REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 11-DEC-07 3BLZ COMPND NTF2-LIKE PROTEIN OF UNKNOWN FUNCTION; COMPND 3 CHAIN: A, B, C, D, E, F, G, H, I, J, K, L; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA BALTICA; SOURCE 3 ORGANISM_TAXID: 325240; SOURCE 4 STRAIN: OS155; SOURCE 5 ATCC: BAA-1091; SOURCE 6 GENE: YP_001049020.1, SBAL_0622; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 32 8 HET MSE B 32 8 HET MSE C 32 8 HET MSE D 32 8 HET MSE E 32 8 HET MSE F 32 8 HET MSE G 32 8 HET MSE H 32 8 HET MSE I 32 8 HET MSE J 32 8 HET MSE K 32 8 HET MSE L 32 8 HET EDO A 128 4 HET EDO A 129 4 HET EDO B 128 4 HET EDO C 128 4 HET EDO C 129 4 HET EDO C 130 4 HET EDO D 128 4 HET EDO D 129 4 HET EDO E 128 4 HET EDO E 129 4 HET EDO F 128 4 HET EDO F 129 4 HET EDO F 130 4 HET EDO F 131 4 HET EDO F 132 4 HET EDO G 128 4 HET EDO G 129 4 HET EDO H 128 4 HET EDO H 129 4 HET EDO I 128 4 HET EDO I 129 4 HET EDO I 130 4 HET EDO J 128 4 HET EDO J 129 4 HET EDO K 128 4 HET EDO K 129 4 HET EDO K 130 4 HET EDO K 131 4 HET PEG B 129 7 HET PEG G 130 7 SITE 1 AC1 3 ASN A 49 LYS B 109 GLY B 112 SITE 1 AC2 4 GLY A 53 GLY A 58 HOH A 150 HOH A 191 SITE 1 AC3 5 ARG B 33 SER B 38 GLN B 57 ARG C 33 SITE 1 AC4 3 LYS C 109 GLY C 112 ASN D 49 SITE 1 AC5 7 THR C 4 THR C 5 TYR C 6 GLU C 9 SITE 1 AC6 3 ALA B 75 VAL C 7 HIS C 11 SITE 1 AC7 4 THR D 4 THR D 5 ILE D 82 GLY D 84 SITE 1 AC8 8 SER D 18 ASN D 21 GLU D 22 HOH D 186 SITE 1 AC9 3 THR E 4 ILE E 82 GLY E 84 SITE 1 BC1 6 ILE E 42 GLY E 53 GLY E 58 LEU E 59 SITE 1 BC2 4 THR F 4 THR F 5 TYR F 6 GLY F 84 SITE 1 BC3 9 ASP F 92 THR F 93 ASP F 94 ARG F 100 SITE 1 BC4 7 PRO A 69 SER F 18 ASN F 21 GLU F 22 SITE 1 BC5 4 ASN E 49 LYS F 109 GLU F 111 GLY F 112 SITE 1 BC6 5 ILE F 42 VAL F 62 HOH F 208 HOH F 223 SITE 1 BC7 4 HIS G 122 PRO G 125 GLY H 84 EDO H 129 SITE 1 BC8 6 THR G 4 GLU G 9 ALA G 12 LYS G 109 SITE 1 BC9 5 GLN G 39 PHE H 43 LEU H 51 GLY H 53 SITE 1 CC1 6 EDO G 128 THR H 4 THR H 5 TYR H 6 SITE 1 CC2 3 LYS I 19 ILE I 31 PRO I 34 SITE 1 CC3 5 THR I 4 GLU I 9 ALA I 12 LYS I 109 SITE 1 CC4 5 THR I 4 THR I 5 TYR I 6 VAL I 83 SITE 1 CC5 3 VAL J 66 HIS J 68 SER J 97 SITE 1 CC6 5 GLN I 39 LEU J 51 THR J 52 GLY J 53 SITE 1 CC7 6 ARG J 33 HOH J 218 ARG K 33 ILE K 56 SITE 1 CC8 3 THR K 4 THR K 5 GLY K 84 SITE 1 CC9 5 LYS K 109 GLU K 111 GLY K 112 HOH K 190 SITE 1 DC1 6 GLY K 53 GLY K 54 PRO K 55 GLY K 58 SITE 1 DC2 9 ILE B 42 GLY B 53 GLY B 54 PRO B 55 SITE 1 DC3 7 TYR F 6 ARG G 90 ASP G 92 ARG G 100 >THR.A 4 29.25 10.01 72.06 31.03 11.24 71.93 30.14 10.63 72.00 2 0 16.07 -999 ? O2 EDO C 129 >THR~A 5 29.69 6.24 72.09 28.74 5.50 70.29 29.21 5.87 71.19 2 0 14.12 -999 ? O2 EDO C 129 >TYR~A 6 34.13 2.20 73.93 36.83 1.32 73.88 35.48 1.76 73.91 3 0 11.88 -999 ? O2 EDO C 129 >VAL~A 7 33.07 3.15 69.48 32.24 1.59 68.16 32.65 2.37 68.82 3 0 12.20 -999 ? O1 EDO D 129 >GLN~A 8 30.75 7.49 67.60 29.10 8.76 67.96 29.92 8.12 67.78 2 0 17.30 -999 ? O1 EDO D 129 >GLU~A 9 34.44 8.91 72.69 34.77 10.96 72.19 34.60 9.94 72.44 2 0 16.71 -999 ? O2 EDO C 129 >TYR~A 10 38.28 2.23 69.66 40.19 0.38 68.89 39.23 1.30 69.28 3 0 12.25 -999 ? O2 EDO D 129 >HIS~A 11 36.84 6.17 64.04 37.24 6.33 61.99 37.04 6.25 63.02 3 0 13.37 -999 ? O2 EDO D 129 >ALA~A 12 38.94 9.15 67.15 38.12 10.14 67.94 38.53 9.64 67.55 2 0 18.62 -999 ? O2 EDO D 129 >ILE~A 13 41.55 7.33 70.85 41.66 7.28 72.26 41.61 7.30 71.56 3 0 18.64 -999 ? O2 EDO D 129 >VAL~A 14 43.01 5.39 66.92 42.58 3.32 66.32 42.79 4.36 66.62 3 0 14.22 -999 ? O2 EDO D 129 >VAL~A 16 45.52 10.12 66.74 45.07 11.62 68.31 45.30 10.87 67.52 3 0 19.34 -999 ? C2 EDO A 129 >LEU~A 17 47.15 5.94 68.64 47.00 6.00 70.79 47.08 5.97 69.71 3 0 17.49 -999 ? C2 EDO A 129 >SER~A 18 48.01 5.98 64.09 46.03 4.69 63.53 47.02 5.34 63.81 2 0 15.27 -999 ? O2 EDO D 129 >LYS~A 19 49.99 9.21 63.49 46.06 14.12 63.65 48.03 11.66 63.57 2 0 15.80 -999 ? C2 EDO G 129 >TYR~A 20 52.98 7.16 68.53 55.04 5.88 69.95 54.01 6.52 69.24 3 0 11.42 -999 ? C2 EDO A 129 >ASN~A 21 51.57 3.63 64.63 50.88 2.78 66.49 51.23 3.21 65.56 2 0 16.66 -999 ? O2 EDO A 129 >GLU~A 22 52.52 7.14 59.01 51.15 8.58 58.14 51.84 7.86 58.58 2 0 12.12 -999 ? O2 EDO F 130 >GLY~A 23 55.82 8.72 62.50 55.78 7.90 62.60 55.80 8.31 62.55 1 0 10.63 -999 ? C1 EDO F 130 >GLY~A 24 57.67 5.91 64.32 57.47 5.97 63.51 57.57 5.94 63.92 1 0 11.51 -999 ? O2 EDO F 130 >LYS~A 25 57.77 3.60 61.31 55.05 -1.09 58.54 56.41 1.26 59.93 2 0 12.14 -999 ? O2 EDO F 130 >LYS~A 26 58.78 6.39 58.88 54.36 5.71 55.89 56.57 6.05 57.39 2 0 8.50 -999 ? O2 EDO F 130 >ALA~A 27 61.20 7.90 61.46 62.61 7.34 61.27 61.91 7.62 61.37 2 0 6.87 -999 ? C1 EDO F 130 >ASP~A 28 58.89 11.32 59.48 58.38 13.26 58.79 58.63 12.29 59.14 2 0 7.20 -999 ? C1 EDO F 130 >SER~A 29 58.60 13.28 63.91 59.92 15.24 64.33 59.26 14.26 64.12 2 0 11.18 -999 ? O1 EDO F 130 >THR~A 30 56.46 15.72 61.94 57.51 16.55 60.22 56.99 16.14 61.08 2 0 10.39 -999 ? O1 EDO F 130 >ILE~A 31 54.17 11.58 60.58 54.11 10.67 59.54 54.14 11.12 60.06 3 0 10.50 -999 ? C1 EDO F 130 >MET?A 32 53.57 12.17 65.04 56.75 10.63 67.39 55.16 11.40 66.21 2 0 9.80 -999 ? C2 EDO A 129 >ARG~A 33 55.38 19.24 65.94 57.96 19.72 67.58 56.67 19.48 66.76 2 0 12.63 -999 ? O1 EDO A 129 >PRO.A 34 50.53 16.59 63.67 50.83 16.30 65.89 50.68 16.45 64.78 3 0 16.20 -999 ? C2 EDO G 129 >ALA.A 35 49.26 13.52 68.32 49.79 12.13 68.18 49.52 12.82 68.25 2 0 15.05 -999 ? C2 EDO A 129 >PHE^A 36 52.89 13.60 71.30 53.68 10.96 71.18 53.29 12.28 71.24 3 0 10.71 -999 ? C2 EDO A 129 >SER^A 37 50.11 18.15 73.47 49.49 19.25 75.54 49.80 18.70 74.51 2 0 13.03 -999 ? C1 PEG B 129 >SER^A 38 52.80 20.81 73.72 51.59 22.84 74.32 52.20 21.83 74.02 2 0 14.16 -999 ? O1 PEG B 129 >GLN^A 39 51.04 21.72 78.05 52.64 23.04 78.15 51.84 22.38 78.10 2 0 10.59 -999 ? O1 PEG B 129 >ALA^A 40 53.41 16.20 76.82 53.10 15.40 75.51 53.25 15.80 76.16 2 0 11.32 -999 ? C2 EDO A 129 >THR^A 41 56.21 14.28 78.50 55.78 14.54 80.66 55.99 14.41 79.58 2 0 9.74 -999 ? C1 EDO A 129 >ILE^A 42 58.73 10.94 76.18 59.72 10.48 75.26 59.22 10.71 75.72 3 0 4.13 -999 ? C2 EDO A 129 >PHE^A 43 59.42 10.53 82.05 59.70 13.16 82.87 59.56 11.85 82.46 3 0 7.63 -999 ? C1 EDO A 129 >GLY^A 44 61.37 5.48 80.49 61.77 6.12 80.94 61.57 5.80 80.72 1 0 7.49 -999 ? C1 EDO A 129 >VAL^A 45 64.13 3.83 82.51 63.66 2.74 84.34 63.90 3.29 83.42 3 0 5.14 -999 ? O1 EDO A 128 >ASP.A 46 68.67 4.79 81.16 69.59 5.23 83.02 69.13 5.01 82.09 2 0 8.79 -999 ? O1 EDO A 128 >VAL.A 47 70.18 0.66 81.39 72.20 0.27 80.63 71.19 0.46 81.01 3 0 9.24 -999 ? O1 EDO A 128 >ASP.A 48 72.07 3.00 85.21 73.82 2.93 84.03 72.95 2.97 84.62 2 0 10.65 -999 ? O1 EDO A 128 >ASN.A 49 67.42 0.78 87.12 67.41 -1.22 86.39 67.41 -0.22 86.76 2 0 -3.38 -999 ? O1 EDO A 128s >LYS.A 50 67.39 5.60 86.18 71.94 6.01 89.15 69.67 5.81 87.67 2 0 10.29 -999 ? C1 EDO A 128 >LEU^A 51 63.67 8.73 85.89 61.65 9.42 85.50 62.66 9.08 85.70 3 0 9.74 -999 ? O1 EDO A 128 >THR^A 52 65.16 9.11 81.54 66.14 8.06 79.85 65.65 8.59 80.70 2 0 5.46 -999 ? C1 EDO A 129 >GLY^A 53 63.22 11.62 79.48 63.56 12.00 80.13 63.39 11.81 79.81 1 0 -3.50 -999 ? C1 EDO A 129s >GLY^A 54 61.39 14.87 79.88 61.06 14.42 79.26 61.23 14.65 79.57 1 0 5.40 -999 ? O1 EDO A 129 >PRO^A 55 61.18 18.86 78.21 60.18 16.88 77.85 60.68 17.87 78.03 3 0 6.77 -999 ? O1 EDO A 129 >ILE~A 56 56.63 15.48 73.93 56.33 14.83 73.53 56.48 15.15 73.73 3 0 8.31 -999 ? C2 EDO A 129 >GLN~A 57 62.19 18.98 71.06 61.32 19.05 69.12 61.75 19.01 70.09 2 0 9.85 -999 ? O1 EDO A 129 >GLY~A 58 63.14 14.56 73.33 62.51 14.49 72.87 62.82 14.53 73.10 1 0 -3.45 -999 ? O1 EDO A 129s >LEU~A 59 59.59 11.57 71.85 58.55 9.79 71.07 59.07 10.68 71.46 3 0 5.30 -999 ? C2 EDO A 129 >PHE~A 60 58.86 15.30 68.57 56.22 15.41 69.42 57.54 15.36 69.00 3 0 9.48 -999 ? C2 EDO A 129 >ASP~A 61 65.52 14.88 69.78 65.38 17.03 69.97 65.45 15.96 69.87 2 0 7.60 -999 ? O1 EDO A 129 >VAL~A 62 65.33 10.51 68.93 65.38 9.06 70.53 65.35 9.78 69.73 3 0 5.02 -999 ? O2 EDO A 129 >ILE~A 63 61.42 10.22 66.06 60.76 8.99 65.82 61.09 9.61 65.94 3 0 9.07 -999 ? O2 EDO A 129 >ASP~A 64 64.29 13.80 63.89 62.36 14.34 63.29 63.32 14.07 63.59 2 0 9.17 -999 ? O1 EDO F 130 >ASN~A 65 68.79 12.72 65.70 68.19 14.77 65.45 68.49 13.74 65.57 2 0 11.40 -999 ? C2 EDO A 129 >VAL~A 66 68.53 8.16 65.90 69.02 7.74 68.01 68.77 7.95 66.96 3 0 9.05 -999 ? O2 EDO A 129 >PHE.A 67 63.91 5.51 65.94 63.13 4.39 68.39 63.52 4.95 67.16 3 0 8.52 -999 ? O2 EDO A 129 >HIS.A 68 68.21 3.83 60.97 70.12 4.34 61.64 69.16 4.09 61.30 3 0 9.79 -999 ? C2 EDO F 130 >PRO.A 69 63.61 5.74 57.11 63.42 4.37 58.88 63.51 5.05 57.99 3 0 -4.76 -999 ? C2 EDO F 130s >SER.A 70 61.42 0.67 59.54 62.45 0.82 61.71 61.94 0.74 60.63 2 0 10.14 -999 ? O2 EDO F 130 >PRO.A 71 61.49 -1.15 55.63 59.90 -0.56 57.13 60.69 -0.86 56.38 3 0 8.75 -999 ? O2 EDO F 130 >GLU.A 72 60.40 -5.64 57.31 58.92 -5.73 55.73 59.66 -5.68 56.52 2 0 13.68 -999 ? O2 EDO F 130 >ALA.A 73 57.61 -2.43 61.95 57.84 -0.96 62.40 57.73 -1.69 62.18 2 0 12.73 -999 ? O2 EDO F 130 >ALA^A 75 52.24 -2.10 65.94 52.10 -0.54 65.87 52.17 -1.32 65.91 2 0 14.99 -999 ? O2 EDO D 128 >ALA^A 76 49.27 -3.40 67.92 49.36 -4.79 68.55 49.31 -4.10 68.23 2 0 10.58 -999 ? O2 EDO D 128 >ILE^A 77 46.12 0.10 69.22 45.85 1.48 69.00 45.98 0.79 69.11 3 0 14.87 -999 ? O2 EDO D 129 >ALA^A 78 46.47 -3.60 72.60 47.57 -3.95 73.59 47.02 -3.77 73.10 2 0 10.45 -999 ? C2 EDO D 128 >ARG^A 79 43.82 -1.55 78.61 45.97 0.73 79.23 44.90 -0.41 78.92 2 0 15.82 -999 ? C1 EDO D 128 >ILE^A 80 41.76 2.52 73.58 42.04 3.62 72.57 41.90 3.07 73.08 3 0 16.85 -999 ? O2 EDO D 129 >ASP^A 81 40.94 2.47 79.50 41.12 0.60 80.32 41.03 1.54 79.91 2 0 12.87 -999 ? C1 EDO C 129 >ILE^A 82 37.37 5.72 76.32 37.28 6.14 74.96 37.33 5.93 75.64 3 0 13.05 -999 ? O2 EDO C 129 >VAL^A 83 36.21 7.35 80.48 36.16 6.49 82.47 36.19 6.92 81.48 3 0 10.34 -999 ? O2 EDO C 129 >GLY.A 84 34.66 10.68 79.44 35.34 10.32 79.20 35.00 10.50 79.32 1 0 12.72 -999 ? O2 EDO C 129 >THR.A 85 37.43 13.16 78.62 36.82 14.97 79.72 37.12 14.06 79.17 2 0 13.79 -999 ? C4 PEG B 129 >ALA^A 86 40.24 10.79 79.73 40.45 10.65 81.28 40.35 10.72 80.50 2 0 13.26 -999 ? O4 PEG B 129 >ALA^A 87 41.73 7.72 78.07 41.43 7.76 76.56 41.58 7.74 77.32 2 0 16.44 -999 ? O2 EDO C 129 >SER^A 88 44.62 5.32 78.49 45.83 3.86 80.03 45.22 4.59 79.26 2 0 17.72 -999 ? C1 EDO C 129 >ALA^A 89 46.15 3.31 75.64 46.15 4.08 74.32 46.15 3.69 74.98 2 0 18.22 -999 ? C2 EDO A 129 >ARG^A 90 49.49 -3.04 76.63 51.00 -5.65 77.18 50.24 -4.34 76.90 2 0 7.86 -999 ? C2 EDO D 128 >ILE^A 91 50.99 1.32 71.13 50.65 2.12 69.97 50.82 1.72 70.55 3 0 15.30 -999 ? C2 EDO D 128 >ASP^A 92 52.71 -4.21 71.76 52.39 -4.36 73.82 52.55 -4.28 72.79 2 0 8.56 -999 ? C2 EDO D 128 >THR^A 93 55.57 -2.43 68.44 55.70 -0.42 67.57 55.64 -1.42 68.01 2 0 14.48 -999 ? O2 EDO A 129 >ASP^A 94 57.47 -6.34 66.42 56.69 -7.68 67.88 57.08 -7.01 67.15 2 0 8.84 -999 ? O2 EDO D 128 >ASP^A 95 60.61 -5.20 63.58 60.76 -7.27 64.13 60.69 -6.23 63.85 2 0 13.62 -999 ? O2 EDO D 128 >ILE^A 96 59.97 0.29 65.74 59.47 1.36 66.47 59.72 0.83 66.11 3 0 12.62 -999 ? O2 EDO A 129 >SER.A 97 64.64 0.62 64.32 64.21 2.98 63.92 64.42 1.80 64.12 2 0 10.86 -999 ? C2 EDO F 130 >GLY.A 98 65.90 -2.65 65.85 65.26 -2.27 66.16 65.58 -2.46 66.01 1 0 14.82 -999 ? O2 EDO A 129 >PHE^A 99 64.83 -0.14 69.79 67.26 1.23 70.27 66.05 0.54 70.03 3 0 9.98 -999 ? O2 EDO A 129 >ARG^A 100 59.13 -7.48 71.69 57.30 -9.57 73.09 58.22 -8.53 72.39 2 0 5.70 -999 ? C2 EDO D 128 >PHE^A 101 59.79 0.52 72.00 62.21 1.76 71.43 61.00 1.14 71.72 3 0 9.05 -999 ? O2 EDO A 129 >THR^A 102 55.51 -1.50 74.95 54.46 -3.02 76.01 54.98 -2.26 75.48 2 0 10.04 -999 ? C2 EDO D 128 >ASP^A 103 54.03 2.89 73.99 55.78 3.09 72.87 54.90 2.99 73.43 2 0 10.37 -999 ? O2 EDO A 129 >PHE^A 104 51.61 1.56 79.39 51.68 -1.17 79.92 51.65 0.20 79.65 3 0 14.02 -999 ? C2 EDO D 128 >PHE^A 105 50.26 6.48 74.33 52.17 5.94 72.38 51.22 6.21 73.35 3 0 12.80 -999 ? C2 EDO A 129 >ASN^A 106 48.00 9.71 80.14 47.94 8.43 81.87 47.97 9.07 81.01 2 0 14.01 -999 ? C3 PEG B 129 >LEU^A 107 44.72 10.28 75.32 45.47 8.82 73.85 45.09 9.55 74.59 3 0 18.14 -999 ? C3 PEG B 129 >LEU^A 108 43.11 14.90 78.09 43.40 14.81 80.23 43.25 14.86 79.16 3 0 11.77 -999 ? C3 PEG B 129 >LYS^A 109 39.96 15.14 74.93 34.29 13.81 72.24 37.13 14.48 73.59 2 0 18.47 -999 ? O2 EDO C 129 >VAL^A 110 40.91 18.82 74.70 42.81 19.62 75.46 41.86 19.22 75.08 3 0 14.32 -999 ? O2 PEG B 129 >GLU.A 111 39.07 23.53 73.63 39.28 25.48 72.90 39.18 24.51 73.27 2 0 17.60 -999 ? O2 PEG B 129 >GLY.A 112 36.95 18.22 71.08 37.71 18.19 71.21 37.33 18.21 71.15 1 0 20.06 -999 ? O2 PEG B 129 >TRP^A 114 39.39 11.59 71.27 39.26 10.83 75.15 39.32 11.21 73.21 3 0 18.46 -999 ? O2 EDO C 129 >THR^A 115 45.72 14.54 72.61 46.39 16.49 73.36 46.06 15.51 72.99 2 0 15.90 -999 ? O2 PEG B 129 >VAL^A 116 48.59 12.63 74.23 49.80 10.92 73.59 49.19 11.77 73.91 3 0 14.13 -999 ? C2 EDO A 129 >VAL^A 117 49.84 14.24 77.44 48.05 14.87 78.57 48.94 14.56 78.01 3 0 12.35 -999 ? C1 PEG B 129 >SER^A 118 52.13 11.40 78.61 52.82 9.94 80.52 52.47 10.67 79.57 2 0 11.75 -999 ? C1 EDO A 129 >LYS^A 119 53.96 8.53 76.95 57.69 6.11 72.46 55.83 7.32 74.70 2 0 7.31 -999 ? O2 EDO A 129 >ILE^A 120 55.80 5.66 80.40 55.08 5.47 81.58 55.44 5.57 80.99 3 0 11.03 -999 ? C1 EDO A 129 >TYR^A 121 59.75 3.92 76.36 62.20 5.19 76.87 60.97 4.56 76.62 3 0 5.92 -999 ? O2 EDO A 129 >HIS^A 122 59.77 -2.57 79.26 61.17 -4.03 79.82 60.47 -3.30 79.54 3 0 8.73 -999 ? O1 EDO A 128 >THR^A 123 62.24 -1.49 75.82 63.81 -0.26 74.97 63.02 -0.88 75.40 2 0 9.49 -999 ? O2 EDO A 129 >HIS.A 124 59.70 -5.87 75.19 57.74 -5.79 75.93 58.72 -5.83 75.56 3 0 9.15 -999 ? C2 EDO D 128 >PRO.A 125 64.29 -8.84 76.94 64.73 -7.01 75.72 64.51 -7.92 76.33 3 0 12.70 -999 ? C2 EDO D 128 >SER.A 126 66.89 -7.74 72.08 68.49 -5.90 72.21 67.69 -6.82 72.14 2 0 15.94 -999 ? O2 EDO A 129 >ASN.B 3 64.40 -12.60 88.67 64.65 -14.45 89.75 64.53 -13.53 89.21 2 0 11.47 -999 ? O2 EDO A 128 >THR.B 4 59.86 -10.79 89.44 59.84 -8.96 90.62 59.85 -9.87 90.03 2 0 7.71 -999 ? O2 EDO A 128 >THR~B 5 56.37 -12.17 88.89 55.99 -13.54 90.48 56.18 -12.86 89.68 2 0 13.65 -999 ? O2 EDO A 128 >TYR~B 6 51.43 -9.75 86.23 50.06 -7.79 84.88 50.75 -8.77 85.55 3 0 10.55 -999 ? O1 EDO D 128 >VAL~B 7 51.85 -10.71 91.36 50.79 -12.36 92.38 51.32 -11.53 91.87 3 0 15.47 -999 ? O1 EDO D 128 >GLN~B 8 56.60 -11.31 93.59 58.51 -12.18 93.30 57.55 -11.74 93.44 2 0 11.66 -999 ? O2 EDO A 128 >GLU~B 9 56.76 -6.64 88.97 58.45 -5.49 89.75 57.61 -6.07 89.36 2 0 6.63 -999 ? O2 EDO A 128 >TYR~B 10 48.86 -6.38 91.39 46.30 -5.55 92.03 47.58 -5.97 91.71 3 0 12.60 -999 ? C2 EDO C 130 >HIS~B 11 50.65 -7.80 95.89 48.83 -8.85 95.90 49.74 -8.32 95.89 3 0 14.46 -999 ? O2 EDO C 130 >ALA~B 12 54.56 -3.28 94.81 55.88 -3.55 94.07 55.22 -3.41 94.44 2 0 9.83 -999 ? O2 EDO A 128 >ILE~B 13 52.09 -1.12 91.13 52.10 -0.90 89.76 52.09 -1.01 90.45 3 0 12.49 -999 ? C1 EDO A 128 >VAL~B 14 49.50 -1.17 94.91 47.78 -2.48 95.20 48.64 -1.83 95.06 3 0 11.85 -999 ? C2 EDO C 130 >VAL~B 16 52.58 3.03 95.84 54.17 3.48 94.37 53.37 3.26 95.11 3 0 13.62 -999 ? C1 EDO A 128 >LEU~B 17 48.28 2.90 93.58 48.50 3.10 91.44 48.39 3.00 92.51 3 0 12.92 -999 ? C2 EDO C 130 >SER~B 18 47.75 3.16 98.20 47.55 2.00 100.39 47.65 2.58 99.30 2 0 11.81 -999 ? C2 EDO C 130 >LYS~B 19 49.68 6.28 99.32 55.86 4.88 99.28 52.77 5.58 99.30 2 0 13.49 -999 ? O2 EDO B 128 >TYR~B 20 46.85 8.75 94.41 44.86 10.13 93.03 45.86 9.44 93.72 3 0 10.26 -999 ? O4 PEG B 129 >ASN~B 21 43.99 5.45 97.65 43.65 4.78 95.65 43.82 5.12 96.65 2 0 9.14 -999 ? C2 EDO C 130 >GLU~B 22 46.46 6.93 103.73 48.22 6.23 104.72 47.34 6.58 104.22 2 0 15.89 -999 ? C2 EDO C 130 >GLY~B 23 46.69 10.93 100.92 45.96 10.61 100.68 46.32 10.77 100.80 1 0 13.34 -999 ? O4 PEG B 129 >GLY~B 24 43.53 11.93 99.04 43.56 11.55 99.77 43.54 11.74 99.40 1 0 11.12 -999 ? O4 PEG B 129 >LYS~B 25 41.13 10.50 101.66 38.50 5.12 103.72 39.81 7.81 102.69 2 0 9.02 -999 ? O1 EDO C 130 >LYS~B 26 43.11 12.14 104.47 46.28 7.49 107.73 44.69 9.81 106.10 2 0 17.07 -999 ? C2 EDO C 130 >ALA.B 27 43.50 15.38 102.44 42.38 16.32 102.81 42.94 15.85 102.63 2 0 12.69 -999 ? O4 PEG B 129 >ASP~B 28 47.42 14.33 104.46 49.28 14.65 105.42 48.35 14.49 104.94 2 0 14.01 -999 ? O1 EDO B 128 >SER~B 29 49.70 15.76 100.39 50.97 17.84 100.43 50.33 16.80 100.41 2 0 8.49 -999 ? O1 EDO B 128 >THR~B 30 52.61 14.51 102.56 52.51 15.51 104.48 52.56 15.01 103.52 2 0 11.34 -999 ? O1 EDO B 128 >ILE~B 31 49.87 10.53 103.08 49.16 9.72 104.09 49.51 10.12 103.58 3 0 14.59 -999 ? O2 EDO B 128 >MET?B 32 50.92 10.85 98.68 48.33 13.32 96.40 49.62 12.09 97.54 2 0 9.03 -999 ? O4 PEG B 129 >ARG~B 33 56.67 15.43 99.03 55.90 18.02 97.60 56.29 16.72 98.32 2 0 -3.31 -999 ? O1 EDO B 128s >PRO.B 34 55.83 9.55 100.28 55.90 10.19 98.13 55.86 9.87 99.21 3 0 9.26 -999 ? O2 EDO B 128 >ALA.B 35 54.27 8.04 95.16 52.73 7.88 95.22 53.50 7.96 95.19 2 0 10.36 -999 ? O2 EDO B 128 >PHE^B 36 52.91 11.61 92.55 50.15 11.18 92.51 51.53 11.39 92.53 3 0 8.15 -999 ? O2 EDO B 128 >SER^B 37 58.38 11.44 90.69 59.69 11.80 88.77 59.04 11.62 89.73 2 0 7.27 -999 ? O2 EDO B 128 >SER^B 38 59.50 15.13 91.10 61.87 15.29 90.48 60.69 15.21 90.79 2 0 -5.54 -999 ? O2 EDO B 128s >GLN^B 39 61.39 15.30 86.67 62.92 14.28 85.67 62.15 14.79 86.17 2 0 9.83 -999 ? C2 EDO B 128 >ALA^B 40 55.34 14.04 87.45 54.70 13.31 88.65 55.02 13.67 88.05 2 0 6.59 -999 ? O2 EDO B 128 >THR^B 41 52.52 15.95 85.82 53.10 16.00 83.76 52.81 15.98 84.79 2 0 8.11 -999 ? O1 PEG B 129 >ILE^B 42 48.25 16.40 87.85 47.40 16.97 88.80 47.83 16.69 88.32 3 0 -4.02 -999 ? C3 PEG B 129s >PHE^B 43 48.04 17.81 82.06 50.30 19.38 81.71 49.17 18.59 81.88 3 0 7.04 -999 ? C1 PEG B 129 >GLY^B 44 42.58 17.06 83.04 43.01 17.77 82.76 42.80 17.41 82.90 1 0 7.69 -999 ? C4 PEG B 129 >VAL^B 45 40.06 19.11 81.06 39.41 18.29 79.09 39.74 18.70 80.08 3 0 10.96 -999 ? C4 PEG B 129 >ASP.B 46 38.84 23.48 82.85 38.94 24.73 81.13 38.89 24.11 81.99 2 0 10.98 -999 ? O2 PEG B 129 >VAL.B 47 34.52 23.11 82.05 33.20 24.67 82.86 33.86 23.89 82.45 3 0 13.57 -999 ? C4 PEG B 129 >ASP.B 48 36.22 26.29 78.81 35.07 27.75 79.83 35.65 27.02 79.32 2 0 15.60 -999 ? O2 PEG B 129 >ASN.B 49 36.43 21.42 76.22 34.36 21.02 76.45 35.40 21.22 76.34 2 0 16.86 -999 ? C4 PEG B 129 >LYS.B 50 40.60 23.22 77.95 39.42 29.17 76.33 40.01 26.19 77.14 2 0 16.01 -999 ? O2 PEG B 129 >LEU^B 51 44.95 21.21 78.39 46.45 19.71 78.68 45.70 20.46 78.53 3 0 10.02 -999 ? O2 PEG B 129 >THR^B 52 44.24 22.15 82.89 42.69 22.33 84.46 43.47 22.24 83.67 2 0 5.55 -999 ? O2 PEG B 129 >GLY^B 53 47.12 21.16 85.09 47.37 21.75 84.55 47.24 21.45 84.82 1 0 -3.46 -999 ? O2 PEG B 129s >GLY^B 54 50.91 21.05 85.05 50.59 20.44 85.54 50.75 20.74 85.30 1 0 -3.54 -999 ? O1 PEG B 129s >PRO^B 55 54.56 22.13 87.06 53.20 20.38 87.11 53.88 21.26 87.08 3 0 -4.04 -999 ? O1 PEG B 129s >ILE~B 56 53.01 16.12 90.50 52.56 15.59 90.71 52.79 15.86 90.61 3 0 5.55 -999 ? O2 EDO B 128 >GLN~B 57 53.91 22.20 94.17 54.18 21.23 96.05 54.04 21.72 95.11 2 0 -3.65 -999 ? O1 EDO B 128s >GLY~B 58 49.58 21.56 91.75 49.73 20.85 92.10 49.65 21.20 91.92 1 0 -3.43 -999 ? C1 PEG B 129s >LEU~B 59 48.28 16.95 92.42 47.09 15.14 92.86 47.68 16.05 92.64 3 0 4.86 -999 ? O4 PEG B 129 >PHE~B 60 51.68 17.37 96.02 53.02 15.13 94.97 52.35 16.25 95.49 3 0 5.56 -999 ? O2 EDO B 128 >ASP~B 61 48.56 23.36 95.64 50.63 23.92 95.68 49.60 23.64 95.66 2 0 7.58 -999 ? O1 PEG B 129 >VAL~B 62 44.64 21.19 95.78 43.49 20.71 93.97 44.06 20.95 94.87 3 0 -4.64 -999 ? O4 PEG B 129s >ILE~B 63 45.81 17.08 98.33 44.94 15.87 98.21 45.38 16.48 98.27 3 0 8.14 -999 ? O4 PEG B 129 >ASP~B 64 47.66 21.04 101.08 49.00 19.39 101.24 48.33 20.21 101.16 2 0 10.35 -999 ? O1 EDO B 128 >ASN~B 65 44.85 24.80 99.46 46.93 25.08 99.95 45.89 24.94 99.71 2 0 11.32 -999 ? O4 PEG B 129 >VAL~B 66 40.85 22.51 98.71 40.29 23.05 96.63 40.57 22.78 97.67 3 0 8.86 -999 ? O4 PEG B 129 >PHE.B 67 40.57 17.26 97.99 40.12 16.43 95.37 40.35 16.84 96.68 3 0 7.70 -999 ? O4 PEG B 129 >HIS.B 68 36.50 18.00 103.18 34.80 17.16 102.27 35.65 17.58 102.72 3 0 15.07 -999 ? O4 PEG B 129 >PRO.B 69 40.30 15.63 106.95 39.33 15.19 104.95 39.81 15.41 105.95 3 0 16.45 -999 ? O4 PEG B 129 >SER.B 70 36.71 12.21 103.42 36.68 13.68 101.50 36.69 12.94 102.46 2 0 14.47 -999 ? O4 PEG B 129 >PRO.B 71 34.97 10.56 107.05 36.24 9.83 105.36 35.61 10.19 106.21 3 0 13.70 -999 ? O1 EDO C 130 >GLU.B 72 31.17 8.63 104.33 30.62 6.72 105.15 30.90 7.68 104.74 2 0 11.26 -999 ? O1 EDO C 130 >ALA.B 73 35.82 8.00 100.17 37.08 8.87 100.01 36.45 8.44 100.09 2 0 9.82 -999 ? O1 EDO C 130 >LYS^B 74 35.94 4.65 98.37 32.76 3.38 102.34 34.35 4.01 100.35 2 0 6.47 -999 ? O1 EDO C 130 >ALA^B 75 38.72 3.84 95.84 40.11 4.39 96.10 39.41 4.12 95.97 2 0 -6.56 -999 ? C2 EDO C 130s >ALA^B 76 38.99 0.93 93.39 37.73 0.54 92.68 38.36 0.73 93.04 2 0 4.30 -999 ? C1 EDO C 130 >ILE^B 77 43.59 -0.28 92.28 44.99 0.09 92.60 44.29 -0.10 92.44 3 0 8.53 -999 ? C2 EDO C 130 >ALA^B 78 40.33 -1.08 88.54 39.56 -0.14 87.63 39.95 -0.61 88.09 2 0 9.36 -999 ? C2 EDO C 130 >ARG^B 79 43.92 -1.85 82.63 44.89 1.12 82.48 44.41 -0.37 82.56 2 0 15.82 -999 ? C1 EDO C 129 >ILE^B 80 47.92 -2.66 87.91 48.75 -2.19 89.08 48.34 -2.42 88.50 3 0 14.02 -999 ? C2 EDO C 130 >ASP^B 81 48.65 -2.59 82.06 47.14 -3.17 80.88 47.89 -2.88 81.47 2 0 12.54 -999 ? C1 EDO D 128 >ILE^B 82 52.87 -4.92 85.26 53.18 -5.04 86.66 53.02 -4.98 85.96 3 0 12.05 -999 ? O1 EDO A 128 >VAL^B 83 55.22 -4.75 81.25 54.62 -5.01 79.14 54.92 -4.88 80.19 3 0 9.89 -999 ? C2 EDO D 128 >GLY.B 84 58.79 -4.81 82.51 58.13 -4.43 82.83 58.46 -4.62 82.67 1 0 8.20 -999 ? O1 EDO A 128 >THR.B 85 59.72 -1.40 83.91 61.65 -0.98 82.91 60.69 -1.19 83.41 2 0 4.77 -999 ? O1 EDO A 128 >ALA^B 86 56.47 0.27 82.80 56.44 0.62 81.29 56.45 0.45 82.04 2 0 9.62 -999 ? O1 EDO A 128 >ALA^B 87 52.92 0.15 84.16 52.91 -0.33 85.63 52.92 -0.09 84.89 2 0 11.32 -999 ? O1 EDO A 128 >SER^B 88 49.57 1.81 83.67 48.29 0.91 81.80 48.93 1.36 82.74 2 0 16.10 -999 ? C1 EDO D 128 >ALA^B 89 46.86 1.93 86.31 47.37 2.06 87.75 47.12 1.99 87.03 2 0 14.08 -999 ? C2 EDO C 130 >ARG^B 90 39.70 2.42 84.90 36.76 2.67 84.08 38.23 2.54 84.49 2 0 7.89 -999 ? C1 EDO C 129 >ILE^B 91 42.68 4.82 90.93 43.52 4.72 92.18 43.10 4.77 91.56 3 0 10.01 -999 ? C2 EDO C 130 >ASP^B 92 36.97 4.29 89.81 37.09 3.98 87.73 37.03 4.14 88.77 2 0 8.76 -999 ? C1 EDO C 129 >THR^B 93 37.22 7.11 93.49 38.87 7.94 94.68 38.04 7.52 94.09 2 0 9.15 -999 ? C1 EDO C 130 >ASP^B 94 32.72 6.71 95.15 31.88 5.82 93.42 32.30 6.26 94.29 2 0 7.89 -999 ? C1 EDO C 130 >ASP^B 95 31.97 9.83 98.36 30.09 9.37 97.49 31.03 9.60 97.93 2 0 10.87 -999 ? O1 EDO C 130 >ILE^B 96 37.47 11.66 96.99 38.71 11.65 96.33 38.09 11.66 96.66 3 0 11.55 -999 ? O4 PEG B 129 >SER.B 97 35.69 15.83 98.96 37.97 16.33 99.73 36.83 16.08 99.34 2 0 11.55 -999 ? O4 PEG B 129 >GLY.B 98 32.36 15.84 97.05 33.00 15.49 96.74 32.68 15.66 96.90 1 0 14.13 -999 ? O4 PEG B 129 >PHE^B 99 35.42 16.41 93.46 35.80 19.18 93.46 35.61 17.80 93.46 3 0 9.44 -999 ? O4 PEG B 129 >ARG^B 100 30.79 9.07 90.91 30.56 7.19 88.48 30.68 8.13 89.70 2 0 7.07 -999 ? O1 EDO C 129 >PHE^B 101 38.23 12.53 90.70 38.29 15.10 91.77 38.26 13.81 91.24 3 0 8.23 -999 ? O4 PEG B 129 >THR^B 102 38.43 8.20 87.14 37.56 6.77 85.79 38.00 7.49 86.47 2 0 10.41 -999 ? C1 EDO C 129 >ASP^B 103 43.00 8.57 88.53 42.32 10.04 89.89 42.66 9.31 89.21 2 0 9.38 -999 ? O4 PEG B 129 >PHE^B 104 43.24 6.55 82.82 40.79 5.56 81.90 42.02 6.06 82.36 3 0 14.25 -999 ? C1 EDO C 129 >PHE^B 105 47.83 6.85 88.36 46.35 8.14 90.32 47.09 7.50 89.34 3 0 11.98 -999 ? O4 PEG B 129 >ASN^B 106 52.22 6.76 82.86 51.17 6.44 81.06 51.70 6.60 81.96 2 0 14.18 -999 ? C2 EDO A 129 >LEU^B 107 53.79 3.54 87.44 51.97 3.31 88.65 52.88 3.42 88.05 3 0 11.98 -999 ? O1 EDO A 128 >LEU^B 108 58.88 4.46 85.19 58.85 4.88 83.03 58.86 4.67 84.11 3 0 7.89 -999 ? O1 EDO A 128 >LYS^B 109 60.14 1.15 88.07 61.17 -4.81 90.23 60.66 -1.83 89.15 2 0 -3.94 -999 ? O2 EDO A 128s >VAL^B 110 63.03 3.52 88.82 63.00 5.67 88.30 63.01 4.59 88.56 3 0 5.43 -999 ? O1 EDO A 128 >GLU.B 111 67.53 4.23 90.52 68.14 6.12 91.27 67.84 5.18 90.89 2 0 8.53 -999 ? C1 EDO A 128 >GLY.B 112 63.89 -0.75 91.93 63.57 -0.02 91.90 63.73 -0.38 91.92 1 0 -3.35 -999 ? O2 EDO A 128s >LYS^B 113 60.91 1.32 93.04 60.88 -0.76 98.15 60.90 0.28 95.60 2 0 9.65 -999 ? O2 EDO A 128 >TRP^B 114 56.85 -1.24 91.16 56.58 -1.26 87.24 56.72 -1.25 89.20 3 0 7.73 -999 ? C1 EDO A 128 >THR^B 115 56.89 5.81 90.79 58.48 7.26 90.30 57.68 6.53 90.54 2 0 10.15 -999 ? O1 EDO A 128 >VAL^B 116 54.13 7.82 89.08 51.99 8.06 89.67 53.06 7.94 89.38 3 0 10.78 -999 ? O2 EDO B 128 >VAL^B 117 55.24 10.11 86.24 56.57 8.88 85.02 55.90 9.49 85.63 3 0 10.87 -999 ? O2 EDO B 128 >SER^B 118 51.73 11.08 84.99 50.37 11.35 82.91 51.05 11.22 83.95 2 0 11.38 -999 ? C1 PEG B 129 >LYS^B 119 48.22 11.28 86.35 44.12 13.23 90.85 46.17 12.26 88.60 2 0 5.92 -999 ? O4 PEG B 129 >ILE^B 120 45.18 12.16 82.71 45.46 11.63 81.48 45.32 11.90 82.10 3 0 10.99 -999 ? C3 PEG B 129 >TYR^B 121 41.60 14.39 86.84 41.75 17.17 86.80 41.67 15.78 86.82 3 0 5.81 -999 ? O4 PEG B 129 >HIS^B 122 35.92 12.15 83.14 34.03 12.87 82.56 34.98 12.51 82.85 3 0 13.72 -999 ? C1 EDO C 129 >THR^B 123 35.63 14.33 86.87 36.03 16.16 88.00 35.83 15.25 87.44 2 0 9.36 -999 ? O4 PEG B 129 >HIS.B 124 32.71 10.15 86.78 33.73 8.59 85.83 33.22 9.37 86.31 3 0 9.88 -999 ? C1 EDO C 129 >PRO.B 125 28.19 13.42 85.31 29.60 14.36 86.81 28.89 13.89 86.06 3 0 13.39 -999 ? O1 EDO C 129 >THR.C 4 25.33 1.97 90.65 24.93 -0.14 90.49 25.13 0.92 90.57 2 0 -5.30 -999 ? O1 EDO C 129s >THR~C 5 28.85 3.28 90.29 29.33 4.42 92.08 29.09 3.85 91.18 2 0 -6.48 -999 ? O1 EDO C 129s >TYR~C 6 34.21 1.10 87.98 36.20 -0.85 87.78 35.21 0.12 87.88 3 0 -6.20 -999 ? C1 EDO C 129s >VAL~C 7 33.42 1.46 92.53 34.51 2.96 93.74 33.97 2.21 93.13 3 0 -4.50 -999 ? C1 EDO C 130s >GLN~C 8 28.68 1.65 94.75 26.76 2.52 94.48 27.72 2.08 94.61 2 0 8.07 -999 ? O1 EDO C 129 >GLU~C 9 28.48 -2.08 89.39 26.83 -3.33 89.95 27.65 -2.70 89.67 2 0 -5.28 -999 ? O1 EDO C 129s >TYR~C 10 36.43 -2.67 91.75 38.98 -3.63 92.26 37.70 -3.15 92.01 3 0 4.94 -999 ? C2 EDO C 130 >HIS~C 11 32.82 -3.47 97.66 32.78 -4.06 99.67 32.80 -3.77 98.67 3 0 -4.14 -999 ? O1 EDO C 130s >ALA~C 12 30.75 -6.50 94.57 29.38 -6.16 93.94 30.07 -6.33 94.26 2 0 8.41 -999 ? O2 EDO C 130 >ILE~C 13 33.22 -7.91 90.61 33.21 -7.95 89.13 33.22 -7.93 89.87 3 0 9.31 -999 ? O2 EDO C 130 >VAL~C 14 35.90 -8.47 94.29 37.61 -7.16 94.79 36.76 -7.81 94.54 3 0 5.65 -999 ? O2 EDO C 130 >VAL~C 16 32.86 -12.79 94.55 31.26 -13.04 93.02 32.06 -12.91 93.78 3 0 11.57 -999 ? O2 EDO C 130 >LEU~C 17 37.12 -12.27 92.23 36.73 -12.14 90.08 36.93 -12.20 91.15 3 0 11.11 -999 ? O2 EDO C 130 >SER~C 18 37.81 -13.29 96.74 38.30 -11.06 97.49 38.06 -12.18 97.11 2 0 8.64 -999 ? O2 EDO C 130 >LYS~C 19 35.85 -16.50 97.39 29.64 -15.31 97.88 32.75 -15.90 97.63 2 0 14.42 -999 ? O2 EDO C 130 >TYR~C 20 38.57 -18.04 92.05 40.42 -19.31 90.42 39.50 -18.67 91.23 3 0 17.23 -999 ? O2 EDO C 130 >ASN~C 21 41.59 -15.46 95.86 41.76 -14.41 94.02 41.67 -14.93 94.94 2 0 13.19 -999 ? O2 EDO C 130 >GLU~C 22 39.24 -18.19 101.59 37.56 -17.53 102.77 38.40 -17.86 102.18 2 0 16.06 -999 ? O2 EDO C 130 >GLY~C 23 38.94 -21.51 97.97 39.67 -21.12 97.82 39.30 -21.32 97.90 1 0 19.05 -999 ? O2 EDO C 130 >GLY~C 24 42.10 -22.01 95.92 42.04 -21.82 96.72 42.07 -21.92 96.32 1 0 20.18 -999 ? O2 EDO C 130 >LYS~C 25 44.46 -21.11 98.76 47.80 -17.80 101.93 46.13 -19.45 100.35 2 0 19.59 -999 ? O2 EDO C 130 >LYS~C 26 42.64 -23.34 101.26 39.58 -19.21 104.86 41.11 -21.27 103.06 2 0 18.67 -999 ? O2 EDO C 130 >ALA~C 27 42.12 -26.08 98.62 43.21 -27.09 98.69 42.67 -26.59 98.65 2 0 25.42 -999 ? O2 EDO C 130 >ASP~C 28 38.17 -25.53 100.89 36.29 -25.98 101.74 37.23 -25.75 101.32 2 0 23.84 -999 ? O2 EDO C 130 >SER~C 29 35.95 -26.02 96.61 34.82 -28.11 96.16 35.39 -27.07 96.38 2 0 25.52 -999 ? O2 EDO C 130 >THR~C 30 33.01 -25.23 98.93 33.01 -26.54 100.67 33.01 -25.88 99.80 2 0 24.45 -999 ? O2 EDO C 130 >ILE~C 31 35.75 -21.39 100.14 36.59 -20.85 101.20 36.17 -21.12 100.67 3 0 18.87 -999 ? O2 EDO C 130 >MET?C 32 34.54 -20.91 95.83 37.20 -22.94 93.13 35.87 -21.92 94.48 2 0 20.63 -999 ? O2 EDO C 130 >ARG~C 33 29.04 -25.67 95.49 29.76 -27.98 93.57 29.40 -26.82 94.53 2 0 -22.78 -999 ? O2 EDO C 128s >PRO.C 34 29.42 -20.26 97.67 29.64 -20.24 95.43 29.53 -20.25 96.55 3 0 17.66 -999 ? O2 EDO C 128 >ALA.C 35 31.11 -17.52 92.81 32.68 -17.22 92.86 31.90 -17.37 92.83 2 0 15.57 -999 ? O2 EDO C 130 >PHE^C 36 32.39 -20.71 89.64 35.14 -20.19 89.66 33.77 -20.45 89.65 3 0 18.07 -999 ? O2 EDO C 128 >SER^C 37 26.90 -20.14 87.87 25.58 -20.17 85.84 26.24 -20.15 86.86 2 0 13.15 -999 ? O2 EDO C 128 >SER^C 38 25.60 -23.76 87.65 23.29 -23.69 86.94 24.45 -23.73 87.29 2 0 15.93 -999 ? O2 EDO C 128 >GLN^C 39 23.63 -23.14 83.46 21.98 -21.99 82.68 22.81 -22.56 83.07 2 0 14.81 -999 ? O2 EDO C 128 >ALA^C 40 29.82 -22.11 84.34 30.47 -21.56 85.66 30.14 -21.83 85.00 2 0 16.69 -999 ? O2 EDO C 128 >THR^C 41 32.66 -23.70 82.39 32.08 -23.42 80.33 32.37 -23.56 81.36 2 0 20.28 -999 ? O2 EDO C 128 >ILE^C 42 37.01 -24.59 84.11 37.98 -25.36 84.86 37.50 -24.97 84.49 3 0 19.96 -999 ? O1 EDO D 128 >PHE^C 43 37.03 -24.73 78.16 34.65 -26.01 77.47 35.84 -25.37 77.81 3 0 19.98 -999 ? O1 EDO D 128 >GLY^C 44 42.61 -24.24 79.28 42.19 -24.94 78.89 42.40 -24.59 79.08 1 0 14.23 -999 ? O1 EDO D 128 >VAL^C 45 45.10 -25.98 77.01 45.74 -24.93 75.20 45.42 -25.46 76.11 3 0 13.23 -999 ? O1 EDO D 128 >ASP.C 46 46.31 -30.58 78.05 46.20 -31.52 76.13 46.25 -31.05 77.09 2 0 18.37 -999 ? O1 EDO D 128 >VAL.C 47 50.56 -30.22 77.48 51.74 -32.01 77.97 51.15 -31.11 77.73 3 0 16.97 -999 ? O1 EDO D 128 >ASP.C 48 49.00 -32.71 73.63 50.01 -34.32 74.60 49.50 -33.51 74.11 2 0 20.34 -999 ? O1 EDO D 128 >ASN.C 49 48.80 -27.56 71.78 50.88 -27.28 72.13 49.84 -27.42 71.96 2 0 13.90 -999 ? O1 EDO D 128 >LYS.C 50 44.57 -29.48 73.19 46.37 -33.29 69.92 45.47 -31.38 71.56 2 0 21.10 -999 ? O1 EDO D 128 >LEU^C 51 40.18 -27.58 73.95 38.70 -26.10 74.55 39.44 -26.84 74.25 3 0 18.23 -999 ? O1 EDO D 128 >THR^C 52 40.79 -29.35 78.15 42.24 -29.80 79.76 41.52 -29.58 78.95 2 0 18.84 -999 ? O1 EDO D 128 >GLY^C 53 37.89 -28.66 80.52 37.64 -29.14 79.87 37.76 -28.90 80.20 1 0 20.82 -999 ? O1 EDO D 128 >GLY^C 54 34.10 -28.50 80.47 34.48 -28.01 81.09 34.29 -28.26 80.78 1 0 23.51 -999 ? O1 EDO D 128 >PRO^C 55 30.61 -29.88 82.52 32.06 -28.24 82.83 31.33 -29.06 82.67 3 0 23.97 -999 ? O2 EDO C 128 >ILE~C 56 32.46 -24.64 86.87 32.92 -24.13 87.24 32.69 -24.38 87.05 3 0 20.21 -999 ? O2 EDO C 128 >GLN~C 57 32.01 -31.21 89.51 31.93 -30.61 91.58 31.97 -30.91 90.54 2 0 -25.56 -999 ? O2 EDO C 128s >GLY~C 58 36.14 -30.02 86.91 35.98 -29.36 87.41 36.06 -29.69 87.16 1 0 24.86 -999 ? O1 EDO D 128 >LEU~C 59 37.32 -25.61 88.56 38.50 -23.94 89.32 37.91 -24.78 88.94 3 0 21.71 -999 ? O1 EDO D 128 >PHE~C 60 33.92 -26.85 91.99 32.51 -24.48 91.47 33.22 -25.67 91.73 3 0 22.02 -999 ? O2 EDO C 128 >ASP~C 61 37.11 -32.60 90.37 35.08 -33.28 90.49 36.10 -32.94 90.43 2 0 29.19 -999 ? O2 EDO C 128 >VAL~C 62 41.09 -30.46 90.93 42.28 -29.56 89.31 41.69 -30.01 90.12 3 0 23.34 -999 ? O1 EDO D 128 >ILE~C 63 39.91 -26.98 94.18 40.76 -25.81 94.42 40.34 -26.40 94.30 3 0 24.19 -999 ? O2 EDO C 130 >ASP~C 64 37.99 -31.30 96.25 36.75 -29.74 96.89 37.37 -30.52 96.57 2 0 27.09 -999 ? O2 EDO C 130 >ASN~C 65 40.67 -34.83 93.93 38.57 -35.07 94.25 39.62 -34.95 94.09 2 0 30.57 -999 ? O1 EDO D 128 >VAL~C 66 44.69 -32.67 93.57 45.05 -32.74 91.42 44.87 -32.70 92.50 3 0 25.47 -999 ? O1 EDO D 128 >PHE.C 67 45.03 -27.28 93.74 45.51 -25.93 91.36 45.27 -26.61 92.55 3 0 21.36 -999 ? O1 EDO D 128 >HIS.C 68 48.63 -30.69 98.46 49.07 -32.52 97.53 48.85 -31.60 98.00 3 0 27.74 -999 ? O1 EDO D 128 >PRO.C 69 45.29 -27.43 102.62 46.37 -26.62 100.81 45.83 -27.02 101.72 3 0 26.56 -999 ? O2 EDO C 130 >SER.C 70 48.84 -23.24 100.03 48.88 -24.17 97.83 48.86 -23.71 98.93 2 0 23.64 -999 ? O1 EDO D 128 >PRO.C 71 50.76 -22.44 103.87 49.35 -21.39 102.47 50.05 -21.91 103.17 3 0 24.41 -999 ? O2 EDO C 130 >GLU.C 72 54.15 -19.77 102.06 53.95 -18.35 103.65 54.05 -19.06 102.86 2 0 23.43 -999 ? O2 EDO A 128 >ALA.C 73 49.73 -18.48 97.75 48.48 -19.29 97.39 49.11 -18.88 97.57 2 0 20.52 -999 ? O2 EDO C 130 >LYS^C 74 49.42 -14.83 96.62 54.58 -13.45 99.36 52.00 -14.14 97.99 2 0 17.52 -999 ? O2 EDO A 128 >ALA^C 75 46.76 -13.60 94.21 45.38 -14.15 94.42 46.07 -13.88 94.31 2 0 14.74 -999 ? O2 EDO C 130 >ALA^C 76 46.39 -10.32 92.34 47.67 -9.73 91.67 47.03 -10.02 92.00 2 0 14.21 -999 ? O2 EDO C 130 >ILE^C 77 41.75 -8.92 91.54 40.36 -9.28 91.88 41.05 -9.10 91.71 3 0 9.42 -999 ? O2 EDO C 130 >ALA^C 78 45.00 -7.46 87.96 45.71 -8.27 86.89 45.36 -7.87 87.42 2 0 13.58 -999 ? O1 EDO D 128 >ARG^C 79 41.30 -5.70 82.24 40.45 -8.64 81.57 40.87 -7.17 81.90 2 0 13.76 -999 ? C1 EDO D 128 >ILE^C 80 37.36 -5.84 87.65 36.55 -6.60 88.71 36.96 -6.22 88.18 3 0 9.35 -999 ? O2 EDO C 130 >ASP^C 81 36.60 -4.78 81.88 38.24 -4.11 80.95 37.42 -4.44 81.41 2 0 10.93 -999 ? C1 EDO C 129 >ILE^C 82 32.28 -3.11 85.44 31.98 -3.35 86.82 32.13 -3.23 86.13 3 0 4.46 -999 ? C1 EDO C 129 >VAL^C 83 30.03 -2.65 81.42 30.62 -2.02 79.38 30.32 -2.34 80.40 3 0 4.39 -999 ? O2 EDO C 129 >GLY.C 84 26.51 -2.70 82.72 27.13 -3.19 82.89 26.82 -2.95 82.81 1 0 -3.65 -999 ? O2 EDO C 129s >THR.C 85 25.51 -6.33 83.41 23.62 -6.59 82.38 24.56 -6.46 82.90 2 0 5.66 -999 ? C2 EDO C 128 >ALA^C 86 28.74 -7.84 82.04 28.78 -8.00 80.50 28.76 -7.92 81.27 2 0 8.79 -999 ? O2 EDO C 129 >ALA^C 87 32.31 -7.88 83.34 32.31 -7.61 84.86 32.31 -7.74 84.10 2 0 8.34 -999 ? C2 EDO C 129 >SER^C 88 35.68 -9.40 82.69 36.89 -8.20 80.95 36.29 -8.80 81.82 2 0 12.18 -999 ? O2 EDO C 129 >ALA^C 89 38.42 -10.04 85.22 37.87 -10.33 86.62 38.14 -10.19 85.92 2 0 12.84 -999 ? O2 EDO C 130 >ARG^C 90 45.51 -10.21 83.71 48.44 -10.33 82.86 46.98 -10.27 83.28 2 0 8.31 -999 ? O1 EDO D 128 >ILE^C 91 42.65 -13.62 89.26 41.88 -13.77 90.54 42.27 -13.70 89.90 3 0 14.26 -999 ? O2 EDO C 130 >ASP^C 92 48.34 -12.90 88.19 48.24 -12.39 86.15 48.29 -12.64 87.17 2 0 10.51 -999 ? O1 EDO D 128 >THR^C 93 48.21 -16.32 91.36 46.60 -17.37 92.39 47.40 -16.85 91.87 2 0 17.05 -999 ? O1 EDO D 128 >ASP^C 94 52.76 -16.37 93.08 53.56 -15.06 91.64 53.16 -15.71 92.36 2 0 15.05 -999 ? O1 EDO D 128 >ASP^C 95 53.36 -19.85 95.67 55.22 -19.08 94.99 54.29 -19.47 95.33 2 0 19.17 -999 ? O1 EDO D 128 >ILE^C 96 47.94 -21.63 93.98 46.73 -21.55 93.34 47.33 -21.59 93.66 3 0 19.20 -999 ? O1 EDO D 128 >SER.C 97 49.95 -26.03 95.01 47.71 -26.75 95.63 48.83 -26.39 95.32 2 0 23.21 -999 ? O1 EDO D 128 >GLY.C 98 53.24 -25.57 93.15 52.59 -25.17 92.89 52.91 -25.37 93.02 1 0 20.03 -999 ? O1 EDO D 128 >PHE^C 99 50.12 -25.53 89.50 49.72 -28.28 89.03 49.92 -26.90 89.26 3 0 18.04 -999 ? O1 EDO D 128 >ARG^C 100 53.87 -17.14 87.32 54.88 -14.45 86.18 54.38 -15.80 86.75 2 0 9.84 -999 ? O1 EDO D 128 >PHE^C 101 47.15 -21.25 87.64 47.20 -23.97 88.17 47.17 -22.61 87.90 3 0 14.96 -999 ? O1 EDO D 128 >THR^C 102 46.85 -16.36 84.97 47.68 -14.70 83.85 47.27 -15.53 84.41 2 0 8.60 -999 ? O1 EDO D 128 >ASP^C 103 42.29 -16.98 86.29 42.97 -18.69 87.26 42.63 -17.84 86.77 2 0 14.86 -999 ? O1 EDO D 128 >PHE^C 104 42.02 -13.91 81.04 44.48 -12.85 80.27 43.25 -13.38 80.66 3 0 9.99 -999 ? C1 EDO D 128 >PHE^C 105 37.39 -15.06 86.46 38.89 -16.66 88.19 38.14 -15.86 87.33 3 0 16.35 -999 ? O2 EDO C 130 >ASN^C 106 33.09 -14.19 81.00 34.07 -13.54 79.26 33.58 -13.87 80.13 2 0 15.45 -999 ? C2 EDO C 129 >LEU^C 107 31.46 -11.83 86.06 33.23 -11.94 87.34 32.35 -11.89 86.70 3 0 12.07 -999 ? O2 EDO C 128 >LEU^C 108 26.44 -12.24 83.61 26.37 -12.28 81.44 26.41 -12.26 82.52 3 0 8.40 -999 ? O2 EDO C 128 >LYS^C 109 25.09 -9.62 87.00 24.10 -4.23 90.18 24.60 -6.93 88.59 2 0 -4.11 -999 ? C1 EDO C 128s >VAL^C 110 22.26 -12.07 87.39 22.33 -14.08 86.52 22.29 -13.08 86.96 3 0 5.32 -999 ? O2 EDO C 128 >GLU.C 111 17.81 -13.17 88.88 16.51 -14.67 89.58 17.16 -13.92 89.23 2 0 8.40 -999 ? O2 EDO C 128 >GLY.C 112 21.33 -8.46 91.28 21.70 -9.11 91.04 21.52 -8.79 91.16 1 0 -3.38 -999 ? C1 EDO C 128s >LYS^C 113 24.38 -10.66 91.90 23.71 -9.27 97.04 24.05 -9.97 94.47 2 0 9.25 -999 ? C1 EDO C 128 >TRP^C 114 28.46 -7.77 90.53 28.67 -7.18 86.68 28.57 -7.48 88.60 3 0 7.75 -999 ? O2 EDO C 128 >THR^C 115 28.43 -14.65 88.96 26.88 -16.07 88.24 27.65 -15.36 88.60 2 0 10.11 -999 ? O2 EDO C 128 >VAL^C 116 31.14 -16.32 86.93 33.25 -16.78 87.41 32.20 -16.55 87.17 3 0 14.16 -999 ? O2 EDO C 128 >VAL^C 117 29.99 -18.09 83.74 28.57 -16.71 82.76 29.28 -17.40 83.25 3 0 13.22 -999 ? O2 EDO C 128 >SER^C 118 33.43 -18.84 82.28 34.70 -18.67 80.18 34.06 -18.76 81.23 2 0 18.49 -999 ? C1 EDO D 128 >LYS^C 119 36.99 -19.20 83.57 41.13 -21.66 87.53 39.06 -20.43 85.55 2 0 17.32 -999 ? O1 EDO D 128 >ILE^C 120 40.08 -19.46 79.88 39.76 -18.71 78.69 39.92 -19.08 79.29 3 0 13.63 -999 ? O1 EDO D 128 >TYR^C 121 43.61 -22.35 83.49 43.54 -25.04 82.90 43.57 -23.69 83.19 3 0 14.49 -999 ? O1 EDO D 128 >HIS^C 122 49.35 -19.49 80.26 51.25 -20.11 79.60 50.30 -19.80 79.93 3 0 6.79 -999 ? O1 EDO D 128 >THR^C 123 49.62 -22.34 83.56 49.27 -24.29 84.34 49.44 -23.31 83.95 2 0 13.04 -999 ? O1 EDO D 128 >HIS.C 124 52.53 -18.26 84.19 51.61 -16.46 83.64 52.07 -17.36 83.92 3 0 7.91 -999 ? O1 EDO D 128 >PRO.C 125 57.22 -20.90 82.39 55.81 -22.19 83.63 56.51 -21.55 83.01 3 0 10.54 -999 ? O1 EDO D 128 >ASN.D 3 59.39 -18.81 70.11 57.82 -19.90 69.12 58.60 -19.36 69.62 2 0 9.13 -999 ? O2 EDO D 128 >THR.D 4 55.94 -15.33 69.76 54.28 -16.67 69.73 55.11 -16.00 69.74 2 0 -5.04 -999 ? O2 EDO D 128s >THR~D 5 55.55 -11.66 70.48 56.48 -10.59 68.85 56.01 -11.13 69.67 2 0 -6.44 -999 ? O2 EDO D 128s >TYR~D 6 51.39 -8.44 73.57 49.09 -8.04 75.05 50.24 -8.24 74.31 3 0 5.36 -999 ? C2 EDO D 128 >VAL~D 7 52.08 -8.11 68.37 52.95 -6.39 67.40 52.51 -7.25 67.88 3 0 8.33 -999 ? O2 EDO D 128 >GLN~D 8 54.46 -12.09 65.82 56.11 -13.44 65.94 55.29 -12.77 65.88 2 0 8.10 -999 ? O2 EDO D 128 >GLU~D 9 50.65 -14.47 70.66 50.43 -16.35 69.70 50.54 -15.41 70.18 2 0 5.32 -999 ? O2 EDO D 128 >TYR~D 10 46.91 -7.35 68.81 44.98 -5.41 68.44 45.94 -6.38 68.62 3 0 11.06 -999 ? O2 EDO D 128 >HIS~D 11 48.56 -8.08 64.10 48.76 -5.99 64.22 48.66 -7.03 64.16 3 0 12.06 -999 ? O2 EDO D 128 >ALA~D 12 46.31 -13.72 65.11 47.15 -14.77 65.78 46.73 -14.24 65.44 2 0 9.67 -999 ? O2 EDO D 128 >ILE~D 13 43.67 -12.52 69.05 43.56 -12.74 70.47 43.62 -12.63 69.76 3 0 10.05 -999 ? O2 EDO D 128 >VAL~D 14 42.17 -10.01 65.55 42.61 -7.92 65.31 42.39 -8.97 65.43 3 0 7.89 -999 ? O2 EDO D 129 >VAL~D 16 39.65 -14.55 64.54 40.10 -16.21 65.90 39.87 -15.38 65.22 3 0 10.24 -999 ? O2 EDO D 129 >LEU~D 17 38.04 -10.77 67.15 38.22 -11.29 69.28 38.13 -11.03 68.22 3 0 8.84 -999 ? O2 EDO D 129 >SER~D 18 37.27 -10.06 62.59 37.95 -9.42 60.31 37.61 -9.74 61.45 2 0 -2.92 -999 ? O2 EDO D 129s >LYS~D 19 35.18 -13.06 61.50 39.32 -17.70 60.79 37.25 -15.38 61.14 2 0 11.17 -999 ? O2 EDO D 129 >TYR~D 20 32.15 -11.89 66.80 30.09 -10.85 68.39 31.12 -11.37 67.60 3 0 9.01 -999 ? C2 EDO D 129 >ASN~D 21 33.50 -7.61 63.66 34.22 -7.29 65.64 33.86 -7.45 64.65 2 0 -4.93 -999 ? C2 EDO D 129s >GLU~D 22 32.86 -10.17 57.46 34.14 -11.36 56.27 33.50 -10.76 56.87 2 0 -5.77 -999 ? C1 EDO D 129s >GLY~D 23 29.47 -12.40 60.38 29.49 -11.59 60.68 29.48 -11.99 60.53 1 0 7.14 -999 ? O1 EDO D 129 >GLY~D 24 27.58 -10.02 62.64 27.82 -9.91 61.85 27.70 -9.96 62.24 1 0 7.08 -999 ? O1 EDO D 129 >LYS~D 26 26.59 -9.26 57.19 31.76 -9.92 53.51 29.17 -9.59 55.35 2 0 7.36 -999 ? C1 EDO D 129 >ALA.D 27 24.09 -11.19 59.39 22.71 -10.61 59.09 23.40 -10.90 59.24 2 0 11.22 -999 ? O1 EDO D 129 >ASP~D 28 26.52 -14.26 56.91 26.87 -16.10 55.86 26.70 -15.18 56.39 2 0 12.40 -999 ? O1 EDO D 129 >SER~D 29 26.66 -17.01 60.90 25.17 -18.91 61.03 25.92 -17.96 60.97 2 0 14.96 -999 ? O1 EDO D 129 >THR~D 30 28.76 -19.07 58.42 27.66 -19.37 56.54 28.21 -19.22 57.48 2 0 14.64 -999 ? C1 EDO D 129 >ILE~D 31 31.07 -14.78 58.03 31.39 -13.67 57.08 31.23 -14.23 57.55 3 0 8.40 -999 ? C1 EDO D 129 >MET?D 32 31.60 -16.25 62.28 28.45 -15.09 64.85 30.03 -15.67 63.57 2 0 11.06 -999 ? O1 EDO D 129 >ARG~D 33 29.80 -23.24 61.75 27.12 -23.88 63.13 28.46 -23.56 62.44 2 0 18.82 -999 ? C2 EDO D 129 >PRO.D 34 34.80 -20.19 60.22 34.44 -20.46 62.42 34.62 -20.33 61.32 3 0 13.34 -999 ? C2 EDO D 129 >ALA.D 35 35.87 -18.18 65.36 35.37 -16.73 65.43 35.62 -17.45 65.40 2 0 10.78 -999 ? C2 EDO D 129 >PHE^D 36 32.26 -18.75 68.31 31.48 -16.09 68.56 31.87 -17.42 68.43 3 0 13.31 -999 ? C2 EDO D 129 >SER^D 37 35.07 -23.66 69.59 35.40 -25.18 71.43 35.24 -24.42 70.51 2 0 20.57 -999 ? C1 EDO D 128 >SER^D 38 32.36 -26.29 69.26 33.56 -28.32 69.57 32.96 -27.30 69.42 2 0 23.10 -999 ? C2 EDO D 129 >GLN^D 39 33.23 -28.40 73.56 34.54 -29.57 74.72 33.89 -28.98 74.14 2 0 23.61 -999 ? O1 EDO D 128 >ALA^D 40 31.75 -22.34 73.23 32.14 -21.34 72.18 31.94 -21.84 72.70 2 0 18.54 -999 ? C2 EDO D 129 >THR^D 41 28.98 -20.70 75.23 29.30 -21.50 77.28 29.14 -21.10 76.25 2 0 18.78 -999 ? O2 EDO C 128 >ILE^D 42 26.56 -16.96 73.62 25.67 -16.35 72.79 26.11 -16.66 73.21 3 0 17.31 -999 ? O2 EDO C 128 >PHE^D 43 25.64 -17.75 79.43 25.30 -20.48 79.71 25.47 -19.11 79.57 3 0 14.28 -999 ? O2 EDO C 128 >GLY^D 44 23.82 -12.44 78.77 23.42 -13.16 79.07 23.62 -12.80 78.92 1 0 10.01 -999 ? O2 EDO C 128 >VAL.D 45 21.02 -11.37 81.11 22.07 -10.38 82.74 21.55 -10.88 81.92 3 0 6.10 -999 ? O2 EDO C 128 >ASP.D 46 16.49 -11.98 79.61 15.68 -12.76 81.39 16.08 -12.37 80.50 2 0 9.23 -999 ? O2 EDO C 128 >VAL.D 47 15.07 -7.95 80.58 13.05 -7.31 79.96 14.06 -7.63 80.27 3 0 9.81 -999 ? O2 EDO C 128 >ASP.D 48 13.23 -10.98 83.90 11.43 -10.71 82.79 12.33 -10.84 83.35 2 0 10.87 -999 ? O2 EDO C 128 >ASN.D 49 17.85 -9.03 86.21 17.69 -6.93 85.90 17.77 -7.98 86.06 2 0 -3.60 -999 ? C2 EDO C 128s >LYS.D 50 17.88 -13.61 84.42 12.27 -14.44 85.97 15.07 -14.03 85.19 2 0 10.93 -999 ? O2 EDO C 128 >LEU^D 51 21.52 -16.70 83.54 23.57 -17.24 83.05 22.55 -16.97 83.29 3 0 9.98 -999 ? O2 EDO C 128 >THR^D 52 20.07 -16.24 79.17 19.11 -14.93 77.76 19.59 -15.59 78.47 2 0 11.92 -999 ? O2 EDO C 128 >GLY^D 53 21.99 -18.27 76.63 21.67 -18.78 77.19 21.83 -18.52 76.91 1 0 14.85 -999 ? O2 EDO C 128 >GLY^D 54 23.89 -21.53 76.35 24.20 -20.95 75.82 24.05 -21.24 76.08 1 0 17.66 -999 ? O2 EDO C 128 >PRO^D 55 23.54 -24.55 73.23 25.08 -23.05 73.91 24.31 -23.80 73.57 3 0 21.20 -999 ? O2 EDO C 128 >ILE~D 56 28.55 -20.84 70.45 28.89 -20.18 70.18 28.72 -20.51 70.31 3 0 17.72 -999 ? C2 EDO D 129 >GLN~D 57 22.99 -23.96 66.96 23.73 -23.54 64.98 23.36 -23.75 65.97 2 0 20.26 -999 ? O1 EDO D 129 >GLY~D 58 22.05 -20.05 69.86 22.71 -19.88 69.44 22.38 -19.96 69.65 1 0 20.17 -999 ? O1 EDO D 129 >LEU~D 59 25.66 -16.91 68.99 26.75 -15.03 68.64 26.21 -15.97 68.82 3 0 14.74 -999 ? O1 EDO D 129 >PHE~D 60 26.26 -19.86 65.13 28.92 -20.25 65.92 27.59 -20.05 65.52 3 0 15.79 -999 ? C2 EDO D 129 >ASP~D 61 19.59 -19.50 66.30 19.77 -21.60 66.02 19.68 -20.55 66.16 2 0 21.15 -999 ? O1 EDO D 129 >VAL~D 62 19.90 -15.06 66.21 19.92 -13.88 68.08 19.91 -14.47 67.15 3 0 16.99 -999 ? O1 EDO D 129 >ILE~D 63 23.85 -14.37 63.42 24.54 -13.10 63.40 24.19 -13.73 63.41 3 0 12.04 -999 ? O1 EDO D 129 >ASP~D 64 20.80 -17.31 60.52 22.86 -17.75 60.19 21.83 -17.53 60.36 2 0 15.37 -999 ? O1 EDO D 129 >ASN~D 65 16.38 -16.60 62.82 16.91 -18.57 62.18 16.65 -17.59 62.50 2 0 20.39 -999 ? O1 EDO D 129 >VAL~D 66 16.77 -12.09 63.70 16.35 -11.84 65.85 16.56 -11.96 64.77 3 0 18.01 -999 ? O1 EDO D 129 >PHE.D 67 21.47 -9.71 64.14 22.21 -8.94 66.72 21.84 -9.32 65.43 3 0 12.72 -999 ? O1 EDO D 129 >HIS.D 68 18.52 -5.92 59.49 18.62 -4.14 60.59 18.57 -5.03 60.04 3 0 14.44 -999 ? O1 EDO D 129 >PRO.D 69 22.04 -8.31 55.33 22.11 -7.23 57.30 22.08 -7.77 56.31 3 0 11.64 -999 ? O1 EDO D 129 >SER.D 70 23.80 -3.64 58.87 22.80 -4.45 60.93 23.30 -4.04 59.90 2 0 10.35 -999 ? O1 EDO D 129 >PRO.D 71 23.81 -1.03 55.39 25.33 -1.81 56.92 24.57 -1.42 56.15 3 0 10.43 -999 ? O1 EDO D 129 >ALA.D 73 27.61 -1.25 61.97 27.45 -2.79 61.97 27.53 -2.02 61.97 2 0 6.73 -999 ? O1 EDO D 129 >LYS^D 74 30.88 -0.20 63.57 30.48 3.17 59.68 30.68 1.48 61.62 2 0 9.68 -999 ? O1 EDO D 129 >ALA^D 75 32.92 -2.44 65.86 33.05 -3.94 65.52 32.98 -3.19 65.69 2 0 5.84 -999 ? O1 EDO D 129 >ALA^D 76 35.90 -1.52 68.10 35.89 -0.19 68.88 35.90 -0.86 68.49 2 0 10.60 -999 ? C2 EDO D 129 >ILE^D 77 39.17 -5.15 68.76 39.45 -6.53 68.33 39.31 -5.84 68.54 3 0 8.50 -999 ? O2 EDO D 129 >ALA^D 78 38.67 -2.18 72.75 37.50 -2.07 73.78 38.08 -2.12 73.26 2 0 13.39 -999 ? O2 EDO C 129 >ARG^D 79 41.39 -5.47 78.26 39.17 -7.62 78.45 40.28 -6.54 78.35 2 0 14.17 -999 ? O2 EDO C 129 >ILE^D 80 43.50 -8.31 72.58 43.29 -9.23 71.39 43.40 -8.77 71.98 3 0 10.30 -999 ? C1 EDO D 128 >ASP^D 81 44.22 -9.33 78.39 44.07 -7.71 79.61 44.14 -8.52 79.00 2 0 10.50 -999 ? C1 EDO D 128 >ILE^D 82 47.89 -11.93 74.70 47.89 -12.18 73.25 47.89 -12.05 73.97 3 0 -4.48 -999 ? C1 EDO D 128s >VAL^D 83 49.02 -14.34 78.51 49.11 -13.86 80.65 49.06 -14.10 79.58 3 0 4.42 -999 ? O1 EDO D 128 >GLY.D 84 50.55 -17.45 76.96 49.88 -17.02 76.76 50.21 -17.24 76.86 1 0 -3.73 -999 ? O1 EDO D 128s >THR.D 85 47.77 -19.73 75.66 48.33 -21.66 76.59 48.05 -20.69 76.12 2 0 8.47 -999 ? O1 EDO D 128 >ALA^D 86 44.97 -17.58 77.14 44.78 -17.76 78.70 44.87 -17.67 77.92 2 0 8.63 -999 ? O1 EDO D 128 >ALA^D 87 43.49 -14.25 76.10 43.77 -14.01 74.58 43.63 -14.13 75.34 2 0 8.13 -999 ? C1 EDO D 128 >SER^D 88 40.62 -11.94 76.96 39.34 -10.83 78.70 39.98 -11.39 77.83 2 0 13.15 -999 ? C1 EDO D 128 >ALA^D 89 39.03 -9.48 74.49 39.06 -9.92 73.01 39.05 -9.70 73.75 2 0 13.04 -999 ? O2 EDO D 129 >ARG^D 90 35.64 -3.47 76.62 34.18 -0.92 77.61 34.91 -2.19 77.12 2 0 8.20 -999 ? O2 EDO C 129 >ILE^D 91 34.26 -6.72 70.42 34.55 -7.32 69.10 34.41 -7.02 69.76 3 0 8.98 -999 ? C2 EDO D 129 >ASP^D 92 32.40 -1.43 72.01 32.86 -1.58 74.06 32.63 -1.51 73.03 2 0 10.48 -999 ? O2 EDO C 129 >THR^D 93 29.63 -2.57 68.43 29.51 -4.31 67.18 29.57 -3.44 67.80 2 0 8.08 -999 ? O1 EDO D 129 >ASP^D 94 27.84 1.72 67.20 28.46 2.77 68.95 28.15 2.25 68.07 2 0 13.35 -999 ? O1 EDO D 129 >ASP^D 95 24.64 1.25 64.16 24.33 3.14 65.08 24.49 2.20 64.62 2 0 13.63 -999 ? O1 EDO D 129 >ILE^D 96 25.29 -4.61 65.06 25.89 -5.72 65.57 25.59 -5.17 65.32 3 0 9.08 -999 ? O1 EDO D 129 >SER.D 97 20.60 -4.75 63.55 20.82 -6.94 62.51 20.71 -5.84 63.03 2 0 12.40 -999 ? O1 EDO D 129 >GLY.D 98 19.38 -1.86 65.74 20.00 -2.24 65.95 19.69 -2.05 65.85 1 0 15.32 -999 ? O1 EDO D 129 >PHE^D 99 20.38 -4.99 69.19 18.00 -6.45 69.39 19.19 -5.72 69.29 3 0 16.56 -999 ? O1 EDO D 129 >ARG^D 100 26.03 1.85 72.41 27.85 3.43 74.38 26.94 2.64 73.40 2 0 9.58 -999 ? O2 EDO C 129 >PHE^D 101 25.49 -6.09 71.35 23.11 -7.23 70.52 24.30 -6.66 70.94 3 0 13.87 -999 ? O1 EDO D 129 >THR^D 102 29.68 -4.60 74.58 30.76 -3.27 75.93 30.22 -3.93 75.26 2 0 8.58 -999 ? O2 EDO C 129 >ASP^D 103 31.21 -8.80 72.90 29.45 -8.79 71.73 30.33 -8.79 72.32 2 0 12.41 -999 ? O1 EDO D 129 >PHE^D 104 33.63 -8.45 78.50 33.62 -5.84 79.54 33.62 -7.14 79.02 3 0 10.03 -999 ? O2 EDO C 129 >PHE^D 105 34.98 -12.35 72.61 32.97 -11.52 70.84 33.97 -11.93 71.72 3 0 12.04 -999 ? C2 EDO D 129 >ASN^D 106 37.25 -16.60 77.74 37.22 -15.66 79.65 37.23 -16.13 78.70 2 0 15.33 -999 ? C1 EDO D 128 >LEU^D 107 40.50 -16.34 72.86 39.73 -14.56 71.75 40.11 -15.45 72.31 3 0 12.31 -999 ? C1 EDO D 128 >LEU^D 108 42.01 -21.38 74.80 41.80 -21.65 76.97 41.91 -21.52 75.89 3 0 12.76 -999 ? C1 EDO D 128 >LYS^D 109 45.24 -20.97 71.70 50.85 -19.23 69.31 48.04 -20.10 70.51 2 0 7.36 -999 ? O2 EDO D 128 >VAL^D 110 44.29 -24.52 70.80 42.35 -25.34 71.40 43.32 -24.93 71.10 3 0 14.93 -999 ? C1 EDO D 128 >GLU.D 111 45.56 -28.79 68.79 44.11 -30.15 67.99 44.84 -29.47 68.39 2 0 19.63 -999 ? O2 EDO D 128 >GLY.D 112 48.31 -23.27 67.36 47.55 -23.26 67.51 47.93 -23.27 67.43 1 0 12.41 -999 ? O2 EDO D 128 >TRP^D 114 45.78 -16.82 68.70 45.94 -16.78 72.61 45.86 -16.80 70.65 3 0 8.30 -999 ? O2 EDO D 128 >THR^D 115 39.48 -19.97 69.47 38.75 -22.03 69.82 39.11 -21.00 69.64 2 0 16.64 -999 ? C1 EDO D 128 >VAL^D 116 36.59 -18.39 71.48 35.32 -16.69 71.14 35.96 -17.54 71.31 3 0 14.90 -999 ? C2 EDO D 129 >VAL^D 117 35.30 -20.59 74.31 37.11 -21.26 75.33 36.21 -20.93 74.82 3 0 17.32 -999 ? C1 EDO D 128 >SER^D 118 33.04 -17.97 75.92 32.41 -16.96 78.07 32.73 -17.46 77.00 2 0 17.23 -999 ? O2 EDO C 128 >LYS^D 119 31.27 -14.82 74.92 27.50 -11.66 70.81 29.39 -13.24 72.87 2 0 13.20 -999 ? O1 EDO D 129 >ILE^D 120 29.43 -12.69 78.71 30.14 -12.79 79.90 29.78 -12.74 79.31 3 0 12.80 -999 ? O2 EDO C 128 >TYR^D 121 25.49 -10.26 74.98 23.03 -11.58 75.23 24.26 -10.92 75.11 3 0 12.92 -999 ? O2 EDO C 128 >HIS^D 122 25.38 -4.27 79.09 23.92 -2.96 79.85 24.65 -3.62 79.47 3 0 6.74 -999 ? O2 EDO C 129 >THR^D 123 22.98 -4.78 75.45 21.45 -5.80 74.35 22.22 -5.29 74.90 2 0 12.99 -999 ? O2 EDO C 129 >HIS.D 124 25.48 -0.36 75.52 27.42 -0.60 76.28 26.45 -0.48 75.90 3 0 7.82 -999 ? O2 EDO C 129 >PRO.D 125 20.86 2.31 77.60 20.43 0.71 76.06 20.65 1.51 76.83 3 0 10.31 -999 ? O2 EDO C 129 >SER.D 126 18.07 2.65 72.98 16.45 0.87 72.74 17.26 1.76 72.86 2 0 16.10 -999 ? O2 EDO C 129 >THR.E 4 59.29 26.31 26.79 61.25 25.33 26.71 60.27 25.82 26.75 2 0 -5.74 -999 ? O2 EDO E 128s >THR~E 5 56.20 24.10 27.06 54.97 24.62 25.36 55.58 24.36 26.21 2 0 6.55 -999 ? O2 EDO E 128 >TYR~E 6 55.18 18.49 29.28 55.88 16.07 30.40 55.53 17.28 29.84 3 0 5.55 -999 ? C1 EDO E 128 >VAL~E 7 54.99 19.69 24.24 53.13 19.72 23.09 54.06 19.70 23.67 3 0 8.59 -999 ? O2 EDO E 128 >GLN~E 8 57.35 23.98 22.53 57.90 26.01 22.85 57.62 24.99 22.69 2 0 8.56 -999 ? O2 EDO E 128 >GLU~E 9 60.92 21.28 27.08 62.83 22.05 26.45 61.88 21.67 26.76 2 0 5.77 -999 ? C2 EDO E 128 >TYR~E 10 56.75 14.83 24.12 56.07 12.27 23.27 56.41 13.55 23.70 3 0 11.02 -999 ? C2 EDO E 128 >HIS~E 11 56.91 17.19 19.73 55.00 16.34 19.55 55.96 16.76 19.64 3 0 12.57 -999 ? C2 EDO E 128 >ALA~E 12 62.85 17.79 21.20 63.32 18.97 21.97 63.08 18.38 21.59 2 0 10.12 -999 ? C2 EDO E 128 >ILE~E 13 62.95 14.34 24.75 62.99 14.15 26.15 62.97 14.24 25.45 3 0 9.80 -999 ? C2 EDO E 128 >VAL~E 14 61.62 12.47 20.79 59.56 11.94 20.31 60.59 12.20 20.55 3 0 13.93 -999 ? C2 EDO E 128 >GLU~E 15 65.11 15.52 16.54 64.99 17.52 15.74 65.05 16.52 16.14 2 0 13.95 -999 ? C2 EDO J 128 >VAL~E 16 66.97 12.55 20.18 68.17 13.53 21.76 67.57 13.04 20.97 3 0 15.48 -999 ? C2 EDO E 128 >LEU~E 17 64.22 9.04 22.13 64.50 9.01 24.35 64.36 9.02 23.24 3 0 15.49 -999 ? C2 EDO E 128 >SER~E 18 64.32 8.65 17.50 63.46 9.16 15.28 63.89 8.91 16.39 2 0 12.40 -999 ? O2 EDO J 128 >LYS~E 19 68.01 8.50 16.57 70.26 14.22 17.07 69.14 11.36 16.82 2 0 13.70 -999 ? C2 EDO J 128 >TYR~E 20 68.24 4.51 21.36 68.29 2.00 22.63 68.26 3.26 21.99 3 0 9.94 -999 ? O2 EDO E 129 >ASN~E 21 64.02 4.19 17.77 63.17 4.27 19.74 63.59 4.23 18.75 2 0 15.04 -999 ? O2 EDO E 129 >GLU~E 22 67.10 5.67 11.95 67.53 7.56 11.09 67.32 6.62 11.52 2 0 7.88 -999 ? O2 EDO J 128 >GLY~E 23 70.25 3.43 14.82 69.57 3.01 14.98 69.91 3.22 14.90 1 0 13.30 -999 ? O2 EDO J 128 >GLY~E 24 69.15 0.21 16.51 68.92 0.49 15.78 69.03 0.35 16.15 1 0 11.19 -999 ? O2 EDO E 129 >LYS~E 25 66.70 -0.72 13.76 61.67 0.28 10.10 64.19 -0.22 11.93 2 0 13.68 -999 ? O2 EDO J 128 >LYS~E 26 69.27 -0.01 11.06 67.61 5.37 8.07 68.44 2.68 9.57 2 0 6.77 -999 ? O2 EDO J 128 >ALA.E 27 72.07 -1.64 13.11 72.22 -3.05 12.57 72.15 -2.35 12.84 2 0 13.17 -999 ? O2 EDO E 129 >ASP~E 28 73.71 2.29 11.37 75.12 3.69 10.62 74.42 2.99 10.99 2 0 12.00 -999 ? O2 EDO J 128 >SER~E 29 75.71 3.09 15.73 78.14 2.84 15.93 76.93 2.97 15.83 2 0 11.39 -999 ? C2 EDO E 129 >THR~E 30 76.67 6.30 13.85 77.53 5.87 11.87 77.10 6.08 12.86 2 0 13.16 -999 ? C1 EDO J 128 >ILE~E 31 71.83 6.38 12.96 70.83 6.16 11.95 71.33 6.27 12.46 3 0 10.19 -999 ? O2 EDO J 128 >MET?E 32 72.45 6.78 17.47 72.88 3.14 19.60 72.67 4.96 18.53 2 0 9.04 -999 ? O2 EDO E 129 >ARG~E 33 79.58 8.64 17.80 81.50 6.51 18.99 80.54 7.57 18.39 2 0 12.79 -999 ? C2 EDO E 129 >PRO.E 34 74.55 11.71 16.25 74.78 11.15 18.41 74.67 11.43 17.33 3 0 14.84 -999 ? C2 EDO J 128 >ALA.E 35 71.87 10.99 21.22 70.91 9.82 21.12 71.39 10.41 21.17 2 0 14.49 -999 ? O2 EDO E 129 >PHE^E 36 74.05 7.74 23.80 72.14 5.72 23.65 73.10 6.73 23.72 3 0 10.46 -999 ? O2 EDO E 129 >SER^E 37 76.79 12.23 26.02 77.57 13.19 28.08 77.18 12.71 27.05 2 0 13.89 -999 ? O2 EDO F 132 >SER^E 38 80.46 11.00 25.87 81.85 12.96 26.36 81.15 11.98 26.12 2 0 16.22 -999 ? O2 EDO F 132 >GLN^E 39 80.62 12.89 30.14 81.21 14.30 31.57 80.92 13.60 30.86 2 0 10.91 -999 ? O2 EDO F 132 >ALA^E 40 76.96 8.25 29.18 76.06 8.20 27.96 76.51 8.23 28.57 2 0 10.80 -999 ? O1 EDO E 129 >THR^E 41 76.80 4.77 30.69 77.05 5.02 32.85 76.93 4.90 31.77 2 0 9.23 -999 ? O1 EDO E 129 >ILE^E 42 74.98 1.15 28.21 74.96 0.16 27.27 74.97 0.65 27.74 3 0 -3.64 -999 ? O1 EDO E 129s >PHE^E 43 75.58 -0.09 34.03 78.12 0.91 34.65 76.85 0.41 34.34 3 0 7.35 -999 ? O1 EDO E 129 >GLY^E 44 72.00 -4.15 32.55 72.79 -4.22 32.87 72.40 -4.18 32.71 1 0 6.93 -999 ? O1 EDO E 129 >VAL^E 45 72.15 -7.48 34.37 71.15 -7.67 36.30 71.65 -7.57 35.34 3 0 6.25 -999 ? C1 EDO F 131 >ASP.E 46 75.21 -10.84 32.67 76.12 -11.53 34.46 75.67 -11.18 33.56 2 0 9.28 -999 ? O1 EDO F 131 >VAL.E 47 72.59 -14.26 32.92 73.42 -16.12 32.05 73.00 -15.19 32.49 3 0 9.86 -999 ? C1 EDO F 131 >ASP.E 48 75.82 -14.86 36.47 76.57 -16.28 35.06 76.20 -15.57 35.77 2 0 11.02 -999 ? O1 EDO F 131 >ASN.E 49 71.60 -12.06 38.81 70.14 -13.46 38.22 70.87 -12.76 38.51 2 0 -3.57 -999 ? C2 EDO F 131s >LEU^E 51 76.47 -4.80 37.56 75.98 -2.68 37.21 76.22 -3.74 37.39 3 0 9.83 -999 ? O1 EDO E 129 >THR^E 52 77.18 -5.66 33.06 76.69 -6.94 31.36 76.94 -6.30 32.21 2 0 5.73 -999 ? O1 EDO E 129 >GLY^E 53 78.15 -2.71 30.86 78.68 -2.81 31.48 78.41 -2.76 31.17 1 0 -3.57 -999 ? O1 EDO E 129s >GLY^E 54 79.77 0.66 31.46 79.29 0.62 30.75 79.53 0.64 31.10 1 0 5.91 -999 ? O1 EDO E 129 >PRO^E 55 82.64 1.22 28.29 80.81 2.29 29.02 81.72 1.76 28.65 3 0 6.77 -999 ? O1 EDO E 129 >ILE~E 56 77.55 5.09 25.74 76.78 5.06 25.39 77.17 5.07 25.56 3 0 7.95 -999 ? O1 EDO E 129 >GLN~E 57 83.05 2.24 22.11 82.58 3.03 20.21 82.81 2.64 21.16 2 0 10.36 -999 ? C2 EDO E 129 >GLY~E 58 80.04 -0.96 24.38 79.55 -0.39 24.03 79.79 -0.67 24.20 1 0 -4.62 -999 ? C2 EDO E 129s >LEU~E 59 75.56 0.75 23.58 73.48 0.92 23.00 74.52 0.84 23.29 3 0 -4.78 -999 ? C2 EDO E 129s >PHE~E 60 78.04 3.45 20.22 76.98 5.84 21.27 77.51 4.64 20.75 3 0 9.19 -999 ? C2 EDO E 129 >ASP~E 61 80.99 -2.62 20.47 82.74 -1.42 20.36 81.86 -2.02 20.41 2 0 8.52 -999 ? C2 EDO E 129 >VAL~E 62 76.89 -4.48 19.98 75.69 -5.30 21.64 76.29 -4.89 20.81 3 0 4.91 -999 ? C2 EDO E 129 >ILE~E 63 74.50 -0.97 17.56 73.13 -1.02 17.66 73.81 -1.00 17.61 3 0 8.32 -999 ? O2 EDO E 129 >ASP~E 64 78.86 -1.61 14.92 78.34 0.44 14.69 78.60 -0.59 14.81 2 0 11.51 -999 ? C2 EDO E 129 >ASN~E 65 80.38 -6.16 16.31 81.76 -4.55 16.04 81.07 -5.36 16.18 2 0 11.03 -999 ? C2 EDO E 129 >VAL~E 66 76.13 -8.17 16.75 76.07 -8.89 18.83 76.10 -8.53 17.79 3 0 9.32 -999 ? C2 EDO E 129 >PHE.E 67 71.71 -5.37 17.34 70.58 -5.46 19.94 71.15 -5.42 18.64 3 0 7.98 -999 ? O2 EDO E 129 >HIS.E 68 72.91 -8.80 11.21 74.67 -9.93 11.35 73.79 -9.36 11.28 3 0 15.44 -999 ? O2 EDO E 129 >PRO.E 69 70.84 -3.97 8.56 69.76 -4.85 10.33 70.30 -4.41 9.45 3 0 16.21 -999 ? O2 EDO J 128 >SER.E 70 65.69 -5.32 11.57 66.65 -6.13 13.64 66.17 -5.72 12.61 2 0 14.58 -999 ? O2 EDO E 129 >PRO.E 71 63.50 -6.38 8.01 63.40 -4.74 9.56 63.45 -5.56 8.78 3 0 17.55 -999 ? O2 EDO J 128 >ALA.E 73 61.58 -3.84 14.69 63.01 -3.31 14.86 62.29 -3.58 14.78 2 0 15.82 -999 ? O2 EDO E 129 >LYS^E 74 58.88 -1.82 16.42 54.89 -4.34 13.06 56.89 -3.08 14.74 2 0 14.94 -999 ? O2 EDO H 129 >ALA^E 75 59.63 0.71 19.17 60.87 1.59 19.00 60.25 1.15 19.08 2 0 15.16 -999 ? O2 EDO H 129 >ALA^E 76 57.28 2.52 21.53 56.17 1.70 22.18 56.72 2.11 21.85 2 0 10.61 -999 ? C2 EDO H 129 >ILE^E 77 58.79 6.99 22.91 59.82 8.00 22.66 59.31 7.49 22.78 3 0 15.63 -999 ? O4 PEG G 130 >ALA^E 78 56.15 4.56 26.44 56.44 3.35 27.32 56.29 3.95 26.88 2 0 8.89 -999 ? O4 PEG G 130 >ARG^E 79 57.22 7.67 32.54 60.15 6.69 32.88 58.68 7.18 32.71 2 0 10.74 -999 ? O4 PEG G 130 >ILE^E 80 59.09 11.70 27.55 60.01 12.14 26.47 59.55 11.92 27.01 3 0 10.29 -999 ? C2 EDO E 128 >ASP^E 81 59.08 12.11 33.56 57.80 10.72 34.40 58.44 11.41 33.98 2 0 10.45 -999 ? C1 EDO E 128 >ILE^E 82 59.89 16.94 30.58 60.09 17.31 29.21 59.99 17.12 29.90 3 0 -4.52 -999 ? C2 EDO E 128s >VAL^E 83 61.07 18.49 34.78 60.48 18.02 36.79 60.78 18.25 35.79 3 0 4.43 -999 ? O1 EDO E 128 >GLY.E 84 63.15 21.53 33.82 63.14 20.78 33.47 63.14 21.15 33.65 1 0 -3.60 -999 ? O1 EDO E 128s >THR.E 85 66.60 20.40 32.56 67.90 21.68 33.73 67.25 21.04 33.14 2 0 8.32 -999 ? O1 EDO E 128 >ALA^E 86 66.03 16.72 33.51 66.22 16.36 35.04 66.13 16.54 34.28 2 0 8.70 -999 ? O1 EDO E 128 >ALA^E 87 63.97 13.99 31.89 63.65 14.35 30.39 63.81 14.17 31.14 2 0 8.22 -999 ? C1 EDO E 128 >SER^E 88 63.42 10.26 32.08 61.81 9.73 33.83 62.62 9.99 32.95 2 0 11.60 -999 ? C1 EDO E 128 >ALA^E 89 62.13 8.07 29.24 62.65 8.53 27.86 62.39 8.30 28.55 2 0 13.60 -999 ? C1 EDO E 128 >ARG^E 90 58.42 1.98 30.14 56.91 -0.62 30.67 57.67 0.68 30.41 2 0 4.79 -999 ? O4 PEG G 130 >ILE^E 91 62.38 3.26 24.42 62.87 3.94 23.21 62.63 3.60 23.82 3 0 14.09 -999 ? O2 EDO E 129 >ASP^E 92 58.65 -1.20 25.06 58.49 -1.03 27.15 58.57 -1.11 26.11 2 0 8.41 -999 ? O4 PEG G 130 >THR^E 93 61.30 -2.44 21.43 62.98 -1.46 20.43 62.14 -1.95 20.93 2 0 12.93 -999 ? O2 EDO E 129 >ASP^E 94 58.58 -6.03 19.50 57.19 -6.08 21.11 57.89 -6.05 20.31 2 0 8.69 -999 ? O2 EDO H 129 >ASP^E 95 60.75 -7.90 16.15 59.17 -9.09 16.76 59.96 -8.50 16.45 2 0 13.53 -999 ? O2 EDO H 129 >ILE^E 96 65.37 -4.73 17.93 66.09 -3.80 18.73 65.73 -4.26 18.33 3 0 11.51 -999 ? O2 EDO E 129 >SER.E 97 67.87 -8.54 16.14 69.63 -7.05 15.46 68.75 -7.79 15.80 2 0 11.82 -999 ? O2 EDO E 129 >GLY.E 98 65.71 -11.27 17.71 65.87 -10.58 18.08 65.79 -10.93 17.89 1 0 14.24 -999 ? O2 EDO E 129 >PHE^E 99 67.88 -9.25 21.57 70.32 -10.60 21.66 69.10 -9.92 21.62 3 0 9.40 -999 ? O2 EDO E 129 >ARG^E 100 59.24 -7.68 24.57 58.88 -4.64 25.30 59.06 -6.16 24.93 2 0 8.20 -999 ? O2 EDO H 129 >PHE^E 101 66.24 -4.78 24.39 68.39 -6.23 23.36 67.32 -5.50 23.87 3 0 7.84 -999 ? O2 EDO E 129 >THR^E 102 62.63 -2.38 27.83 60.82 -2.25 29.05 61.72 -2.32 28.44 2 0 8.67 -999 ? O2 EDO F 128 >ASP^E 103 65.51 1.24 26.87 66.63 0.00 25.64 66.07 0.62 26.26 2 0 8.78 -999 ? O2 EDO E 129 >PHE^E 104 63.70 2.33 32.53 61.47 0.78 33.15 62.58 1.55 32.84 3 0 9.57 -999 ? O4 PEG G 130 >PHE^E 105 66.82 6.29 27.40 67.18 4.55 25.25 67.00 5.42 26.32 3 0 11.78 -999 ? O2 EDO E 129 >ASN^E 106 68.97 9.49 33.20 67.97 8.80 34.96 68.47 9.14 34.08 2 0 13.66 -999 ? O1 EDO F 132 >LEU^E 107 67.47 12.89 28.67 66.52 11.57 27.31 67.00 12.23 27.99 3 0 12.45 -999 ? C2 EDO E 128 >LEU^E 108 70.93 16.45 31.45 71.12 16.07 33.60 71.02 16.26 32.53 3 0 11.11 -999 ? O2 EDO F 132 >LYS^E 109 69.18 19.49 28.64 65.14 23.81 26.31 67.16 21.65 27.47 2 0 7.88 -999 ? C2 EDO E 128 >VAL^E 110 72.82 20.46 28.07 74.51 19.14 28.57 73.66 19.80 28.32 3 0 14.25 -999 ? O2 EDO F 132 >GLU.E 111 76.05 23.78 26.83 77.93 24.22 26.04 76.99 24.00 26.44 2 0 17.48 -999 ? O2 EDO F 132 >GLY.E 112 70.04 23.78 24.87 70.40 23.12 24.94 70.22 23.45 24.90 1 0 12.65 -999 ? C2 EDO E 128 >TRP^E 114 65.57 18.34 25.12 65.17 17.87 29.05 65.37 18.10 27.08 3 0 8.02 -999 ? C2 EDO E 128 >THR^E 115 71.37 14.28 25.73 73.48 14.66 26.37 72.43 14.47 26.05 2 0 15.83 -999 ? O2 EDO F 132 >VAL^E 116 71.27 10.78 27.21 70.39 8.94 26.54 70.83 9.86 26.87 3 0 13.74 -999 ? O1 EDO E 129 >VAL^E 117 73.60 10.30 30.25 73.31 12.11 31.48 73.46 11.21 30.87 3 0 12.53 -999 ? O2 EDO F 132 >SER^E 118 72.42 6.85 31.30 71.70 5.49 33.21 72.06 6.17 32.25 2 0 10.97 -999 ? O1 EDO E 129 >LYS^E 119 70.62 3.95 29.67 69.90 -0.17 25.04 70.26 1.89 27.35 2 0 5.84 -999 ? O2 EDO E 129 >ILE^E 120 69.32 0.69 32.96 69.01 1.16 34.29 69.16 0.92 33.63 3 0 10.19 -999 ? O1 EDO E 129 >TYR^E 121 69.61 -3.27 28.62 71.99 -4.74 28.86 70.80 -4.01 28.74 3 0 5.10 -999 ? O2 EDO E 129 >HIS^E 122 64.16 -6.83 31.82 63.62 -8.81 32.28 63.89 -7.82 32.05 3 0 6.82 -999 ? O2 EDO F 128 >THR^E 123 66.04 -8.18 28.16 67.76 -8.80 27.03 66.90 -8.49 27.60 2 0 8.89 -999 ? O2 EDO E 129 >HIS.E 124 61.00 -8.21 27.85 60.21 -6.49 28.77 60.61 -7.35 28.31 3 0 8.02 -999 ? O2 EDO F 128 >PRO.E 125 60.84 -13.87 28.85 62.51 -13.17 27.51 61.68 -13.52 28.18 3 0 10.79 -999 ? O2 EDO F 128 >SER.E 126 62.45 -14.47 23.39 64.38 -13.25 22.46 63.42 -13.86 22.92 2 0 14.55 -999 ? O2 EDO E 129 >ASN.F 3 57.79 -15.68 39.71 56.48 -14.59 38.44 57.14 -15.13 39.07 2 0 7.04 -999 ? O1 EDO F 128 >THR.F 4 57.80 -11.55 42.09 59.82 -10.77 42.08 58.81 -11.16 42.09 2 0 -5.13 -999 ? O1 EDO F 128s >THR~F 5 54.88 -9.13 41.99 53.62 -9.58 43.72 54.25 -9.35 42.86 2 0 -6.11 -999 ? O1 EDO F 128s >TYR~F 6 54.39 -2.99 40.61 55.16 -0.30 40.88 54.77 -1.65 40.74 3 0 5.44 -999 ? O1 PEG G 130s >VAL~F 7 54.13 -4.65 44.92 52.31 -4.57 46.12 53.22 -4.61 45.52 3 0 7.45 -999 ? O1 PEG G 130 >GLN~F 8 56.08 -9.17 46.62 56.38 -11.24 46.15 56.23 -10.20 46.39 2 0 7.97 -999 ? O1 EDO F 128 >GLU~F 9 59.94 -6.76 41.95 61.70 -7.73 42.61 60.82 -7.25 42.28 2 0 5.79 -999 ? O1 EDO F 128 >TYR~F 10 56.38 0.07 45.07 55.87 2.62 45.96 56.13 1.34 45.51 3 0 10.77 -999 ? O1 PEG G 130 >HIS~F 11 56.42 -2.43 49.36 54.58 -1.42 49.50 55.50 -1.93 49.43 3 0 11.89 -999 ? O1 EDO F 128 >ALA~F 12 62.28 -3.50 47.86 62.68 -4.69 46.98 62.48 -4.10 47.42 2 0 10.08 -999 ? O1 EDO F 128 >ILE~F 13 62.56 -0.15 44.30 62.71 0.02 42.84 62.63 -0.06 43.57 3 0 9.91 -999 ? C1 EDO F 128 >VAL~F 14 61.51 1.98 48.24 59.53 2.70 48.74 60.52 2.34 48.49 3 0 7.68 -999 ? O2 EDO F 130 >GLU~F 15 65.06 -1.35 52.26 64.65 -2.86 53.68 64.86 -2.10 52.97 2 0 10.45 -999 ? O2 EDO F 130 >VAL~F 16 66.78 1.37 48.81 67.83 0.35 47.14 67.30 0.86 47.97 3 0 10.07 -999 ? O2 EDO F 130 >LEU~F 17 64.34 5.12 46.90 64.54 5.07 44.67 64.44 5.10 45.78 3 0 8.71 -999 ? O2 EDO F 130 >SER~F 18 64.55 5.48 51.55 63.80 4.91 53.83 64.17 5.19 52.69 2 0 -2.80 -999 ? O2 EDO F 130s >LYS~F 19 68.32 5.32 52.38 69.41 0.06 54.25 68.87 2.69 53.32 2 0 10.01 -999 ? C2 EDO F 130 >TYR~F 20 68.71 9.27 47.62 68.82 11.76 46.34 68.76 10.51 46.98 3 0 9.36 -999 ? C2 EDO F 130 >ASN~F 21 64.71 9.87 51.24 63.76 9.93 49.29 64.24 9.90 50.26 2 0 -5.41 -999 ? C2 EDO F 130s >GLU~F 22 67.72 8.27 57.03 68.08 6.38 57.88 67.90 7.32 57.45 2 0 -5.99 -999 ? C2 EDO F 130s >GLY~F 23 71.02 10.17 54.00 70.35 10.63 53.86 70.68 10.40 53.93 1 0 6.93 -999 ? O1 EDO F 130 >GLY~F 24 70.13 13.47 52.31 69.87 13.21 53.06 70.00 13.34 52.69 1 0 7.31 -999 ? O1 EDO F 130 >LYS~F 25 67.89 14.61 55.16 63.77 15.18 58.75 65.83 14.89 56.96 2 0 5.98 -999 ? O1 EDO F 130 >LYS~F 26 70.53 13.73 57.75 68.39 8.62 60.86 69.46 11.17 59.30 2 0 7.22 -999 ? O1 EDO F 130 >ALA~F 27 73.42 15.14 55.62 73.69 16.54 56.07 73.55 15.84 55.84 2 0 11.36 -999 ? O1 EDO F 130 >ASP~F 28 74.69 11.05 57.36 76.09 9.62 58.15 75.39 10.34 57.75 2 0 12.26 -999 ? O1 EDO F 130 >SER~F 29 76.56 10.08 52.99 79.01 10.05 52.75 77.79 10.07 52.87 2 0 11.39 -999 ? C1 EDO F 132 >THR~F 30 77.20 6.81 54.86 78.30 7.15 56.70 77.75 6.98 55.78 2 0 14.53 -999 ? O1 EDO F 130 >ILE~F 31 72.45 7.27 55.89 71.48 7.54 56.96 71.97 7.40 56.42 3 0 8.39 -999 ? O1 EDO F 130 >MET?F 32 72.84 6.64 51.45 73.54 10.21 49.22 73.19 8.43 50.34 2 0 8.74 -999 ? C1 EDO F 132 >ARG~F 33 79.66 4.52 51.28 81.61 6.05 49.48 80.64 5.28 50.38 2 0 13.04 -999 ? C1 EDO F 132 >PRO.F 34 74.32 1.51 52.62 74.56 2.00 50.45 74.44 1.76 51.54 3 0 12.96 -999 ? C2 EDO F 130 >ALA.F 35 71.70 2.49 47.68 70.86 3.80 47.87 71.28 3.14 47.78 2 0 10.74 -999 ? C2 EDO F 130 >PHE^F 36 74.14 5.56 45.17 72.40 7.70 45.29 73.27 6.63 45.23 3 0 10.39 -999 ? C1 EDO F 132 >SER^F 37 76.52 0.87 42.79 77.25 -0.14 40.66 76.89 0.36 41.73 2 0 12.81 -999 ? O1 EDO F 131 >SER^F 38 80.28 1.42 42.92 81.34 -0.57 42.07 80.81 0.42 42.50 2 0 15.32 -999 ? O1 EDO E 129 >GLN^F 39 80.31 -0.12 38.35 82.38 0.31 38.20 81.34 0.09 38.28 2 0 12.37 -999 ? O1 EDO E 129 >ALA^F 40 76.98 4.83 39.78 76.19 4.93 41.10 76.58 4.88 40.44 2 0 11.45 -999 ? O2 EDO F 132 >THR^F 41 77.08 8.33 38.34 77.32 7.94 36.23 77.20 8.13 37.29 2 0 9.94 -999 ? O2 EDO F 132 >ILE^F 42 75.62 12.21 40.60 75.74 13.31 41.50 75.68 12.76 41.05 3 0 -3.98 -999 ? O2 EDO F 132s >PHE^F 43 76.12 13.27 34.79 78.53 12.05 34.09 77.33 12.66 34.44 3 0 8.04 -999 ? O2 EDO F 132 >GLY^F 44 72.95 17.66 36.45 73.71 17.64 36.01 73.33 17.65 36.23 1 0 6.97 -999 ? O2 EDO F 132 >VAL^F 45 73.26 20.91 34.57 72.26 21.31 32.64 72.76 21.11 33.61 3 0 10.44 -999 ? O2 EDO F 132 >ASP.F 46 76.63 23.94 36.22 77.70 24.56 34.45 77.16 24.25 35.33 2 0 10.94 -999 ? O2 EDO F 132 >VAL.F 47 74.29 27.60 35.96 75.14 29.42 36.89 74.72 28.51 36.43 3 0 13.36 -999 ? O1 EDO F 132 >ASP.F 48 77.49 27.93 32.38 78.31 29.47 33.59 77.90 28.70 32.98 2 0 15.45 -999 ? O2 EDO F 132 >ASN.F 49 73.04 25.58 29.96 71.48 26.87 30.57 72.26 26.23 30.26 2 0 13.24 -999 ? O1 EDO E 128 >LYS.F 50 76.82 22.70 31.12 81.32 26.92 29.57 79.07 24.81 30.34 2 0 16.53 -999 ? O2 EDO F 132 >LEU^F 51 77.23 17.89 31.28 76.48 15.86 31.47 76.85 16.88 31.37 3 0 10.27 -999 ? O2 EDO F 132 >THR^F 52 78.21 18.62 35.70 77.86 19.90 37.46 78.03 19.26 36.58 2 0 5.52 -999 ? O2 EDO F 132 >GLY^F 53 78.87 15.44 37.68 79.46 15.58 37.11 79.17 15.51 37.40 1 0 4.28 -999 ? O2 EDO F 132 >GLY^F 54 80.66 12.12 37.40 80.01 12.09 37.94 80.33 12.10 37.67 1 0 6.76 -999 ? O2 EDO F 132 >PRO^F 55 83.50 9.30 39.14 81.30 9.76 39.37 82.40 9.53 39.25 3 0 8.72 -999 ? O2 EDO F 132 >ILE~F 56 77.80 7.93 42.98 77.06 8.01 43.28 77.43 7.97 43.13 3 0 8.46 -999 ? O2 EDO F 132 >GLN~F 57 83.83 9.99 46.24 83.26 9.12 48.08 83.54 9.56 47.16 2 0 11.01 -999 ? C2 EDO F 132 >GLY~F 58 80.98 13.48 44.12 80.45 12.97 44.51 80.71 13.22 44.31 1 0 5.07 -999 ? C2 EDO F 132 >LEU~F 59 76.30 12.41 45.10 74.18 12.61 45.77 75.24 12.51 45.44 3 0 4.42 -999 ? C1 EDO F 132 >PHE~F 60 78.61 9.34 48.42 77.21 7.13 47.38 77.91 8.23 47.90 3 0 9.37 -999 ? C1 EDO F 132 >ASP~F 61 82.31 15.03 48.20 83.76 13.44 48.26 83.04 14.23 48.23 2 0 8.97 -999 ? C2 EDO F 132 >VAL~F 62 78.42 17.45 48.62 77.37 18.32 46.88 77.89 17.89 47.75 3 0 -4.54 -999 ? C1 EDO F 132s >ILE~F 63 75.68 14.19 51.05 74.21 14.26 51.11 74.95 14.23 51.08 3 0 7.77 -999 ? C1 EDO F 132 >ASP~F 64 80.08 14.46 53.69 79.33 12.49 53.85 79.71 13.48 53.77 2 0 11.27 -999 ? C1 EDO F 132 >ASN~F 65 82.00 18.79 52.19 83.32 17.17 52.65 82.66 17.98 52.42 2 0 11.37 -999 ? C2 EDO F 132 >VAL~F 66 77.98 21.17 51.80 77.93 21.84 49.71 77.95 21.50 50.75 3 0 8.78 -999 ? C1 EDO F 132 >PHE.F 67 73.27 18.69 51.37 71.95 18.83 48.91 72.61 18.76 50.14 3 0 7.49 -999 ? O1 EDO F 132 >HIS.F 68 72.29 22.52 56.67 70.84 23.74 55.78 71.57 23.13 56.23 3 0 14.73 -999 ? O1 EDO F 132 >PRO.F 69 72.37 17.65 60.21 71.34 18.51 58.44 71.86 18.08 59.33 3 0 11.62 -999 ? O1 EDO F 130 >SER.F 70 67.32 19.29 57.33 68.52 20.02 55.37 67.92 19.65 56.35 2 0 10.59 -999 ? O1 EDO F 130 >PRO.F 71 65.30 19.89 61.10 65.12 18.46 59.35 65.21 19.17 60.22 3 0 10.18 -999 ? O1 EDO F 130 >GLU.F 72 61.18 21.95 59.06 59.58 20.89 60.05 60.38 21.42 59.55 2 0 12.47 -999 ? O1 EDO F 130 >ALA.F 73 62.98 18.12 54.33 64.35 17.48 54.02 63.67 17.80 54.18 2 0 7.23 -999 ? O1 EDO F 130 >LYS^F 74 60.05 16.37 52.62 58.38 18.29 56.97 59.22 17.33 54.79 2 0 9.99 -999 ? O1 EDO F 130 >ALA^F 75 60.46 13.75 49.86 61.64 12.75 49.99 61.05 13.25 49.93 2 0 5.94 -999 ? C1 EDO F 130 >ALA^F 76 57.88 12.20 47.57 56.86 13.16 46.93 57.37 12.68 47.25 2 0 7.39 -999 ? C2 EDO F 129 >ILE^F 77 59.09 7.64 46.05 60.05 6.57 46.33 59.57 7.11 46.19 3 0 8.30 -999 ? O2 EDO F 130 >ALA^F 78 56.51 10.24 42.60 56.87 11.45 41.71 56.69 10.85 42.16 2 0 7.81 -999 ? O2 EDO F 129 >ARG^F 79 57.08 7.19 36.52 60.18 7.60 36.18 58.63 7.39 36.35 2 0 11.64 -999 ? O4 PEG G 130 >ILE^F 80 58.88 2.92 41.52 59.81 2.43 42.59 59.34 2.67 42.06 3 0 10.17 -999 ? C1 EDO F 128 >ASP^F 81 58.87 2.67 35.51 57.52 3.89 34.60 58.19 3.28 35.06 2 0 6.89 -999 ? O4 PEG G 130 >ILE^F 82 59.19 -2.35 38.53 59.36 -2.73 39.92 59.27 -2.54 39.22 3 0 4.53 -999 ? C1 EDO F 128 >VAL^F 83 60.23 -4.06 34.29 59.56 -3.60 32.27 59.90 -3.83 33.28 3 0 4.33 -999 ? O2 EDO F 128 >GLY.F 84 62.03 -7.28 35.26 62.10 -6.53 35.59 62.07 -6.91 35.42 1 0 -3.71 -999 ? O2 EDO F 128s >THR.F 85 65.57 -6.44 36.40 66.76 -7.80 35.19 66.17 -7.12 35.79 2 0 5.36 -999 ? C1 EDO F 131 >ALA^F 86 65.29 -2.73 35.54 65.46 -2.42 34.01 65.38 -2.57 34.77 2 0 8.55 -999 ? O2 EDO F 128 >ALA^F 87 63.52 0.22 37.18 63.19 -0.08 38.67 63.35 0.07 37.92 2 0 8.25 -999 ? C2 EDO F 128 >SER^F 88 63.26 3.96 36.99 61.73 4.63 35.24 62.49 4.30 36.12 2 0 10.37 -999 ? O4 PEG G 130 >ALA^F 89 62.16 6.22 39.83 62.70 5.74 41.20 62.43 5.98 40.51 2 0 12.87 -999 ? O2 EDO F 130 >ARG^F 90 58.94 12.67 38.96 57.62 15.40 38.47 58.28 14.03 38.71 2 0 4.85 -999 ? O2 EDO F 129 >ILE^F 91 62.90 11.05 44.64 63.38 10.31 45.83 63.14 10.68 45.24 3 0 8.98 -999 ? C1 EDO F 129 >ASP^F 92 59.58 15.75 44.02 59.25 15.56 41.92 59.41 15.65 42.97 2 0 -3.56 -999 ? C2 EDO F 129s >THR^F 93 62.35 16.80 47.53 63.98 15.78 48.52 63.17 16.29 48.03 2 0 -6.22 -999 ? O1 EDO F 129s >ASP^F 94 60.03 20.51 49.59 58.62 20.77 48.01 59.33 20.64 48.80 2 0 -4.30 -999 ? O1 EDO F 129s >ASP^F 95 62.49 22.28 52.84 61.03 23.65 52.23 61.76 22.96 52.54 2 0 8.82 -999 ? O1 EDO F 129 >ILE^F 96 66.81 18.67 50.92 67.46 17.68 50.18 67.14 18.18 50.55 3 0 8.84 -999 ? O1 EDO F 129 >SER.F 97 69.62 22.25 52.77 71.32 20.65 53.39 70.47 21.45 53.08 2 0 11.37 -999 ? O1 EDO F 132 >GLY.F 98 67.72 25.20 51.21 67.75 24.49 50.85 67.74 24.84 51.03 1 0 11.29 -999 ? O1 EDO F 129 >PHE^F 99 69.53 23.05 47.29 72.06 24.21 47.15 70.80 23.63 47.22 3 0 8.77 -999 ? O1 EDO F 132 >ARG^F 100 60.49 22.83 44.44 57.79 22.77 42.87 59.14 22.80 43.66 2 0 -3.98 -999 ? C2 EDO F 129s >PHE^F 101 67.46 18.71 44.53 69.77 19.97 45.47 68.62 19.34 45.00 3 0 -7.03 -999 ? O1 EDO F 132s >THR^F 102 63.48 16.60 41.18 61.68 16.70 39.94 62.58 16.65 40.56 2 0 -4.16 -999 ? O2 EDO F 129s >ASP^F 103 66.22 12.79 42.07 67.18 14.04 43.45 66.70 13.41 42.76 2 0 8.35 -999 ? C1 EDO F 129 >PHE^F 104 64.11 11.86 36.48 61.92 13.52 35.90 63.01 12.69 36.19 3 0 9.38 -999 ? O2 EDO F 129 >PHE^F 105 67.06 7.70 41.58 67.61 9.41 43.70 67.33 8.55 42.64 3 0 11.47 -999 ? O1 EDO F 132 >ASN^F 106 68.80 4.26 35.75 67.83 5.08 33.99 68.31 4.67 34.87 2 0 13.29 -999 ? O1 EDO E 129 >LEU^F 107 67.16 0.91 40.28 66.22 2.27 41.69 66.69 1.59 40.98 3 0 12.02 -999 ? O1 EDO F 131 >LEU^F 108 70.25 -2.80 37.50 70.45 -2.46 35.34 70.35 -2.63 36.42 3 0 8.63 -999 ? O1 EDO F 131 >LYS^F 109 68.31 -5.73 40.30 63.94 -9.70 42.44 66.13 -7.72 41.37 2 0 -3.96 -999 ? O2 EDO F 131s >VAL^F 110 71.88 -7.00 40.76 73.65 -5.83 40.21 72.76 -6.41 40.48 3 0 5.13 -999 ? O1 EDO F 131 >GLU.F 111 74.85 -10.25 42.08 76.73 -10.88 42.72 75.79 -10.56 42.40 2 0 -7.84 -999 ? O1 EDO F 131s >GLY.F 112 68.86 -10.20 43.88 69.29 -9.53 43.85 69.07 -9.87 43.86 1 0 -3.37 -999 ? O1 EDO F 131s >TRP^F 114 64.85 -4.24 43.84 64.46 -3.79 39.92 64.66 -4.02 41.88 3 0 7.66 -999 ? C1 EDO F 131 >THR^F 115 70.92 -0.73 43.19 73.00 -1.24 42.57 71.96 -0.99 42.88 2 0 9.87 -999 ? O1 EDO F 131 >VAL^F 116 71.07 2.73 41.72 70.36 4.70 42.43 70.71 3.71 42.08 3 0 14.01 -999 ? C1 EDO F 132 >VAL^F 117 73.42 3.10 38.70 73.03 1.36 37.42 73.23 2.23 38.06 3 0 11.98 -999 ? O1 EDO E 129 >SER^F 118 72.48 6.68 37.69 71.81 8.08 35.81 72.15 7.38 36.75 2 0 11.52 -999 ? O2 EDO F 132 >LYS^F 119 70.97 9.73 39.33 70.68 14.01 44.03 70.82 11.87 41.68 2 0 5.36 -999 ? O1 EDO F 132 >ILE^F 120 69.88 13.02 35.98 69.49 12.63 34.69 69.68 12.82 35.34 3 0 10.45 -999 ? O1 EDO F 132 >TYR^F 121 70.46 16.97 40.33 72.92 18.23 40.06 71.69 17.60 40.19 3 0 4.57 -999 ? O1 EDO F 132 >HIS^F 122 65.34 20.93 37.21 64.95 22.95 36.75 65.15 21.94 36.98 3 0 6.68 -999 ? O1 EDO E 128 >THR^F 123 67.43 22.13 40.83 69.24 22.64 41.84 68.33 22.38 41.34 2 0 8.18 -999 ? O1 EDO F 132 >HIS.F 124 62.40 22.62 41.23 61.37 21.00 40.39 61.88 21.81 40.81 3 0 -3.94 -999 ? C1 EDO F 129s >PRO.F 125 62.98 28.14 39.71 64.34 27.37 41.31 63.66 27.76 40.51 3 0 9.69 -999 ? C1 EDO F 129 >THR.G 4 51.84 24.67 46.01 49.84 23.93 45.94 50.84 24.30 45.97 2 0 -4.33 -999 ? C1 EDO G 129s >THR~G 5 54.76 22.29 45.25 56.03 22.33 47.02 55.39 22.31 46.13 2 0 6.09 -999 ? C2 EDO F 129 >TYR~G 6 55.36 16.75 42.38 54.65 14.08 42.09 55.01 15.42 42.24 3 0 -5.19 -999 ? O2 EDO F 129s >VAL~G 7 55.55 17.32 47.08 57.42 16.91 48.21 56.49 17.11 47.64 3 0 5.69 -999 ? C2 EDO F 129 >GLN~G 8 53.38 21.40 49.82 53.42 23.54 49.70 53.40 22.47 49.76 2 0 5.83 -999 ? C1 EDO G 129 >GLU~G 9 49.81 19.93 44.77 47.91 20.69 45.40 48.86 20.31 45.08 2 0 -3.26 -999 ? O2 EDO G 129s >TYR~G 10 53.40 12.65 46.32 53.89 9.97 46.67 53.65 11.31 46.49 3 0 10.02 -999 ? C2 EDO F 129 >HIS~G 11 51.50 15.19 52.46 51.15 14.98 54.52 51.33 15.09 53.49 3 0 7.94 -999 ? C2 EDO G 129 >ALA~G 12 47.53 15.50 49.76 47.13 16.83 49.14 47.33 16.17 49.45 2 0 -3.60 -999 ? O2 EDO G 129s >ILE~G 13 47.19 12.87 45.65 47.02 12.97 44.24 47.11 12.92 44.95 3 0 8.23 -999 ? O2 EDO G 129 >VAL~G 14 48.34 10.06 49.08 50.38 9.23 49.40 49.36 9.65 49.24 3 0 11.02 -999 ? O2 EDO G 129 >GLU~G 15 45.37 12.47 54.04 46.50 13.67 55.40 45.94 13.07 54.72 2 0 9.43 -999 ? C2 EDO G 129 >VAL~G 16 43.08 10.53 49.85 42.01 11.89 48.45 42.55 11.21 49.15 3 0 10.14 -999 ? O2 EDO G 129 >LEU~G 17 45.50 7.25 47.19 45.24 7.74 45.05 45.37 7.49 46.12 3 0 13.16 -999 ? O2 EDO G 129 >SER~G 18 45.32 5.88 51.63 47.57 6.76 52.11 46.45 6.32 51.87 2 0 14.09 -999 ? O2 EDO G 129 >LYS~G 19 41.57 5.95 52.56 39.76 11.92 53.35 40.67 8.93 52.96 2 0 12.07 -999 ? O2 EDO G 129 >TYR~G 20 41.09 3.16 47.03 40.85 1.00 45.30 40.97 2.08 46.17 3 0 14.84 -999 ? O1 PEG G 130 >ASN~G 21 45.10 1.64 50.39 46.07 2.03 48.53 45.58 1.83 49.46 2 0 13.50 -999 ? O1 PEG G 130 >GLU~G 22 42.03 1.97 56.39 41.89 3.67 57.69 41.96 2.82 57.04 2 0 12.19 -999 ? O2 EDO D 129 >GLY~G 23 38.70 0.76 52.98 39.40 0.33 52.72 39.05 0.54 52.85 1 0 10.90 -999 ? C1 EDO D 129 >GLY~G 24 39.81 -2.04 50.66 39.94 -1.96 51.45 39.87 -2.00 51.05 1 0 11.52 -999 ? C1 EDO D 129 >LYS~G 25 41.85 -3.90 53.23 47.75 -4.38 55.52 44.80 -4.14 54.38 2 0 12.57 -999 ? O2 EDO D 129 >LYS~G 26 39.19 -3.52 55.92 42.58 -1.15 59.26 40.89 -2.34 57.59 2 0 8.44 -999 ? O2 EDO D 129 >ALA~G 27 36.37 -4.29 53.41 36.07 -5.79 53.53 36.22 -5.04 53.47 2 0 6.42 -999 ? C1 EDO D 129 >ASP~G 28 35.09 -0.74 56.03 33.77 0.58 57.08 34.43 -0.08 56.55 2 0 7.45 -999 ? O1 EDO D 129 >SER~G 29 33.27 1.18 51.99 30.81 1.39 51.71 32.04 1.29 51.85 2 0 11.51 -999 ? O1 EDO D 129 >THR~G 30 32.64 3.95 54.55 31.67 3.22 56.33 32.16 3.59 55.44 2 0 10.20 -999 ? O1 EDO D 129 >ILE~G 31 37.45 3.29 55.39 38.39 2.73 56.32 37.92 3.01 55.85 3 0 11.00 -999 ? C1 EDO D 129 >MET?G 32 37.03 4.79 51.16 36.22 1.75 48.31 36.63 3.27 49.73 2 0 14.23 -999 ? C1 EDO D 129 >ARG~G 33 30.17 7.36 51.48 28.21 6.13 49.43 29.19 6.74 50.46 2 0 16.03 -999 ? C2 EDO H 128 >PRO.G 34 35.35 9.52 53.48 35.19 9.51 51.26 35.28 9.52 52.37 3 0 16.35 -999 ? O2 EDO G 129 >ALA.G 35 38.02 9.70 48.45 38.99 8.47 48.35 38.50 9.09 48.40 2 0 14.26 -999 ? O2 EDO G 129 >PHE^G 36 35.60 7.31 45.30 37.26 5.07 45.03 36.43 6.19 45.16 3 0 15.20 -999 ? C2 EDO H 128 >SER^G 37 33.18 12.37 44.04 32.39 13.71 42.14 32.79 13.04 43.09 2 0 6.61 -999 ? C2 EDO H 128 >SER^G 38 29.44 11.77 43.97 28.34 13.87 43.52 28.89 12.82 43.75 2 0 6.65 -999 ? C2 EDO H 128 >GLN^G 39 29.32 14.16 39.80 27.26 13.74 39.61 28.29 13.95 39.70 2 0 -4.09 -999 ? C2 EDO H 128s >ALA^G 40 32.74 9.13 40.29 33.57 8.78 41.50 33.15 8.95 40.90 2 0 10.25 -999 ? C2 EDO H 128 >THR^G 41 32.61 5.99 38.14 32.40 6.83 36.15 32.50 6.41 37.15 2 0 10.69 -999 ? O2 EDO H 128 >ILE^G 42 34.06 1.71 39.50 34.06 0.62 40.21 34.06 1.17 39.86 3 0 16.83 -999 ? C2 EDO H 128 >PHE^G 43 33.51 1.82 33.58 31.10 3.10 33.27 32.30 2.46 33.42 3 0 15.08 -999 ? O2 EDO H 128 >GLY^G 44 36.70 -2.77 34.33 35.91 -2.70 33.99 36.30 -2.73 34.16 1 0 12.95 -999 ? O2 EDO G 128 >VAL^G 45 36.34 -5.62 31.85 37.29 -5.60 29.92 36.82 -5.61 30.89 3 0 11.84 -999 ? O2 EDO G 128 >ASP.G 46 32.92 -8.95 32.88 31.89 -9.22 31.04 32.40 -9.09 31.96 2 0 15.81 -999 ? O2 EDO G 128 >VAL.G 47 35.44 -12.42 31.87 34.79 -14.43 32.50 35.12 -13.42 32.19 3 0 12.89 -999 ? O2 EDO G 128 >ASP.G 48 32.14 -12.11 28.29 31.25 -13.77 29.23 31.70 -12.94 28.76 2 0 17.23 -999 ? O2 EDO G 128 >ASN.G 49 36.43 -9.31 26.39 37.92 -10.81 26.51 37.17 -10.06 26.45 2 0 12.01 -999 ? O2 EDO G 128 >LEU^G 51 32.37 -2.04 29.22 33.09 -0.05 29.78 32.73 -1.04 29.50 3 0 17.71 -999 ? C1 EDO H 129 >THR^G 52 31.34 -3.62 33.43 31.78 -5.19 34.90 31.56 -4.41 34.16 2 0 16.40 -999 ? O2 EDO G 128 >GLY^G 53 30.73 -0.89 36.01 30.12 -0.87 35.41 30.42 -0.88 35.71 1 0 17.81 -999 ? O2 EDO H 128 >GLY^G 54 28.97 2.42 36.41 29.63 2.34 36.95 29.30 2.38 36.68 1 0 14.37 -999 ? O2 EDO H 128 >PRO^G 55 26.21 4.86 38.60 28.37 4.34 38.80 27.29 4.60 38.70 3 0 12.49 -999 ? O2 EDO H 128 >ILE~G 56 31.94 5.40 42.68 32.66 5.25 43.01 32.30 5.33 42.85 3 0 13.24 -999 ? C2 EDO H 128 >GLN~G 57 25.87 2.74 45.52 26.37 3.34 47.51 26.12 3.04 46.52 2 0 17.01 -999 ? C2 EDO H 128 >GLY~G 58 28.67 -0.22 42.69 29.19 0.17 43.17 28.93 -0.03 42.93 1 0 17.94 -999 ? C2 EDO H 128 >LEU~G 59 33.38 0.47 43.83 35.49 0.13 44.32 34.43 0.30 44.07 3 0 17.03 -999 ? C1 EDO D 129 >PHE~G 60 31.17 2.86 47.68 32.55 5.22 47.17 31.86 4.04 47.43 3 0 16.32 -999 ? O1 EDO D 129 >ASP~G 61 27.23 -2.42 46.40 25.81 -0.89 46.86 26.52 -1.65 46.63 2 0 15.97 -999 ? O1 EDO D 129 >VAL~G 62 31.00 -5.10 46.27 31.93 -5.81 44.40 31.46 -5.45 45.33 3 0 14.60 -999 ? C1 EDO D 129 >ILE~G 63 34.05 -2.53 49.22 35.46 -2.77 49.21 34.75 -2.65 49.21 3 0 11.16 -999 ? C1 EDO D 129 >ASP~G 64 29.63 -3.17 51.85 30.41 -1.30 52.48 30.02 -2.24 52.16 2 0 9.42 -999 ? O1 EDO D 129 >ASN~G 65 27.67 -7.14 49.50 26.32 -5.57 50.03 27.00 -6.36 49.76 2 0 12.10 -999 ? O1 EDO D 129 >VAL~G 66 31.48 -9.47 48.74 31.48 -9.77 46.55 31.48 -9.62 47.64 3 0 12.64 -999 ? C1 EDO D 129 >PHE.G 67 36.29 -7.05 48.50 37.41 -6.73 45.98 36.85 -6.89 47.24 3 0 12.65 -999 ? C1 EDO D 129 >HIS.G 68 35.65 -12.40 52.89 33.99 -13.59 52.44 34.82 -13.00 52.66 3 0 9.43 -999 ? C1 EDO D 129 >PRO.G 69 37.08 -8.20 57.22 38.18 -8.45 55.30 37.63 -8.33 56.26 3 0 -4.69 -999 ? O2 EDO D 129s >SER.G 70 42.32 -8.72 54.23 41.36 -9.11 52.07 41.84 -8.92 53.15 2 0 10.04 -999 ? O2 EDO D 129 >PRO.G 71 44.09 -10.40 57.75 44.39 -8.55 56.52 44.24 -9.48 57.13 3 0 8.84 -999 ? O2 EDO D 129 >GLU.G 72 47.94 -11.86 55.47 48.96 -11.14 57.22 48.45 -11.50 56.35 2 0 13.57 -999 ? O2 EDO D 129 >ALA.G 73 46.81 -7.00 51.67 45.48 -6.26 51.49 46.14 -6.63 51.58 2 0 12.78 -999 ? O2 EDO D 129 >LYS^G 74 49.74 -4.91 50.46 52.01 -7.02 54.38 50.88 -5.97 52.42 2 0 16.12 -999 ? O1 EDO F 128 >ALA^G 75 49.33 -1.85 48.26 48.19 -0.93 48.58 48.76 -1.39 48.42 2 0 11.50 -999 ? O1 PEG G 130 >ALA^G 76 51.86 0.23 46.32 52.92 -0.54 45.54 52.39 -0.16 45.93 2 0 8.67 -999 ? O1 PEG G 130 >ILE^G 77 50.67 4.95 45.81 49.73 5.91 46.33 50.20 5.43 46.07 3 0 13.11 -999 ? O1 PEG G 130 >ALA^G 78 53.22 3.15 41.90 52.80 2.17 40.79 53.01 2.66 41.35 2 0 7.62 -999 ? C4 PEG G 130 >ARG^G 79 52.48 7.58 36.57 49.49 6.85 36.04 50.98 7.21 36.30 2 0 9.85 -999 ? O4 PEG G 130 >ILE^G 80 50.86 10.49 42.30 49.91 10.75 43.44 50.38 10.62 42.87 3 0 11.77 -999 ? O2 EDO G 129 >ASP^G 81 50.75 12.02 36.53 52.16 11.29 35.27 51.45 11.66 35.90 2 0 11.86 -999 ? O2 EDO F 129 >ILE^G 82 50.46 16.33 40.40 50.22 16.42 41.81 50.34 16.37 41.10 3 0 8.71 -999 ? O2 EDO F 129 >VAL^G 83 49.39 18.77 36.61 49.95 18.69 34.51 49.67 18.73 35.56 3 0 10.13 -999 ? C1 EDO E 128 >GLY.G 84 47.65 21.72 38.22 47.57 20.93 38.40 47.61 21.32 38.31 1 0 10.38 -999 ? O2 EDO G 129 >THR.G 85 44.13 20.73 39.24 42.90 22.33 38.40 43.52 21.53 38.82 2 0 11.01 -999 ? O2 EDO G 129 >ALA^G 86 44.38 17.26 37.56 44.21 17.24 36.06 44.29 17.25 36.81 2 0 13.08 -999 ? O2 EDO G 129 >ALA^G 87 46.19 14.10 38.57 46.42 14.10 40.11 46.30 14.10 39.34 2 0 10.46 -999 ? O2 EDO G 129 >SER^G 88 46.45 10.45 37.65 47.96 10.12 35.79 47.20 10.28 36.72 2 0 13.37 -999 ? O4 PEG G 130 >ALA^G 89 47.60 7.64 39.97 47.15 7.80 41.41 47.37 7.72 40.69 2 0 13.79 -999 ? O4 PEG G 130 >ARG^G 90 50.74 1.53 37.80 52.01 -1.04 36.74 51.38 0.25 37.27 2 0 -3.18 -999 ? C4 PEG G 130s >ILE^G 91 46.86 1.97 43.79 46.48 2.48 45.13 46.67 2.23 44.46 3 0 10.62 -999 ? O1 PEG G 130 >ASP^G 92 50.18 -2.52 42.13 50.44 -1.99 40.12 50.31 -2.26 41.13 2 0 -3.69 -999 ? O1 PEG G 130s >THR^G 93 47.40 -4.31 45.44 45.81 -3.45 46.66 46.61 -3.88 46.05 2 0 10.12 -999 ? O1 PEG G 130 >ASP^G 94 49.76 -8.34 46.67 51.15 -8.23 45.06 50.45 -8.29 45.86 2 0 7.42 -999 ? O1 PEG G 130 >ASP^G 95 47.30 -10.80 49.45 48.81 -11.98 48.56 48.05 -11.39 49.00 2 0 12.58 -999 ? O1 PEG G 130 >ILE^G 96 42.97 -6.81 48.23 42.39 -5.66 47.69 42.68 -6.23 47.96 3 0 12.99 -999 ? O1 PEG G 130 >SER.G 97 40.13 -10.69 49.32 37.74 -10.43 49.76 38.93 -10.56 49.54 2 0 11.12 -999 ? C1 EDO D 129 >GLY.G 98 41.92 -13.31 47.15 41.97 -12.54 46.96 41.95 -12.92 47.05 1 0 14.82 -999 ? O2 EDO G 128 >PHE^G 99 40.18 -10.43 43.77 37.61 -11.42 43.33 38.89 -10.92 43.55 3 0 13.00 -999 ? O2 EDO G 128 >ARG^G 100 49.11 -9.43 40.94 51.84 -8.85 39.56 50.48 -9.14 40.25 2 0 -3.41 -999 ? C1 PEG G 130s >PHE^G 101 42.31 -5.62 42.04 39.98 -7.00 42.69 41.14 -6.31 42.37 3 0 11.02 -999 ? O1 PEG G 130 >THR^G 102 46.15 -2.75 39.24 47.95 -2.63 38.03 47.05 -2.69 38.63 2 0 -4.19 -999 ? O1 PEG G 130s >ASP^G 103 43.50 0.74 40.94 42.39 -0.75 41.87 42.95 -0.01 41.40 2 0 10.54 -999 ? O1 PEG G 130 >PHE^G 104 45.55 2.85 35.61 47.72 1.32 34.63 46.63 2.09 35.12 3 0 8.15 -999 ? O4 PEG G 130 >PHE^G 105 42.69 5.86 41.41 42.36 3.70 43.16 42.53 4.78 42.29 3 0 13.80 -999 ? O1 PEG G 130 >ASN^G 106 40.88 10.35 36.43 41.85 10.05 34.51 41.36 10.20 35.47 2 0 15.03 -999 ? O2 EDO H 128 >LEU^G 107 42.54 12.70 41.52 43.44 11.00 42.59 42.99 11.85 42.06 3 0 11.34 -999 ? O2 EDO G 129 >LEU^G 108 39.51 16.98 39.57 39.29 17.09 37.44 39.40 17.03 38.50 3 0 10.22 -999 ? C1 EDO H 128 >LYS^G 109 41.34 19.18 42.93 45.75 22.63 45.96 43.54 20.91 44.44 2 0 -2.98 -999 ? O1 EDO G 129s >VAL^G 110 37.76 20.35 43.64 35.97 19.42 42.87 36.86 19.89 43.25 3 0 9.36 -999 ? C1 EDO H 128 >GLU.G 111 34.80 23.35 45.63 32.94 23.68 46.53 33.87 23.51 46.08 2 0 10.70 -999 ? C1 EDO H 128 >GLY.G 112 40.88 22.82 47.36 40.45 22.19 47.19 40.67 22.50 47.27 1 0 5.76 -999 ? O1 EDO G 129 >TRP^G 114 44.93 17.06 46.03 45.21 17.42 42.14 45.07 17.24 44.08 3 0 5.68 -999 ? O2 EDO G 129 >THR^G 115 38.78 13.72 44.74 36.75 14.43 44.25 37.77 14.08 44.50 2 0 10.53 -999 ? C1 EDO H 128 >VAL^G 116 38.64 10.62 42.56 39.33 8.55 42.89 38.98 9.58 42.73 3 0 13.58 -999 ? C2 EDO H 128 >VAL^G 117 36.32 11.02 39.58 36.73 12.96 38.62 36.52 11.99 39.10 3 0 9.32 -999 ? C2 EDO H 128 >SER^G 118 37.24 7.73 37.80 37.80 6.71 35.62 37.52 7.22 36.71 2 0 13.71 -999 ? O2 EDO H 128 >LYS^G 119 38.70 4.41 38.83 38.88 -0.67 42.44 38.79 1.87 40.64 2 0 13.83 -999 ? O1 PEG G 130 >ILE^G 120 39.80 1.82 34.91 40.18 2.52 33.73 39.99 2.17 34.32 3 0 13.55 -999 ? C1 EDO H 129 >TYR^G 121 39.17 -2.94 38.28 36.68 -4.16 37.75 37.92 -3.55 38.01 3 0 12.24 -999 ? O2 EDO G 128 >HIS^G 122 44.32 -6.16 34.43 44.66 -8.05 33.59 44.49 -7.11 34.01 3 0 -4.12 -999 ? O2 EDO G 128s >THR^G 123 42.28 -8.03 37.75 40.51 -8.76 38.73 41.40 -8.40 38.24 2 0 8.59 -999 ? O2 EDO G 128 >HIS.G 124 47.32 -8.63 37.99 48.32 -6.89 37.37 47.82 -7.76 37.68 3 0 -4.45 -999 ? O1 PEG G 130s >PRO.G 125 46.84 -13.87 35.62 45.21 -13.30 37.08 46.03 -13.58 36.35 3 0 -4.63 -999 ? O2 EDO G 128s >THR.H 4 50.12 -9.40 23.09 48.21 -8.39 22.97 49.16 -8.89 23.03 2 0 -5.62 -999 ? O2 EDO H 129s >THR~H 5 53.17 -7.24 23.88 54.46 -7.43 22.12 53.82 -7.33 23.00 2 0 -6.25 -999 ? O2 EDO H 129s >TYR~H 6 54.42 -1.63 26.53 53.99 1.13 26.77 54.20 -0.25 26.65 3 0 -6.22 -999 ? C2 EDO H 129s >VAL~H 7 54.52 -2.29 22.04 56.36 -2.18 20.84 55.44 -2.24 21.44 3 0 8.46 -999 ? O2 EDO H 129 >GLN~H 8 52.03 -6.12 19.30 51.63 -8.19 19.29 51.83 -7.15 19.29 2 0 8.26 -999 ? O2 EDO H 129 >GLU~H 9 48.57 -4.41 24.46 46.67 -5.00 23.66 47.62 -4.70 24.06 2 0 6.03 -999 ? O2 EDO H 129 >TYR~H 10 52.78 2.48 22.82 53.49 5.13 22.45 53.14 3.80 22.64 3 0 10.93 -999 ? C2 EDO H 129 >HIS~H 11 52.57 0.97 18.04 54.50 1.82 17.98 53.53 1.40 18.01 3 0 12.48 -999 ? O2 EDO H 129 >ALA~H 12 46.62 0.18 19.43 46.13 -1.13 20.08 46.37 -0.48 19.76 2 0 10.37 -999 ? O2 EDO H 129 >ILE~H 13 46.62 2.83 23.53 46.50 2.74 24.98 46.56 2.79 24.25 3 0 10.10 -999 ? C2 EDO H 129 >VAL~H 14 47.94 5.46 20.05 50.02 6.16 19.71 48.98 5.81 19.88 3 0 14.08 -999 ? C2 EDO H 129 >GLU~H 15 44.10 3.51 15.51 44.24 2.21 13.85 44.17 2.86 14.68 2 0 17.53 -999 ? O2 EDO H 129 >VAL~H 16 42.62 5.50 19.40 41.43 4.22 20.80 42.02 4.86 20.10 3 0 15.85 -999 ? C2 EDO H 129 >LEU~H 17 45.32 8.52 22.05 45.03 8.26 24.20 45.17 8.39 23.12 3 0 15.79 -999 ? C2 EDO H 129 >SER~H 18 45.23 9.96 17.58 47.28 8.93 16.82 46.26 9.45 17.20 2 0 18.65 -999 ? C2 EDO H 129 >LYS~H 19 41.49 10.18 16.67 39.01 4.38 15.72 40.25 7.28 16.20 2 0 19.87 -999 ? C2 EDO H 129 >TYR~H 20 41.28 13.07 22.21 41.16 15.27 23.96 41.22 14.17 23.09 3 0 18.49 -999 ? O2 EDO H 128 >ASN~H 21 45.40 14.26 18.76 46.30 13.77 20.61 45.85 14.01 19.69 2 0 17.85 -999 ? O2 EDO E 128 >GLY~H 23 39.13 15.54 16.26 39.84 15.94 16.43 39.49 15.74 16.35 1 0 22.67 -999 ? O2 EDO H 128 >GLY~H 24 40.35 18.38 18.48 40.51 18.26 17.69 40.43 18.32 18.09 1 0 21.42 -999 ? O2 EDO H 128 >LYS~H 25 42.64 19.96 15.90 47.33 20.46 12.42 44.98 20.21 14.16 2 0 20.07 -999 ? O1 EDO K 129 >LYS~H 26 39.99 19.84 13.18 42.72 15.88 10.16 41.35 17.86 11.67 2 0 22.54 -999 ? O1 EDO K 129 >ALA~H 27 37.26 20.93 15.69 37.06 22.42 15.55 37.16 21.67 15.62 2 0 23.10 -999 ? O2 EDO H 128 >ASP~H 28 35.60 17.52 13.13 34.18 16.29 12.16 34.89 16.91 12.64 2 0 24.77 -999 ? O2 EDO H 128 >SER~H 29 33.62 15.69 17.18 31.17 15.88 17.39 32.39 15.78 17.29 2 0 19.08 -999 ? O2 EDO H 128 >THR~H 30 32.75 12.98 14.62 31.87 13.90 12.83 32.31 13.44 13.73 2 0 23.84 -999 ? O2 EDO H 128 >ILE~H 31 37.59 13.13 13.81 38.63 13.55 12.82 38.11 13.34 13.32 3 0 25.11 -999 ? O2 EDO H 128 >MET?H 32 37.06 11.72 18.05 36.56 14.85 20.93 36.81 13.28 19.49 2 0 17.43 -999 ? O2 EDO H 128 >ARG~H 33 29.96 9.68 17.94 27.99 11.35 19.63 28.98 10.51 18.79 2 0 17.51 -999 ? O2 EDO H 128 >PRO.H 34 34.81 7.18 15.87 34.64 7.25 18.12 34.72 7.22 17.00 3 0 22.39 -999 ? O2 EDO H 128 >ALA.H 35 37.61 6.81 20.81 38.65 7.93 20.85 38.13 7.37 20.83 2 0 19.40 -999 ? C1 EDO H 129 >PHE^H 36 35.56 9.49 24.08 37.45 11.51 24.28 36.50 10.50 24.18 3 0 15.79 -999 ? O2 EDO H 128 >SER^H 37 32.71 4.62 25.30 33.70 2.76 26.52 33.21 3.69 25.91 2 0 17.85 -999 ? O2 EDO H 128 >SER^H 38 29.09 5.84 25.36 27.72 3.76 25.45 28.40 4.80 25.40 2 0 16.95 -999 ? O2 EDO H 128 >GLN^H 39 29.07 3.22 29.08 28.40 1.54 30.19 28.73 2.38 29.64 2 0 16.41 -999 ? O2 EDO H 128 >ALA^H 40 32.60 7.96 29.22 33.60 8.17 28.09 33.10 8.06 28.65 2 0 12.92 -999 ? O2 EDO H 128 >THR^H 41 32.75 11.01 31.42 32.48 10.18 33.43 32.61 10.59 32.43 2 0 8.21 -999 ? O2 EDO H 128 >ILE^H 42 34.56 14.90 29.68 34.53 16.07 28.83 34.55 15.48 29.25 3 0 9.34 -999 ? O2 EDO H 128 >PHE^H 43 34.03 15.08 35.62 31.53 14.02 36.12 32.78 14.55 35.87 3 0 -4.83 -999 ? O2 EDO H 128s >GLY^H 44 37.65 19.35 35.02 36.87 19.35 35.34 37.26 19.35 35.18 1 0 8.92 -999 ? C1 EDO H 128 >VAL^H 45 37.52 22.24 37.42 38.48 22.05 39.38 38.00 22.15 38.40 3 0 9.49 -999 ? C1 EDO H 128 >ASP.H 46 34.54 25.91 36.53 33.56 26.24 38.39 34.05 26.07 37.46 2 0 8.55 -999 ? O1 EDO H 128 >VAL.H 47 37.35 29.11 37.56 36.81 31.19 37.02 37.08 30.15 37.29 3 0 13.68 -999 ? O1 EDO H 128 >ASP.H 48 33.95 28.88 41.05 33.15 30.58 40.06 33.55 29.73 40.55 2 0 12.48 -999 ? O1 EDO H 128 >ASN.H 49 38.18 25.72 42.72 39.94 26.85 42.30 39.06 26.28 42.51 2 0 10.01 -999 ? O1 EDO G 129 >LYS.H 50 34.08 23.54 41.10 32.78 27.07 44.26 33.43 25.31 42.68 2 0 11.26 -999 ? C1 EDO H 128 >LEU^H 51 33.19 18.95 39.99 33.65 16.93 39.36 33.42 17.94 39.68 3 0 -4.49 -999 ? C1 EDO H 128s >THR^H 52 32.42 20.74 35.78 33.03 22.33 34.43 32.73 21.54 35.11 2 0 5.84 -999 ? O1 EDO H 128 >GLY^H 53 31.54 18.22 33.12 30.97 18.21 33.73 31.26 18.22 33.42 1 0 -4.59 -999 ? O2 EDO H 128s >GLY^H 54 29.77 14.90 32.91 30.29 15.04 32.26 30.03 14.97 32.58 1 0 4.05 -999 ? O2 EDO H 128 >PRO^H 55 26.83 14.53 29.63 28.78 13.63 30.30 27.81 14.08 29.96 3 0 6.90 -999 ? O2 EDO H 128 >ILE~H 56 32.00 11.69 26.49 32.73 11.75 26.09 32.37 11.72 26.29 3 0 11.83 -999 ? O2 EDO H 128 >GLN~H 57 26.40 15.10 23.65 26.89 14.72 21.61 26.65 14.91 22.63 2 0 14.89 -999 ? O2 EDO H 128 >GLY~H 58 29.43 17.79 26.52 29.90 17.33 26.01 29.67 17.56 26.27 1 0 9.83 -999 ? O2 EDO H 128 >LEU~H 59 33.98 16.44 25.26 36.10 16.41 24.75 35.04 16.43 25.01 3 0 13.01 -999 ? O2 EDO H 128 >PHE~H 60 31.41 14.40 21.49 32.45 11.88 22.10 31.93 13.14 21.79 3 0 15.31 -999 ? O2 EDO H 128 >ASP~H 61 28.29 20.20 22.85 26.65 18.90 22.57 27.47 19.55 22.71 2 0 13.98 -999 ? O2 EDO H 128 >VAL~H 62 32.29 22.25 22.89 33.41 22.64 24.73 32.85 22.45 23.81 3 0 14.16 -999 ? O1 EDO H 128 >ILE~H 63 34.85 19.36 19.86 36.32 19.38 19.78 35.58 19.37 19.82 3 0 18.08 -999 ? O2 EDO H 128 >ASP~H 64 30.49 20.49 17.29 31.10 18.55 16.66 30.79 19.52 16.97 2 0 19.85 -999 ? O2 EDO H 128 >ASN~H 65 29.05 24.63 19.77 27.48 23.26 19.27 28.26 23.95 19.52 2 0 18.20 -999 ? O1 EDO H 128 >VAL~H 66 33.03 26.52 20.52 33.10 26.82 22.69 33.06 26.67 21.60 3 0 17.60 -999 ? O1 EDO H 128 >PHE.H 67 37.56 23.66 20.51 38.65 23.11 23.01 38.11 23.39 21.76 3 0 18.34 -999 ? O1 EDO H 128 >HIS.H 68 37.28 28.92 16.11 35.79 30.23 16.79 36.54 29.58 16.45 3 0 20.30 -999 ? O1 EDO K 128 >PRO.H 69 38.28 24.58 11.77 39.39 24.77 13.73 38.84 24.67 12.75 3 0 22.39 -999 ? O2 EDO K 128 >SER.H 70 43.51 24.70 14.80 42.52 25.20 16.97 43.02 24.95 15.88 2 0 20.98 -999 ? O2 EDO E 128 >PRO.H 71 45.45 25.68 11.03 45.51 24.01 12.53 45.48 24.85 11.78 3 0 18.94 -999 ? O1 EDO K 129 >GLU.H 72 49.17 27.23 13.40 50.31 26.43 11.76 49.74 26.83 12.58 2 0 17.02 -999 ? O1 EDO K 129 >ALA.H 73 47.81 22.68 17.43 46.43 22.10 17.69 47.12 22.39 17.56 2 0 17.51 -999 ? O2 EDO E 128 >ALA^H 75 49.93 17.31 20.89 48.70 16.47 20.66 49.32 16.89 20.77 2 0 15.05 -999 ? O2 EDO E 128 >ALA^H 76 52.33 15.09 22.86 53.40 15.77 23.71 52.86 15.43 23.28 2 0 10.79 -999 ? C2 EDO E 128 >ILE^H 77 50.70 10.44 23.31 49.67 9.53 22.80 50.19 9.98 23.05 3 0 16.21 -999 ? C2 EDO H 129 >ALA^H 78 53.47 12.00 27.17 53.19 12.98 28.33 53.33 12.49 27.75 2 0 10.56 -999 ? C1 EDO E 128 >ARG^H 79 52.52 7.77 32.52 49.55 8.47 33.03 51.04 8.12 32.78 2 0 11.14 -999 ? O4 PEG G 130 >ILE^H 80 50.51 4.88 26.86 49.56 4.65 25.73 50.03 4.76 26.29 3 0 10.36 -999 ? C2 EDO H 129 >ASP^H 81 50.44 3.38 32.62 51.88 4.18 33.82 51.16 3.78 33.22 2 0 6.28 -999 ? O4 PEG G 130 >ILE^H 82 49.69 -0.91 28.74 49.42 -0.96 27.30 49.55 -0.94 28.02 3 0 4.67 -999 ? C2 EDO H 129 >VAL^H 83 48.53 -3.27 32.53 49.18 -3.27 34.63 48.85 -3.27 33.58 3 0 -4.23 -999 ? O1 EDO H 129s >GLY.H 84 46.44 -6.04 31.00 46.45 -5.23 30.79 46.44 -5.64 30.89 1 0 3.86 -999 ? O1 EDO H 129s >THR.H 85 43.02 -4.71 30.00 41.70 -6.22 30.82 42.36 -5.47 30.41 2 0 7.47 -999 ? O2 EDO G 128 >ALA^H 86 43.63 -1.30 31.61 43.43 -1.27 33.16 43.53 -1.28 32.39 2 0 8.63 -999 ? O1 EDO H 129 >ALA^H 87 45.67 1.73 30.61 45.95 1.70 29.06 45.81 1.71 29.84 2 0 8.25 -999 ? C1 EDO H 129 >SER^H 88 46.18 5.31 31.56 47.82 5.34 33.34 47.00 5.32 32.45 2 0 9.29 -999 ? O4 PEG G 130 >ALA^H 89 47.49 8.01 29.23 46.97 7.83 27.77 47.23 7.92 28.50 2 0 13.32 -999 ? O4 PEG G 130 >ARG^H 90 51.23 13.83 31.25 52.68 16.27 32.37 51.95 15.05 31.81 2 0 7.83 -999 ? C1 EDO E 128 >ILE^H 91 47.18 13.79 25.37 46.68 13.29 24.04 46.93 13.54 24.71 3 0 15.57 -999 ? O2 EDO E 128 >ASP^H 92 50.86 17.97 27.03 51.16 17.27 28.96 51.01 17.62 27.99 2 0 8.93 -999 ? O2 EDO E 128 >THR^H 93 48.23 19.96 23.75 46.49 19.23 22.60 47.36 19.59 23.17 2 0 14.58 -999 ? O2 EDO E 128 >ASP^H 94 50.94 23.68 22.46 52.40 23.51 24.03 51.67 23.60 23.25 2 0 8.85 -999 ? O2 EDO E 128 >ASP^H 95 48.74 26.33 19.64 50.40 27.40 20.43 49.57 26.86 20.03 2 0 13.75 -999 ? O2 EDO E 128 >ILE^H 96 44.06 22.88 20.83 43.36 21.77 21.36 43.71 22.32 21.10 3 0 17.35 -999 ? O2 EDO E 128 >SER.H 97 41.52 26.97 19.79 39.70 25.66 18.89 40.61 26.31 19.34 2 0 22.09 -999 ? O1 EDO H 128 >GLY.H 98 43.53 29.41 21.94 43.48 28.63 22.14 43.50 29.02 22.04 1 0 18.40 -999 ? O2 EDO E 128 >PHE^H 99 41.58 26.67 25.28 39.10 27.92 25.73 40.34 27.30 25.50 3 0 18.17 -999 ? O1 EDO H 128 >ARG^H 100 50.53 24.90 26.94 51.78 26.06 29.51 51.15 25.48 28.23 2 0 7.42 -999 ? O2 EDO E 128 >PHE^H 101 43.34 21.60 27.03 41.17 23.23 26.36 42.25 22.41 26.70 3 0 16.42 -999 ? O2 EDO E 128 >THR^H 102 46.95 18.44 29.93 48.73 18.13 31.17 47.84 18.28 30.55 2 0 10.43 -999 ? O2 EDO E 128 >ASP^H 103 43.96 15.19 28.27 42.87 16.72 27.31 43.42 15.96 27.79 2 0 16.71 -999 ? O2 EDO E 128 >PHE^H 104 45.92 12.95 33.62 48.24 14.21 34.54 47.08 13.58 34.08 3 0 14.10 -999 ? C1 EDO E 128 >PHE^H 105 42.78 10.15 27.77 42.36 12.32 26.07 42.57 11.24 26.92 3 0 17.76 -999 ? O2 EDO H 128 >ASN^H 106 40.67 5.85 32.82 41.63 6.15 34.72 41.15 6.00 33.77 2 0 14.48 -999 ? O4 PEG G 130 >LEU^H 107 42.08 3.40 27.69 43.11 4.99 26.60 42.60 4.20 27.15 3 0 12.33 -999 ? C1 EDO H 129 >LEU^H 108 38.65 -0.55 29.75 38.50 -0.64 31.91 38.58 -0.60 30.83 3 0 12.43 -999 ? C1 EDO H 129 >LYS^H 109 40.31 -2.97 26.32 44.27 -6.85 23.33 42.29 -4.91 24.83 2 0 8.00 -999 ? O2 EDO H 129 >VAL^H 110 36.67 -3.88 25.59 34.99 -2.70 26.41 35.83 -3.29 26.00 3 0 14.54 -999 ? C1 EDO H 129 >GLU.H 111 33.59 -7.18 23.63 31.63 -7.06 22.92 32.61 -7.12 23.27 2 0 19.31 -999 ? C1 EDO H 129 >GLY.H 112 39.50 -6.50 21.86 39.12 -5.85 22.03 39.31 -6.17 21.95 1 0 12.68 -999 ? C1 EDO H 129 >TRP^H 114 43.96 -1.23 23.09 44.32 -1.53 27.02 44.14 -1.38 25.05 3 0 8.18 -999 ? C1 EDO H 129 >THR^H 115 38.20 2.69 24.58 36.15 2.12 25.13 37.18 2.41 24.85 2 0 16.21 -999 ? C1 EDO H 129 >VAL^H 116 38.30 5.81 26.75 39.22 7.78 26.46 38.76 6.79 26.60 3 0 16.80 -999 ? C1 EDO H 129 >VAL^H 117 35.95 5.61 29.80 36.28 3.62 30.69 36.11 4.61 30.25 3 0 15.56 -999 ? O2 EDO H 128 >SER^H 118 37.21 8.77 31.47 37.94 9.64 33.66 37.58 9.21 32.57 2 0 12.10 -999 ? O2 EDO H 128 >LYS^H 119 39.00 11.93 30.53 39.54 16.89 26.77 39.27 14.41 28.65 2 0 14.55 -999 ? O2 EDO H 128 >ILE^H 120 40.28 14.46 34.38 40.64 13.78 35.57 40.46 14.12 34.98 3 0 12.30 -999 ? O2 EDO H 128 >TYR^H 121 40.02 19.23 30.94 37.64 20.62 31.45 38.83 19.92 31.20 3 0 11.64 -999 ? O1 EDO H 128 >HIS^H 122 45.43 22.05 34.77 45.90 23.90 35.64 45.66 22.98 35.21 3 0 13.33 -999 ? O2 EDO E 128 >THR^H 123 43.54 24.07 31.48 41.79 24.85 30.42 42.67 24.46 30.95 2 0 15.62 -999 ? O1 EDO H 128 >HIS.H 124 48.60 24.23 31.10 49.44 22.43 31.79 49.02 23.33 31.44 3 0 9.24 -999 ? O2 EDO E 128 >PRO.H 125 48.81 29.50 33.09 47.06 29.10 31.71 47.93 29.30 32.40 3 0 12.42 -999 ? O2 EDO E 128 >ASN.I 3 65.09 25.96 -19.68 65.09 23.88 -20.21 65.09 24.92 -19.94 2 0 6.65 -999 ? O1 EDO I 129 >THR.I 4 60.40 25.20 -20.58 59.45 23.29 -20.61 59.92 24.25 -20.60 2 0 4.41 -999 ? C1 EDO I 129s >THR~I 5 57.00 26.81 -20.09 56.71 28.30 -21.65 56.85 27.55 -20.87 2 0 -6.55 -999 ? O1 EDO I 130s >TYR~I 6 51.82 24.99 -17.44 50.29 23.13 -16.10 51.06 24.06 -16.77 3 0 -5.27 -999 ? C1 EDO I 130s >VAL~I 7 52.28 25.80 -22.53 51.35 27.56 -23.56 51.81 26.68 -23.05 3 0 8.23 -999 ? O1 EDO I 130 >GLN~I 8 57.03 25.88 -24.88 59.01 26.63 -24.56 58.02 26.26 -24.72 2 0 5.22 -999 ? C1 EDO I 129 >GLU~I 9 56.90 21.25 -20.15 58.37 19.99 -21.04 57.63 20.62 -20.59 2 0 -2.99 -999 ? O2 EDO I 129s >TYR~I 10 48.92 21.75 -22.40 46.31 21.12 -23.09 47.61 21.43 -22.74 3 0 10.84 -999 ? O1 EDO I 130 >HIS~I 11 50.69 23.03 -26.93 49.02 24.31 -26.91 49.86 23.67 -26.92 3 0 9.64 -999 ? C2 EDO I 129 >ALA~I 12 54.26 18.14 -25.94 55.61 18.24 -25.30 54.94 18.19 -25.62 2 0 -3.51 -999 ? C2 EDO I 129s >ILE~I 13 51.69 16.25 -22.20 51.67 16.03 -20.81 51.68 16.14 -21.51 3 0 8.19 -999 ? O2 EDO I 129 >VAL~I 14 49.05 16.50 -25.90 47.52 18.03 -26.21 48.28 17.27 -26.05 3 0 10.72 -999 ? C2 EDO I 129 >GLU~I 15 53.03 15.24 -30.61 54.61 16.43 -31.45 53.82 15.83 -31.03 2 0 8.31 -999 ? O1 EDO I 128 >VAL~I 16 51.73 12.03 -26.89 53.23 11.39 -25.41 52.48 11.71 -26.15 3 0 8.53 -999 ? C1 EDO I 128 >LEU~I 17 47.48 12.54 -24.58 47.88 12.35 -22.45 47.68 12.45 -23.52 3 0 12.16 -999 ? O2 EDO I 128 >SER~I 18 46.79 12.39 -29.16 46.69 13.49 -31.34 46.74 12.94 -30.25 2 0 8.38 -999 ? O2 EDO I 128 >LYS~I 19 48.34 9.11 -30.30 54.45 10.32 -30.50 51.40 9.72 -30.40 2 0 -3.85 -999 ? O1 EDO I 128s >TYR~I 20 45.47 6.82 -25.29 43.44 5.53 -23.89 44.46 6.18 -24.59 3 0 11.53 -999 ? O2 EDO I 128 >ASN~I 21 42.91 10.41 -28.52 42.61 11.12 -26.49 42.76 10.77 -27.50 2 0 12.14 -999 ? O2 EDO I 128 >GLU~I 22 45.01 8.83 -34.67 46.90 9.25 -35.60 45.96 9.04 -35.13 2 0 5.41 -999 ? O2 EDO I 128 >GLY~I 23 44.93 4.67 -31.82 44.24 5.06 -31.59 44.59 4.87 -31.71 1 0 7.19 -999 ? O2 EDO I 128 >GLY~I 24 41.76 4.00 -29.85 41.80 4.36 -30.60 41.78 4.18 -30.23 1 0 10.86 -999 ? O2 EDO I 128 >LYS~I 25 39.48 5.68 -32.40 37.21 11.00 -35.01 38.34 8.34 -33.70 2 0 14.85 -999 ? O2 EDO I 128 >LYS~I 26 41.10 3.86 -35.32 44.64 8.13 -38.51 42.87 5.99 -36.92 2 0 8.41 -999 ? O2 EDO I 128 >ALA.I 27 41.28 0.62 -33.28 40.09 -0.26 -33.68 40.68 0.18 -33.48 2 0 13.49 -999 ? O2 EDO I 128 >ASP~I 28 45.30 1.14 -35.42 47.13 0.57 -36.39 46.21 0.85 -35.90 2 0 8.21 -999 ? O2 EDO I 128 >SER~I 29 47.55 -0.28 -31.31 48.53 -2.54 -31.40 48.04 -1.41 -31.36 2 0 10.26 -999 ? O2 EDO I 128 >THR~I 30 50.41 0.62 -33.68 51.13 -0.06 -35.65 50.77 0.28 -34.66 2 0 7.33 -999 ? O2 EDO I 128 >ILE~I 31 48.05 4.83 -34.07 47.31 5.66 -34.98 47.68 5.24 -34.52 3 0 -4.25 -999 ? O2 EDO I 128s >MET?I 32 49.17 4.43 -29.63 46.49 2.17 -27.35 47.83 3.30 -28.49 2 0 9.41 -999 ? O2 EDO I 128 >ARG~I 33 54.28 -0.83 -30.02 53.27 -3.49 -28.77 53.78 -2.16 -29.39 2 0 11.75 -999 ? O2 EDO I 128 >PRO.I 34 54.28 5.10 -31.30 54.17 4.61 -29.15 54.23 4.86 -30.22 3 0 -4.27 -999 ? C1 EDO I 128s >ALA.I 35 52.89 6.96 -26.18 51.41 7.23 -26.11 52.15 7.10 -26.15 2 0 7.61 -999 ? O2 EDO I 128 >PHE^I 36 51.34 3.38 -23.52 48.62 4.04 -23.43 49.98 3.71 -23.48 3 0 10.85 -999 ? O2 EDO I 128 >SER^I 37 56.83 3.12 -21.78 58.19 2.70 -19.82 57.51 2.91 -20.80 2 0 7.76 -999 ? C2 EDO J 129 >SER^I 38 57.67 -0.54 -22.27 60.01 -0.44 -21.87 58.84 -0.49 -22.07 2 0 8.32 -999 ? O2 EDO J 129 >GLN^I 39 59.62 -0.96 -17.88 61.18 -0.50 -16.52 60.40 -0.73 -17.20 2 0 -3.03 -999 ? O2 EDO J 129s >ALA^I 40 53.77 0.90 -18.47 53.21 1.80 -19.62 53.49 1.35 -19.04 2 0 11.34 -999 ? O2 EDO J 129 >THR^I 41 50.81 -0.79 -16.78 51.53 -0.97 -14.72 51.17 -0.88 -15.75 2 0 11.46 -999 ? O2 EDO J 129 >ILE^I 42 46.44 -0.90 -18.72 45.47 -1.41 -19.63 45.96 -1.16 -19.17 3 0 17.56 -999 ? O2 EDO I 128 >PHE^I 43 46.32 -2.29 -12.94 48.33 -4.19 -12.56 47.32 -3.24 -12.75 3 0 15.99 -999 ? O2 EDO J 129 >GLY^I 44 40.83 -1.08 -13.96 41.21 -1.76 -13.60 41.02 -1.42 -13.78 1 0 22.13 -999 ? O2 EDO J 129 >VAL^I 45 38.21 -2.82 -11.82 37.80 -2.09 -9.81 38.00 -2.46 -10.82 3 0 25.26 -999 ? O2 EDO J 129 >ASP.I 46 36.56 -7.09 -13.47 36.61 -8.33 -11.71 36.58 -7.71 -12.59 2 0 27.70 -999 ? O2 EDO J 129 >VAL.I 47 32.30 -6.27 -12.67 30.66 -7.52 -13.49 31.48 -6.89 -13.08 3 0 31.91 -999 ? O2 EDO I 128 >ASP.I 48 33.80 -9.70 -9.57 32.53 -11.05 -10.61 33.17 -10.37 -10.09 2 0 32.52 -999 ? O2 EDO J 129 >ASN.I 49 34.33 -4.86 -6.94 32.41 -4.01 -7.32 33.37 -4.43 -7.13 2 0 31.52 -999 ? O2 EDO J 129 >LYS.I 50 38.43 -6.97 -8.61 36.37 -10.58 -5.91 37.40 -8.78 -7.26 2 0 29.72 -999 ? O2 EDO J 129 >LEU^I 51 42.96 -5.44 -9.16 44.54 -4.01 -9.52 43.75 -4.72 -9.34 3 0 20.31 -999 ? O2 EDO J 129 >THR^I 52 42.24 -6.23 -13.64 40.64 -6.34 -15.18 41.44 -6.28 -14.41 2 0 23.19 -999 ? O2 EDO J 129 >GLY^I 53 45.08 -5.54 -16.05 45.29 -6.11 -15.47 45.19 -5.83 -15.76 1 0 18.78 -999 ? O2 EDO J 129 >GLY^I 54 48.88 -5.62 -15.93 48.57 -5.05 -16.48 48.73 -5.34 -16.20 1 0 15.23 -999 ? O2 EDO J 129 >PRO^I 55 51.37 -7.35 -18.91 50.95 -5.29 -18.24 51.16 -6.32 -18.58 3 0 14.08 -999 ? O2 EDO J 129 >ILE~I 56 51.12 -1.03 -21.64 50.63 -0.49 -21.92 50.87 -0.76 -21.78 3 0 14.26 -999 ? O2 EDO I 128 >GLN~I 57 51.16 -7.12 -25.34 51.37 -6.19 -27.24 51.26 -6.66 -26.29 2 0 14.71 -999 ? O2 EDO I 128 >GLY~I 58 47.09 -6.09 -22.62 47.30 -5.42 -23.01 47.19 -5.76 -22.81 1 0 17.72 -999 ? O2 EDO I 128 >LEU~I 59 46.09 -1.41 -23.36 45.21 0.52 -23.77 45.65 -0.44 -23.56 3 0 13.87 -999 ? O2 EDO I 128 >PHE~I 60 49.42 -2.15 -26.99 51.03 -0.07 -26.06 50.22 -1.11 -26.53 3 0 10.91 -999 ? O2 EDO I 128 >ASP~I 61 45.68 -7.79 -26.42 47.64 -8.73 -26.60 46.66 -8.26 -26.51 2 0 17.69 -999 ? O2 EDO I 128 >VAL~I 62 42.01 -5.22 -26.51 40.95 -4.75 -24.64 41.48 -4.99 -25.58 3 0 17.60 -999 ? O2 EDO I 128 >ILE~I 63 43.53 -1.39 -29.21 42.77 -0.14 -29.19 43.15 -0.77 -29.20 3 0 12.24 -999 ? O2 EDO I 128 >ASP~I 64 44.83 -5.41 -31.98 46.31 -3.91 -32.21 45.57 -4.66 -32.10 2 0 12.16 -999 ? O2 EDO I 128 >ASN~I 65 41.79 -9.02 -30.29 43.82 -9.39 -30.78 42.80 -9.20 -30.53 2 0 18.33 -999 ? O2 EDO I 128 >VAL~I 66 38.07 -6.27 -29.46 37.66 -6.64 -27.33 37.86 -6.45 -28.39 3 0 19.86 -999 ? O2 EDO I 128 >PHE.I 67 38.33 -1.09 -28.79 37.90 -0.26 -26.15 38.11 -0.68 -27.47 3 0 16.62 -999 ? O2 EDO I 128 >HIS.I 68 33.94 -1.46 -33.79 32.34 -0.92 -32.55 33.14 -1.19 -33.17 3 0 20.07 -999 ? O2 EDO I 128 >PRO.I 69 38.08 0.70 -37.56 37.06 1.18 -35.64 37.57 0.94 -36.60 3 0 15.43 -999 ? O2 EDO I 128 >SER.I 70 34.71 4.37 -34.10 34.72 3.01 -32.11 34.72 3.69 -33.10 2 0 17.28 -999 ? O2 EDO I 128 >PRO.I 71 32.54 5.85 -37.56 34.01 6.67 -36.05 33.27 6.26 -36.80 3 0 18.46 -999 ? O2 EDO I 128 >GLU.I 72 29.43 8.44 -34.76 27.52 7.59 -34.51 28.47 8.01 -34.63 2 0 23.96 -999 ? O2 EDO I 128 >ALA.I 73 34.26 8.56 -30.85 35.46 7.59 -30.80 34.86 8.07 -30.83 2 0 16.27 -999 ? O2 EDO I 128 >LYS^I 74 34.98 11.89 -29.12 31.95 13.33 -33.12 33.46 12.61 -31.12 2 0 20.51 -999 ? O2 EDO I 128 >ALA^I 75 37.77 12.44 -26.55 39.14 11.82 -26.85 38.46 12.13 -26.70 2 0 14.89 -999 ? O2 EDO I 128 >ALA^I 76 38.38 15.36 -24.19 37.15 15.94 -23.45 37.76 15.65 -23.82 2 0 19.74 -999 ? O2 EDO I 128 >ILE^I 77 43.13 16.15 -23.12 44.46 15.61 -23.49 43.79 15.88 -23.31 3 0 15.43 -999 ? C2 EDO I 129 >ALA^I 78 40.08 17.18 -19.34 39.26 16.27 -18.43 39.67 16.73 -18.89 2 0 18.37 -999 ? C1 EDO I 130 >ARG^I 79 43.74 17.73 -13.50 44.52 14.68 -13.36 44.13 16.20 -13.43 2 0 14.52 -999 ? C1 EDO I 130 >ILE^I 80 47.81 18.13 -18.91 48.49 17.58 -20.13 48.15 17.86 -19.52 3 0 10.21 -999 ? C1 EDO I 130 >ASP^I 81 48.67 18.07 -13.00 47.19 18.71 -11.84 47.93 18.39 -12.42 2 0 10.71 -999 ? C1 EDO I 130 >ILE^I 82 52.99 19.95 -16.37 53.29 19.98 -17.75 53.14 19.97 -17.06 3 0 4.46 -999 ? C1 EDO I 130 >VAL^I 83 55.39 19.54 -12.40 54.87 19.79 -10.28 55.13 19.66 -11.34 3 0 -4.15 -999 ? O2 EDO I 130s >GLY.I 84 58.94 19.32 -13.70 58.24 18.97 -14.01 58.59 19.15 -13.86 1 0 -3.68 -999 ? O2 EDO I 130s >THR.I 85 59.52 15.85 -15.09 61.39 15.25 -14.13 60.45 15.55 -14.61 2 0 8.44 -999 ? O2 EDO I 130 >ALA^I 86 56.14 14.45 -13.88 56.09 14.07 -12.35 56.12 14.26 -13.12 2 0 8.59 -999 ? O2 EDO I 130 >ALA^I 87 52.63 14.89 -15.13 52.64 15.47 -16.59 52.64 15.18 -15.86 2 0 8.37 -999 ? C1 EDO I 130 >SER^I 88 49.13 13.56 -14.62 48.00 14.62 -12.76 48.57 14.09 -13.69 2 0 12.08 -999 ? O2 EDO I 130 >ALA^I 89 46.37 13.66 -17.25 46.94 13.49 -18.65 46.65 13.57 -17.95 2 0 13.55 -999 ? C1 EDO I 130 >ARG^I 90 39.30 13.81 -15.57 36.33 13.86 -14.81 37.82 13.84 -15.19 2 0 21.85 -999 ? C1 EDO I 130 >ILE^I 91 41.78 11.10 -21.73 42.48 11.02 -23.03 42.13 11.06 -22.38 3 0 15.22 -999 ? O2 EDO I 128 >ASP^I 92 36.18 12.18 -20.54 36.35 12.31 -18.49 36.26 12.24 -19.51 2 0 22.10 -999 ? O2 EDO I 128 >THR^I 93 36.00 9.42 -24.22 37.60 8.42 -25.35 36.80 8.92 -24.78 2 0 16.25 -999 ? O2 EDO I 128 >ASP^I 94 31.51 10.03 -25.80 30.83 11.03 -24.03 31.17 10.53 -24.91 2 0 23.14 -999 ? O2 EDO I 128 >ASP^I 95 30.44 7.18 -29.04 28.78 8.11 -28.10 29.61 7.64 -28.57 2 0 23.38 -999 ? O2 EDO I 128 >ILE^I 96 35.79 4.80 -27.84 37.03 4.70 -27.19 36.41 4.75 -27.51 3 0 16.43 -999 ? O2 EDO I 128 >SER.I 97 33.54 0.76 -29.66 35.69 0.07 -30.52 34.61 0.42 -30.09 2 0 17.52 -999 ? O2 EDO I 128 >GLY.I 98 30.34 1.18 -27.63 31.02 1.44 -27.34 30.68 1.31 -27.48 1 0 22.74 -999 ? O2 EDO I 128 >PHE^I 99 33.49 0.27 -24.07 33.58 -2.55 -24.08 33.53 -1.14 -24.08 3 0 21.92 -999 ? O2 EDO I 128 >ARG^I 100 30.13 8.39 -20.45 29.45 10.87 -18.70 29.79 9.63 -19.57 2 0 26.92 -999 ? O2 EDO I 128 >PHE^I 101 36.68 3.91 -21.48 36.42 1.32 -22.48 36.55 2.62 -21.98 3 0 19.47 -999 ? O2 EDO I 128 >THR^I 102 37.37 8.16 -17.96 36.69 9.73 -16.63 37.03 8.94 -17.30 2 0 22.74 -999 ? O2 EDO I 128 >ASP^I 103 41.86 7.37 -19.36 41.03 5.94 -20.66 41.45 6.66 -20.01 2 0 16.74 -999 ? O2 EDO I 128 >PHE^I 104 42.38 9.42 -13.69 40.05 10.61 -12.72 41.21 10.01 -13.20 3 0 19.98 -999 ? C1 EDO I 130 >PHE^I 105 46.85 8.74 -19.25 45.25 7.59 -21.23 46.05 8.17 -20.24 3 0 14.56 -999 ? O2 EDO I 128 >ASN^I 106 51.30 8.36 -13.87 50.33 8.75 -12.00 50.82 8.56 -12.94 2 0 15.42 -999 ? O2 EDO I 130 >LEU^I 107 53.09 11.45 -18.52 51.27 11.72 -19.74 52.18 11.59 -19.13 3 0 11.17 -999 ? O2 EDO I 129 >LEU^I 108 58.04 10.05 -16.31 58.08 9.61 -14.13 58.06 9.83 -15.22 3 0 10.35 -999 ? C2 EDO J 129 >LYS^I 109 59.62 13.19 -19.14 61.17 18.99 -21.17 60.40 16.09 -20.15 2 0 -3.50 -999 ? O2 EDO I 129s >VAL^I 110 62.24 10.58 -19.97 61.96 8.45 -19.43 62.10 9.51 -19.70 3 0 9.96 -999 ? C2 EDO J 129 >GLU.I 111 66.50 9.47 -21.69 67.70 7.99 -22.52 67.10 8.73 -22.11 2 0 11.19 -999 ? C1 EDO J 129 >GLY.I 112 63.42 14.75 -23.13 63.03 14.08 -23.04 63.23 14.41 -23.09 1 0 6.32 -999 ? O2 EDO I 129 >TRP^I 114 56.51 15.93 -22.28 56.31 15.93 -18.35 56.41 15.93 -20.32 3 0 5.39 -999 ? O2 EDO I 129 >THR^I 115 55.90 8.84 -21.87 57.24 7.15 -21.39 56.57 7.99 -21.63 2 0 11.14 -999 ? C2 EDO J 129 >VAL^I 116 52.98 7.09 -20.13 50.90 6.97 -20.73 51.94 7.03 -20.43 3 0 13.21 -999 ? C1 EDO I 128 >VAL^I 117 53.94 4.74 -17.26 55.47 5.82 -16.08 54.71 5.28 -16.67 3 0 10.08 -999 ? C2 EDO J 129 >SER^I 118 50.47 4.10 -15.88 49.12 3.94 -13.85 49.80 4.02 -14.87 2 0 14.38 -999 ? O2 EDO J 129 >LYS^I 119 46.97 4.23 -17.16 42.80 2.81 -21.68 44.88 3.52 -19.42 2 0 15.41 -999 ? O2 EDO I 128 >ILE^I 120 43.84 3.68 -13.57 44.20 4.10 -12.29 44.02 3.89 -12.93 3 0 19.36 -999 ? O2 EDO J 129 >TYR^I 121 40.09 1.65 -17.65 40.01 -1.14 -17.50 40.05 0.25 -17.57 3 0 20.89 -999 ? O2 EDO I 128 >HIS^I 122 34.67 4.39 -13.80 32.71 3.94 -13.20 33.69 4.17 -13.50 3 0 27.06 -999 ? O2 EDO I 128 >THR^I 123 34.03 2.30 -17.51 34.19 0.55 -18.72 34.11 1.42 -18.11 2 0 23.76 -999 ? O2 EDO I 128 >HIS^I 124 31.51 6.69 -17.39 32.71 8.19 -16.54 32.11 7.44 -16.96 3 0 25.59 -999 ? O2 EDO I 128 >PRO.I 125 26.81 3.61 -15.69 28.03 2.67 -17.32 27.42 3.14 -16.50 3 0 29.81 -999 ? O2 EDO I 128 >THR.J 4 28.34 7.23 -2.76 29.94 5.74 -2.68 29.14 6.48 -2.72 2 0 30.93 -999 ? O2 EDO K 131 >THR~J 5 29.06 10.97 -2.80 28.17 11.74 -0.97 28.61 11.35 -1.89 2 0 24.81 -999 ? O2 EDO K 131 >TYR~J 6 33.88 14.49 -4.78 36.59 15.16 -4.76 35.23 14.82 -4.77 3 0 22.42 -999 ? C1 EDO K 129 >VAL~J 7 32.87 13.71 -0.23 32.08 15.33 1.05 32.48 14.52 0.41 3 0 23.71 -999 ? O2 EDO K 131 >GLN~J 8 30.18 9.67 1.81 28.39 8.58 1.52 29.28 9.13 1.66 2 0 28.28 -999 ? O2 EDO K 131 >GLU~J 9 33.63 7.87 -3.41 33.71 5.80 -2.93 33.67 6.83 -3.17 2 0 29.78 -999 ? C1 EDO K 129 >TYR~J 10 38.09 14.18 -0.45 40.15 15.92 0.23 39.12 15.05 -0.11 3 0 20.08 -999 ? C1 EDO K 129 >HIS~J 11 36.36 10.64 5.21 36.69 10.29 7.25 36.53 10.46 6.23 3 0 27.14 -999 ? C1 EDO K 129 >ALA~J 12 38.18 7.28 2.05 37.23 6.40 1.23 37.71 6.84 1.64 2 0 27.86 -999 ? C1 EDO K 129 >ILE~J 13 40.95 8.83 -1.67 41.04 8.95 -3.07 41.00 8.89 -2.37 3 0 23.01 -999 ? C1 EDO K 129 >VAL~J 14 42.56 10.64 2.21 42.26 12.76 2.77 42.41 11.70 2.49 3 0 21.33 -999 ? C1 EDO K 129 >GLU~J 15 41.56 6.37 6.65 39.67 6.11 7.58 40.61 6.24 7.11 2 0 26.15 -999 ? O2 EDO H 129 >VAL~J 16 44.70 5.81 2.43 44.18 4.41 0.81 44.44 5.11 1.62 3 0 24.36 -999 ? O2 EDO J 128 >LEU~J 17 46.62 9.84 0.42 46.54 9.62 -1.76 46.58 9.73 -0.67 3 0 20.15 -999 ? C1 EDO K 129 >SER~J 18 47.49 9.72 5.01 45.62 11.08 5.66 46.55 10.40 5.33 2 0 21.87 -999 ? C1 EDO K 129 >LYS~J 19 49.24 6.35 5.60 45.01 1.64 5.68 47.12 3.99 5.64 2 0 23.97 -999 ? O2 EDO H 129 >TYR~J 20 52.30 8.04 0.49 54.38 9.21 -0.95 53.34 8.62 -0.23 3 0 15.41 -999 ? O2 EDO J 128 >ASN~J 21 51.36 11.85 4.44 50.71 12.77 2.58 51.03 12.31 3.51 2 0 17.53 -999 ? O2 EDO J 128 >GLU~J 22 52.23 8.29 10.14 50.79 7.20 11.26 51.51 7.74 10.70 2 0 19.11 -999 ? O2 EDO J 128 >GLY~J 23 55.09 6.38 6.56 55.15 7.22 6.43 55.12 6.80 6.49 1 0 13.92 -999 ? O2 EDO J 128 >GLY~J 24 57.28 8.93 4.71 57.03 8.98 5.52 57.16 8.95 5.11 1 0 10.95 -999 ? O2 EDO J 128 >LYS~J 25 57.53 11.33 7.64 55.47 16.04 10.69 56.50 13.69 9.17 2 0 15.31 -999 ? O2 EDO J 128 >LYS~J 26 58.34 8.54 10.14 54.44 9.66 13.37 56.39 9.10 11.75 2 0 16.64 -999 ? O2 EDO J 128 >ALA.J 27 60.60 6.74 7.57 62.07 7.14 7.82 61.33 6.94 7.69 2 0 7.99 -999 ? O2 EDO J 128 >ASP~J 28 57.99 3.54 9.61 57.40 1.62 10.29 57.69 2.58 9.95 2 0 15.38 -999 ? O2 EDO J 128 >SER~J 29 57.40 1.64 5.17 58.68 -0.36 4.67 58.04 0.64 4.92 2 0 14.48 -999 ? O2 EDO J 128 >THR~J 30 55.19 -0.63 7.30 56.18 -1.35 9.09 55.68 -0.99 8.20 2 0 17.67 -999 ? O2 EDO J 128 >ILE~J 31 53.25 3.70 8.56 53.20 4.64 9.64 53.22 4.17 9.10 3 0 17.01 -999 ? O2 EDO J 128 >MET?J 32 52.48 3.15 4.11 55.79 4.40 1.69 54.13 3.77 2.90 2 0 13.94 -999 ? O2 EDO J 128 >ARG~J 33 53.60 -4.12 3.66 56.05 -4.66 1.85 54.82 -4.39 2.76 2 0 -17.97 -999 ? O2 EDO J 129s >PRO.J 34 49.12 -0.90 5.68 49.41 -0.76 3.46 49.27 -0.83 4.57 3 0 22.03 -999 ? O2 EDO J 128 >ALA.J 35 48.04 1.98 0.83 48.66 3.35 0.95 48.35 2.66 0.89 2 0 20.93 -999 ? O2 EDO J 128 >PHE^J 36 51.53 1.55 -2.09 52.51 4.17 -1.93 52.02 2.86 -2.01 3 0 16.54 -999 ? O2 EDO J 129 >SER^J 37 48.41 -2.88 -4.27 47.67 -3.96 -6.32 48.04 -3.42 -5.30 2 0 17.58 -999 ? O2 EDO J 129 >SER^J 38 50.88 -5.81 -4.53 49.46 -7.70 -5.06 50.17 -6.76 -4.79 2 0 17.94 -999 ? O2 EDO J 129 >GLN^J 39 49.13 -6.54 -8.93 50.55 -8.00 -9.48 49.84 -7.27 -9.21 2 0 15.42 -999 ? O2 EDO J 129 >ALA^J 40 51.79 -1.23 -7.63 51.42 -0.38 -6.35 51.61 -0.80 -6.99 2 0 13.88 -999 ? O2 EDO J 129 >THR^J 41 54.77 0.53 -9.28 54.33 0.24 -11.40 54.55 0.38 -10.34 2 0 9.03 -999 ? O2 EDO J 129 >ILE^J 42 57.66 3.72 -7.20 58.64 4.15 -6.36 58.15 3.94 -6.78 3 0 9.50 -999 ? O1 EDO J 129 >PHE^J 43 58.15 3.91 -13.18 58.24 1.20 -13.91 58.19 2.55 -13.54 3 0 5.43 -999 ? O2 EDO J 129 >GLY^J 44 60.64 8.82 -11.52 60.95 8.16 -12.00 60.80 8.49 -11.76 1 0 8.54 -999 ? O1 EDO J 129 >VAL^J 45 63.43 10.27 -13.66 63.04 11.47 -15.47 63.24 10.87 -14.57 3 0 9.55 -999 ? O1 EDO J 129 >ASP.J 46 67.90 8.73 -12.39 68.76 8.17 -14.30 68.33 8.45 -13.34 2 0 7.50 -999 ? O1 EDO J 129 >VAL.J 47 69.87 12.59 -12.67 71.95 12.75 -11.91 70.91 12.67 -12.29 3 0 12.31 -999 ? O1 EDO J 129 >ASP.J 48 71.56 10.25 -16.58 73.20 10.05 -15.26 72.38 10.15 -15.92 2 0 11.78 -999 ? O1 EDO J 129 >ASN.J 49 67.04 12.79 -18.49 67.81 14.72 -18.03 67.43 13.76 -18.26 2 0 11.49 -999 ? O2 EDO I 129 >LYS.J 50 66.45 8.12 -17.38 71.81 5.69 -19.73 69.13 6.90 -18.56 2 0 9.90 -999 ? C1 EDO J 129 >LEU^J 51 62.56 5.30 -17.01 60.48 4.81 -16.64 61.52 5.06 -16.82 3 0 -5.01 -999 ? C2 EDO J 129s >THR^J 52 64.06 4.82 -12.69 65.03 5.79 -10.99 64.55 5.30 -11.84 2 0 -4.40 -999 ? O1 EDO J 129s >GLY^J 53 61.83 2.52 -10.63 62.17 2.09 -11.24 62.00 2.30 -10.93 1 0 -4.07 -999 ? O1 EDO J 129s >GLY^J 54 59.76 -0.66 -10.83 59.48 -0.11 -10.22 59.62 -0.39 -10.53 1 0 4.59 -999 ? O2 EDO J 129 >PRO^J 55 58.95 -4.44 -8.88 58.24 -2.35 -8.65 58.59 -3.39 -8.77 3 0 7.65 -999 ? O2 EDO J 129 >ILE~J 56 55.09 -0.29 -4.75 54.91 0.38 -4.34 55.00 0.05 -4.54 3 0 12.41 -999 ? O2 EDO J 129 >GLN~J 57 60.35 -4.25 -1.92 59.60 -4.06 0.07 59.98 -4.16 -0.93 2 0 15.09 -999 ? O1 EDO J 129 >GLY~J 58 61.67 -0.04 -4.31 61.02 0.14 -3.84 61.34 0.05 -4.08 1 0 9.27 -999 ? O1 EDO J 129 >LEU~J 59 58.48 3.30 -2.73 57.59 5.13 -1.97 58.04 4.21 -2.35 3 0 12.83 -999 ? O1 EDO J 129 >PHE~J 60 57.45 -0.36 0.45 54.76 -0.26 -0.30 56.11 -0.31 0.08 3 0 15.73 -999 ? O2 EDO J 129 >ASP~J 61 64.05 -0.63 -0.61 63.65 -2.73 -0.53 63.85 -1.68 -0.57 2 0 13.02 -999 ? O1 EDO J 129 >VAL~J 62 64.32 3.85 0.05 64.40 5.31 -1.58 64.36 4.58 -0.77 3 0 8.48 -999 ? O2 EDO J 128 >ILE~J 63 60.50 4.55 3.01 59.98 5.82 3.24 60.24 5.19 3.12 3 0 9.57 -999 ? O2 EDO J 128 >ASP~J 64 63.05 0.70 5.27 61.04 0.41 5.72 62.04 0.55 5.49 2 0 12.55 -999 ? O2 EDO J 128 >ASN~J 65 67.62 1.17 3.28 66.72 -0.76 3.55 67.17 0.20 3.41 2 0 11.49 -999 ? O2 EDO J 128 >VAL~J 66 67.90 5.71 3.07 68.35 6.00 0.96 68.12 5.86 2.01 3 0 -5.13 -999 ? O2 EDO J 128s >PHE.J 67 63.50 8.77 2.98 62.77 9.98 0.57 63.14 9.37 1.78 3 0 5.50 -999 ? O2 EDO J 128 >HIS.J 68 67.92 10.04 8.06 69.79 9.30 7.48 68.85 9.67 7.77 3 0 -4.10 -999 ? O2 EDO J 128s >PRO.J 69 63.19 8.56 11.82 63.15 10.02 10.13 63.17 9.29 10.98 3 0 8.74 -999 ? O2 EDO J 128 >SER.J 70 61.53 13.87 9.44 62.62 13.70 7.26 62.07 13.78 8.35 2 0 7.11 -999 ? O2 EDO J 128 >PRO.J 71 61.45 15.48 13.43 59.91 15.11 11.79 60.68 15.30 12.61 3 0 12.36 -999 ? O2 EDO J 128 >GLU.J 72 61.17 20.05 11.57 59.93 20.45 13.27 60.55 20.25 12.42 2 0 15.77 -999 ? C2 EDO J 128 >ALA.J 73 58.02 17.23 6.96 58.07 15.73 6.55 58.04 16.48 6.76 2 0 11.53 -999 ? O2 EDO J 128 >ALA^J 75 52.54 17.35 3.06 52.24 15.85 3.14 52.39 16.60 3.10 2 0 14.96 -999 ? O1 EDO K 129 >ALA^J 76 49.63 18.78 1.05 49.88 20.16 0.44 49.76 19.47 0.74 2 0 10.62 -999 ? O1 EDO K 129 >ILE^J 77 46.11 15.64 -0.16 45.70 14.30 0.14 45.91 14.97 -0.01 3 0 16.10 -999 ? C1 EDO K 129 >ALA^J 78 46.77 19.25 -3.52 47.94 19.46 -4.50 47.35 19.36 -4.01 2 0 10.19 -999 ? C1 EDO K 129 >ARG^J 79 43.76 17.30 -9.45 45.63 14.89 -10.13 44.69 16.09 -9.79 2 0 14.21 -999 ? O2 EDO I 130 >ILE^J 80 41.49 13.59 -4.39 41.61 12.49 -3.38 41.55 13.04 -3.89 3 0 19.15 -999 ? C1 EDO K 129 >ASP^J 81 40.63 13.59 -10.25 40.90 15.35 -11.21 40.76 14.47 -10.73 2 0 17.68 -999 ? C1 EDO I 130 >ILE^J 82 36.71 10.75 -7.06 36.67 10.27 -5.69 36.69 10.51 -6.37 3 0 24.15 -999 ? C1 EDO K 129 >VAL^J 83 35.35 9.18 -11.20 35.27 10.14 -13.20 35.31 9.66 -12.20 3 0 25.02 -999 ? C1 EDO I 130 >GLY.J 84 33.54 5.99 -10.19 34.26 6.28 -9.93 33.90 6.13 -10.06 1 0 28.86 -999 ? C1 EDO I 130 >THR.J 85 36.12 3.29 -9.42 35.46 1.55 -10.60 35.79 2.42 -10.01 2 0 27.75 -999 ? O2 EDO J 129 >ALA^J 86 39.15 5.40 -10.49 39.32 5.47 -12.02 39.24 5.44 -11.26 2 0 24.34 -999 ? O2 EDO J 129 >ALA^J 87 40.94 8.38 -8.87 40.72 8.35 -7.33 40.83 8.36 -8.10 2 0 22.55 -999 ? O2 EDO I 130 >SER^J 88 44.00 10.47 -9.36 45.29 11.76 -10.89 44.64 11.11 -10.13 2 0 16.20 -999 ? O2 EDO I 130 >ALA^J 89 45.76 12.40 -6.65 45.63 11.72 -5.28 45.69 12.06 -5.96 2 0 17.83 -999 ? O2 EDO I 130 >ARG^J 90 49.69 18.44 -7.66 51.39 20.92 -8.21 50.54 19.68 -7.94 2 0 7.70 -999 ? C1 EDO K 129 >ILE^J 91 50.80 14.00 -2.16 50.46 13.21 -0.96 50.63 13.60 -1.56 3 0 15.26 -999 ? C1 EDO K 129 >ASP^J 92 53.12 19.26 -2.83 52.73 19.55 -4.92 52.92 19.41 -3.88 2 0 8.51 -999 ? C1 EDO K 129 >THR^J 93 55.80 17.29 0.44 55.72 15.32 1.38 55.76 16.31 0.91 2 0 13.43 -999 ? O2 EDO J 128 >ASP^J 94 58.03 21.10 2.46 57.39 22.50 1.00 57.71 21.80 1.73 2 0 8.90 -999 ? O1 EDO K 129 >ASP^J 95 61.22 19.75 5.23 61.63 21.73 4.62 61.43 20.74 4.93 2 0 12.37 -999 ? C2 EDO J 128 >ILE^J 96 60.01 14.33 3.17 59.34 13.42 2.58 59.68 13.87 2.88 3 0 9.04 -999 ? O2 EDO J 128 >SER.J 97 64.69 13.64 4.51 64.66 11.35 5.11 64.67 12.49 4.81 2 0 -3.69 -999 ? O2 EDO J 128s >GLY.J 98 66.18 16.74 2.94 65.53 16.42 2.62 65.86 16.58 2.78 1 0 5.71 -999 ? C2 EDO J 128 >PHE^J 99 64.87 14.37 -1.04 67.06 12.71 -1.50 65.96 13.54 -1.27 3 0 4.77 -999 ? O1 EDO J 128 >ARG^J 100 59.44 21.81 -2.06 61.78 23.80 -1.68 60.61 22.81 -1.87 2 0 9.51 -999 ? O1 EDO K 129 >PHE^J 101 59.75 13.99 -3.10 62.08 12.60 -2.58 60.91 13.29 -2.84 3 0 9.67 -999 ? O1 EDO J 128 >THR^J 102 55.56 16.35 -6.04 54.64 17.99 -7.11 55.10 17.17 -6.58 2 0 8.30 -999 ? O2 EDO I 130 >ASP^J 103 53.69 12.09 -5.01 55.43 11.95 -3.85 54.56 12.02 -4.43 2 0 14.49 -999 ? O2 EDO I 130 >PHE^J 104 51.21 13.59 -10.35 51.59 16.32 -10.97 51.40 14.96 -10.66 3 0 9.92 -999 ? O2 EDO I 130 >PHE^J 105 49.60 8.87 -5.27 51.58 9.40 -3.39 50.59 9.13 -4.33 3 0 17.55 -999 ? O2 EDO I 130 >ASN^J 106 46.93 5.78 -11.02 46.97 7.03 -12.75 46.95 6.41 -11.89 2 0 17.51 -999 ? O2 EDO J 129 >LEU^J 107 43.67 5.48 -6.14 44.55 6.90 -4.72 44.11 6.19 -5.43 3 0 21.64 -999 ? O2 EDO J 129 >LEU^J 108 41.72 1.00 -8.86 41.90 1.02 -11.03 41.81 1.01 -9.95 3 0 21.55 -999 ? O2 EDO J 129 >LYS^J 109 38.54 1.11 -5.72 33.17 2.84 -2.85 35.86 1.97 -4.28 2 0 31.95 -999 ? O2 EDO J 129 >VAL^J 110 39.17 -2.61 -5.45 41.02 -3.52 -6.24 40.10 -3.06 -5.84 3 0 24.47 -999 ? O2 EDO J 129 >GLU.J 111 37.78 -6.85 -4.16 38.27 -8.82 -3.57 38.03 -7.84 -3.86 2 0 28.22 -999 ? O2 EDO J 129 >GLY.J 112 35.19 -1.61 -1.75 35.96 -1.66 -1.89 35.57 -1.63 -1.82 1 0 30.41 -999 ? O2 EDO J 129 >TRP^J 114 38.33 4.73 -2.05 38.23 5.46 -5.92 38.28 5.10 -3.98 3 0 27.14 -999 ? O2 EDO J 129 >THR^J 115 44.36 1.24 -3.40 44.89 -0.73 -4.20 44.62 0.26 -3.80 2 0 20.59 -999 ? O2 EDO J 129 >VAL^J 116 47.34 2.86 -5.09 48.72 4.43 -4.45 48.03 3.64 -4.77 3 0 17.96 -999 ? O2 EDO J 129 >VAL^J 117 48.44 1.13 -8.31 46.62 0.63 -9.46 47.53 0.88 -8.88 3 0 16.29 -999 ? O2 EDO J 129 >SER^J 118 51.00 3.74 -9.51 51.72 5.03 -11.53 51.36 4.39 -10.52 2 0 12.57 -999 ? O2 EDO J 129 >LYS^J 119 53.03 6.50 -7.91 57.13 8.69 -3.54 55.08 7.60 -5.72 2 0 13.35 -999 ? O2 EDO J 128 >ILE^J 120 55.07 9.22 -11.37 54.38 9.39 -12.64 54.72 9.30 -12.01 3 0 12.35 -999 ? C2 EDO J 129 >TYR^J 121 59.16 10.52 -7.45 61.44 8.99 -7.98 60.30 9.75 -7.72 3 0 10.65 -999 ? O1 EDO J 129 >HIS^J 122 59.84 17.05 -10.45 61.39 18.36 -11.01 60.61 17.71 -10.73 3 0 6.61 -999 ? O2 EDO I 130 >THR^J 123 62.22 15.71 -7.05 63.66 14.32 -6.26 62.94 15.01 -6.66 2 0 9.93 -999 ? O1 EDO J 128 >HIS.J 124 60.18 20.35 -6.30 58.22 20.43 -7.02 59.20 20.39 -6.66 3 0 7.58 -999 ? O2 EDO I 130 >PRO.J 125 65.08 22.69 -8.08 65.31 20.86 -6.80 65.20 21.77 -7.44 3 0 10.21 -999 ? O2 EDO I 130 >SER.J 126 67.50 21.93 -3.20 68.87 19.92 -3.14 68.18 20.92 -3.17 2 0 9.43 -999 ? O1 EDO J 128 >THR.K 4 57.38 30.17 -0.89 55.79 31.61 -0.75 56.59 30.89 -0.82 2 0 -5.36 -999 ? O1 EDO K 129s >THR~K 5 56.58 26.54 -1.65 57.44 25.38 -0.03 57.01 25.96 -0.84 2 0 -6.54 -999 ? O1 EDO K 129s >TYR~K 6 52.11 23.60 -4.68 49.77 23.43 -6.16 50.94 23.52 -5.42 3 0 5.10 -999 ? C1 EDO K 129 >VAL~K 7 52.84 23.31 0.49 53.61 21.54 1.54 53.23 22.43 1.01 3 0 8.36 -999 ? O1 EDO K 129 >GLN~K 8 55.63 27.07 3.03 57.29 28.38 2.95 56.46 27.72 2.99 2 0 8.32 -999 ? O1 EDO K 129 >GLU~K 9 51.99 29.71 -1.81 51.95 31.65 -0.86 51.97 30.68 -1.33 2 0 5.43 -999 ? O1 EDO K 129 >TYR~K 10 47.65 22.97 0.18 45.58 21.19 0.63 46.61 22.08 0.41 3 0 10.94 -999 ? C1 EDO K 129 >HIS~K 11 49.37 23.52 4.79 49.40 21.42 4.72 49.39 22.47 4.75 3 0 12.14 -999 ? O1 EDO K 129 >ALA~K 12 47.61 29.34 3.87 48.51 30.30 3.22 48.06 29.82 3.55 2 0 9.71 -999 ? O2 EDO K 130 >ILE~K 13 44.82 28.44 -0.07 44.68 28.63 -1.50 44.75 28.54 -0.79 3 0 10.01 -999 ? C1 EDO K 129 >VAL~K 14 43.23 26.03 3.44 43.49 23.89 3.73 43.36 24.96 3.59 3 0 13.99 -999 ? O1 EDO K 129 >VAL~K 16 41.07 30.73 4.43 41.60 32.37 3.07 41.34 31.55 3.75 3 0 13.57 -999 ? O1 EDO K 130 >LEU~K 17 39.21 27.04 1.96 39.36 27.58 -0.18 39.28 27.31 0.89 3 0 15.62 -999 ? C1 EDO K 129 >SER~K 18 38.29 26.50 6.45 38.93 25.62 8.64 38.61 26.06 7.55 2 0 19.86 -999 ? O2 EDO K 128 >LYS~K 19 36.68 29.75 7.64 40.97 34.31 8.16 38.83 32.03 7.90 2 0 14.30 -999 ? C2 EDO K 128 >TYR~K 20 33.37 28.86 2.39 31.22 28.02 0.85 32.29 28.44 1.62 3 0 13.03 -999 ? O2 EDO K 131 >ASN~K 21 34.45 24.52 5.52 35.09 24.03 3.53 34.77 24.27 4.53 2 0 18.40 -999 ? O2 EDO K 131 >GLU~K 22 34.06 27.06 11.73 35.48 28.13 12.85 34.77 27.59 12.29 2 0 18.74 -999 ? O2 EDO K 128 >GLY~K 23 31.01 29.57 8.78 30.94 28.78 8.57 30.98 29.18 8.68 1 0 14.62 -999 ? O2 EDO K 128 >GLY~K 24 28.72 27.47 6.57 28.98 27.31 7.35 28.85 27.39 6.96 1 0 14.41 -999 ? O2 EDO K 131 >LYS~K 25 28.52 24.58 9.04 29.59 19.72 11.22 29.06 22.15 10.13 2 0 22.91 -999 ? O2 EDO K 131 >LYS~K 26 27.82 26.86 12.01 33.10 26.90 15.57 30.46 26.88 13.79 2 0 20.83 -999 ? O1 EDO K 128 >ALA.K 27 25.47 28.98 9.85 23.99 28.57 10.05 24.73 28.77 9.95 2 0 15.55 -999 ? O2 EDO K 131 >ASP~K 28 28.22 31.78 12.27 28.76 33.57 13.30 28.49 32.68 12.79 2 0 14.00 -999 ? O1 EDO K 128 >SER~K 29 28.55 34.55 8.34 27.38 36.68 8.28 27.96 35.61 8.31 2 0 8.58 -999 ? O1 EDO K 128 >THR~K 30 30.88 36.37 10.78 29.91 36.64 12.72 30.39 36.51 11.75 2 0 11.57 -999 ? O1 EDO K 128 >ILE~K 31 32.79 31.88 11.20 33.02 30.73 12.13 32.91 31.30 11.66 3 0 15.05 -999 ? O1 EDO K 128 >MET?K 32 33.41 33.15 6.88 30.08 32.38 4.32 31.75 32.76 5.60 2 0 10.27 -999 ? O2 EDO K 128 >ARG~K 33 32.26 40.40 7.58 29.89 41.38 5.88 31.08 40.89 6.73 2 0 -3.27 -999 ? O1 EDO K 128s >PRO.K 34 36.86 36.88 8.82 36.52 37.16 6.64 36.69 37.02 7.73 3 0 9.83 -999 ? C2 EDO K 128 >ALA.K 35 37.79 34.77 3.67 37.11 33.38 3.62 37.45 34.07 3.64 2 0 11.10 -999 ? O2 EDO K 128 >PHE^K 36 34.15 35.68 0.80 33.12 33.08 0.56 33.63 34.38 0.68 3 0 8.38 -999 ? O2 EDO K 128 >SER^K 37 37.31 40.32 -0.58 37.90 41.72 -2.46 37.60 41.02 -1.52 2 0 7.89 -999 ? C2 EDO K 128 >SER^K 38 34.80 43.13 -0.22 35.91 45.29 -0.63 35.35 44.21 -0.43 2 0 5.49 -999 ? C2 EDO K 128 >GLN^K 39 35.85 45.11 -4.57 37.62 45.92 -5.46 36.74 45.52 -5.01 2 0 10.00 -999 ? C2 EDO K 128 >ALA^K 40 33.77 39.23 -4.14 34.08 38.19 -3.03 33.93 38.71 -3.59 2 0 6.88 -999 ? O2 EDO K 128 >THR^K 41 30.75 37.83 -5.99 31.19 38.54 -8.03 30.97 38.18 -7.01 2 0 8.24 -999 ? C1 EDO K 131 >ILE^K 42 28.00 34.33 -4.34 27.06 33.84 -3.48 27.53 34.09 -3.91 3 0 4.90 -999 ? O2 EDO K 131 >PHE^K 43 27.17 35.17 -10.14 26.85 37.89 -10.43 27.01 36.53 -10.28 3 0 7.17 -999 ? C1 EDO K 131 >GLY^K 44 24.87 30.03 -9.41 24.53 30.75 -9.76 24.70 30.39 -9.59 1 0 8.42 -999 ? O2 EDO K 131 >VAL^K 45 22.00 29.02 -11.67 22.43 28.30 -13.70 22.21 28.66 -12.68 3 0 11.58 -999 ? O2 EDO K 131 >ASP.K 46 17.54 30.18 -10.10 16.56 30.96 -11.82 17.05 30.57 -10.96 2 0 11.49 -999 ? O2 EDO K 131 >VAL.K 47 15.63 26.37 -11.14 13.60 25.92 -10.43 14.62 26.15 -10.79 3 0 14.66 -999 ? O2 EDO K 131 >ASP.K 48 13.97 29.66 -14.32 12.18 29.54 -13.20 13.08 29.60 -13.76 2 0 15.74 -999 ? O2 EDO K 131 >ASN.K 49 18.23 27.35 -16.95 17.61 25.31 -16.88 17.92 26.33 -16.91 2 0 17.75 -999 ? O2 EDO K 131 >LYS.K 50 18.77 31.74 -14.93 13.10 33.27 -16.28 15.94 32.50 -15.60 2 0 16.19 -999 ? C2 EDO K 131 >LEU^K 51 22.76 34.38 -14.16 24.83 34.79 -13.69 23.79 34.59 -13.93 3 0 10.39 -999 ? O2 EDO K 131 >THR^K 52 21.43 34.13 -9.77 20.39 32.85 -8.33 20.91 33.49 -9.05 2 0 6.14 -999 ? O2 EDO K 131 >GLY^K 53 23.59 35.92 -7.22 23.27 36.45 -7.78 23.43 36.19 -7.50 1 0 -3.63 -999 ? O2 EDO K 131s >GLY^K 54 25.64 39.11 -7.07 25.96 38.52 -6.55 25.80 38.82 -6.81 1 0 -3.70 -999 ? C1 EDO K 131s >PRO^K 55 26.39 42.74 -4.85 27.21 40.64 -4.85 26.80 41.69 -4.85 3 0 -3.90 -999 ? O1 EDO K 131s >ILE~K 56 30.54 38.11 -1.42 30.85 37.40 -1.21 30.69 37.76 -1.32 3 0 -5.24 -999 ? O2 EDO K 128s >GLN~K 57 25.58 41.98 2.20 26.40 41.54 4.14 25.99 41.76 3.17 2 0 -3.67 -999 ? O1 EDO K 128s >GLY~K 58 24.00 38.04 -0.47 24.69 37.76 -0.13 24.35 37.90 -0.30 1 0 -3.44 -999 ? C1 EDO K 131s >LEU~K 59 27.27 34.46 0.22 28.14 32.50 0.65 27.71 33.48 0.43 3 0 6.69 -999 ? O2 EDO K 131 >PHE~K 60 28.41 37.32 4.07 31.07 37.34 3.13 29.74 37.33 3.60 3 0 5.44 -999 ? O2 EDO K 128 >ASP~K 61 21.68 37.91 3.17 22.32 39.93 3.36 22.00 38.92 3.27 2 0 7.28 -999 ? O1 EDO K 131 >VAL~K 62 21.46 33.34 3.14 21.35 32.17 1.25 21.40 32.75 2.19 3 0 6.79 -999 ? O2 EDO K 131 >ILE~K 63 25.43 32.13 5.82 25.99 30.80 5.75 25.71 31.46 5.79 3 0 10.76 -999 ? O2 EDO K 131 >ASP~K 64 22.91 35.46 8.74 24.97 35.67 9.26 23.94 35.56 9.00 2 0 10.71 -999 ? O1 EDO K 128 >ASN~K 65 18.23 35.20 6.73 19.10 37.06 7.36 18.66 36.13 7.05 2 0 11.73 -999 ? O2 EDO K 131 >VAL~K 66 18.23 30.61 5.74 17.83 30.43 3.57 18.03 30.52 4.65 3 0 11.03 -999 ? O2 EDO K 131 >PHE.K 67 22.68 27.76 5.17 23.29 26.83 2.59 22.99 27.29 3.88 3 0 11.40 -999 ? O2 EDO K 131 >HIS.K 68 19.32 24.35 9.78 18.86 22.80 8.44 19.09 23.58 9.11 3 0 18.12 -999 ? O2 EDO K 131 >PRO.K 69 23.27 26.31 13.93 23.17 25.28 11.97 23.22 25.79 12.95 3 0 19.41 -999 ? O2 EDO K 131 >SER.K 70 24.52 21.51 10.48 23.51 22.43 8.48 24.01 21.97 9.48 2 0 18.10 -999 ? O2 EDO K 131 >PRO.K 71 24.57 18.98 14.03 26.02 19.55 12.38 25.29 19.26 13.20 3 0 23.42 -999 ? O2 EDO H 128 >ALA.K 73 28.01 18.76 7.35 28.01 20.30 7.39 28.01 19.53 7.37 2 0 19.73 -999 ? O2 EDO K 131 >LYS^K 74 31.09 17.24 5.72 31.30 12.93 9.23 31.20 15.09 7.48 2 0 27.45 -999 ? O2 EDO H 128 >ALA^K 75 33.28 19.32 3.36 33.46 20.80 3.65 33.37 20.06 3.51 2 0 19.76 -999 ? O2 EDO K 131 >ALA^K 76 36.15 18.12 1.14 35.89 16.84 0.38 36.02 17.48 0.76 2 0 21.63 -999 ? C1 EDO K 129 >ILE^K 77 39.65 21.50 0.31 40.03 22.78 0.79 39.84 22.14 0.55 3 0 16.06 -999 ? C1 EDO K 129 >ALA^K 78 38.90 18.51 -3.58 37.72 18.39 -4.56 38.31 18.45 -4.07 2 0 18.39 -999 ? C1 EDO K 129 >ARG^K 79 41.67 21.36 -9.17 39.74 23.80 -9.40 40.70 22.58 -9.28 2 0 14.55 -999 ? C2 EDO K 129 >ILE^K 80 44.20 24.20 -3.53 44.04 25.20 -2.32 44.12 24.70 -2.93 3 0 10.23 -999 ? C1 EDO K 129 >ASP^K 81 44.85 25.10 -9.34 44.59 23.49 -10.51 44.72 24.30 -9.92 2 0 10.84 -999 ? C2 EDO K 129 >ILE^K 82 48.83 27.38 -5.80 48.97 27.60 -4.39 48.90 27.49 -5.10 3 0 4.55 -999 ? C1 EDO K 129 >VAL^K 83 50.13 29.68 -9.66 50.09 29.22 -11.83 50.11 29.45 -10.75 3 0 4.37 -999 ? O2 EDO K 129 >GLY.K 84 51.92 32.63 -8.09 51.24 32.28 -7.88 51.58 32.46 -7.98 1 0 -3.82 -999 ? O2 EDO K 129s >THR.K 85 49.41 35.15 -6.74 50.17 37.03 -7.58 49.79 36.09 -7.16 2 0 5.29 -999 ? C1 EDO K 130 >ALA^K 86 46.38 33.24 -8.22 46.13 33.46 -9.72 46.26 33.35 -8.97 2 0 8.60 -999 ? C2 EDO K 129 >ALA^K 87 44.63 30.15 -7.10 44.96 29.89 -5.58 44.80 30.02 -6.34 2 0 8.12 -999 ? C2 EDO K 129 >SER^K 88 41.54 28.09 -7.89 40.18 27.03 -9.63 40.86 27.56 -8.76 2 0 13.31 -999 ? C2 EDO K 129 >ALA^K 89 39.84 25.72 -5.45 39.98 26.18 -4.00 39.91 25.95 -4.73 2 0 13.60 -999 ? C2 EDO K 129 >ARG^K 90 35.87 19.95 -7.37 34.18 17.57 -8.32 35.02 18.76 -7.85 2 0 21.96 -999 ? O2 EDO K 131 >ILE^K 91 34.89 23.46 -1.22 35.26 24.10 0.02 35.07 23.78 -0.60 3 0 17.37 -999 ? O2 EDO K 131 >ASP^K 92 32.53 18.32 -2.72 32.90 18.41 -4.77 32.72 18.37 -3.74 2 0 20.11 -999 ? O2 EDO K 131 >THR^K 93 29.94 19.75 0.83 30.01 21.52 2.08 29.97 20.63 1.45 2 0 16.97 -999 ? O2 EDO K 131 >ASP^K 94 27.65 15.69 2.18 28.27 14.53 0.49 27.96 15.11 1.34 2 0 22.36 -999 ? O2 EDO K 131 >ASP^K 95 24.68 16.62 5.38 24.42 14.71 4.49 24.55 15.67 4.94 2 0 22.70 -999 ? O2 EDO K 131 >ILE^K 96 25.96 22.31 4.17 26.67 23.34 3.64 26.31 22.83 3.91 3 0 15.43 -999 ? O2 EDO K 131 >SER.K 97 21.20 22.73 5.72 21.80 24.92 6.64 21.50 23.83 6.18 2 0 15.06 -999 ? O2 EDO K 131 >GLY.K 98 19.68 19.94 3.62 20.32 20.32 3.39 20.00 20.13 3.51 1 0 17.80 -999 ? O2 EDO K 131 >PHE^K 99 20.91 22.99 0.11 18.66 24.69 0.08 19.78 23.84 0.09 3 0 12.98 -999 ? O2 EDO K 131 >ARG^K 100 26.04 15.82 -3.18 27.65 13.78 -4.87 26.85 14.80 -4.03 2 0 22.60 -999 ? O2 EDO K 131 >PHE^K 101 26.08 23.54 -2.00 23.85 24.86 -1.09 24.96 24.20 -1.55 3 0 12.01 -999 ? O2 EDO K 131 >THR^K 102 30.08 21.72 -5.37 31.03 20.34 -6.71 30.55 21.03 -6.04 2 0 17.75 -999 ? O2 EDO K 131 >ASP^K 103 32.02 25.74 -3.73 30.28 25.82 -2.51 31.15 25.78 -3.12 2 0 12.47 -999 ? O2 EDO K 131 >PHE^K 104 34.28 25.17 -9.31 33.89 22.57 -10.25 34.08 23.87 -9.78 3 0 17.46 -999 ? O2 EDO K 131 >PHE^K 105 35.99 28.99 -3.47 34.01 28.24 -1.62 35.00 28.61 -2.55 3 0 14.09 -999 ? O2 EDO K 131 >ASN^K 106 38.64 32.94 -8.67 38.54 31.99 -10.57 38.59 32.47 -9.62 2 0 15.20 -999 ? C2 EDO K 129 >LEU^K 107 41.98 32.42 -3.89 41.01 30.75 -2.74 41.50 31.58 -3.32 3 0 12.05 -999 ? O1 EDO K 130 >LEU^K 108 43.88 37.37 -5.80 43.64 37.64 -7.98 43.76 37.50 -6.89 3 0 8.33 -999 ? O1 EDO K 130 >LYS^K 109 47.17 36.61 -2.75 52.70 34.49 -0.47 49.93 35.55 -1.61 2 0 -3.55 -999 ? O2 EDO K 130s >VAL^K 110 46.53 40.25 -1.80 44.69 41.36 -2.36 45.61 40.81 -2.08 3 0 4.88 -999 ? O1 EDO K 130 >GLU.K 111 48.50 44.48 0.03 48.51 46.38 0.96 48.51 45.43 0.49 2 0 -7.68 -999 ? O1 EDO K 130s >GLY.K 112 50.49 38.67 1.50 49.74 38.75 1.39 50.11 38.71 1.44 1 0 -3.36 -999 ? O2 EDO K 130s >LYS^K 113 47.11 37.08 2.31 48.53 35.70 7.35 47.82 36.39 4.83 2 0 9.55 -999 ? O2 EDO K 130 >TRP^K 114 47.35 32.46 0.19 47.46 32.43 -3.74 47.41 32.44 -1.77 3 0 7.66 -999 ? C1 EDO K 130 >THR^K 115 41.31 36.17 -0.40 40.85 38.28 -0.84 41.08 37.22 -0.62 2 0 9.72 -999 ? O1 EDO K 130 >VAL^K 116 38.30 34.84 -2.37 36.97 33.15 -1.97 37.63 34.00 -2.17 3 0 11.31 -999 ? O2 EDO K 128 >VAL^K 117 37.09 37.14 -5.20 38.90 37.68 -6.34 38.00 37.41 -5.77 3 0 11.29 -999 ? O2 EDO K 128 >SER^K 118 34.59 34.70 -6.75 33.76 33.75 -8.85 34.18 34.23 -7.80 2 0 11.67 -999 ? C1 EDO K 131 >LYS^K 119 32.53 31.77 -5.64 28.50 28.98 -1.50 30.52 30.37 -3.57 2 0 9.09 -999 ? O2 EDO K 131 >ILE^K 120 30.40 29.74 -9.49 31.09 29.74 -10.70 30.75 29.74 -10.10 3 0 11.82 -999 ? O2 EDO K 131 >TYR^K 121 26.43 27.72 -5.69 24.12 29.30 -5.83 25.28 28.51 -5.76 3 0 7.98 -999 ? O2 EDO K 131 >HIS^K 122 25.69 21.79 -9.76 24.12 20.60 -10.50 24.91 21.20 -10.13 3 0 16.14 -999 ? O2 EDO K 131 >THR^K 123 23.36 22.52 -6.12 21.96 23.80 -5.05 22.66 23.16 -5.59 2 0 12.18 -999 ? O2 EDO K 131 >HIS^K 124 25.43 17.88 -6.26 27.38 17.91 -7.02 26.41 17.89 -6.64 3 0 18.53 -999 ? O2 EDO K 131 >PRO.K 125 20.50 15.77 -8.24 20.26 17.35 -6.68 20.38 16.56 -7.46 3 0 19.84 -999 ? O2 EDO K 131 >THR.L 4 24.77 15.50 -21.23 24.84 17.48 -22.11 24.81 16.49 -21.67 2 0 26.12 -999 ? O2 EDO K 131 >THR~L 5 28.22 13.89 -20.87 28.51 12.71 -22.67 28.37 13.30 -21.77 2 0 26.09 -999 ? O2 EDO I 128 >TYR~L 6 33.81 15.69 -18.72 35.99 17.45 -18.52 34.90 16.57 -18.62 3 0 22.37 -999 ? C1 EDO I 130 >VAL~L 7 32.88 15.30 -23.23 33.92 13.91 -24.52 33.40 14.61 -23.88 3 0 21.92 -999 ? O2 EDO I 128 >GLN~L 8 28.05 15.59 -25.45 26.06 14.89 -25.25 27.05 15.24 -25.35 2 0 27.90 -999 ? O2 EDO I 128 >GLU~L 9 28.31 19.33 -20.06 26.78 20.69 -20.72 27.54 20.01 -20.39 2 0 23.16 -999 ? O2 EDO K 131 >TYR~L 10 36.29 19.22 -22.60 38.91 19.87 -23.20 37.60 19.54 -22.90 3 0 20.14 -999 ? C1 EDO I 130 >HIS~L 11 32.54 20.27 -28.45 32.73 20.84 -30.46 32.63 20.56 -29.46 3 0 23.58 -999 ? O2 EDO I 128 >ALA~L 12 30.82 23.43 -25.24 29.53 23.17 -24.50 30.17 23.30 -24.87 2 0 25.28 -999 ? O2 EDO K 131 >ILE~L 13 33.52 24.64 -21.33 33.53 24.65 -19.90 33.52 24.64 -20.62 3 0 22.92 -999 ? O2 EDO K 131 >VAL~L 14 36.11 25.05 -25.11 37.69 23.60 -25.59 36.90 24.32 -25.35 3 0 21.36 -999 ? O1 EDO I 130 >VAL~L 16 33.37 29.64 -25.25 31.86 30.02 -23.74 32.62 29.83 -24.50 3 0 23.73 -999 ? C1 EDO K 131 >LEU~L 17 37.66 28.70 -23.14 37.40 28.64 -20.95 37.53 28.67 -22.05 3 0 20.32 -999 ? O1 EDO I 130 >SER~L 18 38.28 29.69 -27.64 38.12 27.40 -28.38 38.20 28.55 -28.01 2 0 21.97 -999 ? O1 EDO I 130 >LYS~L 19 36.59 33.08 -28.16 30.40 32.10 -28.38 33.49 32.59 -28.27 2 0 25.95 -999 ? C1 EDO K 131 >TYR~L 20 39.59 34.41 -22.93 41.65 35.42 -21.35 40.62 34.92 -22.14 3 0 19.97 -999 ? O2 EDO K 129 >ASN~L 21 42.17 31.52 -26.82 42.42 30.39 -25.01 42.29 30.96 -25.91 2 0 17.58 -999 ? O1 EDO I 130 >GLU~L 22 40.08 34.49 -32.43 38.43 34.06 -33.69 39.25 34.27 -33.06 2 0 25.99 -999 ? C1 EDO I 129 >GLY~L 23 40.09 37.78 -28.86 40.78 37.33 -28.69 40.44 37.56 -28.77 1 0 24.71 -999 ? O1 EDO I 130 >GLY~L 24 43.30 37.97 -26.80 43.19 37.83 -27.62 43.25 37.90 -27.21 1 0 21.83 -999 ? O1 EDO I 130 >LYS~L 25 45.52 36.94 -29.71 48.05 33.75 -33.72 46.78 35.35 -31.72 2 0 18.99 -999 ? C1 EDO I 129 >LYS~L 26 43.82 39.33 -32.15 40.73 36.01 -36.39 42.28 37.67 -34.27 2 0 26.35 -999 ? C1 EDO I 129 >ALA~L 27 43.55 42.09 -29.49 44.71 43.06 -29.62 44.13 42.58 -29.56 2 0 26.00 -999 ? O1 EDO I 130 >ASP~L 28 39.56 41.90 -31.79 37.69 42.53 -32.53 38.63 42.21 -32.16 2 0 30.87 -999 ? O1 EDO I 130 >SER~L 29 37.50 42.53 -27.42 36.47 44.73 -27.05 36.99 43.63 -27.24 2 0 27.05 -999 ? O1 EDO K 131 >THR~L 30 34.47 42.13 -29.66 34.58 43.44 -31.41 34.53 42.79 -30.54 2 0 29.94 -999 ? C1 EDO K 131 >ILE~L 31 36.82 38.01 -30.98 37.65 37.47 -32.00 37.23 37.74 -31.49 3 0 27.95 -999 ? O1 EDO I 130 >MET?L 32 35.80 37.59 -26.58 38.66 39.49 -23.97 37.23 38.54 -25.27 2 0 24.11 -999 ? O2 EDO K 129 >ARG~L 33 30.74 42.81 -25.92 31.44 45.14 -23.98 31.09 43.98 -24.95 2 0 22.38 -999 ? O1 EDO K 131 >PRO.L 34 30.65 37.35 -28.32 30.84 37.38 -26.08 30.74 37.37 -27.20 3 0 24.23 -999 ? C1 EDO K 131 >ALA.L 35 32.23 34.54 -23.55 33.72 34.19 -23.60 32.98 34.36 -23.57 2 0 22.26 -999 ? C1 EDO K 131 >PHE^L 36 33.84 37.61 -20.36 36.53 36.88 -20.46 35.18 37.25 -20.41 3 0 19.90 -999 ? C1 EDO K 131 >SER^L 37 28.38 37.46 -18.55 26.99 37.40 -16.57 27.69 37.43 -17.56 2 0 13.01 -999 ? C1 EDO K 131 >SER^L 38 27.44 41.14 -18.21 25.04 41.09 -17.62 26.24 41.11 -17.91 2 0 14.04 -999 ? O1 EDO K 131 >GLN^L 39 25.57 39.74 -14.08 25.05 41.69 -13.56 25.31 40.72 -13.82 2 0 10.16 -999 ? O1 EDO K 131 >ALA^L 40 31.60 39.11 -14.93 32.24 38.51 -16.21 31.92 38.81 -15.57 2 0 14.77 -999 ? C1 EDO K 131 >THR^L 41 34.56 40.47 -12.98 34.04 40.06 -10.94 34.30 40.27 -11.96 2 0 12.37 -999 ? C1 EDO K 131 >ILE^L 42 38.83 40.94 -15.03 39.77 41.62 -15.85 39.30 41.28 -15.44 3 0 17.24 -999 ? O1 EDO K 130 >PHE^L 43 39.21 41.13 -9.12 37.07 42.78 -8.30 38.14 41.96 -8.71 3 0 12.56 -999 ? O2 EDO K 128 >GLY^L 44 44.62 40.21 -10.37 44.27 40.88 -9.96 44.45 40.54 -10.17 1 0 9.91 -999 ? O1 EDO K 130 >VAL^L 45 47.32 41.64 -8.09 47.95 40.63 -6.26 47.63 41.14 -7.17 3 0 5.76 -999 ? O1 EDO K 130 >ASP.L 46 48.90 46.11 -9.08 48.90 47.01 -7.18 48.90 46.56 -8.13 2 0 8.92 -999 ? O1 EDO K 130 >VAL.L 47 53.17 45.26 -8.62 54.60 46.82 -9.27 53.89 46.04 -8.95 3 0 9.76 -999 ? C1 EDO K 130 >ASP.L 48 51.81 47.96 -4.83 52.82 49.49 -5.83 52.32 48.73 -5.33 2 0 10.70 -999 ? O1 EDO K 130 >ASN.L 49 51.34 42.90 -3.02 53.23 42.01 -3.54 52.28 42.45 -3.28 2 0 -3.43 -999 ? C2 EDO K 130s >LYS.L 50 47.19 45.19 -4.29 48.98 50.76 -2.50 48.09 47.97 -3.39 2 0 11.16 -999 ? O1 EDO K 130 >LEU^L 51 42.64 43.70 -4.97 41.10 42.22 -5.46 41.87 42.96 -5.21 3 0 9.55 -999 ? O1 EDO K 130 >THR^L 52 43.40 45.39 -9.20 44.79 45.66 -10.82 44.10 45.52 -10.01 2 0 11.79 -999 ? O1 EDO K 130 >GLY^L 53 40.37 45.02 -11.47 40.17 45.50 -10.83 40.27 45.26 -11.15 1 0 14.57 -999 ? O1 EDO K 130 >GLY^L 54 36.59 45.02 -11.25 36.87 44.59 -11.93 36.73 44.80 -11.59 1 0 14.25 -999 ? O2 EDO K 128 >PRO^L 55 33.32 47.13 -13.10 34.42 45.21 -13.47 33.87 46.17 -13.29 3 0 15.42 -999 ? O1 EDO K 131 >ILE~L 56 34.07 41.66 -17.55 34.52 41.11 -17.99 34.30 41.38 -17.77 3 0 17.55 -999 ? C1 EDO K 131 >GLN~L 57 34.04 48.31 -20.20 33.71 47.68 -22.19 33.87 47.99 -21.19 2 0 22.51 -999 ? O1 EDO K 131 >GLY~L 58 38.22 46.78 -17.84 37.97 46.17 -18.31 38.10 46.48 -18.08 1 0 20.95 -999 ? O1 EDO K 130 >LEU~L 59 38.98 42.21 -19.41 39.93 40.41 -20.25 39.45 41.31 -19.83 3 0 20.70 -999 ? O1 EDO K 130 >PHE~L 60 35.63 43.69 -22.80 34.13 41.40 -22.18 34.88 42.54 -22.49 3 0 21.97 -999 ? C1 EDO K 131 >ASP~L 61 39.45 49.14 -21.21 37.52 50.04 -20.93 38.48 49.59 -21.07 2 0 24.41 -999 ? O1 EDO K 131 >VAL~L 62 43.04 46.75 -21.86 44.17 45.96 -20.13 43.61 46.36 -21.00 3 0 20.96 -999 ? O1 EDO K 130 >ILE~L 63 41.50 43.29 -25.01 42.29 42.08 -25.28 41.89 42.68 -25.15 3 0 24.54 -999 ? O1 EDO K 130 >ASP~L 64 39.93 47.69 -27.22 38.55 46.18 -27.82 39.24 46.94 -27.52 2 0 28.85 -999 ? O1 EDO K 130 >ASN~L 65 43.14 51.00 -25.05 41.09 51.49 -25.37 42.12 51.25 -25.21 2 0 27.51 -999 ? O1 EDO K 130 >VAL~L 66 46.85 48.34 -24.58 47.27 48.51 -22.42 47.06 48.42 -23.50 3 0 23.16 -999 ? O1 EDO K 130 >PHE.L 67 46.62 42.91 -24.82 47.02 41.46 -22.47 46.82 42.19 -23.64 3 0 21.42 -999 ? O2 EDO K 129 >HIS.L 68 50.54 46.07 -29.50 51.09 47.95 -28.74 50.81 47.01 -29.12 3 0 26.92 -999 ? O1 EDO I 130 >PRO.L 69 46.89 43.15 -33.62 47.85 42.20 -31.81 47.37 42.68 -32.72 3 0 25.66 -999 ? C1 EDO I 129 >SER.L 70 50.00 38.57 -31.09 50.22 39.54 -28.93 50.11 39.06 -30.01 2 0 20.70 -999 ? C1 EDO I 129 >PRO.L 71 51.76 37.75 -34.89 50.35 36.67 -33.53 51.05 37.21 -34.21 3 0 20.21 -999 ? C1 EDO I 129 >GLU.L 72 55.11 34.58 -33.13 54.64 33.05 -34.54 54.87 33.82 -33.83 2 0 15.98 -999 ? C1 EDO I 129 >ALA.L 73 50.62 33.79 -28.83 49.43 34.67 -28.48 50.02 34.23 -28.65 2 0 16.94 -999 ? C1 EDO I 129 >ALA^L 75 47.29 29.14 -25.26 45.93 29.69 -25.47 46.61 29.42 -25.36 2 0 14.86 -999 ? O1 EDO I 130 >ALA^L 76 46.78 25.86 -23.40 48.00 25.18 -22.72 47.39 25.52 -23.06 2 0 10.39 -999 ? O1 EDO I 130 >ILE^L 77 42.05 24.83 -22.43 40.74 25.31 -22.77 41.40 25.07 -22.60 3 0 16.22 -999 ? O1 EDO I 130 >ALA^L 78 45.22 23.17 -18.97 46.02 23.92 -17.95 45.62 23.54 -18.46 2 0 10.37 -999 ? C1 EDO I 130 >ARG^L 79 41.64 21.70 -13.17 40.84 24.65 -12.57 41.24 23.17 -12.87 2 0 14.19 -999 ? O2 EDO K 129 >ILE^L 80 37.53 22.26 -18.47 36.80 23.00 -19.49 37.17 22.63 -18.98 3 0 19.23 -999 ? C1 EDO I 130 >ASP^L 81 36.71 21.15 -12.64 38.35 20.39 -11.74 37.53 20.77 -12.19 2 0 17.81 -999 ? C2 EDO K 129 >ILE^L 82 32.35 19.95 -16.21 32.07 20.15 -17.59 32.21 20.05 -16.90 3 0 22.61 -999 ? O2 EDO K 131 >VAL^L 83 30.09 19.62 -12.16 30.68 19.03 -10.09 30.38 19.33 -11.13 3 0 19.60 -999 ? O2 EDO K 131 >GLY.L 84 26.48 20.11 -13.37 27.18 20.51 -13.60 26.83 20.31 -13.49 1 0 18.84 -999 ? O2 EDO K 131 >THR.L 85 25.88 23.81 -14.14 24.06 24.14 -13.04 24.97 23.97 -13.59 2 0 15.06 -999 ? O2 EDO K 131 >ALA^L 86 29.28 24.95 -12.73 29.37 24.92 -11.21 29.33 24.93 -11.97 2 0 14.76 -999 ? O2 EDO K 131 >ALA^L 87 32.79 24.68 -14.17 32.77 24.42 -15.72 32.78 24.55 -14.95 2 0 19.31 -999 ? O2 EDO K 131 >SER^L 88 36.32 25.91 -13.45 38.22 26.29 -11.97 37.27 26.10 -12.71 2 0 15.94 -999 ? C2 EDO K 129 >ALA^L 89 39.03 26.29 -16.06 38.45 26.63 -17.51 38.74 26.46 -16.78 2 0 17.98 -999 ? O2 EDO K 129 >ARG^L 90 46.10 25.85 -14.75 49.04 25.73 -13.94 47.57 25.79 -14.34 2 0 7.82 -999 ? C1 EDO I 130 >ILE^L 91 43.47 29.58 -20.25 42.70 29.77 -21.51 43.08 29.67 -20.88 3 0 15.26 -999 ? O1 EDO I 130 >ASP^L 92 48.99 28.30 -19.31 48.80 27.70 -17.29 48.90 28.00 -18.30 2 0 8.77 -999 ? O1 EDO I 130 >THR^L 93 49.12 31.71 -22.45 47.59 32.94 -23.43 48.36 32.33 -22.94 2 0 14.42 -999 ? O1 EDO I 130 >ASP^L 94 53.57 31.31 -24.24 54.38 29.99 -22.77 53.97 30.65 -23.50 2 0 8.82 -999 ? O1 EDO I 130 >ASP^L 95 54.44 34.77 -26.90 56.23 33.90 -26.26 55.33 34.33 -26.58 2 0 12.95 -999 ? C1 EDO I 129 >ILE^L 96 49.19 36.96 -25.07 47.93 36.99 -24.41 48.56 36.98 -24.74 3 0 17.35 -999 ? O1 EDO I 130 >SER.L 97 51.42 41.25 -26.13 49.27 42.24 -26.73 50.35 41.75 -26.43 2 0 22.20 -999 ? O1 EDO I 130 >GLY.L 98 54.77 40.66 -24.36 54.10 40.28 -24.12 54.44 40.47 -24.24 1 0 18.61 -999 ? O1 EDO I 130 >PHE^L 99 51.80 40.77 -20.67 51.72 43.53 -20.18 51.76 42.15 -20.42 3 0 17.94 -999 ? C1 EDO K 130 >ARG^L 100 54.86 32.02 -19.68 56.79 31.18 -17.45 55.82 31.60 -18.56 2 0 7.55 -999 ? O1 EDO I 130 >PHE^L 101 48.56 36.66 -18.86 48.80 39.38 -19.36 48.68 38.02 -19.11 3 0 15.00 -999 ? O2 EDO K 129 >THR^L 102 47.89 31.89 -16.06 48.56 30.13 -14.98 48.22 31.01 -15.52 2 0 8.60 -999 ? O2 EDO K 129 >ASP^L 103 43.45 32.89 -17.34 44.26 34.58 -18.37 43.85 33.74 -17.85 2 0 14.90 -999 ? O2 EDO K 129 >PHE^L 104 43.03 29.93 -11.99 45.37 28.52 -11.28 44.20 29.23 -11.63 3 0 9.99 -999 ? O2 EDO K 129 >PHE^L 105 38.39 31.55 -17.31 40.03 32.98 -19.07 39.21 32.26 -18.19 3 0 17.82 -999 ? O2 EDO K 129 >ASN^L 106 34.13 30.92 -11.78 35.10 30.14 -10.08 34.61 30.53 -10.93 2 0 14.87 -999 ? C1 EDO K 131 >LEU^L 107 32.22 28.79 -16.80 33.97 28.74 -18.06 33.09 28.76 -17.43 3 0 18.52 -999 ? O2 EDO K 131 >LEU^L 108 27.28 29.66 -14.32 27.35 29.73 -12.10 27.31 29.70 -13.21 3 0 12.18 -999 ? O2 EDO K 131 >LYS^L 109 25.67 27.08 -17.67 24.06 21.82 -20.72 24.87 24.45 -19.19 2 0 22.13 -999 ? O2 EDO K 131 >VAL^L 110 23.04 29.85 -17.95 23.39 31.89 -17.12 23.22 30.87 -17.53 3 0 14.76 -999 ? O2 EDO K 131 >GLU.L 111 18.46 31.12 -19.40 17.74 33.03 -19.83 18.10 32.07 -19.61 2 0 17.21 -999 ? C2 EDO K 131 >GLY.L 112 21.71 26.26 -21.70 22.11 26.92 -21.56 21.91 26.59 -21.63 1 0 20.49 -999 ? O2 EDO K 131 >TRP^L 114 28.64 24.98 -21.20 29.01 24.30 -17.36 28.82 24.64 -19.28 3 0 20.12 -999 ? O2 EDO K 131 >THR^L 115 29.35 31.84 -19.60 27.99 33.37 -18.82 28.67 32.60 -19.21 2 0 16.09 -999 ? C1 EDO K 131 >VAL^L 116 32.29 33.20 -17.68 34.37 33.37 -18.22 33.33 33.28 -17.95 3 0 17.46 -999 ? C1 EDO K 131 >VAL^L 117 31.40 35.03 -14.44 29.96 33.79 -13.43 30.68 34.41 -13.94 3 0 12.53 -999 ? C1 EDO K 131 >SER^L 118 34.92 35.47 -13.05 36.31 35.13 -11.04 35.62 35.30 -12.04 2 0 14.45 -999 ? C1 EDO K 131 >LYS^L 119 38.44 35.61 -14.40 42.56 37.83 -18.53 40.50 36.72 -16.46 2 0 17.48 -999 ? O2 EDO K 129 >ILE^L 120 41.67 35.51 -10.84 41.39 34.81 -9.68 41.53 35.16 -10.26 3 0 12.71 -999 ? O1 EDO K 130 >TYR^L 121 45.33 38.23 -14.57 45.41 40.94 -13.92 45.37 39.58 -14.24 3 0 12.94 -999 ? O1 EDO K 130 >HIS^L 122 50.79 34.78 -11.36 52.75 35.22 -10.75 51.77 35.00 -11.06 3 0 6.81 -999 ? O2 EDO K 129 >THR^L 123 51.29 37.49 -14.73 51.09 39.48 -15.53 51.19 38.49 -15.13 2 0 12.77 -999 ? C1 EDO K 130 >HIS.L 124 53.74 33.21 -15.40 52.53 31.61 -14.78 53.14 32.41 -15.09 3 0 7.79 -999 ? O2 EDO K 129 >PRO.L 125 58.70 35.75 -13.57 57.42 36.90 -15.04 58.06 36.33 -14.31 3 0 10.57 -999 ? O2 EDO K 129