 0 22.67 -999 ? O2 EDO D 126 >ASN^B 53 19.81 73.53 36.15 20.58 75.47 35.65 20.19 74.50 35.90 2 0 27.03 -999 ? O2 EDO D 126 >GLY^B 54 18.32 74.79 40.65 17.91 75.31 40.19 18.11 75.05 40.42 1 0 24.42 -999 ? C1 EDO C 125 >PRO^B 55 19.98 78.69 39.92 18.17 77.88 40.98 19.08 78.28 40.45 3 0 27.50 -999 ? C1 EDO C 125 >ILE~B 56 13.81 79.48 43.60 13.01 79.43 43.66 13.41 79.46 43.63 3 0 25.09 -999 ? C1 EDO C 125 >LYS~B 57 15.37 83.01 40.94 17.75 87.19 38.42 16.56 85.10 39.68 2 0 34.22 -999 ? C1 EDO C 125 >ASP~B 58 15.49 80.20 36.97 17.58 80.39 36.67 16.53 80.30 36.82 2 0 28.55 -999 ? O2 EDO D 126 >LEU~B 59 10.64 79.90 39.32 8.63 79.11 39.50 9.63 79.51 39.41 3 0 23.74 -999 ? C1 EDO C 125 >TYR~B 60 10.84 84.15 41.68 10.67 82.56 43.95 10.75 83.35 42.81 3 0 27.48 -999 ? C1 EDO C 125 >ASP~B 61 13.78 85.31 35.85 15.12 86.57 36.86 14.45 85.94 36.35 2 0 32.48 -999 ? O2 EDO D 126 >TRP~B 62 9.72 81.04 31.42 6.38 79.87 33.12 8.05 80.45 32.27 3 0 24.32 -999 ? C1 EDO D 126 >HIS~B 63 5.13 84.05 36.86 3.04 84.12 37.00 4.09 84.09 36.93 3 0 26.45 -999 ? C1 EDO D 126 >ASN~B 64 8.94 88.78 35.55 8.63 89.15 37.62 8.79 88.96 36.59 2 0 32.55 -999 ? O2 EDO D 126 >SER~B 65 8.83 87.54 31.25 11.24 87.23 31.35 10.04 87.38 31.30 2 0 31.86 -999 ? C1 EDO D 126 >ASN~B 66 6.02 83.64 30.88 4.75 82.36 29.74 5.38 83.00 30.31 2 0 25.52 -999 ? C1 EDO D 126 >GLY~B 67 3.50 87.09 32.36 3.61 86.28 32.45 3.55 86.68 32.40 1 0 29.41 -999 ? C1 EDO D 126 >PRO.B 68 0.33 88.21 34.97 0.93 86.30 33.94 0.63 87.25 34.45 3 0 29.09 -999 ? C1 EDO D 126 >ALA.B 69 -1.56 82.92 32.93 -1.11 81.48 33.10 -1.34 82.20 33.02 2 0 23.35 -999 ? C1 EDO D 126 >ASN.B 71 -6.62 81.02 30.21 -7.39 82.68 29.11 -7.01 81.85 29.66 2 0 25.62 -999 ? O1 EDO D 126 >VAL.B 72 -4.77 78.69 33.92 -3.26 78.66 35.49 -4.01 78.67 34.70 3 0 20.42 -999 ? O1 EDO D 126 >GLN^B 73 -8.99 76.03 34.43 -10.16 77.16 35.82 -9.57 76.60 35.13 2 0 20.25 -999 ? O1 EDO D 126 >SER^B 74 -4.85 74.74 38.75 -2.71 75.05 39.83 -3.78 74.90 39.29 2 0 17.28 -999 ? O1 EDO D 126 >ARG^B 75 -8.81 72.21 40.34 -9.95 74.13 38.23 -9.38 73.17 39.28 2 0 17.59 -999 ? O1 EDO D 126 >ILE^B 76 -4.11 70.89 45.76 -3.46 71.44 46.97 -3.79 71.17 46.36 3 0 14.78 -999 ? O1 EDO C 125 >THR^B 77 -4.25 66.61 44.01 -3.48 66.35 42.00 -3.87 66.48 43.00 2 0 9.69 -999 ? O1 EDO C 125 >ASN^B 78 -1.13 64.38 46.38 -0.52 62.89 47.79 -0.83 63.64 47.08 2 0 7.41 -999 ? C1 EDO C 125 >ILE^B 79 -2.10 67.65 51.10 -2.45 68.98 51.49 -2.27 68.31 51.30 3 0 14.04 -999 ? C1 EDO C 125 >ASP^B 80 1.80 63.13 51.43 2.10 61.32 52.47 1.95 62.23 51.95 2 0 9.95 -999 ? C2 EDO C 125 >ILE^B 81 0.83 66.43 56.34 0.14 67.63 56.55 0.48 67.03 56.45 3 0 10.99 -999 ? O2 EDO B 125 >VAL^B 82 4.18 64.19 58.34 5.89 62.89 57.96 5.03 63.54 58.15 3 0 11.16 -999 ? O2 EDO B 125 >GLY.B 83 4.91 66.63 61.15 4.83 66.87 60.37 4.87 66.75 60.76 1 0 6.97 -999 ? O2 EDO B 125 >THR.B 84 7.32 69.29 59.94 9.02 68.93 61.22 8.17 69.11 60.58 2 0 8.19 -999 ? O2 EDO B 125 >VAL^B 85 7.59 68.28 56.27 9.46 67.14 56.32 8.53 67.71 56.30 3 0 11.98 -999 ? O2 EDO B 125 >ALA^B 86 5.14 67.42 53.51 3.93 68.32 53.76 4.53 67.87 53.64 2 0 12.99 -999 ? O2 EDO B 125 >HIS^B 87 4.67 64.97 47.87 4.28 64.79 45.81 4.48 64.88 46.84 3 0 8.97 -999 ? C1 EDO C 125 >ALA^B 88 2.13 68.13 47.59 1.71 69.49 48.09 1.92 68.81 47.84 2 0 13.00 -999 ? C1 EDO C 125 >ARG^B 89 1.01 64.91 41.36 1.10 63.10 38.88 1.06 64.01 40.12 2 0 5.75 -999 ? O2 EDO D 126 >VAL^B 90 -0.58 70.39 41.72 -0.69 72.47 42.44 -0.63 71.43 42.08 3 0 13.92 -999 ? C1 EDO C 125 >GLU^B 91 -2.57 67.61 38.31 -0.99 66.74 37.19 -1.78 67.17 37.75 2 0 8.69 -999 ? C1 EDO D 126 >ALA^B 92 -1.90 73.16 35.91 -0.75 74.16 35.99 -1.33 73.66 35.95 2 0 15.94 -999 ? C1 EDO D 126 >GLU^B 93 -4.62 71.13 32.43 -6.35 69.96 32.17 -5.49 70.55 32.30 2 0 12.64 -999 ? O1 EDO D 126 >ASN^B 94 -4.99 76.78 29.85 -5.24 78.25 28.33 -5.12 77.52 29.09 2 0 21.34 -999 ? O1 EDO D 126 >TRP^B 95 1.91 79.36 32.90 2.72 78.60 36.67 2.32 78.98 34.78 3 0 21.07 -999 ? C1 EDO D 126 >THR.B 96 -0.17 80.20 28.86 1.59 81.15 29.69 0.71 80.68 29.27 2 0 23.79 -999 ? C1 EDO D 126 >ASN.B 97 -0.77 77.49 25.47 -1.61 76.16 24.02 -1.19 76.82 24.75 2 0 21.23 -999 ? C1 EDO D 126 >PHE^B 98 3.37 76.34 28.73 4.95 77.94 27.10 4.16 77.14 27.91 3 0 21.06 -999 ? C1 EDO D 126 >LYS^B 99 0.26 71.89 31.01 -2.70 67.72 32.64 -1.22 69.81 31.83 2 0 9.84 -999 ? O1 EDO D 126 >PHE^B 100 3.50 73.48 33.88 4.57 75.38 32.15 4.03 74.43 33.01 3 0 17.22 -999 ? C1 EDO D 126 >SER^B 101 2.55 68.68 36.93 1.41 66.80 35.91 1.98 67.74 36.42 2 0 9.00 -999 ? C1 EDO D 126 >ASP^B 102 3.72 71.58 40.46 4.17 73.08 39.04 3.95 72.33 39.75 2 0 15.99 -999 ? O2 EDO D 126 >LEU^B 103 6.41 66.72 42.38 5.52 65.04 41.33 5.96 65.88 41.85 3 0 9.64 -999 ? C1 EDO C 125 >PHE^B 104 4.99 71.93 45.22 4.14 73.64 43.19 4.56 72.79 44.21 3 0 15.62 -999 ? C1 EDO C 125 >LEU^B 105 9.75 68.87 49.20 10.27 66.81 48.72 10.01 67.84 48.96 3 0 14.81 -999 ? C2 EDO C 125 >LEU^B 106 5.77 71.98 52.12 4.20 72.07 50.61 4.99 72.03 51.36 3 0 15.34 -999 ? O2 EDO B 125 >LEU^B 107 10.00 73.20 55.30 11.59 73.13 56.77 10.80 73.16 56.04 3 0 13.29 -999 ? O2 EDO B 125 >LYS^B 108 6.81 74.05 58.53 2.18 72.78 62.74 4.50 73.41 60.63 2 0 4.41 -999 ? O2 EDO B 125 >LEU^B 109 9.94 77.65 57.89 11.97 78.42 57.69 10.96 78.03 57.79 3 0 13.92 -999 ? O2 EDO B 125 >GLY.B 111 4.98 77.08 62.35 5.34 77.35 61.68 5.16 77.21 62.02 1 0 7.91 -999 ? O2 EDO B 125 >TRP^B 113 1.80 74.24 57.40 4.00 70.99 57.07 2.90 72.62 57.23 3 0 9.49 -999 ? O2 EDO B 125 >THR^B 114 6.44 77.07 52.89 8.31 78.15 53.04 7.37 77.61 52.97 2 0 16.31 -999 ? O2 EDO B 125 >ILE^B 115 6.98 75.71 48.27 6.10 75.45 47.18 6.54 75.58 47.73 3 0 19.40 -999 ? C1 EDO C 125 >VAL^B 116 11.27 74.46 49.76 11.45 73.45 51.72 11.36 73.96 50.74 3 0 18.15 -999 ? O2 EDO B 125 >ASN^B 117 12.02 70.94 46.95 13.39 71.01 48.58 12.70 70.98 47.76 2 0 19.04 -999 ? C2 EDO C 125 >LYS^B 118 9.82 72.17 43.19 6.85 75.86 39.03 8.34 74.02 41.11 2 0 19.41 -999 ? O2 EDO D 126 >VAL^B 119 10.13 69.85 40.21 10.88 68.00 41.10 10.50 68.92 40.66 3 0 14.87 -999 ? C1 EDO C 125 >PHE^B 120 8.30 71.98 35.90 9.93 73.31 34.08 9.12 72.64 34.99 3 0 17.50 -999 ? O2 EDO D 126 >HIS^B 121 6.50 65.82 32.78 6.49 64.84 30.92 6.49 65.33 31.85 3 0 11.16 -999 ? C1 EDO D 126 >LEU^B 122 6.59 70.80 30.08 5.81 72.26 28.66 6.20 71.53 29.37 3 0 16.43 -999 ? C1 EDO D 126 >HIS.B 123 1.67 66.77 31.04 1.45 65.90 32.93 1.56 66.33 31.99 3 0 9.25 -999 ? C1 EDO D 126 >ALA.B 124 3.74 66.67 25.48 4.28 65.36 24.94 4.01 66.02 25.21 2 0 13.85 -999 ? C1 EDO D 126 >GLY.C 0 8.37 64.82 24.74 8.57 64.16 24.27 8.47 64.49 24.50 1 0 15.86 -999 ? C1 EDO D 126 >MET?C 1 8.18 61.87 27.10 11.39 60.17 26.97 9.78 61.02 27.04 2 0 14.34 -999 ? O1 EDO A 125 >SER.C 2 5.04 59.92 28.04 3.63 57.96 28.23 4.33 58.94 28.14 2 0 8.74 -999 ? C1 EDO D 126 >VAL.C 3 3.97 60.01 31.72 2.81 61.85 31.97 3.39 60.93 31.84 3 0 6.51 -999 ? C1 EDO D 126 >LYS.C 4 2.44 56.54 31.68 1.06 52.57 27.33 1.75 54.56 29.50 2 0 6.25 -999 ? C1 EDO A 125 >VAL.C 5 4.01 54.77 34.64 3.69 55.07 36.77 3.85 54.92 35.71 3 0 -4.76 -999 ? O2 EDO D 126s >SER~C 6 6.33 51.92 33.69 8.38 52.91 32.88 7.35 52.41 33.28 2 0 7.61 -999 ? O1 EDO A 125 >VAL~C 7 7.98 49.13 35.69 7.65 46.98 35.99 7.81 48.06 35.84 3 0 7.65 -999 ? O1 EDO A 125 >ASP~C 8 11.42 50.62 32.63 13.43 51.01 32.12 12.42 50.81 32.38 2 0 9.81 -999 ? O1 EDO A 125 >ASP~C 9 10.09 54.83 35.36 10.60 55.83 33.57 10.34 55.33 34.47 2 0 11.09 -999 ? O2 EDO D 126 >ILE~C 10 8.65 51.23 39.08 7.43 50.74 39.53 8.04 50.99 39.31 3 0 8.38 -999 ? O2 EDO C 125 >ASP~C 11 13.20 48.96 38.07 11.99 47.26 38.36 12.60 48.11 38.22 2 0 11.93 -999 ? O1 EDO A 125 >GLY~C 12 15.20 52.91 38.16 14.68 52.83 38.82 14.94 52.87 38.49 1 0 14.31 -999 ? O2 EDO C 125 >ILE~C 13 12.56 55.58 41.23 11.64 56.63 41.34 12.10 56.11 41.29 3 0 10.28 -999 ? O2 EDO C 125 >THR~C 14 13.94 51.96 43.40 12.79 50.16 43.64 13.36 51.06 43.52 2 0 12.04 -999 ? O2 EDO C 125 >GLU~C 15 19.38 50.60 40.77 19.90 50.28 38.75 19.64 50.44 39.76 2 0 18.23 -999 ? O1 EDO A 125 >VAL~C 16 18.78 54.89 43.25 18.18 56.93 42.74 18.48 55.91 42.99 3 0 16.50 -999 ? O2 EDO C 125 >LEU~C 17 15.21 54.67 46.53 13.84 56.35 46.41 14.53 55.51 46.47 3 0 13.01 -999 ? O2 EDO C 125 >ASN~C 18 18.61 50.32 46.17 16.87 49.08 46.20 17.74 49.70 46.19 2 0 16.50 -999 ? O2 EDO C 125 >VAL~C 19 21.89 53.30 46.74 23.03 54.13 45.09 22.46 53.72 45.92 3 0 20.75 -999 ? O2 EDO C 125 >TYR~C 20 19.15 57.32 50.62 18.33 58.60 52.95 18.74 57.96 51.78 3 0 18.77 -999 ? C2 EDO C 125 >MET?C 21 19.25 52.98 51.85 15.10 52.09 50.93 17.18 52.54 51.39 2 0 15.68 -999 ? O2 EDO C 125 >ASN~C 22 22.70 49.96 50.29 21.25 48.58 49.56 21.98 49.27 49.93 2 0 21.48 -999 ? O2 EDO C 125 >ALA~C 23 24.81 53.48 52.09 24.97 54.71 51.21 24.89 54.10 51.65 2 0 24.38 -999 ? C2 EDO C 125 >ALA~C 24 22.73 54.53 55.08 21.23 54.76 55.08 21.98 54.64 55.08 2 0 22.55 -999 ? C2 EDO C 125 >GLU~C 25 22.67 48.58 56.85 21.61 46.92 56.10 22.14 47.75 56.47 2 0 25.08 -999 ? O2 EDO C 125 >SER~C 26 26.80 50.28 55.49 25.76 48.11 55.06 26.28 49.19 55.27 2 0 27.64 -999 ? O2 EDO C 125 >GLY.C 27 28.38 52.95 53.28 28.10 53.21 53.97 28.24 53.08 53.63 1 0 28.43 -999 ? O2 EDO C 125 >THR~C 28 30.13 56.30 53.68 32.06 56.12 52.72 31.10 56.21 53.20 2 0 31.53 -999 ? C2 EDO C 125 >GLY~C 29 28.75 59.74 52.88 29.26 59.27 52.42 29.00 59.51 52.65 1 0 28.58 -999 ? C2 EDO C 125 >GLU~C 31 30.56 54.60 49.44 30.86 52.85 50.58 30.71 53.72 50.01 2 0 29.96 -999 ? O2 EDO C 125 >MET?C 32 25.56 57.92 49.65 23.32 59.49 52.99 24.44 58.71 51.32 2 0 23.56 -999 ? C2 EDO C 125 >SER~C 33 26.07 60.92 47.36 28.44 61.34 46.92 27.25 61.13 47.14 2 0 27.18 -999 ? C2 EDO C 125 >ALA.C 34 26.10 58.61 44.35 26.70 57.21 44.32 26.40 57.91 44.33 2 0 24.81 -999 ? O2 EDO C 125 >ALA.C 35 22.32 58.64 44.66 21.60 57.92 45.80 21.96 58.28 45.23 2 0 19.90 -999 ? C2 EDO C 125 >PHE^C 36 21.60 62.52 47.01 20.19 61.40 49.14 20.90 61.96 48.08 3 0 20.24 -999 ? C2 EDO C 125 >HIS^C 37 21.60 66.85 40.22 22.08 68.17 38.66 21.84 67.51 39.44 3 0 23.13 -999 ? C2 EDO C 125 >ASP^C 39 22.78 71.36 42.27 24.49 72.04 41.23 23.63 71.70 41.75 2 0 27.47 -999 ? C2 EDO C 125 >ALA^C 40 20.78 68.26 45.49 20.91 66.78 45.80 20.84 67.52 45.64 2 0 21.67 -999 ? C2 EDO C 125 >THR^C 41 19.42 69.81 48.69 18.19 71.34 47.76 18.80 70.57 48.22 2 0 22.33 -999 ? C2 EDO C 125 >ILE^C 42 19.04 67.67 52.71 19.80 67.13 53.85 19.42 67.40 53.28 3 0 21.33 -999 ? O2 EDO B 125 >PHE^C 43 15.34 72.48 53.40 16.25 74.55 51.77 15.79 73.51 52.58 3 0 19.12 -999 ? O2 EDO B 125 >GLY^C 44 15.02 69.04 58.17 15.45 69.72 58.31 15.24 69.38 58.24 1 0 14.71 -999 ? O2 EDO B 125 >TYR^C 45 12.89 71.74 62.09 12.16 74.36 61.50 12.53 73.05 61.79 3 0 10.86 -999 ? O1 EDO B 125 >VAL^C 46 16.41 68.29 64.79 18.22 67.09 64.72 17.32 67.69 64.75 3 0 13.48 -999 ? O1 EDO B 125 >GLY.C 47 14.39 69.64 67.68 14.37 69.88 66.85 14.38 69.76 67.27 1 0 9.70 -999 ? O1 EDO B 125 >ASP.C 48 13.67 74.33 68.43 12.33 73.67 69.92 13.00 74.00 69.18 2 0 8.26 -999 ? O1 EDO B 125 >LYS^C 49 16.86 73.89 65.10 23.00 73.09 64.23 19.93 73.49 64.67 2 0 19.00 -999 ? O1 EDO B 125 >ALA^C 51 19.98 71.44 61.27 20.16 70.13 62.03 20.07 70.79 61.65 2 0 16.86 -999 ? O1 EDO B 125 >PHE^C 52 20.03 68.46 57.65 21.57 66.47 58.85 20.80 67.47 58.25 3 0 19.48 -999 ? O1 EDO B 125 >ASN^C 53 19.03 75.35 56.38 21.06 75.86 56.78 20.04 75.60 56.58 2 0 21.03 -999 ? O1 EDO B 125 >GLY^C 54 19.91 73.46 51.92 20.27 72.91 52.39 20.09 73.18 52.15 1 0 22.50 -999 ? O2 EDO B 125 >PRO^C 55 24.16 74.03 52.38 22.82 72.43 51.54 23.49 73.23 51.96 3 0 25.25 -999 ? O2 EDO B 125 >ILE~C 56 23.09 67.63 49.24 22.85 66.86 49.20 22.97 67.25 49.22 3 0 24.26 -999 ? C2 EDO C 125 >LYS~C 57 27.00 68.42 51.74 31.86 69.85 53.88 29.43 69.13 52.81 2 0 28.69 -999 ? O1 EDO E 126 >ASP~C 58 24.69 69.51 55.84 25.43 71.48 55.76 25.06 70.49 55.80 2 0 24.51 -999 ? O1 EDO B 125 >LEU~C 59 23.05 64.75 53.61 21.82 62.94 53.65 22.43 63.85 53.63 3 0 23.95 -999 ? C2 EDO C 125 >TYR~C 60 27.09 63.69 51.21 25.46 63.81 48.96 26.28 63.75 50.08 3 0 26.22 -999 ? C2 EDO C 125 >ASP~C 61 29.41 66.48 56.77 30.41 67.41 55.16 29.91 66.95 55.96 2 0 29.25 -999 ? O1 EDO B 125 >TRP~C 62 24.34 64.18 61.66 22.23 61.06 60.55 23.28 62.62 61.11 3 0 21.55 -999 ? O1 EDO B 125 >HIS~C 63 25.97 58.52 56.28 25.71 56.45 56.13 25.84 57.49 56.20 3 0 27.06 -999 ? C2 EDO C 125 >ASN~C 64 31.36 61.17 57.47 31.64 60.65 55.41 31.50 60.91 56.44 2 0 31.62 -999 ? O1 EDO B 125 >ASN~C 66 26.06 59.90 62.54 24.56 58.88 63.68 25.31 59.39 63.11 2 0 23.49 -999 ? O1 EDO B 125 >GLY.C 67 28.63 56.51 60.93 27.85 56.78 60.91 28.24 56.65 60.92 1 0 28.74 -999 ? O1 EDO B 125 >PRO.C 68 28.85 52.98 58.58 27.18 54.09 59.59 28.02 53.54 59.08 3 0 30.37 -999 ? O1 EDO B 125 >ALA.C 69 23.39 52.47 60.85 22.12 53.30 60.67 22.75 52.88 60.76 2 0 25.74 -999 ? O1 EDO B 125 >ASN.C 71 20.28 48.22 64.06 21.78 47.12 65.08 21.03 47.67 64.57 2 0 29.10 -999 ? O1 EDO B 125 >VAL.C 72 18.44 50.33 60.21 18.80 51.76 58.59 18.62 51.05 59.40 3 0 23.65 -999 ? C2 EDO C 125 >GLN^C 73 14.88 47.13 60.10 15.92 45.72 58.89 15.40 46.42 59.49 2 0 23.25 -999 ? O2 EDO C 125 >SER^C 74 14.22 51.26 55.58 16.33 51.33 54.37 15.27 51.30 54.97 2 0 18.75 -999 ? O2 EDO C 125 >ARG^C 75 10.77 47.86 54.20 12.53 46.28 56.15 11.65 47.07 55.17 2 0 19.17 -999 ? O2 EDO C 125 >ILE^C 76 10.44 52.39 48.72 11.14 52.69 47.55 10.79 52.54 48.14 3 0 10.59 -999 ? O2 EDO C 125 >THR^C 77 6.26 53.30 50.62 6.31 54.26 52.56 6.29 53.78 51.59 2 0 10.22 -999 ? C2 EDO C 125 >ASN^C 78 4.86 56.86 48.32 3.41 57.73 47.00 4.14 57.30 47.66 2 0 -3.81 -999 ? C2 EDO C 125s >ILE^C 79 7.58 55.06 43.58 8.79 54.40 43.14 8.18 54.73 43.36 3 0 -6.25 -999 ? O2 EDO C 125s >ASP^C 80 4.10 59.92 42.92 2.52 60.76 41.79 3.31 60.34 42.36 2 0 -3.60 -999 ? C1 EDO C 125s >ILE^C 81 6.98 57.88 38.07 8.09 56.99 37.88 7.53 57.44 37.98 3 0 7.34 -999 ? O2 EDO D 126 >VAL^C 82 5.34 61.65 36.02 4.68 63.70 36.47 5.01 62.67 36.24 3 0 6.94 -999 ? O2 EDO D 126 >GLY.C 83 7.55 61.46 32.95 7.89 61.37 33.67 7.72 61.42 33.31 1 0 9.20 -999 ? O2 EDO D 126 >THR.C 84 10.85 63.10 33.79 10.82 64.60 32.23 10.83 63.85 33.01 2 0 13.53 -999 ? O2 EDO D 126 >VAL^C 85 10.34 63.84 37.49 9.54 65.88 37.28 9.94 64.86 37.39 3 0 12.05 -999 ? O2 EDO D 126 >ALA^C 86 9.00 61.96 40.51 9.49 60.53 40.28 9.25 61.24 40.40 2 0 9.21 -999 ? C2 EDO C 125 >HIS^C 87 6.82 62.33 46.26 6.67 62.12 48.34 6.74 62.22 47.30 3 0 8.24 -999 ? C2 EDO C 125 >ALA^C 88 9.19 59.04 46.61 10.42 58.33 46.09 9.81 58.69 46.35 2 0 9.05 -999 ? C2 EDO C 125 >ARG^C 89 5.99 59.07 52.95 4.53 59.88 55.54 5.26 59.47 54.25 2 0 12.57 -999 ? C2 EDO C 125 >VAL^C 90 10.90 56.13 52.52 12.88 55.51 51.78 11.89 55.82 52.15 3 0 13.15 -999 ? C2 EDO C 125 >GLU^C 91 7.89 55.08 56.19 7.46 56.87 57.23 7.67 55.97 56.71 2 0 14.66 -999 ? C2 EDO C 125 >ALA^C 92 13.51 54.40 58.30 14.77 55.24 58.07 14.14 54.82 58.18 2 0 19.38 -999 ? C2 EDO C 125 >GLU^C 93 11.22 52.45 62.16 9.68 51.00 62.32 10.45 51.72 62.24 2 0 20.99 -999 ? C2 EDO C 125 >ASN^C 94 16.73 50.89 64.47 17.97 50.39 66.14 17.35 50.64 65.31 2 0 24.15 -999 ? O1 EDO B 125 >TRP^C 95 20.79 56.64 60.77 19.95 57.63 57.07 20.37 57.13 58.92 3 0 22.80 -999 ? O1 EDO B 125 >THR.C 96 21.25 54.81 64.98 22.65 56.20 64.02 21.95 55.51 64.50 2 0 23.36 -999 ? O1 EDO B 125 >ASN.C 97 18.78 55.07 68.53 20.13 53.54 69.15 19.45 54.30 68.84 2 0 22.81 -999 ? O1 EDO B 125 >PHE^C 98 18.21 59.32 65.04 20.22 60.71 66.40 19.22 60.01 65.72 3 0 18.08 -999 ? O1 EDO B 125 >LYS^C 99 13.09 57.14 63.31 8.34 54.91 62.05 10.71 56.03 62.68 2 0 17.20 -999 ? O2 EDO B 125 >PHE^C 100 15.36 59.88 60.06 17.52 60.88 61.50 16.44 60.38 60.78 3 0 17.42 -999 ? O1 EDO B 125 >SER^C 101 10.29 59.83 57.43 8.18 59.38 58.58 9.24 59.61 58.00 2 0 14.72 -999 ? O2 EDO B 125 >ASP^C 102 13.09 59.96 53.61 14.80 60.20 54.82 13.94 60.08 54.22 2 0 17.44 -999 ? C2 EDO C 125 >LEU^C 103 9.31 63.87 51.60 7.41 63.62 52.61 8.36 63.75 52.10 3 0 12.78 -999 ? C2 EDO C 125 >PHE^C 104 13.51 60.90 48.62 15.09 59.78 50.60 14.30 60.34 49.61 3 0 14.26 -999 ? C2 EDO C 125 >LEU^C 105 11.77 66.11 44.42 9.88 67.16 44.84 10.82 66.64 44.63 3 0 13.40 -999 ? C1 EDO C 125 >LEU^C 106 13.76 61.41 41.80 13.67 59.95 43.39 13.72 60.68 42.59 3 0 12.57 -999 ? C2 EDO C 125 >LEU^C 107 15.72 65.17 38.22 15.98 66.60 36.59 15.85 65.88 37.41 3 0 17.62 -999 ? O2 EDO D 126 >LYS^C 108 15.49 61.55 35.32 13.01 57.19 31.44 14.25 59.37 33.38 2 0 12.90 -999 ? O1 EDO A 125 >LEU^C 109 19.86 63.54 35.50 21.12 65.31 35.44 20.49 64.43 35.47 3 0 21.39 -999 ? O2 EDO D 126 >GLY.C 111 17.80 58.90 31.06 18.13 59.15 31.74 17.97 59.03 31.40 1 0 17.36 -999 ? O1 EDO A 125 >TRP^C 113 14.40 56.78 36.70 11.86 59.75 37.01 13.13 58.26 36.86 3 0 12.90 -999 ? O2 EDO D 126 >THR^C 114 18.74 60.68 40.63 20.19 62.25 40.31 19.46 61.47 40.47 2 0 19.46 -999 ? C2 EDO C 125 >ILE^C 115 17.82 61.88 45.24 17.40 61.26 46.48 17.61 61.57 45.86 3 0 16.64 -999 ? C2 EDO C 125 >VAL^C 116 17.49 66.17 43.56 16.48 66.60 41.64 16.99 66.38 42.60 3 0 18.01 -999 ? C2 EDO C 125 >ASN^C 117 14.36 68.01 46.47 14.73 69.40 44.91 14.54 68.70 45.69 2 0 18.15 -999 ? C2 EDO C 125 >LYS^C 118 15.22 65.61 50.21 17.12 62.58 54.67 16.17 64.10 52.44 2 0 19.71 -999 ? C2 EDO C 125 >VAL^C 119 13.27 66.62 53.31 11.69 67.86 52.39 12.48 67.24 52.85 3 0 16.97 -999 ? O2 EDO B 125 >PHE^C 120 14.91 64.51 57.66 16.73 65.85 59.30 15.82 65.18 58.48 3 0 16.08 -999 ? O2 EDO B 125 >HIS^C 121 8.75 64.59 61.24 7.95 64.89 63.16 8.35 64.74 62.20 3 0 9.06 -999 ? O2 EDO B 125 >LEU^C 122 13.81 63.91 63.64 15.14 62.84 64.98 14.47 63.37 64.31 3 0 12.84 -999 ? O1 EDO B 125 >HIS.C 123 8.81 59.78 63.35 7.60 59.57 61.65 8.21 59.68 62.50 3 0 12.79 -999 ? O2 EDO B 125 >ALA.C 124 9.70 62.44 68.56 8.70 63.45 69.08 9.20 62.94 68.82 2 0 7.99 -999 ? O1 EDO B 125 >GLY.D 0 -7.87 54.15 23.29 -8.28 54.90 23.16 -8.07 54.53 23.22 1 0 -12.34 -999 ? O1 EDO A 127s >MET?D 1 -8.09 56.13 26.51 -10.33 56.10 30.21 -9.21 56.12 28.36 2 0 -9.52 -999 ? O1 EDO D 126s >SER.D 2 -5.27 58.24 27.95 -3.87 60.22 28.17 -4.57 59.23 28.06 2 0 7.68 -999 ? O1 EDO D 126 >VAL.D 3 -4.41 58.05 31.68 -3.32 56.16 31.97 -3.87 57.11 31.83 3 0 -4.05 -999 ? O1 EDO D 126s >LYS.D 4 -2.92 61.55 31.62 -2.70 65.55 27.21 -2.81 63.55 29.41 2 0 11.03 -999 ? O1 EDO D 126 >VAL.D 5 -4.42 63.21 34.70 -3.99 62.93 36.82 -4.20 63.07 35.76 3 0 4.98 -999 ? O1 EDO D 126 >SER~D 6 -6.80 66.00 33.68 -8.86 64.94 32.88 -7.83 65.47 33.28 2 0 9.39 -999 ? O1 EDO D 126 >VAL~D 7 -8.38 68.89 35.55 -8.00 71.03 35.80 -8.19 69.96 35.67 3 0 12.85 -999 ? O1 EDO D 126 >ASP~D 8 -11.87 67.01 32.76 -13.81 66.21 32.44 -12.84 66.61 32.60 2 0 13.94 -999 ? O1 EDO D 126 >ASP~D 9 -10.35 63.12 35.67 -11.09 62.05 34.01 -10.72 62.58 34.84 2 0 9.26 -999 ? O1 EDO D 126 >ILE~D 10 -8.88 67.03 39.26 -7.62 67.50 39.71 -8.25 67.26 39.49 3 0 11.22 -999 ? O1 EDO D 126 >ASP~D 11 -13.53 69.14 38.16 -12.28 70.83 38.32 -12.91 69.98 38.24 2 0 15.97 -999 ? O1 EDO D 126 >GLY~D 12 -15.47 65.12 38.53 -14.91 65.21 39.16 -15.19 65.16 38.85 1 0 14.73 -999 ? O1 EDO D 126 >ILE~D 13 -12.59 62.67 41.54 -11.63 61.72 41.60 -12.11 62.19 41.57 3 0 11.79 -999 ? O1 EDO D 126 >THR~D 14 -14.03 66.32 43.66 -12.93 68.17 43.80 -13.48 67.25 43.73 2 0 16.40 -999 ? O1 EDO D 126 >GLU~D 15 -19.69 67.23 41.23 -20.30 67.53 39.23 -20.00 67.38 40.23 2 0 20.16 -999 ? O1 EDO D 126 >VAL~D 16 -18.86 63.36 43.87 -18.27 61.28 43.50 -18.56 62.32 43.69 3 0 15.93 -999 ? CL CL D 125 >LEU~D 17 -15.14 63.82 46.98 -13.66 62.25 46.77 -14.40 63.03 46.88 3 0 13.83 -999 ? CL CL D 125 >ASN~D 18 -18.41 68.12 46.86 -16.60 69.26 46.88 -17.51 68.69 46.87 2 0 17.14 -999 ? CL CL D 125 >VAL~D 19 -21.75 65.12 47.43 -22.93 64.21 45.83 -22.34 64.66 46.63 3 0 14.90 -999 ? CL CL D 125 >TYR~D 20 -19.03 61.19 51.41 -18.06 60.11 53.79 -18.54 60.65 52.60 3 0 7.13 -999 ? CL CL D 125 >MET?D 21 -18.97 65.54 52.39 -14.87 66.58 51.51 -16.92 66.06 51.95 2 0 12.48 -999 ? CL CL D 125 >ASN~D 22 -22.49 68.43 50.76 -21.31 70.13 50.23 -21.90 69.28 50.50 2 0 15.97 -999 ? CL CL D 125 >ALA~D 23 -24.44 64.95 53.06 -24.71 63.69 52.25 -24.57 64.32 52.66 2 0 11.36 -999 ? CL CL D 125 >ALA~D 24 -22.19 64.19 56.03 -20.70 63.95 55.97 -21.45 64.07 56.00 2 0 7.92 -999 ? CL CL D 125 >GLU~D 25 -22.00 70.28 57.21 -21.23 71.91 56.09 -21.61 71.10 56.65 2 0 15.50 -999 ? CL CL D 125 >SER~D 26 -26.25 68.56 56.23 -25.25 70.74 55.81 -25.75 69.65 56.02 2 0 15.76 -999 ? CL CL D 125 >GLY~D 27 -27.92 65.58 54.55 -27.63 65.36 55.25 -27.78 65.47 54.90 1 0 13.63 -999 ? CL CL D 125 >THR~D 28 -29.48 62.17 55.04 -31.50 62.43 54.32 -30.49 62.30 54.68 2 0 15.01 -999 ? CL CL D 125 >GLY~D 29 -28.23 58.68 54.21 -28.79 59.10 53.78 -28.51 58.89 53.99 1 0 11.09 -999 ? CL CL D 125 >GLU~D 30 -32.67 57.73 51.67 -32.81 57.82 53.79 -32.74 57.78 52.73 2 0 15.40 -999 ? CL CL D 125 >GLU~D 31 -30.37 63.88 50.45 -30.76 65.43 51.83 -30.56 64.65 51.14 2 0 16.61 -999 ? CL CL D 125 >MET?D 32 -25.36 60.59 50.77 -23.05 59.10 54.05 -24.21 59.84 52.41 2 0 7.02 -999 ? CL CL D 125 >SER~D 33 -26.02 57.48 48.67 -28.40 57.09 48.33 -27.21 57.29 48.50 2 0 14.51 -999 ? CL CL D 125 >ALA.D 34 -26.04 59.66 45.54 -26.67 61.05 45.45 -26.35 60.35 45.50 2 0 16.21 -999 ? CL CL D 125 >ALA.D 35 -22.25 59.66 45.61 -21.45 60.39 46.69 -21.85 60.02 46.15 2 0 12.88 -999 ? CL CL D 125 >PHE^D 36 -21.60 55.87 48.19 -20.20 57.02 50.29 -20.90 56.44 49.24 3 0 9.82 -999 ? CL CL D 125 >HIS^D 37 -21.68 51.04 41.77 -22.21 49.53 40.41 -21.94 50.29 41.09 3 0 14.42 -999 ? O1 EDO A 126 >LYS^D 38 -25.57 50.80 43.99 -26.85 46.43 40.81 -26.21 48.62 42.40 2 0 13.96 -999 ? O1 EDO A 126 >ASP^D 39 -22.97 46.86 43.99 -24.71 46.06 43.13 -23.84 46.46 43.56 2 0 11.54 -999 ? O1 EDO A 126 >ALA^D 40 -20.74 50.04 46.94 -20.86 51.53 47.19 -20.80 50.79 47.07 2 0 12.95 -999 ? CL CL D 125 >THR^D 41 -19.08 48.70 50.09 -17.83 47.21 49.14 -18.46 47.95 49.62 2 0 10.04 -999 ? O1 EDO A 126 >ILE^D 42 -18.62 50.98 54.04 -19.30 51.56 55.20 -18.96 51.27 54.62 3 0 7.00 -999 ? CL CL D 125 >PHE^D 43 -14.92 46.26 54.77 -15.99 44.03 53.50 -15.46 45.14 54.13 3 0 11.08 -999 ? O1 EDO A 126 >GLY^D 44 -14.32 49.88 59.35 -14.74 49.21 59.52 -14.53 49.55 59.43 1 0 8.08 -999 ? CL CL D 125 >TYR^D 45 -12.01 47.33 63.25 -11.18 44.75 62.63 -11.59 46.04 62.94 3 0 13.44 -999 ? CL CL D 125 >VAL^D 46 -15.60 50.88 65.88 -17.50 51.90 65.90 -16.55 51.39 65.89 3 0 9.25 -999 ? CL CL D 125 >GLY.D 47 -13.26 49.83 68.65 -13.27 49.55 67.83 -13.27 49.69 68.24 1 0 13.22 -999 ? CL CL D 125 >ASP.D 48 -11.73 45.35 69.33 -12.92 45.05 71.05 -12.33 45.20 70.19 2 0 17.95 -999 ? CL CL D 125 >LYS^D 49 -15.81 45.46 66.61 -21.98 46.59 66.16 -18.89 46.03 66.38 2 0 13.30 -999 ? CL CL D 125 >LEU^D 50 -15.65 44.25 61.89 -14.91 44.39 59.83 -15.28 44.32 60.86 3 0 13.13 -999 ? CL CL D 125 >ALA^D 51 -19.18 47.59 62.79 -19.26 48.97 63.43 -19.22 48.28 63.11 2 0 9.33 -999 ? CL CL D 125 >PHE^D 52 -19.50 50.39 59.02 -21.01 52.43 60.18 -20.26 51.41 59.60 3 0 5.95 -999 ? CL CL D 125 >ASN^D 53 -18.64 43.46 58.05 -20.69 43.03 58.45 -19.66 43.24 58.25 2 0 13.66 -999 ? O1 EDO A 126 >GLY^D 54 -19.50 45.18 53.52 -19.87 45.73 53.98 -19.69 45.46 53.75 1 0 10.65 -999 ? O1 EDO A 126 >PRO^D 55 -23.71 44.49 54.12 -22.46 46.10 53.16 -23.09 45.30 53.64 3 0 11.99 -999 ? O1 EDO A 126 >ILE~D 56 -22.82 50.82 50.77 -22.64 51.61 50.69 -22.73 51.22 50.73 3 0 10.77 -999 ? CL CL D 125 >ASP~D 58 -24.09 49.18 57.44 -24.81 47.19 57.40 -24.45 48.18 57.42 2 0 11.82 -999 ? CL CL D 125 >LEU~D 59 -22.53 53.90 55.15 -21.28 55.69 55.15 -21.90 54.79 55.15 3 0 5.52 -999 ? CL CL D 125 >TYR~D 60 -26.74 54.74 52.73 -25.21 54.54 50.41 -25.97 54.64 51.57 3 0 10.75 -999 ? CL CL D 125 >ASP~D 61 -28.94 52.24 58.38 -30.28 51.43 56.96 -29.61 51.84 57.67 2 0 13.35 -999 ? CL CL D 125 >TRP~D 62 -23.63 54.94 62.91 -21.54 57.95 61.51 -22.58 56.45 62.21 3 0 5.63 -999 ? CL CL D 125 >HIS~D 63 -25.30 60.29 57.54 -24.90 62.34 57.41 -25.10 61.32 57.47 3 0 8.24 -999 ? CL CL D 125 >ASN~D 64 -30.67 57.73 58.94 -30.95 58.21 56.89 -30.81 57.97 57.91 2 0 12.90 -999 ? CL CL D 125 >SER~D 65 -29.51 57.56 63.31 -30.06 55.19 63.31 -29.79 56.38 63.31 2 0 12.82 -999 ? CL CL D 125 >ASN~D 66 -25.00 59.29 63.84 -23.59 60.36 65.02 -24.29 59.82 64.43 2 0 8.99 -999 ? CL CL D 125 >GLY~D 67 -27.75 62.56 62.26 -26.98 62.30 62.15 -27.37 62.43 62.20 1 0 11.63 -999 ? CL CL D 125 >PRO.D 68 -28.30 65.87 59.64 -26.52 64.92 60.63 -27.41 65.39 60.13 3 0 12.57 -999 ? CL CL D 125 >ALA.D 69 -22.66 66.54 61.54 -21.39 65.75 61.28 -22.03 66.15 61.41 2 0 9.73 -999 ? CL CL D 125 >ASN.D 71 -19.57 71.08 64.29 -21.18 72.05 65.29 -20.37 71.57 64.79 2 0 16.77 -999 ? CL CL D 125 >VAL.D 72 -17.85 68.55 60.70 -18.23 67.13 59.09 -18.04 67.84 59.89 3 0 10.98 -999 ? CL CL D 125 >GLN^D 73 -14.36 71.77 60.32 -14.85 73.45 59.09 -14.61 72.61 59.71 2 0 16.87 -999 ? CL CL D 125 >SER^D 74 -13.85 67.62 55.79 -15.83 66.24 56.05 -14.84 66.93 55.92 2 0 9.97 -999 ? CL CL D 125 >ARG^D 75 -10.38 70.93 54.32 -12.03 72.55 56.33 -11.21 71.74 55.33 2 0 16.97 -999 ? CL CL D 125 >ILE^D 76 -10.25 66.14 48.93 -10.95 65.72 47.78 -10.60 65.93 48.35 3 0 14.58 -999 ? O1 EDO C 125 >THR^D 77 -6.05 65.19 50.67 -6.04 64.37 52.68 -6.05 64.78 51.67 2 0 13.45 -999 ? O1 EDO C 125 >ASN^D 78 -4.66 61.65 48.29 -3.34 60.67 46.92 -4.00 61.16 47.60 2 0 6.15 -999 ? O1 EDO C 125 >ILE^D 79 -7.59 63.29 43.57 -8.85 63.91 43.17 -8.22 63.60 43.37 3 0 10.19 -999 ? O1 EDO C 125 >ASP^D 80 -4.17 58.42 43.19 -2.53 57.62 42.14 -3.35 58.02 42.66 2 0 -2.39 -999 ? O1 EDO C 125s >ILE^D 81 -7.16 60.24 38.27 -8.24 61.18 38.07 -7.70 60.71 38.17 3 0 -6.10 -999 ? O1 EDO D 126s >VAL^D 82 -5.72 56.46 36.29 -4.85 54.47 36.64 -5.29 55.47 36.47 3 0 -3.92 -999 ? O1 EDO D 126s >GLY.D 83 -8.16 56.31 33.39 -8.35 56.46 34.16 -8.26 56.39 33.78 1 0 6.15 -999 ? O1 EDO D 126 >THR.D 84 -11.40 54.75 34.59 -11.55 53.12 33.20 -11.48 53.93 33.90 2 0 10.48 -999 ? O1 EDO D 126 >VAL^D 85 -10.58 54.23 38.29 -9.90 52.15 38.18 -10.24 53.19 38.24 3 0 9.47 -999 ? O1 EDO D 126 >ALA^D 86 -9.13 56.30 41.12 -9.73 57.68 40.90 -9.43 56.99 41.01 2 0 8.83 -999 ? O1 EDO D 126 >HIS^D 87 -6.65 56.18 46.74 -6.40 56.49 48.80 -6.52 56.34 47.77 3 0 8.01 -999 ? O1 EDO C 125 >ALA^D 88 -9.18 59.39 47.09 -10.50 60.01 46.71 -9.84 59.70 46.90 2 0 11.28 -999 ? O1 EDO C 125 >ARG^D 89 -5.64 59.71 53.27 -3.87 59.20 55.73 -4.76 59.46 54.50 2 0 13.52 -999 ? O1 EDO C 125 >VAL^D 90 -10.74 62.50 52.94 -12.76 63.04 52.28 -11.75 62.77 52.61 3 0 10.63 -999 ? CL CL D 125 >GLU^D 91 -7.53 63.64 56.26 -7.04 61.82 57.22 -7.28 62.73 56.74 2 0 12.30 -999 ? CL CL D 125 >ALA^D 92 -13.01 64.63 58.70 -14.30 63.85 58.51 -13.66 64.24 58.60 2 0 7.97 -999 ? CL CL D 125 >GLU^D 93 -10.42 66.61 62.26 -8.82 67.95 62.53 -9.62 67.28 62.39 2 0 12.77 -999 ? O2 EDO B 125 >ASN^D 94 -15.87 68.36 64.73 -17.17 68.99 66.30 -16.52 68.67 65.52 2 0 -14.31 -999 ? CL CL D 125s >TRP^D 95 -20.12 62.45 61.52 -19.37 61.26 57.86 -19.74 61.86 59.69 3 0 5.26 -999 ? CL CL D 125 >THR.D 96 -20.27 64.54 65.75 -21.76 63.14 64.98 -21.01 63.84 65.36 2 0 9.53 -999 ? CL CL D 125 >ASN.D 97 -17.46 64.58 69.17 -16.00 65.08 70.64 -16.73 64.83 69.90 2 0 14.65 -999 ? CL CL D 125s >PHE^D 98 -17.26 60.25 66.02 -19.09 59.09 67.78 -18.17 59.67 66.90 3 0 8.68 -999 ? CL CL D 125 >LYS^D 99 -12.21 62.16 63.65 -7.49 64.18 61.94 -9.85 63.17 62.80 2 0 13.15 -999 ? O2 EDO B 125 >PHE^D 100 -14.68 59.37 60.70 -16.77 58.54 62.33 -15.73 58.95 61.51 3 0 4.30 -999 ? CL CL D 125 >SER^D 101 -9.71 58.98 57.84 -7.50 59.39 58.80 -8.60 59.19 58.32 2 0 11.01 -999 ? CL CL D 125 >ASP^D 102 -12.81 58.74 54.28 -14.49 58.53 55.53 -13.65 58.64 54.90 2 0 5.14 -999 ? CL CL D 125 >LEU^D 103 -9.05 54.84 52.11 -7.04 55.17 52.90 -8.04 55.01 52.51 3 0 12.06 -999 ? CL CL D 125 >PHE^D 104 -13.51 57.61 49.29 -14.87 58.92 51.33 -14.19 58.27 50.31 3 0 9.38 -999 ? CL CL D 125 >LEU^D 105 -11.75 52.22 45.24 -9.88 51.18 45.63 -10.81 51.70 45.43 3 0 12.19 -999 ? O1 EDO C 125 >LEU^D 106 -13.79 56.89 42.47 -13.75 58.42 44.03 -13.77 57.65 43.25 3 0 13.47 -999 ? O1 EDO D 126 >LEU^D 107 -15.92 52.90 39.09 -16.04 51.41 37.56 -15.98 52.15 38.32 3 0 14.85 -999 ? O1 EDO D 126 >LYS^D 108 -15.81 56.30 36.14 -13.40 60.58 32.14 -14.60 58.44 34.14 2 0 11.40 -999 ? O1 EDO D 126 >LEU^D 109 -20.08 54.19 36.60 -21.53 52.56 36.56 -20.80 53.37 36.58 3 0 18.74 -999 ? O1 EDO D 126 >ASP.D 110 -21.82 55.46 32.08 -22.36 53.43 31.87 -22.09 54.44 31.98 2 0 20.53 -999 ? O1 EDO D 126 >GLY.D 111 -18.22 58.85 32.06 -18.56 58.58 32.74 -18.39 58.72 32.40 1 0 15.86 -999 ? O1 EDO D 126 >TRP^D 113 -14.73 61.20 37.37 -12.27 58.15 37.67 -13.50 59.68 37.52 3 0 11.02 -999 ? O1 EDO D 126 >THR^D 114 -18.89 57.32 41.53 -20.30 55.69 41.25 -19.59 56.51 41.39 2 0 17.58 -999 ? CL CL D 125 >ILE^D 115 -17.77 56.44 46.18 -17.32 57.19 47.31 -17.54 56.82 46.75 3 0 11.95 -999 ? CL CL D 125 >VAL^D 116 -17.51 52.02 44.71 -16.55 51.54 42.79 -17.03 51.78 43.75 3 0 14.44 -999 ? O1 EDO A 126 >ASN^D 117 -14.23 50.41 47.58 -14.64 48.91 46.15 -14.44 49.66 46.86 2 0 11.70 -999 ? O1 EDO A 126 >LYS^D 118 -14.84 52.97 51.19 -17.54 56.56 55.49 -16.19 54.76 53.34 2 0 -3.27 -999 ? CL CL D 125s >VAL^D 119 -12.77 52.09 54.24 -11.16 50.92 53.33 -11.97 51.50 53.79 3 0 9.62 -999 ? CL CL D 125 >PHE^D 120 -14.35 54.33 58.59 -16.02 53.04 60.41 -15.19 53.69 59.50 3 0 4.52 -999 ? CL CL D 125 >HIS^D 121 -8.04 54.56 61.85 -7.20 54.31 63.76 -7.62 54.43 62.80 3 0 11.66 -999 ? CL CL D 125 >LEU^D 122 -12.82 55.55 64.46 -14.10 56.67 65.80 -13.46 56.11 65.13 3 0 8.07 -999 ? CL CL D 125 >HIS.D 123 -7.80 59.39 63.70 -6.79 59.43 61.86 -7.30 59.41 62.78 3 0 11.94 -999 ? CL CL D 125 >ALA.D 124 -8.27 57.54 69.20 -7.20 56.64 69.78 -7.73 57.09 69.49 2 0 15.66 -999 ? CL CL D 125 >GLY.E 0 42.85 93.58 87.85 43.13 92.99 88.36 42.99 93.29 88.10 1 0 13.76 -999 ? O1 EDO E 125 >MET?E 1 43.60 90.67 85.53 40.83 88.75 85.54 42.22 89.71 85.53 2 0 13.89 -999 ? O1 EDO E 125 >SER.E 2 47.00 89.13 84.82 48.75 87.45 84.77 47.87 88.29 84.79 2 0 5.88 -999 ? O1 EDO E 125 >VAL.E 3 48.21 89.71 81.26 49.31 91.58 81.27 48.76 90.65 81.26 3 0 7.45 -999 ? C1 EDO E 125 >LYS.E 4 49.91 86.32 81.21 51.96 82.62 85.45 50.94 84.47 83.33 2 0 -3.84 -999 ? C2 EDO E 125s >VAL.E 5 48.67 84.48 78.12 49.01 84.77 75.99 48.84 84.63 77.06 3 0 7.36 -999 ? O2 EDO E 126 >SER~E 6 46.82 81.32 79.12 44.68 82.07 79.97 45.75 81.69 79.54 2 0 10.92 -999 ? C2 EDO E 125 >VAL~E 7 45.51 78.26 77.29 46.10 76.17 77.10 45.81 77.22 77.20 3 0 12.98 -999 ? O1 EDO E 126 >ASP~E 8 42.07 79.67 80.38 40.05 79.93 80.94 41.06 79.80 80.66 2 0 15.57 -999 ? C2 EDO E 125 >ASP~E 9 42.51 83.87 77.50 41.97 84.62 79.40 42.24 84.24 78.45 2 0 13.29 -999 ? C2 EDO E 125 >ILE~E 10 44.50 80.35 73.75 45.80 80.09 73.22 45.15 80.22 73.49 3 0 9.06 -999 ? O1 EDO E 126 >ASP~E 11 40.28 77.44 74.81 41.75 76.02 74.35 41.02 76.73 74.58 2 0 14.27 -999 ? O1 EDO E 126 >GLY~E 12 37.75 81.20 75.01 38.27 81.23 74.34 38.01 81.21 74.67 1 0 14.79 -999 ? O1 EDO E 126 >ILE~E 13 40.03 84.11 71.86 40.80 85.19 71.84 40.41 84.65 71.85 3 0 10.41 -999 ? O1 EDO E 126 >THR~E 14 38.90 80.35 69.67 40.33 78.78 69.22 39.62 79.56 69.44 2 0 12.31 -999 ? O1 EDO E 126 >GLU~E 15 33.58 78.49 72.38 33.08 78.10 74.40 33.33 78.30 73.39 2 0 19.75 -999 ? O1 EDO E 126 >VAL~E 16 33.80 82.60 69.99 34.13 84.70 70.50 33.97 83.65 70.24 3 0 16.54 -999 ? O1 EDO E 126 >LEU~E 17 37.26 82.87 66.58 38.33 84.77 66.49 37.79 83.82 66.53 3 0 12.86 -999 ? O1 EDO E 126 >ASN~E 18 34.65 78.07 66.70 36.64 77.29 66.66 35.64 77.68 66.68 2 0 16.33 -999 ? O1 EDO E 126 >VAL~E 19 30.92 80.68 66.34 29.69 81.29 68.05 30.31 80.99 67.20 3 0 20.65 -999 ? O1 EDO E 126 >TYR~E 20 32.95 85.18 62.58 33.70 86.43 60.21 33.33 85.80 61.40 3 0 18.48 -999 ? O1 EDO E 126 >MET?E 21 33.40 80.96 61.34 37.64 80.35 61.95 35.52 80.65 61.65 2 0 15.45 -999 ? O1 EDO E 126 >ASN~E 22 30.37 77.53 62.98 31.81 76.11 63.62 31.09 76.82 63.30 2 0 21.58 -999 ? O1 EDO E 126 >ALA~E 23 27.93 80.73 61.02 27.60 81.95 61.87 27.76 81.34 61.45 2 0 24.04 -999 ? O1 EDO E 126 >ALA~E 24 29.84 81.84 57.96 31.33 82.16 57.90 30.58 82.00 57.93 2 0 22.18 -999 ? O1 EDO E 126 >GLU~E 25 30.66 75.93 56.29 31.77 74.40 57.22 31.22 75.17 56.75 2 0 24.72 -999 ? O1 EDO E 126 >SER~E 26 26.37 76.99 57.50 27.54 75.40 58.92 26.96 76.20 58.21 2 0 25.35 -999 ? O1 EDO B 125 >GLY~E 27 24.62 79.59 59.67 24.71 79.87 58.93 24.67 79.73 59.30 1 0 23.73 -999 ? O1 EDO B 125 >THR~E 28 22.35 82.62 59.61 20.54 81.98 60.60 21.44 82.30 60.11 2 0 21.23 -999 ? O1 EDO B 125 >GLY~E 29 23.11 86.25 60.38 22.72 85.68 60.86 22.92 85.96 60.62 1 0 25.68 -999 ? O1 EDO B 125 >GLU~E 30 18.86 86.71 63.57 18.49 86.99 61.50 18.67 86.85 62.54 2 0 22.74 -999 ? O1 EDO B 125 >GLU~E 31 22.07 80.75 63.99 22.07 78.90 62.98 22.07 79.82 63.49 2 0 20.14 -999 ? O1 EDO B 125 >MET?E 32 26.50 84.85 63.59 28.45 86.75 60.24 27.47 85.80 61.91 2 0 23.44 -999 ? O1 EDO E 126 >SER~E 33 25.73 87.74 65.96 23.35 87.88 66.50 24.54 87.81 66.23 2 0 25.59 -999 ? O1 EDO B 125 >ALA.E 34 26.09 85.36 68.92 25.66 83.91 68.93 25.88 84.64 68.93 2 0 24.70 -999 ? O1 EDO E 126 >ALA.E 35 29.84 85.96 68.62 30.64 85.26 67.53 30.24 85.61 68.07 2 0 19.69 -999 ? O1 EDO E 126 >PHE^E 36 29.86 89.88 66.00 31.42 89.13 63.83 30.64 89.51 64.91 3 0 20.31 -999 ? O1 EDO E 126 >HIS^E 37 29.63 94.29 72.71 29.03 95.60 74.24 29.33 94.95 73.47 3 0 22.95 -999 ? C1 EDO E 126 >LYS^E 38 25.59 94.26 70.87 23.99 97.04 76.30 24.79 95.65 73.59 2 0 29.19 -999 ? C1 EDO E 126 >ASP^E 39 27.82 98.42 71.00 26.11 98.98 72.09 26.97 98.70 71.54 2 0 27.19 -999 ? C1 EDO E 126 >ALA^E 40 30.10 95.73 67.68 30.19 94.24 67.40 30.15 94.99 67.54 2 0 21.46 -999 ? C1 EDO E 126 >THR^E 41 31.20 97.42 64.46 32.33 99.02 65.35 31.77 98.22 64.91 2 0 21.82 -999 ? C1 EDO E 126 >ILE^E 42 31.56 95.35 60.35 30.90 94.71 59.19 31.23 95.03 59.77 3 0 22.59 -999 ? C1 EDO E 126 >PHE^E 43 34.62 100.68 59.67 33.37 102.69 61.13 33.99 101.69 60.40 3 0 23.37 -999 ? C1 EDO E 126 >GLY^E 44 35.46 97.30 54.97 34.92 97.89 54.83 35.19 97.59 54.90 1 0 22.68 -999 ? C1 EDO E 126 >TYR^E 45 37.05 100.11 50.91 37.45 102.82 51.44 37.25 101.46 51.17 3 0 26.12 -999 ? C1 EDO E 126 >VAL^E 46 33.99 96.21 48.31 32.29 94.87 48.43 33.14 95.54 48.37 3 0 27.99 -999 ? C1 EDO E 126 >GLY.E 47 35.81 97.67 45.34 35.81 97.94 46.16 35.81 97.81 45.75 1 0 29.50 -999 ? C1 EDO E 126 >LEU^E 50 33.09 102.68 52.44 34.06 102.64 54.39 33.57 102.66 53.42 3 0 27.47 -999 ? C1 EDO E 126 >ALA^E 51 30.17 98.75 51.86 30.32 97.35 51.28 30.25 98.05 51.57 2 0 28.49 -999 ? C1 EDO E 126 >PHE^E 52 30.42 96.05 55.64 29.23 93.79 54.54 29.83 94.92 55.09 3 0 25.90 -999 ? C1 EDO E 126 >ASN^E 53 30.18 103.00 56.79 28.06 102.96 56.53 29.12 102.98 56.66 2 0 29.91 -999 ? C1 EDO E 126 >GLY^E 54 30.24 100.88 61.23 29.84 100.35 60.78 30.04 100.61 61.00 1 0 25.46 -999 ? C1 EDO E 126 >PRO^E 55 25.98 100.95 60.74 27.45 99.52 61.62 26.72 100.24 61.18 3 0 28.06 -999 ? C1 EDO E 126 >ILE~E 56 27.64 94.73 63.97 27.98 94.00 63.99 27.81 94.37 63.98 3 0 24.21 -999 ? C1 EDO E 126 >ASP~E 58 25.76 96.51 57.44 24.73 98.35 57.60 25.24 97.43 57.52 2 0 30.14 -999 ? C1 EDO E 126 >LEU~E 59 28.11 91.97 59.43 29.53 90.33 59.52 28.82 91.15 59.47 3 0 23.88 -999 ? C1 EDO E 126 >TYR~E 60 24.27 90.50 62.13 25.93 90.78 64.33 25.10 90.64 63.23 3 0 26.18 -999 ? O1 EDO E 126 >ASP~E 61 21.39 92.82 56.57 20.02 93.55 58.01 20.70 93.19 57.29 2 0 29.76 -999 ? O1 EDO B 125 >TRP~E 62 26.69 91.11 51.62 29.13 88.33 52.95 27.91 89.72 52.29 3 0 28.03 -999 ? O1 EDO E 126 >HIS~E 63 26.05 85.43 56.97 26.72 83.45 57.06 26.38 84.44 57.02 3 0 26.67 -999 ? O1 EDO E 126 >ASN~E 64 20.21 87.32 56.02 20.03 86.80 58.09 20.12 87.06 57.05 2 0 24.86 -999 ? O1 EDO B 125 >SER~E 65 21.05 87.69 51.61 20.55 90.04 51.92 20.80 88.87 51.77 2 0 29.95 -999 ? O2 EDO B 125 >ASN~E 66 25.67 86.62 50.76 27.25 85.89 49.53 26.46 86.25 50.14 2 0 30.01 -999 ? O1 EDO E 126 >GLY~E 67 23.61 83.03 52.43 24.36 83.40 52.43 23.99 83.22 52.43 1 0 27.86 -999 ? O2 EDO B 125 >PRO.E 68 23.91 79.56 54.89 25.38 80.85 53.78 24.65 80.20 54.34 3 0 26.52 -999 ? O1 EDO B 125 >ALA.E 69 29.26 79.70 52.28 30.39 80.70 52.39 29.82 80.20 52.34 2 0 26.31 -999 ? O1 EDO E 126 >ASN.E 71 32.80 75.94 49.18 31.30 74.74 48.28 32.05 75.34 48.73 2 0 30.13 -999 ? O1 EDO E 126 >VAL.E 72 34.57 78.38 52.89 34.08 79.78 54.50 34.33 79.08 53.70 3 0 23.02 -999 ? O1 EDO E 126 >GLN^E 73 38.56 75.63 52.96 37.91 74.03 54.20 38.24 74.83 53.58 2 0 22.57 -999 ? O1 EDO E 126 >SER^E 74 38.52 79.69 57.61 36.22 80.45 57.56 37.37 80.07 57.58 2 0 18.83 -999 ? O1 EDO E 126 >ARG^E 75 42.61 76.87 58.48 40.86 75.03 56.74 41.73 75.95 57.61 2 0 18.83 -999 ? O1 EDO E 126 >ILE^E 76 42.38 81.36 64.20 41.75 81.48 65.40 42.06 81.42 64.80 3 0 10.22 -999 ? O1 EDO E 126 >THR^E 77 46.24 82.97 62.13 46.03 83.86 60.15 46.13 83.41 61.14 2 0 -9.86 -999 ? O1 EDO E 126s >ASN^E 78 47.35 86.63 64.67 48.65 87.56 66.09 48.00 87.10 65.38 2 0 -3.26 -999 ? C1 EDO E 126s >ILE^E 79 44.98 84.42 69.33 43.82 83.63 69.78 44.40 84.03 69.55 3 0 -6.25 -999 ? O1 EDO E 126s >ASP^E 80 47.84 89.67 69.93 49.50 90.51 70.91 48.67 90.09 70.42 2 0 -3.83 -999 ? C2 EDO E 126s >ILE^E 81 45.19 87.35 74.86 44.31 86.28 75.10 44.75 86.81 74.98 3 0 8.21 -999 ? O2 EDO E 126 >VAL^E 82 46.45 91.11 76.95 46.88 93.21 76.51 46.66 92.16 76.73 3 0 9.43 -999 ? O2 EDO E 126 >GLY.E 83 44.28 90.58 80.03 43.96 90.48 79.29 44.12 90.53 79.66 1 0 11.55 -999 ? C1 EDO E 125 >THR.E 84 40.83 91.85 79.09 40.69 93.41 80.56 40.76 92.63 79.83 2 0 15.71 -999 ? C1 EDO E 125 >VAL^E 85 41.21 92.75 75.42 41.66 94.86 75.62 41.43 93.80 75.52 3 0 12.97 -999 ? C1 EDO E 126 >ALA^E 86 42.60 90.90 72.42 42.19 89.43 72.55 42.39 90.17 72.48 2 0 9.35 -999 ? C1 EDO E 126 >HIS^E 87 44.78 91.69 66.75 45.04 91.52 64.68 44.91 91.61 65.71 3 0 7.62 -999 ? C1 EDO E 126 >ALA^E 88 42.76 88.13 66.26 41.66 87.18 66.70 42.21 87.65 66.48 2 0 8.93 -999 ? O1 EDO E 126 >ARG^E 89 45.62 88.77 59.76 47.06 89.41 57.13 46.34 89.09 58.45 2 0 -12.30 -999 ? C1 EDO E 126s >VAL^E 90 41.24 85.15 60.34 39.39 84.25 61.07 40.32 84.70 60.70 3 0 12.89 -999 ? O1 EDO E 126 >GLU^E 91 44.26 84.36 56.65 44.28 86.24 55.69 44.27 85.30 56.17 2 0 14.40 -999 ? O1 EDO E 126 >ALA^E 92 38.66 83.00 54.77 37.32 83.66 55.05 37.99 83.33 54.91 2 0 19.02 -999 ? O1 EDO E 126 >GLU^E 93 41.33 81.39 50.94 43.06 80.21 50.60 42.19 80.80 50.77 2 0 20.41 -999 ? O1 EDO E 126 >ASN.E 94 36.10 79.11 48.62 34.83 78.44 47.05 35.46 78.78 47.84 2 0 27.72 -999 ? O1 EDO E 126 >TRP.E 95 31.30 84.18 52.43 32.02 85.04 56.20 31.66 84.61 54.32 3 0 23.62 -999 ? O1 EDO E 126 >THR.E 96 31.02 82.25 48.21 29.55 83.49 49.20 30.28 82.87 48.70 2 0 28.63 -999 ? O1 EDO E 126 >ASN.E 97 33.31 82.67 44.48 32.24 80.91 43.91 32.78 81.79 44.20 2 0 31.14 -999 ? O1 EDO E 126 >PHE.E 98 33.48 86.92 48.00 31.31 87.99 46.64 32.39 87.45 47.32 3 0 27.97 -999 ? O1 EDO E 126 >LYS^E 99 38.81 85.60 49.85 43.97 83.96 51.06 41.39 84.78 50.45 2 0 18.93 -999 ? O1 EDO E 126 >PHE^E 100 36.30 88.03 53.02 33.97 88.53 51.58 35.14 88.28 52.30 3 0 22.49 -999 ? O1 EDO E 126 >SER^E 101 41.31 88.85 55.67 43.44 88.67 54.51 42.37 88.76 55.09 2 0 15.96 -999 ? C1 EDO E 126 >ASP^E 102 38.39 88.76 59.46 36.80 88.47 58.09 37.60 88.61 58.78 2 0 17.36 -999 ? O1 EDO E 126 >LEU^E 103 41.85 93.01 61.44 43.73 93.08 60.35 42.79 93.05 60.89 3 0 12.37 -999 ? C1 EDO E 126 >PHE^E 104 37.91 89.49 64.34 36.49 88.21 62.31 37.20 88.85 63.33 3 0 14.44 -999 ? C1 EDO E 126 >LEU^E 105 39.24 94.85 68.56 40.96 96.12 68.13 40.10 95.48 68.35 3 0 13.16 -999 ? C1 EDO E 126 >LEU^E 106 38.15 89.81 71.27 38.40 88.35 69.69 38.28 89.08 70.48 3 0 12.44 -999 ? C1 EDO E 126 >LEU^E 107 35.68 93.29 74.83 35.31 94.72 76.43 35.50 94.01 75.63 3 0 17.76 -999 ? C1 EDO E 126 >LYS^E 108 36.41 89.77 77.75 39.47 86.01 81.86 37.94 87.89 79.80 2 0 15.08 -999 ? C1 EDO E 125 >LEU^E 109 31.82 91.18 77.72 30.20 92.62 77.92 31.01 91.90 77.82 3 0 21.94 -999 ? C1 EDO E 126 >ASP.E 110 30.58 89.64 82.28 29.70 91.58 82.24 30.14 90.61 82.26 2 0 25.12 -999 ? C1 EDO E 126 >GLY.E 111 34.63 86.85 81.90 34.21 87.08 81.26 34.42 86.97 81.58 1 0 19.89 -999 ? C1 EDO E 125 >TRP^E 113 37.99 85.13 76.32 40.15 88.38 75.93 39.07 86.75 76.13 3 0 13.41 -999 ? O1 EDO E 126 >THR^E 114 33.19 88.46 72.43 31.54 89.83 72.80 32.36 89.15 72.62 2 0 19.53 -999 ? C1 EDO E 126 >ILE^E 115 33.96 89.79 67.81 34.34 89.14 66.65 34.15 89.46 67.23 3 0 16.54 -999 ? C1 EDO E 126 >VAL^E 116 33.69 94.12 69.55 34.63 94.69 71.47 34.16 94.40 70.51 3 0 17.85 -999 ? C1 EDO E 126 >ASN^E 117 36.51 96.27 66.50 36.10 97.67 68.04 36.31 96.97 67.27 2 0 17.69 -999 ? C1 EDO E 126 >LYS^E 118 35.80 93.93 62.81 34.35 89.77 58.81 35.07 91.85 60.81 2 0 19.12 -999 ? C1 EDO E 126 >VAL^E 119 37.49 95.17 59.67 39.01 96.52 60.48 38.25 95.84 60.08 3 0 17.22 -999 ? C1 EDO E 126 >PHE^E 120 36.05 92.88 55.38 34.09 94.09 53.83 35.07 93.48 54.61 3 0 21.80 -999 ? C1 EDO E 126 >HIS^E 121 42.10 93.67 51.82 42.81 94.20 49.92 42.46 93.94 50.87 3 0 20.68 -999 ? C1 EDO E 126 >LEU^E 122 37.20 92.17 49.47 35.89 91.03 48.14 36.54 91.60 48.80 3 0 24.72 -999 ? C1 EDO E 126 >HIS.E 123 42.76 88.93 49.58 43.88 88.84 51.35 43.32 88.89 50.47 3 0 -19.72 -999 ? C1 EDO E 126s >ALA.E 124 41.19 91.33 44.32 42.05 92.41 43.69 41.62 91.87 44.00 2 0 26.93 -999 ? C1 EDO E 126 >GLY.F 0 43.02 95.42 41.94 43.70 95.72 41.55 43.36 95.57 41.75 1 0 28.98 -999 ? C1 EDO E 126 >MET?F 1 45.51 96.32 44.67 44.39 98.14 48.42 44.95 97.23 46.55 2 0 23.80 -999 ? C1 EDO E 126 >SER.F 2 48.27 94.20 46.22 50.54 93.33 46.41 49.41 93.77 46.32 2 0 -23.13 -999 ? C1 EDO E 126s >VAL.F 3 48.47 93.43 49.94 47.25 91.65 50.28 47.86 92.54 50.11 3 0 -19.54 -999 ? C1 EDO E 126s >LYS.F 4 52.25 93.26 49.77 55.98 94.05 45.22 54.11 93.65 47.50 2 0 25.07 -999 ? C1 EDO E 126 >VAL.F 5 53.32 95.36 52.75 53.29 94.90 54.88 53.31 95.13 53.81 3 0 17.07 -999 ? C1 EDO E 126 >SER~F 6 54.94 98.62 51.66 53.31 100.30 51.03 54.13 99.46 51.35 2 0 22.11 -999 ? C1 EDO E 126 >VAL~F 7 57.05 101.14 53.56 59.21 101.54 53.81 58.13 101.34 53.69 3 0 21.85 -999 ? C2 EDO E 126 >ASP~F 8 54.05 103.97 50.96 52.85 105.70 50.75 53.45 104.83 50.85 2 0 25.78 -999 ? C1 EDO E 126 >ASP~F 9 51.04 100.88 53.88 49.68 101.12 52.28 50.36 101.00 53.08 2 0 21.46 -999 ? C1 EDO E 126 >ILE~F 10 55.35 100.92 57.25 56.30 99.93 57.62 55.82 100.43 57.43 3 0 18.02 -999 ? C2 EDO E 126 >ASP~F 11 55.60 106.04 56.42 57.55 105.28 56.32 56.57 105.66 56.37 2 0 22.73 -999 ? C2 EDO E 126 >GLY~F 12 51.11 106.21 56.75 51.44 105.77 57.39 51.28 105.99 57.07 1 0 22.32 -999 ? C1 EDO E 126 >ILE~F 13 49.99 102.73 59.91 49.32 101.46 60.02 49.65 102.09 59.96 3 0 17.14 -999 ? C1 EDO E 126 >THR~F 14 52.91 105.37 61.89 55.02 104.94 61.97 53.97 105.15 61.93 2 0 19.08 -999 ? C2 EDO E 126 >GLU~F 15 51.61 110.99 59.58 51.38 111.68 57.60 51.50 111.33 58.59 2 0 26.73 -999 ? C1 EDO E 126 >VAL~F 16 48.34 108.73 62.33 46.60 107.44 61.94 47.47 108.09 62.14 3 0 21.92 -999 ? C1 EDO E 126 >LEU~F 17 50.30 105.46 65.39 49.34 103.49 65.31 49.82 104.48 65.35 3 0 17.37 -999 ? C2 EDO E 126 >ASN~F 18 53.10 110.05 64.97 54.83 108.81 64.89 53.97 109.43 64.93 2 0 21.81 -999 ? C2 EDO E 126 >VAL~F 19 49.14 112.05 65.95 47.90 112.95 64.38 48.52 112.50 65.17 3 0 25.36 -999 ? C2 EDO E 126 >TYR~F 20 46.56 107.90 69.77 45.94 106.53 72.11 46.25 107.21 70.94 3 0 20.29 -999 ? C2 EDO E 126 >MET?F 21 50.57 109.54 70.76 53.13 106.18 69.86 51.85 107.86 70.31 2 0 18.49 -999 ? C2 EDO E 126 >ASN~F 22 52.05 113.85 69.16 53.92 113.16 68.43 52.98 113.51 68.79 2 0 25.54 -999 ? C2 EDO E 126 >ALA~F 23 48.14 114.32 71.52 46.85 114.04 70.78 47.50 114.18 71.15 2 0 26.79 -999 ? C2 EDO E 126 >ALA~F 24 48.37 111.93 74.45 48.82 110.47 74.37 48.60 111.20 74.41 2 0 23.42 -999 ? C2 EDO E 126 >GLU~F 25 54.05 114.07 75.82 55.89 114.01 74.78 54.97 114.04 75.30 2 0 27.10 -999 ? C2 EDO E 126 >SER~F 26 50.92 117.34 75.02 52.68 117.45 73.35 51.80 117.40 74.18 2 0 29.97 -999 ? C2 EDO E 126 >GLY~F 27 47.62 117.78 73.18 47.47 117.46 73.91 47.54 117.62 73.55 1 0 30.55 -999 ? C2 EDO E 126 >THR~F 28 43.85 118.13 73.59 43.32 120.02 72.67 43.58 119.08 73.13 2 0 33.52 -999 ? C2 EDO E 126 >GLY~F 29 41.11 115.60 72.89 41.29 116.29 72.44 41.20 115.95 72.67 1 0 29.99 -999 ? C1 EDO E 126 >GLU~F 30 38.43 119.25 70.38 38.48 119.35 72.50 38.46 119.30 71.44 2 0 34.32 -999 ? C1 EDO E 126 >GLU~F 31 45.04 119.46 69.22 46.68 120.24 70.32 45.86 119.85 69.77 2 0 32.91 -999 ? C2 EDO E 126 >MET?F 32 43.72 113.61 69.27 43.22 110.95 72.65 43.47 112.28 70.96 2 0 24.93 -999 ? C2 EDO E 126 >SER~F 33 40.49 113.04 67.31 39.30 115.15 67.13 39.89 114.09 67.22 2 0 29.95 -999 ? C1 EDO E 126 >ALA.F 34 42.39 113.88 64.11 43.34 115.06 63.96 42.87 114.47 64.04 2 0 28.95 -999 ? C1 EDO E 126 >ALA.F 35 43.81 110.36 64.33 44.82 109.99 65.41 44.32 110.17 64.87 2 0 23.51 -999 ? C1 EDO E 126 >PHE^F 36 40.63 108.23 66.85 42.29 107.19 68.80 41.46 107.71 67.83 3 0 22.23 -999 ? C1 EDO E 126 >HIS^F 37 35.94 106.83 60.50 34.35 106.84 59.13 35.14 106.83 59.82 3 0 26.32 -999 ? C1 EDO E 126 >LYS^F 38 34.32 110.19 63.02 29.48 110.21 59.16 31.90 110.20 61.09 2 0 32.46 -999 ? C1 EDO E 126 >ASP^F 39 31.67 106.27 62.72 30.25 107.60 61.91 30.96 106.93 62.32 2 0 29.40 -999 ? C1 EDO E 126 >ALA^F 40 35.46 105.33 65.65 36.82 105.98 65.85 36.14 105.66 65.75 2 0 23.24 -999 ? C1 EDO E 126 >THR^F 41 34.90 103.29 68.80 33.92 101.61 67.86 34.41 102.45 68.33 2 0 21.84 -999 ? C1 EDO E 126 >ILE^F 42 37.39 103.79 72.69 37.75 104.63 73.89 37.57 104.21 73.29 3 0 21.66 -999 ? C1 EDO E 126 >PHE^F 43 34.30 98.57 73.40 31.87 98.78 72.05 33.09 98.68 72.72 3 0 21.10 -999 ? C1 EDO E 126 >GLY^F 44 38.06 99.30 77.90 37.29 99.42 78.10 37.68 99.36 78.00 1 0 19.46 -999 ? C1 EDO E 126 >TYR^F 45 36.69 96.14 81.88 34.50 94.48 81.44 35.59 95.31 81.66 3 0 20.91 -999 ? C1 EDO E 125 >VAL^F 46 38.67 100.60 84.57 38.93 102.76 84.61 38.80 101.68 84.59 3 0 21.54 -999 ? O1 EDO E 125 >GLY.F 47 38.54 98.01 87.33 38.24 97.93 86.54 38.39 97.97 86.93 1 0 19.60 -999 ? O1 EDO E 125 >LEU^F 50 32.39 98.37 80.57 32.95 97.67 78.57 32.67 98.02 79.57 3 0 23.38 -999 ? C1 EDO E 126 >ALA^F 51 34.24 102.84 81.63 35.50 103.39 82.28 34.87 103.12 81.95 2 0 25.28 -999 ? O1 EDO E 125 >PHE^F 52 36.64 104.27 77.81 37.97 106.44 78.93 37.31 105.36 78.37 3 0 24.24 -999 ? C1 EDO E 126 >ASN^F 53 30.53 100.91 76.90 29.55 102.66 77.61 30.04 101.78 77.26 2 0 27.37 -999 ? C1 EDO E 126 >GLY^F 54 31.73 102.38 72.34 32.06 102.96 72.79 31.90 102.67 72.56 1 0 24.26 -999 ? C1 EDO E 126 >PRO^F 55 29.66 105.98 73.30 31.52 105.49 72.15 30.59 105.74 72.72 3 0 27.34 -999 ? C1 EDO E 126 >ILE~F 56 35.57 107.77 69.57 36.36 107.93 69.52 35.96 107.85 69.54 3 0 25.09 -999 ? C1 EDO E 126 >LYS~F 57 33.65 110.98 72.38 30.72 114.87 74.83 32.18 112.92 73.60 2 0 34.37 -999 ? C1 EDO E 126 >ASP~F 58 33.80 108.18 76.33 31.71 108.18 76.59 32.76 108.18 76.46 2 0 29.07 -999 ? C1 EDO E 126 >LEU~F 59 38.61 108.58 73.71 40.74 108.16 73.49 39.67 108.37 73.60 3 0 24.07 -999 ? C1 EDO E 126 >TYR~F 60 37.94 112.82 71.54 38.24 111.36 69.19 38.09 112.09 70.37 3 0 27.66 -999 ? C1 EDO E 126 >ASP~F 61 34.84 113.58 77.36 33.34 114.61 76.29 34.09 114.10 76.82 2 0 33.02 -999 ? C1 EDO E 126 >TRP~F 62 39.36 109.74 81.75 42.86 108.98 80.14 41.11 109.36 80.94 3 0 26.37 -999 ? O1 EDO E 125 >HIS~F 63 43.50 113.33 76.12 45.54 113.74 75.88 44.52 113.53 76.00 3 0 27.56 -999 ? C2 EDO E 126 >ASN~F 64 39.22 117.47 77.73 39.48 117.90 75.66 39.35 117.69 76.69 2 0 33.14 -999 ? C1 EDO E 126 >SER~F 65 39.60 116.23 82.06 37.24 115.65 82.17 38.42 115.94 82.12 2 0 33.57 -999 ? O1 EDO E 125 >ASN~F 66 43.02 112.85 82.31 44.60 111.86 83.34 43.81 112.36 82.82 2 0 26.80 -999 ? O1 EDO E 125 >GLY~F 67 44.92 116.61 80.62 44.95 115.80 80.57 44.94 116.21 80.59 1 0 31.41 -999 ? O1 EDO E 125 >PRO.F 68 47.94 118.21 78.08 47.62 116.23 79.08 47.78 117.22 78.58 3 0 31.09 -999 ? C2 EDO E 126 >ALA.F 69 50.41 113.11 80.06 50.13 111.64 79.82 50.27 112.37 79.94 2 0 25.51 -999 ? O1 EDO E 125 >ASN.F 71 55.53 111.81 82.79 56.20 113.49 83.91 55.87 112.65 83.35 2 0 26.50 -999 ? O1 EDO E 125 >VAL.F 72 54.11 109.42 78.92 52.58 109.23 77.37 53.34 109.32 78.15 3 0 23.29 -999 ? C2 EDO E 126 >GLN^F 73 58.49 107.39 78.39 59.67 108.77 77.25 59.08 108.08 77.82 2 0 23.58 -999 ? O1 EDO E 125 >SER^F 74 54.65 105.50 73.94 52.57 106.73 74.24 53.61 106.12 74.09 2 0 19.58 -999 ? C2 EDO E 126 >ARG^F 75 58.88 103.50 72.55 59.75 105.59 74.64 59.32 104.55 73.60 2 0 20.21 -999 ? C2 EDO E 126 >ILE^F 76 54.36 101.66 67.07 53.76 102.17 65.93 54.06 101.91 66.50 3 0 14.69 -999 ? C2 EDO E 126 >THR^F 77 55.05 97.42 68.81 54.31 97.08 70.81 54.68 97.25 69.81 2 0 9.76 -999 ? C2 EDO E 126 >ASN^F 78 52.13 94.86 66.46 51.80 93.29 65.05 51.96 94.07 65.75 2 0 7.08 -999 ? C1 EDO E 126 >ILE^F 79 52.54 98.23 61.92 52.60 99.66 61.48 52.57 98.95 61.70 3 0 13.69 -999 ? C1 EDO E 126 >ASP^F 80 49.34 93.19 61.36 49.14 91.41 60.24 49.24 92.30 60.80 2 0 -9.52 -999 ? C1 EDO E 126s >ILE^F 81 49.63 96.76 56.50 50.04 98.12 56.31 49.84 97.44 56.41 3 0 15.93 -999 ? C1 EDO E 126 >VAL^F 82 46.64 93.96 54.55 45.06 92.49 54.93 45.85 93.23 54.74 3 0 15.88 -999 ? C1 EDO E 126 >GLY.F 83 45.68 96.31 51.74 45.72 96.56 52.51 45.70 96.44 52.12 1 0 19.82 -999 ? C1 EDO E 126 >THR.F 84 42.98 98.64 53.00 41.36 98.10 51.67 42.17 98.37 52.34 2 0 22.14 -999 ? C1 EDO E 126 >VAL^F 85 42.90 97.67 56.68 41.18 96.31 56.65 42.04 96.99 56.66 3 0 17.60 -999 ? C1 EDO E 126 >ALA^F 86 45.47 97.11 59.43 46.58 98.11 59.19 46.02 97.61 59.31 2 0 14.88 -999 ? C1 EDO E 126 >HIS^F 87 46.43 94.75 64.97 46.92 94.54 67.00 46.68 94.64 65.99 3 0 8.63 -999 ? C1 EDO E 126 >ALA^F 88 48.46 98.12 65.47 48.61 99.56 65.04 48.54 98.84 65.26 2 0 12.85 -999 ? C1 EDO E 126 >ARG^F 89 50.09 94.84 71.55 50.30 93.05 74.03 50.19 93.95 72.79 2 0 7.06 -999 ? O2 EDO E 126 >VAL^F 90 50.90 100.63 71.15 50.69 102.68 70.38 50.80 101.66 70.77 3 0 14.01 -999 ? C2 EDO E 126 >GLU^F 91 53.22 98.05 74.47 51.78 97.01 75.62 52.50 97.53 75.05 2 0 11.09 -999 ? C2 EDO E 126 >ALA^F 92 52.14 103.39 77.04 50.88 104.24 76.95 51.51 103.81 77.00 2 0 18.10 -999 ? C2 EDO E 126 >GLU^F 93 55.05 101.75 80.46 56.92 100.80 80.77 55.98 101.27 80.61 2 0 14.54 -999 ? O1 EDO E 125 >ASN^F 94 54.71 107.35 83.09 54.96 108.64 84.77 54.83 108.00 83.93 2 0 21.59 -999 ? O1 EDO E 125 >TRP^F 95 47.68 109.31 80.06 46.69 108.30 76.40 47.19 108.80 78.23 3 0 23.24 -999 ? C2 EDO E 126 >THR.F 96 49.59 110.05 84.28 47.71 110.83 83.54 48.65 110.44 83.91 2 0 24.80 -999 ? O1 EDO E 125 >ASN.F 97 50.58 107.40 87.61 51.22 105.96 89.05 50.90 106.68 88.33 2 0 19.65 -999 ? O1 EDO E 125 >PHE^F 98 46.47 105.66 84.48 44.67 106.78 86.29 45.57 106.22 85.39 3 0 21.20 -999 ? O1 EDO E 125 >LYS^F 99 50.04 101.75 82.00 53.58 98.17 80.26 51.81 99.96 81.13 2 0 12.09 -999 ? O1 EDO E 125 >PHE^F 100 46.56 102.85 79.18 45.21 104.60 80.86 45.89 103.72 80.02 3 0 19.44 -999 ? O1 EDO E 125 >SER^F 101 48.10 98.31 76.08 49.39 96.43 76.88 48.75 97.37 76.48 2 0 11.52 -999 ? O2 EDO E 126 >ASP^F 102 46.71 101.15 72.50 46.16 102.63 73.90 46.43 101.89 73.20 2 0 16.50 -999 ? C2 EDO E 126 >LEU^F 103 44.31 96.32 70.54 45.27 94.61 71.49 44.79 95.47 71.01 3 0 10.12 -999 ? C1 EDO E 126 >PHE^F 104 45.20 101.55 67.73 46.07 103.20 69.78 45.64 102.38 68.76 3 0 15.73 -999 ? C1 EDO E 126 >LEU^F 105 40.68 97.98 63.81 40.53 95.84 64.15 40.61 96.91 63.98 3 0 14.52 -999 ? C1 EDO E 126 >LEU^F 106 44.18 101.65 60.86 45.66 102.20 62.38 44.92 101.93 61.62 3 0 17.11 -999 ? C1 EDO E 126 >LEU^F 107 39.74 102.05 57.65 38.26 101.73 56.10 39.00 101.89 56.88 3 0 21.98 -999 ? C1 EDO E 126 >LYS^F 108 42.90 103.37 54.60 47.48 102.89 50.24 45.19 103.13 52.42 2 0 24.33 -999 ? C1 EDO E 126 >LEU^F 109 39.32 106.52 55.23 37.25 107.14 55.39 38.28 106.83 55.31 3 0 26.60 -999 ? C1 EDO E 126 >ASP.F 110 39.57 108.36 50.59 39.42 109.29 48.70 39.49 108.82 49.65 2 0 31.69 -999 ? C1 EDO E 126 >GLY.F 111 44.13 106.52 50.54 43.75 106.70 51.23 43.94 106.61 50.89 1 0 27.16 -999 ? C1 EDO E 126 >TRP^F 113 47.76 104.32 55.58 46.09 100.79 55.95 46.93 102.55 55.77 3 0 20.27 -999 ? C1 EDO E 126 >THR^F 114 42.80 106.60 60.07 40.77 107.36 59.96 41.79 106.98 60.01 2 0 23.87 -999 ? C1 EDO E 126 >ILE^F 115 42.56 105.08 64.69 43.46 104.92 65.77 43.01 105.00 65.23 3 0 19.43 -999 ? C1 EDO E 126 >VAL^F 116 38.44 103.32 63.27 38.25 102.28 61.35 38.35 102.80 62.31 3 0 20.64 -999 ? C1 EDO E 126 >ASN^F 117 38.14 99.71 66.12 36.61 99.67 64.64 37.37 99.69 65.38 2 0 18.97 -999 ? C1 EDO E 126 >LYS^F 118 40.47 101.10 69.72 43.01 104.10 74.18 41.74 102.60 71.95 2 0 19.06 -999 ? C1 EDO E 126 >VAL^F 119 40.52 98.78 72.73 39.94 96.86 71.85 40.23 97.82 72.29 3 0 15.03 -999 ? C1 EDO E 126 >PHE^F 120 42.09 101.02 77.13 40.22 101.95 78.97 41.15 101.48 78.05 3 0 19.26 -999 ? C1 EDO E 126 >HIS^F 121 44.70 95.06 80.02 44.71 94.11 81.90 44.70 94.58 80.96 3 0 12.97 -999 ? C1 EDO E 125 >LEU^F 122 43.99 99.98 82.71 44.54 101.54 84.13 44.26 100.76 83.42 3 0 17.24 -999 ? O1 EDO E 125 >HIS.F 123 49.33 96.63 82.05 49.76 95.81 80.18 49.55 96.22 81.11 3 0 11.14 -999 ? O1 EDO E 125 >ALA.F 124 47.17 96.22 87.53 46.79 94.85 88.06 46.98 95.53 87.79 2 0 11.47 -999 ? O1 EDO E 125