REMARK SOURCE hebe.pdb HEADER TRANSFERASE 18-APR-08 3CVO COMPND METHYLTRANSFERASE-LIKE PROTEIN OF UNKNOWN FUNCTION; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SILICIBACTER POMEROYI DSS-3; SOURCE 3 ORGANISM_TAXID: 246200; SOURCE 4 STRAIN: DSS-3 / DSM 15171; SOURCE 5 ATCC: 700808; SOURCE 6 GENE: YP_167254.1, SPO2022; 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 9 8 HET MSE A 15 8 HET MSE A 25 8 HET MSE A 65 8 HET MSE A 66 8 HET MSE A 172 8 HET MSE A 192 8 HET MSE A 198 16 HET MSE B 9 8 HET MSE B 15 8 HET MSE B 25 8 HET MSE B 65 8 HET MSE B 66 8 HET MSE B 172 8 HET MSE B 192 8 HET MSE B 198 16 HET MSE C 9 8 HET MSE C 15 8 HET MSE C 25 8 HET MSE C 65 8 HET MSE C 66 8 HET MSE C 172 8 HET MSE C 192 8 HET MSE C 198 16 HET MSE D 9 8 HET MSE D 15 8 HET MSE D 25 8 HET MSE D 65 8 HET MSE D 66 8 HET MSE D 172 8 HET MSE D 192 8 HET MSE D 198 16 HET SO4 A 202 5 HET SO4 B 202 5 HET EDO A 203 4 HET EDO A 204 4 HET EDO A 205 4 HET EDO A 206 4 HET EDO A 207 4 HET EDO A 208 4 HET EDO A 209 4 HET EDO A 210 4 HET EDO A 211 4 HET EDO A 212 4 HET EDO A 213 4 HET EDO A 214 4 HET EDO B 203 4 HET EDO B 204 4 HET EDO B 205 4 HET EDO B 206 4 HET EDO B 207 4 HET EDO B 208 4 HET EDO B 209 4 HET EDO B 210 4 HET EDO B 211 4 HET EDO B 212 4 HET EDO B 213 4 HET EDO B 214 4 HET EDO B 215 4 HET EDO C 202 4 HET EDO C 203 4 HET EDO C 204 4 HET EDO C 205 4 HET EDO C 206 4 HET EDO C 207 4 HET EDO C 208 4 HET EDO D 202 4 HET EDO D 203 4 HET EDO D 204 4 HET EDO D 205 4 HET EDO D 206 4 HET EDO D 207 4 HET EDO D 208 4 HET EDO D 209 4 HET EDO D 210 4 HET EDO D 211 4 HET EDO D 212 4 HET EDO D 213 4 HET EDO D 214 4 HET EDO D 215 4 HET PG4 D 216 13 HET GOL C 209 6 SITE 1 AC1 3 ARG A 60 ALA A 61 ARG A 64 SITE 1 AC2 4 ARG B 120 HIS B 121 ARG B 158 TRP B 159 SITE 1 AC3 5 ALA D 46 GLU D 47 TRP D 69 ASN D 73 SITE 1 AC4 5 PRO A 90 SER A 99 ALA A 101 GLU D 21 SITE 1 AC5 4 ARG B 10 PRO B 11 GLU B 12 GLY B 40 SITE 1 AC6 6 ALA A 101 ARG A 104 ASP B 100 PRO D 17 SITE 1 AC7 3 HIS B 96 PRO B 146 PRO B 201 SITE 1 AC8 3 THR B 148 PHE B 179 GLN B 180 SITE 1 AC9 2 LYS C 102 SER C 105 SITE 1 BC1 4 ARG A 104 ARG B 196 THR B 199 SER B 200 SITE 1 BC2 3 THR A 54 PHE A 119 ARG A 120 SITE 1 BC3 3 THR D 54 PHE D 119 ARG D 120 SITE 1 BC4 2 ARG A 60 ARG A 64 SITE 1 BC5 3 ARG D 10 PRO D 11 GLY D 40 SITE 1 BC6 2 ARG A 120 HIS A 121 SITE 1 BC7 2 SER C 99 ASP C 100 SITE 1 BC8 3 PRO C 188 SER D 142 THR D 144 SITE 1 BC9 4 THR C 54 THR C 116 PHE C 119 ARG C 120 SITE 1 CC1 5 HIS B 52 THR B 54 ASN B 82 GLU B 117 SITE 1 CC2 3 LEU D 70 PRO D 75 GLU D 80 SITE 1 CC3 6 GLU D 31 GLY D 50 LYS D 51 HIS D 52 SITE 1 CC4 1 ARG A 104 SITE 1 CC5 2 ARG B 64 LYS B 67 SITE 1 CC6 1 ARG B 64 SITE 1 CC7 3 ARG A 64 LYS A 67 TRP A 85 SITE 1 CC8 3 TRP A 85 THR A 86 ASP A 87 SITE 1 CC9 2 ARG D 60 ARG D 64 SITE 1 DC1 2 ARG D 64 LYS D 67 SITE 1 DC2 2 ARG C 60 ARG C 64 SITE 1 DC3 4 ARG C 60 ARG C 64 LYS C 67 TRP C 85 SITE 1 DC4 2 ARG A 196 ARG B 115 SITE 1 DC5 6 PHE D 166 LEU D 167 GLY D 168 GLN D 180 SITE 1 DC6 4 HIS A 52 THR A 54 ASN A 82 GLY A 118 SITE 1 DC7 4 TRP D 114 ARG D 115 THR D 116 PHE D 119 SITE 1 DC8 3 TRP B 85 THR B 86 ASP B 87 SITE 1 DC9 2 TRP B 85 ALA B 112 SITE 1 EC1 3 SER A 99 ALA D 20 GLU D 21 SITE 1 EC2 3 ARG C 10 PRO C 11 LEU C 13 SITE 1 EC3 4 HIS B 121 ARG B 145 ARG B 157 TRP B 159 SITE 1 EC4 2 ASP B 59 GLY B 95 SITE 1 EC5 1 ASP A 59 SITE 1 EC6 4 THR B 54 THR B 116 PHE B 119 ARG B 120 SITE 1 EC7 2 ARG C 60 ARG C 64 SITE 1 EC8 4 ALA A 71 ARG D 60 ALA D 61 ARG D 64 SITE 1 EC9 2 ARG B 60 ARG B 64 SITE 1 FC1 2 ARG D 120 HIS D 121 SITE 1 FC2 5 ARG A 10 PRO A 11 LEU A 13 ARG A 24 SITE 1 FC3 3 ARG B 115 ARG B 157 ARG B 175 SITE 1 FC4 4 GLU B 29 ASP B 123 THR B 148 GLN B 180 SITE 1 FC5 6 SER B 58 ARG B 60 TRP B 85 GLY B 89 >MET?A 9 87.24 39.56 62.95 86.02 35.98 61.60 86.63 37.77 62.28 2 0 10.18 -999 ? O1 EDO A 213 >ARG.A 10 86.26 45.96 64.85 85.01 47.00 67.40 85.64 46.48 66.13 2 0 -4.09 -999 ? O2 EDO A 214s >PRO.A 11 80.71 42.73 62.68 82.63 43.55 61.84 81.67 43.14 62.26 3 0 -5.09 -999 ? O2 EDO A 214s >LEU.A 13 81.96 51.32 60.02 80.51 52.88 60.32 81.24 52.10 60.17 3 0 -4.79 -999 ? C2 EDO A 214s >THR.A 14 82.42 50.79 55.23 81.86 48.92 54.36 82.14 49.85 54.79 2 0 8.80 -999 ? C2 EDO A 214 >MET?A 15 81.64 54.50 55.36 78.21 55.57 57.61 79.92 55.04 56.48 2 0 9.84 -999 ? C1 EDO A 214 >PRO~A 16 83.29 57.27 52.40 83.69 56.63 54.51 83.49 56.95 53.46 3 0 12.47 -999 ? C2 EDO A 214 >PRO~A 17 87.54 59.13 56.41 85.35 58.94 56.81 86.44 59.03 56.61 3 0 12.02 -999 ? O1 EDO A 214 >ALA~A 18 82.99 62.23 57.21 82.82 63.12 55.98 82.90 62.67 56.60 2 0 15.40 -999 ? O1 EDO A 214 >GLU~A 19 79.47 59.49 54.35 81.07 59.99 53.13 80.27 59.74 53.74 2 0 15.02 -999 ? C2 EDO A 214 >ALA~A 20 81.23 57.60 59.66 82.51 56.76 59.66 81.87 57.18 59.66 2 0 8.20 -999 ? O1 EDO A 214 >GLU~A 21 82.62 62.72 62.99 83.54 64.57 62.52 83.08 63.64 62.76 2 0 14.26 -999 ? O1 EDO A 214 >ALA~A 22 78.10 61.75 61.21 77.57 62.09 59.83 77.84 61.92 60.52 2 0 14.02 -999 ? C1 EDO A 214 >LEU~A 23 77.26 56.98 61.35 76.44 54.97 61.50 76.85 55.97 61.43 3 0 9.02 -999 ? C1 EDO A 214 >ARG~A 24 82.51 57.07 65.09 83.66 54.24 65.09 83.09 55.65 65.09 2 0 -3.79 -999 ? O1 EDO A 214s >MET?A 25 77.45 61.51 66.39 79.57 64.89 64.79 78.51 63.20 65.59 2 0 15.08 -999 ? O1 EDO A 214 >ALA~A 26 73.83 60.58 65.54 73.31 60.10 64.15 73.57 60.34 64.84 2 0 14.05 -999 ? C1 EDO A 214 >TYR~A 27 74.48 55.33 65.93 73.42 53.74 63.88 73.95 54.54 64.90 3 0 10.15 -999 ? C1 EDO A 214 >GLU~A 28 78.24 59.12 70.22 80.12 60.11 70.12 79.18 59.61 70.17 2 0 11.72 -999 ? O1 EDO A 214 >ALA~A 30 70.11 58.82 70.17 70.01 57.92 68.92 70.06 58.37 69.55 2 0 9.92 -999 ? O1 EDO A 205 >GLU.A 31 67.62 55.90 75.03 66.72 56.78 76.74 67.17 56.34 75.88 2 0 6.91 -999 ? O2 EDO A 207 >VAL^A 32 66.82 54.27 70.49 64.77 53.51 71.03 65.79 53.89 70.76 3 0 5.13 -999 ? O1 EDO A 205 >ILE^A 33 69.95 52.99 67.22 71.29 53.26 67.14 70.62 53.13 67.18 3 0 7.91 -999 ? O1 EDO A 205 >LEU^A 34 65.22 51.72 64.01 63.97 50.47 62.71 64.59 51.09 63.36 3 0 4.34 -999 ? C1 EDO A 205 >GLU^A 35 71.03 50.24 62.80 72.96 49.38 62.89 72.00 49.81 62.84 2 0 10.04 -999 ? C1 EDO A 214 >TYR^A 36 65.56 49.52 57.69 62.94 50.18 58.42 64.25 49.85 58.06 3 0 9.01 -999 ? C1 EDO A 205 >GLY.A 37 70.96 46.53 57.35 70.67 46.67 58.16 70.82 46.60 57.76 1 0 12.16 -999 ? C2 EDO A 213 >SER.A 38 73.31 45.15 59.97 73.20 42.72 60.19 73.26 43.94 60.08 2 0 9.68 -999 ? O1 EDO A 213 >GLY~A 39 77.09 45.33 60.21 76.78 45.85 60.75 76.94 45.59 60.48 1 0 7.69 -999 ? O2 EDO A 214 >GLY~A 40 79.71 47.90 61.10 78.89 47.95 61.17 79.30 47.92 61.13 1 0 -4.32 -999 ? C2 EDO A 214s >SER~A 41 77.11 50.46 62.12 75.11 49.88 60.81 76.11 50.17 61.46 2 0 8.46 -999 ? C1 EDO A 214 >THR~A 42 75.61 48.02 64.55 74.35 46.31 64.11 74.98 47.17 64.33 2 0 9.27 -999 ? C1 EDO A 214 >VAL~A 43 79.00 47.54 66.26 80.80 46.31 65.85 79.90 46.93 66.06 3 0 4.47 -999 ? O2 EDO A 214 >VAL~A 44 79.28 51.32 66.51 79.71 53.04 65.23 79.49 52.18 65.87 3 0 4.51 -999 ? C1 EDO A 214 >ALA~A 45 75.93 51.34 68.34 74.59 50.99 67.70 75.26 51.16 68.02 2 0 9.15 -999 ? C1 EDO A 214 >ALA~A 46 76.74 48.31 70.50 77.17 46.95 69.92 76.96 47.63 70.21 2 0 8.69 -999 ? C1 EDO A 214 >GLU~A 47 81.56 48.82 70.39 83.39 48.94 69.35 82.47 48.88 69.87 2 0 4.94 -999 ? O1 EDO A 214 >LEU.A 48 77.26 53.94 72.26 78.18 55.41 70.92 77.72 54.68 71.59 3 0 10.25 -999 ? O1 EDO A 214 >PRO.A 49 77.83 54.36 77.34 76.74 52.90 76.03 77.29 53.63 76.68 3 0 14.11 -999 ? O1 EDO A 214 >GLY.A 50 72.63 53.03 77.28 72.88 52.84 76.55 72.75 52.93 76.92 1 0 12.38 -999 ? O2 EDO A 207 >LYS.A 51 71.30 52.29 73.77 73.73 57.05 72.86 72.52 54.67 73.32 2 0 13.41 -999 ? O1 EDO A 205 >HIS^A 52 66.04 49.38 72.55 64.76 47.77 72.16 65.40 48.58 72.35 3 0 -3.95 -999 ? O1 EDO A 212s >VAL^A 53 69.29 48.87 69.04 71.36 49.25 68.52 70.33 49.06 68.78 3 0 7.26 -999 ? O2 EDO A 212 >THR^A 54 67.27 46.97 66.49 65.14 46.54 66.87 66.20 46.75 66.68 2 0 2.89 -999 ? O2 EDO A 212s >SER^A 55 68.72 45.93 63.17 70.89 46.52 64.11 69.80 46.22 63.64 2 0 8.52 -999 ? O2 EDO A 212 >VAL^A 56 66.58 44.48 60.40 64.55 45.16 59.70 65.56 44.82 60.05 3 0 8.95 -999 ? C2 EDO A 205 >GLU^A 57 70.71 40.66 58.41 71.58 41.86 56.90 71.14 41.26 57.66 2 0 8.15 -999 ? C2 EDO A 213 >SER.A 58 67.51 39.98 55.17 68.45 41.23 53.28 67.98 40.60 54.22 2 0 9.41 -999 ? O2 EDO A 213 >ASP~A 59 71.98 38.25 54.60 73.47 36.78 54.16 72.72 37.52 54.38 2 0 -2.74 -999 ? O2 EDO A 213s >ARG~A 60 67.70 31.91 58.35 67.29 29.20 57.02 67.50 30.55 57.69 2 0 3.80 -999 ? O4 SO4 A 202s >ALA~A 61 73.63 33.69 57.51 74.33 32.98 56.33 73.98 33.34 56.92 2 0 -3.66 -999 ? O3 SO4 A 202s >TRP~A 62 74.82 40.76 57.83 78.72 40.74 58.25 76.77 40.75 58.04 3 0 5.40 -999 ? O1 EDO A 213 >ALA~A 63 72.38 37.73 60.88 70.81 37.61 60.84 71.60 37.67 60.86 2 0 4.32 -999 ? O1 EDO A 209 >ARG~A 64 74.13 30.76 61.97 72.37 30.15 59.50 73.25 30.45 60.74 2 0 -3.06 -999 ? O4 SO4 A 202s >MET?A 65 77.27 35.89 62.21 79.41 35.32 58.52 78.34 35.61 60.37 2 0 4.40 -999 ? O1 EDO A 213 >MET?A 66 76.28 39.26 63.75 77.25 41.95 62.01 76.76 40.61 62.88 2 0 8.67 -999 ? O2 EDO A 214 >LYS~A 67 74.62 37.42 66.64 68.65 35.87 65.30 71.64 36.65 65.97 2 0 -3.20 -999 ? C1 EDO A 209s >ALA~A 68 77.68 35.28 67.15 78.26 34.29 66.11 77.97 34.78 66.63 2 0 8.52 -999 ? O1 EDO A 209 >TRP~A 69 82.43 39.88 65.78 81.89 43.23 67.69 82.16 41.55 66.73 3 0 6.99 -999 ? O2 EDO A 214 >LEU~A 70 76.31 40.67 69.41 75.88 42.58 68.48 76.09 41.62 68.94 3 0 10.98 -999 ? O2 EDO A 214 >ALA~A 71 77.72 37.06 71.95 77.17 35.67 71.58 77.45 36.36 71.77 2 0 -11.23 -999 ? O1 EDO A 209s >ALA~A 72 81.52 36.99 71.77 82.30 36.61 70.53 81.91 36.80 71.15 2 0 13.09 -999 ? O2 EDO A 214 >ASN~A 73 82.17 41.39 70.90 83.83 40.37 70.14 83.00 40.88 70.52 2 0 9.77 -999 ? O2 EDO A 214 >PRO.A 74 79.63 40.18 75.83 79.47 41.65 74.14 79.55 40.91 74.99 3 0 13.81 -999 ? O2 EDO A 214 >PRO.A 75 75.46 44.27 73.24 77.47 44.69 74.11 76.47 44.48 73.67 3 0 12.71 -999 ? O2 EDO A 214 >ALA.A 76 78.41 48.25 76.40 78.70 49.68 75.93 78.55 48.97 76.16 2 0 12.46 -999 ? O1 EDO A 214 >GLY.A 78 72.97 49.24 79.52 73.38 48.93 78.90 73.18 49.08 79.21 1 0 14.11 -999 ? O2 EDO A 212 >THR.A 79 72.86 48.55 75.80 73.99 49.57 74.27 73.43 49.06 75.04 2 0 11.85 -999 ? O2 EDO A 212 >GLU^A 80 68.48 44.62 74.12 66.46 44.59 74.81 67.47 44.60 74.46 2 0 6.04 -999 ? O2 EDO A 212 >VAL^A 81 71.11 44.86 70.49 72.95 45.38 69.46 72.03 45.12 69.97 3 0 7.85 -999 ? O2 EDO A 212 >ASN^A 82 66.95 43.20 68.93 65.60 41.64 68.36 66.27 42.42 68.65 2 0 -3.87 -999 ? O2 EDO A 212s >ILE^A 83 70.62 40.64 64.90 71.44 41.51 64.11 71.03 41.07 64.51 3 0 7.51 -999 ? O1 EDO A 209 >VAL^A 84 66.10 40.68 63.41 64.22 41.62 64.17 65.16 41.15 63.79 3 0 6.83 -999 ? O2 EDO A 212 >TRP^A 85 67.08 36.79 57.90 64.71 33.71 57.77 65.90 35.25 57.83 3 0 5.14 -999 ? O1 EDO A 210s >THR.A 86 63.41 39.27 58.23 62.54 41.20 58.63 62.98 40.24 58.43 2 0 -4.29 -999 ? O2 EDO A 210s >ASP.A 87 61.81 35.34 56.13 61.90 33.72 54.80 61.85 34.53 55.47 2 0 -5.10 -999 ? C1 EDO A 210s >ILE.A 88 62.83 39.23 51.71 63.58 40.45 51.94 63.20 39.84 51.83 3 0 7.85 -999 ? O2 EDO A 210 >GLY.A 89 63.35 34.49 50.69 63.89 34.97 51.08 63.62 34.73 50.89 1 0 5.20 -999 ? C1 EDO A 203 >PRO.A 90 65.75 31.05 49.42 66.07 33.24 49.92 65.91 32.15 49.67 3 0 -3.71 -999 ? C1 EDO A 203s >THR.A 91 69.36 35.86 49.38 69.11 36.78 51.35 69.24 36.32 50.36 2 0 7.35 -999 ? O2 EDO A 213 >GLY~A 92 72.63 36.45 47.57 72.33 37.08 48.08 72.48 36.76 47.82 1 0 7.16 -999 ? C2 EDO A 213 >ASP~A 93 75.71 40.03 46.42 77.19 38.68 45.74 76.45 39.35 46.08 2 0 8.02 -999 ? C2 EDO A 213 >TRP~A 94 75.95 43.85 47.15 78.51 44.32 50.10 77.23 44.09 48.62 3 0 8.97 -999 ? C2 EDO A 213 >GLY~A 95 71.02 40.45 51.25 71.07 40.71 50.46 71.04 40.58 50.85 1 0 7.24 -999 ? C2 EDO A 213 >HIS~A 96 69.11 42.06 45.84 67.74 43.06 44.59 68.43 42.56 45.21 3 0 10.91 -999 ? O2 EDO D 205 >PRO.A 97 65.01 39.80 47.40 66.98 38.67 47.31 66.00 39.24 47.36 3 0 7.44 -999 ? O1 EDO A 203 >VAL.A 98 67.81 35.68 44.44 68.77 33.93 45.35 68.29 34.81 44.89 3 0 4.36 -999 ? O1 EDO D 205 >SER.A 99 64.21 35.33 43.18 63.06 33.44 44.12 63.63 34.38 43.65 2 0 2.51 -999 ? O1 EDO A 203s >ASP.A 100 60.08 37.64 42.81 61.22 39.32 42.25 60.65 38.48 42.53 2 0 8.60 -999 ? O1 EDO A 203 >ALA.A 101 59.43 33.61 45.49 60.23 32.44 46.03 59.83 33.02 45.76 2 0 3.60 -999 ? C2 EDO A 203s >LYS~A 102 58.65 35.64 48.64 57.88 33.48 53.32 58.26 34.56 50.98 2 0 6.90 -999 ? C1 EDO A 210 >TRP~A 103 55.67 37.06 44.30 52.29 38.99 44.88 53.98 38.03 44.59 3 0 5.59 -999 ? O1 EDO A 204 >ARG~A 104 51.63 35.97 47.95 52.14 34.48 45.35 51.88 35.23 46.65 2 0 -3.14 -999 ? O1 EDO A 204s >SER~A 105 56.52 39.04 52.17 56.44 36.77 52.97 56.48 37.91 52.57 2 0 6.96 -999 ? O2 EDO A 210 >TYR~A 106 59.54 41.49 48.50 61.05 39.90 46.78 60.29 40.70 47.64 3 0 9.92 -999 ? O1 EDO A 203 >PRO~A 107 54.90 44.13 51.21 56.83 44.08 52.33 55.86 44.11 51.77 3 0 7.40 -999 ? O1 EDO B 205 >ASP~A 108 57.86 41.49 56.24 56.10 40.31 56.18 56.98 40.90 56.21 2 0 5.59 -999 ? O2 EDO A 210 >TYR~A 109 63.51 44.43 54.55 66.13 45.22 54.88 64.82 44.82 54.71 3 0 9.47 -999 ? O2 EDO A 210 >PRO~A 110 59.35 47.78 53.51 60.47 47.28 55.41 59.91 47.53 54.46 3 0 10.84 -999 ? O2 EDO A 210 >LEU~A 111 55.92 47.54 56.98 54.94 49.11 55.78 55.43 48.32 56.38 3 0 12.01 -999 ? O2 EDO A 210 >ALA~A 112 57.19 44.79 60.27 57.68 43.31 60.04 57.43 44.05 60.16 2 0 6.42 -999 ? O2 EDO A 210 >VAL~A 113 59.62 46.33 62.79 61.51 47.53 62.68 60.57 46.93 62.73 3 0 5.12 -999 ? C2 EDO A 205 >TRP~A 114 58.60 50.59 60.63 59.61 53.80 62.65 59.11 52.19 61.64 3 0 6.26 -999 ? C1 EDO A 205 >ARG~A 115 52.60 47.98 63.13 50.46 49.26 64.93 51.53 48.62 64.03 2 0 11.48 -999 ? O1 EDO A 207 >THR~A 116 57.15 44.65 66.77 59.27 44.77 67.37 58.21 44.71 67.07 2 0 3.96 -999 ? C2 EDO A 212 >GLY.A 118 58.56 45.46 72.47 58.21 45.79 71.79 58.39 45.63 72.13 1 0 -4.13 -999 ? C1 EDO A 212s >PHE.A 119 57.48 50.12 68.38 57.93 52.51 66.97 57.70 51.31 67.68 3 0 -4.59 -999 ? C1 EDO A 205s >ARG.A 120 61.59 50.75 74.34 64.21 51.85 75.55 62.90 51.30 74.95 2 0 4.50 -999 ? O2 EDO A 207s >HIS.A 121 58.98 56.79 68.20 58.78 58.07 66.55 58.88 57.43 67.38 3 0 -6.12 -999 ? O1 EDO A 207s >PRO.A 122 62.54 54.25 65.54 62.74 55.23 67.55 62.64 54.74 66.54 3 0 3.84 -999 ? O1 EDO A 205 >ASP.A 123 66.31 58.84 68.91 65.29 58.66 70.75 65.80 58.75 69.83 2 0 7.32 -999 ? O2 EDO A 207 >VAL^A 124 67.56 57.74 64.73 69.75 57.40 64.56 68.66 57.57 64.65 3 0 9.10 -999 ? O1 EDO A 205 >VAL^A 125 66.93 55.49 61.74 64.91 54.89 61.02 65.92 55.19 61.38 3 0 7.97 -999 ? O1 EDO A 205 >LEU^A 126 70.90 53.55 60.01 72.80 53.37 58.87 71.85 53.46 59.44 3 0 12.23 -999 ? O1 EDO A 205 >VAL^A 127 68.67 53.14 55.95 66.90 53.76 54.78 67.79 53.45 55.37 3 0 13.17 -999 ? C1 EDO A 205 >ASP.A 128 72.68 51.15 55.82 74.59 50.78 55.04 73.63 50.96 55.43 2 0 12.05 -999 ? C2 EDO A 214 >GLY.A 129 69.97 47.62 53.62 69.71 48.28 53.16 69.84 47.95 53.39 1 0 12.96 -999 ? C2 EDO A 213 >ARG.A 130 68.73 44.21 49.48 70.26 46.49 48.17 69.49 45.35 48.82 2 0 12.98 -999 ? C2 EDO A 213 >PHE~A 131 62.71 46.36 50.36 62.16 43.69 49.67 62.43 45.02 50.01 3 0 11.68 -999 ? O2 EDO A 210 >ARG~A 132 69.75 51.86 50.59 72.67 51.09 51.18 71.21 51.47 50.88 2 0 15.26 -999 ? C2 EDO A 213 >VAL~A 133 63.24 53.98 49.49 62.82 55.10 47.67 63.03 54.54 48.58 3 0 14.16 -999 ? C2 EDO A 211 >GLY~A 134 60.56 51.81 51.09 61.21 52.16 51.47 60.89 51.98 51.28 1 0 14.58 -999 ? C2 EDO A 211 >CYH~A 135 62.27 51.90 54.49 63.88 49.60 54.54 63.08 50.75 54.52 2 0 12.39 -999 ? C1 EDO A 205 >ALA~A 136 62.62 55.66 54.32 63.40 56.48 53.25 63.01 56.07 53.78 2 0 14.98 -999 ? C1 EDO A 205 >LEU~A 137 58.20 55.78 52.20 58.33 57.12 50.50 58.27 56.45 51.35 3 0 12.97 -999 ? C2 EDO A 211 >ALA~A 138 57.91 53.51 56.13 58.47 52.10 56.24 58.19 52.81 56.19 2 0 11.30 -999 ? C1 EDO A 205 >THR~A 139 59.68 55.64 58.72 61.75 55.85 59.33 60.72 55.74 59.03 2 0 9.35 -999 ? C1 EDO A 205 >ALA~A 140 58.06 58.88 57.54 58.16 59.52 56.13 58.11 59.20 56.84 2 0 14.67 -999 ? C1 EDO A 205 >PHE~A 141 54.09 57.24 55.16 54.23 58.40 52.70 54.16 57.82 53.93 3 0 13.72 -999 ? O2 EDO A 211 >SER~A 142 55.02 55.36 60.84 55.33 53.22 59.69 55.17 54.29 60.26 2 0 10.24 -999 ? C1 EDO A 205 >ILE~A 143 57.97 58.62 62.99 59.07 59.22 62.19 58.52 58.92 62.59 3 0 10.30 -999 ? C1 EDO A 205 >THR.A 144 54.69 59.76 65.79 53.83 58.14 66.94 54.26 58.95 66.37 2 0 7.82 -999 ? O1 EDO A 207 >ARG.A 145 59.13 61.21 70.00 61.78 59.65 70.10 60.46 60.43 70.05 2 0 6.50 -999 ? C1 EDO A 207 >PRO.A 146 59.61 65.76 65.25 59.85 63.56 65.11 59.73 64.66 65.18 3 0 12.71 -999 ? C1 EDO A 207 >VAL^A 147 63.46 61.53 63.93 62.54 59.59 63.46 63.00 60.56 63.69 3 0 10.25 -999 ? O1 EDO A 205 >THR^A 148 66.82 61.74 62.23 68.75 62.60 62.69 67.78 62.17 62.46 2 0 13.78 -999 ? O1 EDO A 205 >LEU^A 149 65.86 59.21 58.33 65.58 57.67 56.77 65.72 58.44 57.55 3 0 12.71 -999 ? O1 EDO A 205 >LEU^A 150 71.63 58.24 58.66 72.54 59.47 60.21 72.09 58.86 59.43 3 0 14.46 -999 ? O1 EDO A 205 >PHE^A 151 68.64 57.10 52.23 67.54 55.67 50.10 68.09 56.39 51.17 3 0 17.84 -999 ? C1 EDO A 205 >ASP.A 152 74.30 54.62 53.69 76.41 54.76 53.46 75.36 54.69 53.58 2 0 13.21 -999 ? C2 EDO A 214 >ASP~A 153 74.61 54.33 49.03 76.03 53.22 50.10 75.32 53.78 49.56 2 0 15.49 -999 ? C2 EDO A 214 >TYR~A 154 70.29 60.19 49.31 67.97 61.54 48.64 69.13 60.87 48.98 3 0 20.21 -999 ? C2 EDO A 211 >GLN~A 156 73.98 53.74 44.26 76.01 53.70 43.59 74.99 53.72 43.92 2 0 19.81 -999 ? C2 EDO A 213 >TRP~A 159 64.96 53.74 43.74 61.16 52.68 43.48 63.06 53.21 43.61 3 0 12.14 -999 ? C2 EDO A 211 >GLN~A 160 67.48 55.84 45.91 69.34 55.09 46.64 68.41 55.46 46.27 2 0 18.81 -999 ? C2 EDO A 211 >HIS~A 161 67.36 62.16 44.60 69.43 61.84 44.74 68.39 62.00 44.67 3 0 18.43 -999 ? C2 EDO A 211 >GLN~A 162 60.58 58.13 45.63 59.89 56.39 44.53 60.23 57.26 45.08 2 0 9.31 -999 ? C2 EDO A 211 >VAL~A 163 62.22 60.33 49.22 64.00 59.23 50.07 63.11 59.78 49.65 3 0 15.39 -999 ? C2 EDO A 211 >GLU~A 164 64.76 64.51 48.77 66.17 65.66 47.69 65.46 65.09 48.23 2 0 19.13 -999 ? C2 EDO A 211 >GLU~A 165 56.38 64.29 48.13 54.94 63.35 46.92 55.66 63.82 47.53 2 0 10.06 -999 ? O2 EDO A 211 >PHE~A 166 56.37 61.53 51.52 54.16 61.22 49.85 55.26 61.37 50.69 3 0 11.94 -999 ? O2 EDO A 211 >LEU~A 167 62.56 62.29 53.99 62.25 60.14 54.28 62.40 61.21 54.14 3 0 16.76 -999 ? C1 EDO A 205 >GLY~A 168 62.27 66.82 53.00 62.69 66.16 52.83 62.48 66.49 52.92 1 0 19.69 -999 ? O2 EDO A 211 >ALA.A 169 65.66 68.18 51.86 65.95 69.68 51.62 65.81 68.93 51.74 2 0 22.81 -999 ? O2 EDO A 211 >PRO.A 170 69.14 65.44 51.03 68.15 66.54 52.69 68.64 65.99 51.86 3 0 22.37 -999 ? O1 EDO A 205 >LEU^A 171 72.15 67.86 56.12 73.87 68.87 56.86 73.01 68.37 56.49 3 0 22.33 -999 ? C1 EDO A 214 >MET?A 172 74.51 65.87 52.55 72.66 64.28 50.38 73.59 65.08 51.47 2 0 22.38 -999 ? C1 EDO A 214 >ILE^A 173 77.52 63.98 55.84 77.11 64.09 56.72 77.32 64.04 56.28 3 0 17.13 -999 ? C1 EDO A 214 >GLY.A 174 79.42 63.03 51.42 78.61 63.12 51.63 79.02 63.08 51.53 1 0 18.61 -999 ? C1 EDO A 214 >ARG.A 175 78.93 56.77 50.53 79.76 54.15 51.82 79.35 55.46 51.17 2 0 12.88 -999 ? C2 EDO A 214 >LEU^A 176 75.98 59.83 54.62 75.17 58.88 56.37 75.57 59.35 55.50 3 0 14.76 -999 ? C1 EDO A 214 >ALA^A 177 71.97 61.90 53.53 70.84 61.68 52.49 71.40 61.79 53.01 2 0 20.02 -999 ? O1 EDO A 205 >ALA^A 178 70.79 63.15 56.89 71.76 63.84 57.85 71.28 63.50 57.37 2 0 18.28 -999 ? O1 EDO A 205 >PHE^A 179 66.40 62.74 54.94 66.84 62.21 52.26 66.62 62.48 53.60 3 0 18.38 -999 ? O1 EDO A 205 >GLN^A 180 64.81 67.21 61.69 65.88 65.89 63.01 65.35 66.55 62.35 2 0 15.78 -999 ? O1 EDO A 205 >VAL^A 181 61.79 63.60 59.46 61.84 61.66 58.40 61.82 62.63 58.93 3 0 14.47 -999 ? O1 EDO A 205 >GLU.A 182 59.12 67.12 60.56 59.01 68.40 62.19 59.06 67.76 61.38 2 0 17.46 -999 ? C1 EDO A 207 >PRO.A 183 55.57 62.65 63.31 55.88 63.02 61.14 55.73 62.83 62.22 3 0 13.55 -999 ? O1 EDO A 207 >GLN.A 184 55.67 62.91 56.25 55.23 64.93 55.94 55.45 63.92 56.10 2 0 17.93 -999 ? O2 EDO A 211 >PRO.A 185 49.39 63.58 56.78 50.55 61.68 56.87 49.97 62.63 56.82 3 0 17.22 -999 ? O2 EDO A 211 >ILE.A 186 49.55 57.27 53.93 49.89 55.90 54.00 49.72 56.59 53.96 3 0 13.31 -999 ? O2 EDO A 211 >PRO~A 187 50.43 61.60 50.48 48.76 60.26 51.16 49.60 60.93 50.82 3 0 11.06 -999 ? O2 EDO A 211 >PRO~A 188 44.08 59.26 50.26 46.06 58.61 49.46 45.07 58.94 49.86 3 0 11.03 -999 ? O2 EDO A 211 >GLY~A 189 46.83 58.89 45.61 47.35 58.64 46.21 47.09 58.77 45.91 1 0 6.68 -999 ? O2 EDO A 211 >SER~A 190 50.37 57.76 46.53 51.31 59.83 47.22 50.84 58.79 46.87 2 0 7.29 -999 ? O2 EDO A 211 >LEU~A 191 48.02 53.74 47.64 47.26 53.48 49.62 47.64 53.61 48.63 3 0 9.06 -999 ? O2 EDO A 211 >MET?A 192 50.49 52.66 43.99 47.99 52.87 40.51 49.24 52.77 42.25 2 0 4.34 -999 ? C1 EDO A 211 >GLN~A 193 55.49 56.30 44.83 55.64 58.35 45.56 55.57 57.33 45.20 2 0 7.11 -999 ? O2 EDO A 211 >LEU~A 194 53.26 53.97 49.00 53.75 53.90 51.11 53.50 53.94 50.06 3 0 10.14 -999 ? O2 EDO A 211 >ILE~A 195 52.18 49.23 46.73 51.00 48.39 46.89 51.59 48.81 46.81 3 0 9.18 -999 ? O1 EDO B 205 >ARG~A 196 55.67 51.14 40.90 53.37 52.96 40.13 54.52 52.05 40.51 2 0 -3.20 -999 ? C2 EDO A 211s >THR~A 197 58.74 51.12 47.00 58.24 53.10 47.73 58.49 52.11 47.37 2 0 10.32 -999 ? C2 EDO A 211 >MET?A 198 57.96 48.45 49.65 55.75 50.51 52.48 56.85 49.48 51.06 2 0 12.31 -999 ? O1 EDO B 205 >THR~A 199 58.25 45.65 47.09 56.15 45.63 46.48 57.20 45.64 46.79 2 0 8.51 -999 ? O1 EDO B 205 >SER.A 200 61.41 46.72 45.29 60.35 48.19 43.66 60.88 47.46 44.47 2 0 11.97 -999 ? C2 EDO A 211 >PRO.A 201 63.83 43.13 46.03 63.94 45.32 46.59 63.89 44.22 46.31 3 0 12.13 -999 ? O1 EDO A 203 >GLN.B 8 20.10 38.54 23.02 18.76 39.76 24.12 19.43 39.15 23.57 2 0 7.60 -999 ? O2 EDO B 203 >MET?B 9 24.50 37.85 23.06 26.88 37.44 19.50 25.69 37.65 21.28 2 0 13.38 -999 ? O2 EDO B 203 >ARG.B 10 20.15 41.52 27.41 19.38 44.39 28.17 19.76 42.95 27.79 2 0 -4.27 -999 ? O1 EDO B 203s >PRO.B 11 26.59 42.09 28.21 25.26 40.26 28.54 25.93 41.18 28.38 3 0 -5.32 -999 ? O2 EDO B 203s >GLU.B 12 22.15 36.48 31.08 21.83 34.34 31.08 21.99 35.41 31.08 2 0 -6.80 -999 ? O2 EDO B 203s >LEU.B 13 22.23 40.72 36.06 22.62 42.36 37.39 22.42 41.54 36.72 3 0 4.60 -999 ? C1 EDO B 203 >THR.B 14 24.74 36.76 37.56 26.82 36.50 36.97 25.78 36.63 37.27 2 0 7.60 -999 ? O1 EDO B 212 >MET?B 15 23.14 37.85 40.89 23.90 41.86 42.02 23.52 39.85 41.45 2 0 9.93 -999 ? C1 EDO B 203 >PRO~B 16 21.05 35.43 43.85 20.49 36.65 42.06 20.77 36.04 42.96 3 0 11.37 -999 ? O1 EDO B 215 >PRO~B 17 15.63 36.54 41.24 17.05 38.01 42.10 16.34 37.27 41.67 3 0 11.57 -999 ? O1 EDO B 203 >ALA~B 18 16.59 40.39 45.36 16.48 39.74 46.74 16.54 40.06 46.05 2 0 13.61 -999 ? O1 EDO B 215 >GLU~B 19 21.41 39.38 46.22 22.81 37.84 46.24 22.11 38.61 46.23 2 0 8.94 -999 ? C1 EDO B 215 >ALA~B 20 19.70 42.38 41.33 19.16 41.53 40.21 19.43 41.95 40.77 2 0 7.95 -999 ? C1 EDO B 203 >ALA~B 22 19.03 46.14 45.15 19.75 45.38 46.24 19.39 45.76 45.69 2 0 13.90 -999 ? C1 EDO B 203 >LEU~B 23 22.33 45.80 41.67 23.95 46.06 40.21 23.14 45.93 40.94 3 0 9.12 -999 ? C1 EDO B 203 >ARG~B 24 15.92 48.14 38.08 14.09 48.64 40.51 15.01 48.39 39.30 2 0 11.34 -999 ? O1 EDO B 203 >MET?B 25 17.85 50.64 42.91 14.97 48.72 45.29 16.41 49.68 44.10 2 0 14.92 -999 ? O1 EDO B 203 >ALA~B 26 21.33 51.77 43.86 22.46 50.90 44.31 21.89 51.33 44.08 2 0 14.22 -999 ? C1 EDO B 203 >TYR~B 27 23.59 50.72 39.14 25.99 49.27 39.27 24.79 50.00 39.21 3 0 10.38 -999 ? C1 EDO B 203 >GLU~B 28 17.14 52.90 38.94 15.21 52.02 39.10 16.18 52.46 39.02 2 0 12.03 -999 ? O1 EDO B 203 >GLU~B 29 18.40 55.81 44.75 16.94 57.32 44.96 17.67 56.57 44.86 2 0 -15.92 -999 ? O2 EDO B 211s >ALA~B 30 23.41 57.14 41.61 24.35 55.90 41.49 23.88 56.52 41.55 2 0 10.11 -999 ? O2 EDO B 213 >GLU.B 31 25.04 61.72 37.75 25.32 63.80 37.88 25.18 62.76 37.81 2 0 5.81 -999 ? O3 SO4 B 202 >VAL^B 32 28.14 58.33 38.96 29.88 59.73 38.84 29.01 59.03 38.90 3 0 5.28 -999 ? O2 EDO B 213 >ILE^B 33 27.76 53.72 38.37 26.66 53.00 38.15 27.21 53.36 38.26 3 0 7.95 -999 ? O2 EDO B 213 >LEU^B 34 33.19 53.38 40.48 35.38 52.95 40.38 34.28 53.17 40.43 3 0 4.48 -999 ? O2 EDO B 213 >GLU^B 35 30.05 48.92 37.74 29.05 47.76 36.27 29.55 48.34 37.01 2 0 10.09 -999 ? C1 EDO B 203 >TYR^B 36 36.48 47.64 41.38 37.86 49.80 42.46 37.17 48.72 41.92 3 0 9.19 -999 ? C2 EDO B 213 >GLY.B 37 34.19 43.77 37.17 33.88 44.55 37.10 34.03 44.16 37.14 1 0 7.85 -999 ? O1 EDO B 212 >SER.B 38 32.06 44.32 34.09 33.40 44.14 32.08 32.73 44.23 33.08 2 0 6.95 -999 ? O1 EDO B 212 >GLY~B 39 29.00 42.48 32.81 28.77 43.23 33.06 28.89 42.86 32.94 1 0 6.71 -999 ? O1 EDO B 212 >GLY~B 40 25.30 42.35 33.35 25.86 42.86 33.70 25.58 42.60 33.53 1 0 -4.17 -999 ? C2 EDO B 203s >SER~B 41 25.47 45.05 35.98 27.66 45.18 37.00 26.56 45.11 36.49 2 0 8.31 -999 ? C1 EDO B 203 >THR~B 42 27.12 47.32 33.47 29.17 47.33 32.77 28.15 47.32 33.12 2 0 9.04 -999 ? C2 EDO B 203 >VAL~B 43 24.15 46.79 31.15 23.63 45.25 29.72 23.89 46.02 30.43 3 0 4.26 -999 ? C2 EDO B 203 >VAL~B 44 21.75 47.71 33.92 21.02 46.77 35.76 21.39 47.24 34.84 3 0 4.85 -999 ? C1 EDO B 203 >ALA~B 45 23.64 50.99 34.30 25.12 51.15 34.85 24.38 51.07 34.58 2 0 9.46 -999 ? C1 EDO B 203 >ALA~B 46 23.94 51.58 30.53 24.53 50.58 29.53 24.24 51.08 30.03 2 0 8.76 -999 ? C2 EDO B 203 >GLU~B 47 19.81 49.18 29.23 19.00 47.27 29.39 19.41 48.22 29.31 2 0 5.05 -999 ? O1 EDO B 203 >LEU.B 48 19.87 54.05 34.17 18.88 52.79 35.60 19.38 53.42 34.88 3 0 10.61 -999 ? O1 EDO B 203 >PRO.B 49 17.42 57.92 31.95 19.45 57.05 31.71 18.44 57.49 31.83 3 0 14.39 -999 ? O1 EDO B 203 >GLY.B 50 21.94 60.40 32.77 22.15 59.63 32.86 22.05 60.02 32.82 1 0 11.89 -999 ? O3 SO4 B 202 >LYS.B 51 24.64 58.17 34.29 20.61 57.17 37.88 22.62 57.67 36.08 2 0 12.57 -999 ? O3 SO4 B 202 >HIS^B 52 30.61 59.40 34.29 32.59 59.47 33.62 31.60 59.44 33.96 3 0 -4.07 -999 ? C1 EDO B 206s >VAL^B 53 29.74 54.64 34.36 28.19 53.12 34.16 28.97 53.88 34.26 3 0 7.39 -999 ? O2 EDO B 206 >THR^B 54 33.27 53.33 34.71 34.98 54.63 34.98 34.12 53.98 34.84 2 0 3.05 -999 ? O2 EDO B 206s >SER^B 55 33.93 49.60 34.82 32.74 47.46 34.63 33.33 48.53 34.73 2 0 9.98 -999 ? O2 EDO B 206 >VAL^B 56 37.36 48.21 35.69 38.78 48.94 37.22 38.07 48.57 36.45 3 0 7.34 -999 ? C1 EDO B 210 >GLU^B 57 36.98 43.46 32.11 36.23 42.00 33.46 36.61 42.73 32.78 2 0 5.23 -999 ? O2 EDO B 212 >SER.B 58 40.90 42.45 34.10 40.29 40.76 35.84 40.59 41.61 34.97 2 0 -6.44 -999 ? O2 EDO B 212s >ASP~B 59 38.64 39.13 31.57 38.49 37.54 30.14 38.57 38.34 30.85 2 0 -3.75 -999 ? O2 EDO B 212s >ARG~B 60 43.76 43.01 25.92 46.36 41.74 25.01 45.06 42.37 25.47 2 0 4.56 -999 ? O1 EDO B 214s >ALA~B 61 38.81 39.46 25.88 39.04 37.96 25.61 38.92 38.71 25.74 2 0 3.95 -999 ? O2 EDO B 214 >TRP~B 62 33.92 40.75 31.02 30.90 38.74 29.52 32.41 39.74 30.27 3 0 3.72 -999 ? O1 EDO B 212 >ALA~B 63 36.39 43.77 27.97 37.67 44.51 28.44 37.03 44.14 28.21 2 0 4.06 -999 ? C2 EDO B 207 >ARG~B 64 38.39 41.97 21.15 40.81 40.72 22.56 39.60 41.35 21.85 2 0 -2.77 -999 ? O1 EDO B 214s >MET?B 65 33.17 41.77 24.16 33.39 37.50 24.76 33.28 39.63 24.46 2 0 7.65 -999 ? C2 EDO B 212 >MET?B 66 31.56 44.31 26.47 30.01 43.07 29.17 30.79 43.69 27.82 2 0 7.63 -999 ? O1 EDO B 212 >LYS~B 67 32.83 47.16 24.29 38.73 49.03 25.66 35.78 48.09 24.97 2 0 -3.47 -999 ? C2 EDO B 207s >ALA~B 68 31.42 45.40 21.19 31.88 43.99 20.65 31.65 44.69 20.92 2 0 8.53 -999 ? O2 EDO B 207 >TRP~B 69 25.57 42.79 23.77 23.69 45.51 25.88 24.63 44.15 24.82 3 0 7.35 -999 ? C2 EDO B 203 >LEU~B 70 28.80 49.25 24.99 28.50 49.24 27.17 28.65 49.24 26.08 3 0 11.04 -999 ? C2 EDO B 203 >ALA~B 71 28.76 49.65 20.38 30.01 49.20 19.59 29.39 49.42 19.99 2 0 11.04 -999 ? O2 EDO B 207 >ALA~B 72 25.89 47.47 19.12 25.92 45.94 19.09 25.91 46.71 19.10 2 0 13.41 -999 ? C2 EDO B 203 >ASN~B 73 23.24 47.47 22.89 22.89 45.68 21.83 23.07 46.57 22.36 2 0 10.10 -999 ? C2 EDO B 203 >PRO.B 74 24.18 52.61 20.50 24.15 51.61 22.52 24.17 52.11 21.51 3 0 13.96 -999 ? C2 EDO B 203 >PRO.B 75 26.03 53.50 26.67 24.00 53.33 25.73 25.02 53.41 26.20 3 0 12.51 -999 ? C2 EDO B 203 >ALA.B 76 20.55 55.47 27.24 19.80 55.27 28.52 20.18 55.37 27.88 2 0 12.68 -999 ? O1 EDO B 203 >GLU.B 77 19.26 61.44 26.33 17.67 62.53 25.47 18.47 61.99 25.90 2 0 19.44 -999 ? O3 SO4 B 202 >GLY.B 78 22.96 61.20 28.49 23.00 60.38 28.44 22.98 60.79 28.46 1 0 14.01 -999 ? O3 SO4 B 202 >THR.B 79 24.76 58.06 29.70 23.91 56.37 30.80 24.33 57.22 30.25 2 0 11.91 -999 ? O2 EDO B 206 >GLU^B 80 30.81 58.23 29.13 31.99 59.98 29.24 31.40 59.10 29.18 2 0 6.08 -999 ? O2 EDO B 206 >VAL^B 81 29.98 53.95 29.85 28.73 52.17 30.06 29.36 53.06 29.96 3 0 7.94 -999 ? O2 EDO B 206 >ASN^B 82 34.64 54.56 30.45 34.08 56.44 29.60 34.36 55.50 30.02 2 0 -3.78 -999 ? O2 EDO B 206s >ILE^B 83 34.69 48.70 29.07 33.88 47.79 29.81 34.29 48.25 29.44 3 0 7.44 -999 ? C2 EDO B 207 >VAL^B 84 38.68 50.08 31.29 39.28 51.81 32.41 38.98 50.95 31.85 3 0 5.52 -999 ? O2 EDO B 210 >TRP^B 85 41.91 44.06 30.43 45.45 44.53 28.80 43.68 44.29 29.61 3 0 -5.04 -999 ? C1 EDO B 209s >THR.B 86 43.33 46.90 33.51 42.85 48.11 35.27 43.09 47.50 34.39 2 0 -3.79 -999 ? C1 EDO B 210s >ASP.B 87 47.40 45.11 31.89 48.61 43.55 31.21 48.01 44.33 31.55 2 0 -5.38 -999 ? C1 EDO B 209s >ILE.B 88 46.10 41.94 36.76 44.81 41.90 37.33 45.46 41.92 37.04 3 0 8.10 -999 ? O1 EDO B 209 >GLY.B 89 48.63 39.73 33.17 47.85 39.87 33.16 48.24 39.80 33.17 1 0 -9.08 -999 ? C1 EDO B 209s >PRO.B 90 49.34 36.45 30.38 47.60 37.34 31.48 48.47 36.90 30.93 3 0 -7.95 -999 ? O2 EDO B 214s >THR.B 91 43.86 35.67 32.67 42.85 37.59 32.65 43.35 36.63 32.66 2 0 -6.78 -999 ? O2 EDO B 212s >GLY.B 92 42.22 32.27 32.63 41.72 32.94 32.69 41.97 32.61 32.66 1 0 7.60 -999 ? O2 EDO B 212 >ASP.B 93 38.44 29.36 32.05 39.27 28.24 30.48 38.86 28.80 31.26 2 0 9.02 -999 ? C2 EDO B 212 >TRP.B 94 36.93 29.17 35.49 33.46 29.37 33.67 35.19 29.27 34.58 3 0 7.08 -999 ? C1 EDO B 212 >GLY.B 95 38.99 36.03 34.86 39.36 35.42 35.23 39.18 35.73 35.04 1 0 -3.53 -999 ? O2 EDO B 212s >HIS.B 96 40.51 33.87 39.27 38.99 33.83 40.72 39.75 33.85 39.99 3 0 -3.35 -999 ? O1 EDO B 204s >PRO.B 97 45.54 37.23 38.31 44.74 35.74 36.81 45.14 36.49 37.56 3 0 4.49 -999 ? C2 EDO B 204 >VAL.B 98 47.01 32.56 35.02 47.34 31.80 33.00 47.18 32.18 34.01 3 0 7.72 -999 ? C2 EDO B 204 >SER.B 99 50.02 33.16 37.29 51.83 33.86 35.77 50.93 33.51 36.53 2 0 8.67 -999 ? O1 EDO A 204 >ASP.B 100 52.04 35.63 40.92 53.56 34.18 41.27 52.80 34.91 41.09 2 0 -3.28 -999 ? O1 EDO A 204s >ALA.B 101 53.72 37.04 36.47 53.51 36.72 34.99 53.61 36.88 35.73 2 0 9.99 -999 ? O1 EDO A 204 >LYS~B 102 52.44 40.62 36.72 52.42 44.17 32.91 52.43 42.39 34.81 2 0 7.57 -999 ? O1 EDO B 209 >TRP~B 103 55.35 39.21 40.87 56.91 41.97 43.23 56.13 40.59 42.05 3 0 8.42 -999 ? C1 EDO A 204 >ARG~B 104 57.78 44.26 39.59 59.46 41.71 39.67 58.62 42.99 39.63 2 0 11.05 -999 ? C1 EDO A 204 >SER~B 105 50.94 45.67 38.53 51.84 45.78 36.30 51.39 45.73 37.41 2 0 7.09 -999 ? O1 EDO B 209 >TYR~B 106 48.65 41.64 41.19 48.86 39.03 40.13 48.75 40.34 40.66 3 0 7.27 -999 ? O2 EDO B 204 >PRO~B 107 49.80 46.93 43.82 48.00 46.80 42.47 48.90 46.86 43.14 3 0 9.18 -999 ? O1 EDO B 205 >ASP~B 108 47.24 48.76 38.16 49.23 49.47 37.89 48.23 49.12 38.02 2 0 4.86 -999 ? O1 EDO B 210 >TYR~B 109 41.87 45.11 39.39 39.27 44.20 38.95 40.57 44.66 39.17 3 0 9.17 -999 ? O1 EDO B 210 >PRO~B 110 43.72 47.38 44.01 42.38 48.10 42.39 43.05 47.74 43.20 3 0 9.26 -999 ? O1 EDO B 210 >LEU~B 111 45.12 51.87 43.45 45.51 51.75 45.60 45.32 51.81 44.52 3 0 8.23 -999 ? O2 EDO A 211 >ALA~B 112 44.41 53.26 39.20 44.94 52.56 37.90 44.68 52.91 38.55 2 0 -3.43 -999 ? O1 EDO B 210s >VAL~B 113 40.80 54.31 38.54 38.75 53.46 38.92 39.77 53.89 38.73 3 0 5.29 -999 ? C1 EDO B 213 >TRP~B 114 40.02 53.95 43.38 36.84 55.85 44.69 38.43 54.90 44.04 3 0 6.33 -999 ? C2 EDO B 213 >ARG~B 115 46.85 58.19 41.42 48.78 60.24 40.19 47.82 59.21 40.81 2 0 4.12 -999 ? O2 EDO A 211s >THR.B 116 41.86 58.67 36.19 40.42 57.20 35.40 41.14 57.94 35.80 2 0 -4.36 -999 ? C2 EDO B 206s >GLY.B 118 38.57 63.58 34.43 38.87 62.98 34.92 38.72 63.28 34.67 1 0 -4.05 -999 ? O1 EDO B 206s >PHE.B 119 38.16 60.91 39.99 37.14 59.83 42.29 37.65 60.37 41.14 3 0 -4.39 -999 ? C2 EDO B 213s >ARG.B 120 32.13 62.79 35.69 29.23 63.56 36.03 30.68 63.18 35.86 2 0 4.04 -999 ? O3 SO4 B 202s >HIS.B 121 33.59 61.40 44.81 33.81 60.41 46.66 33.70 60.91 45.74 3 0 5.30 -999 ? O2 EDO B 211s >PRO.B 122 33.33 56.58 42.64 31.90 58.35 42.52 32.61 57.47 42.58 3 0 3.87 -999 ? O2 EDO B 213 >ASP.B 123 26.67 58.26 43.55 26.76 60.25 42.99 26.72 59.26 43.27 2 0 -6.18 -999 ? O2 EDO B 211s >VAL^B 124 27.98 54.01 44.26 26.10 52.85 44.15 27.04 53.43 44.20 3 0 9.58 -999 ? O2 EDO B 213 >VAL^B 125 30.83 51.52 43.95 32.87 52.13 44.56 31.85 51.82 44.25 3 0 7.98 -999 ? O2 EDO B 213 >LEU^B 126 29.36 47.52 41.82 28.43 45.54 41.49 28.89 46.53 41.66 3 0 12.31 -999 ? O2 EDO B 213 >VAL^B 127 32.88 45.41 44.05 34.29 45.57 45.72 33.59 45.49 44.89 3 0 13.30 -999 ? O2 EDO B 213 >ASP.B 128 30.93 42.69 41.06 29.89 40.97 40.53 30.41 41.83 40.79 2 0 9.10 -999 ? O1 EDO B 212 >GLY.B 129 35.65 41.64 40.33 35.64 41.46 41.12 35.64 41.55 40.72 1 0 8.84 -999 ? O2 EDO B 212 >ARG.B 130 40.08 38.17 39.70 38.08 36.94 41.68 39.08 37.56 40.69 2 0 5.09 -999 ? O1 EDO B 204 >PHE~B 131 43.10 42.50 43.12 45.18 41.55 41.45 44.14 42.03 42.28 3 0 7.50 -999 ? O1 EDO B 204 >ARG~B 132 34.75 40.17 45.03 32.75 38.83 43.21 33.75 39.50 44.12 2 0 10.42 -999 ? O1 EDO B 212 >VAL~B 133 38.78 43.40 49.64 39.09 42.35 51.52 38.93 42.88 50.58 3 0 11.07 -999 ? C2 EDO B 205 >GLY~B 134 41.47 45.59 48.07 40.65 45.62 47.98 41.06 45.60 48.03 1 0 10.13 -999 ? C1 EDO B 205 >CYH~B 135 38.92 47.44 45.96 38.86 46.07 43.56 38.89 46.76 44.76 2 0 12.03 -999 ? O1 EDO B 210 >ALA~B 136 36.77 47.99 49.02 36.10 46.92 49.87 36.44 47.46 49.45 2 0 15.04 -999 ? C2 EDO B 213 >LEU~B 137 40.80 48.65 51.68 40.46 47.57 53.49 40.63 48.11 52.58 3 0 13.09 -999 ? C1 EDO B 205 >ALA~B 138 40.83 51.51 48.06 41.10 51.01 46.59 40.97 51.26 47.33 2 0 11.36 -999 ? C2 EDO B 213 >THR~B 139 37.37 53.09 47.96 35.44 52.46 47.13 36.40 52.77 47.55 2 0 9.48 -999 ? C2 EDO B 213 >ALA~B 140 37.31 53.70 51.72 37.46 52.65 52.82 37.39 53.17 52.27 2 0 14.74 -999 ? C2 EDO B 213 >PHE~B 141 42.00 53.73 52.90 42.09 51.99 55.03 42.05 52.86 53.97 3 0 16.07 -999 ? O1 EDO B 205 >SER~B 142 40.15 57.33 48.34 41.47 55.78 47.10 40.81 56.56 47.72 2 0 10.22 -999 ? C2 EDO B 213 >ILE~B 143 35.32 58.14 49.09 34.56 56.93 49.56 34.94 57.54 49.33 3 0 10.17 -999 ? O2 EDO B 211 >THR.B 144 36.22 62.46 49.85 37.18 63.49 48.23 36.70 62.97 49.04 2 0 6.77 -999 ? C1 EDO B 211 >ARG.B 145 30.34 63.48 47.65 29.15 61.89 45.38 29.74 62.68 46.51 2 0 -3.91 -999 ? O2 EDO B 211s >PRO.B 146 29.52 60.66 53.25 30.60 59.90 51.43 30.06 60.28 52.34 3 0 -9.78 -999 ? C2 EDO B 211s >VAL^B 147 29.37 56.49 49.10 31.34 56.14 48.11 30.35 56.31 48.60 3 0 9.94 -999 ? O2 EDO B 211 >THR^B 148 27.38 53.32 48.95 25.28 52.88 48.87 26.33 53.10 48.91 2 0 13.96 -999 ? O2 EDO B 213s >LEU^B 149 30.87 50.17 49.06 32.52 48.72 48.64 31.69 49.45 48.85 3 0 12.89 -999 ? O2 EDO B 213 >LEU^B 150 27.05 47.09 45.95 25.12 48.10 45.94 26.08 47.60 45.95 3 0 14.41 -999 ? O2 EDO B 213 >PHE^B 151 32.16 43.23 49.18 34.59 41.87 49.38 33.38 42.55 49.28 3 0 12.17 -999 ? C1 EDO B 215 >ASP.B 152 29.22 40.87 44.25 28.59 38.99 43.45 28.90 39.93 43.85 2 0 10.67 -999 ? C1 EDO B 215 >ASP.B 153 29.98 36.69 46.51 29.92 34.68 47.13 29.95 35.69 46.82 2 0 5.76 -999 ? C1 EDO B 215 >TYR.B 154 30.54 40.86 52.49 31.86 41.67 54.82 31.20 41.27 53.65 3 0 9.74 -999 ? C2 EDO B 215 >SER.B 155 30.32 36.75 53.86 32.13 35.29 53.40 31.22 36.02 53.63 2 0 5.10 -999 ? C2 EDO B 215 >GLN.B 156 30.92 38.80 58.63 29.06 39.73 58.09 29.99 39.26 58.36 2 0 9.41 -999 ? C2 EDO B 215 >ARG~B 157 36.38 34.15 52.92 38.10 33.94 50.44 37.24 34.05 51.68 2 0 9.35 -999 ? O1 EDO A 208s >ARG~B 158 41.16 36.21 59.68 42.12 38.53 57.87 41.64 37.37 58.77 2 0 -10.42 -999 ? O2 EDO B 205s >TRP~B 159 39.65 38.06 51.31 43.33 39.35 51.93 41.49 38.71 51.62 3 0 7.50 -999 ? O1 EDO A 208s >GLN~B 160 35.17 38.34 51.84 33.42 37.54 51.03 34.29 37.94 51.44 2 0 7.74 -999 ? C2 EDO B 215 >HIS~B 161 34.47 40.44 59.56 34.21 41.39 61.41 34.34 40.91 60.49 3 0 13.25 -999 ? C2 EDO B 215 >GLN~B 162 40.05 42.52 55.75 41.96 41.82 55.02 41.00 42.17 55.39 2 0 9.60 -999 ? O2 EDO B 205 >VAL~B 163 36.69 45.46 55.70 35.55 44.63 53.94 36.12 45.05 54.82 3 0 15.34 -999 ? C2 EDO B 215 >GLU~B 164 32.56 44.43 58.26 31.16 43.20 59.11 31.86 43.81 58.68 2 0 13.18 -999 ? C2 EDO B 215 >GLU~B 165 39.12 48.87 61.18 41.14 48.28 61.60 40.13 48.57 61.39 2 0 17.21 -999 ? O2 EDO B 205 >PHE~B 166 39.29 50.20 57.12 41.74 49.70 58.34 40.51 49.95 57.73 3 0 16.45 -999 ? O1 EDO B 205 >LEU~B 167 33.41 49.07 54.83 34.61 48.88 52.98 34.01 48.98 53.90 3 0 17.14 -999 ? O2 EDO B 213 >GLY~B 168 31.35 49.69 58.95 31.56 49.13 58.37 31.46 49.41 58.66 1 0 18.97 -999 ? C2 EDO B 215 >ALA.B 169 28.78 46.97 59.31 27.89 46.80 60.51 28.33 46.88 59.91 2 0 16.69 -999 ? C2 EDO B 215 >PRO.B 170 27.82 43.84 56.25 27.32 45.98 56.75 27.57 44.91 56.50 3 0 13.44 -999 ? C2 EDO B 215 >LEU^B 171 22.19 46.58 55.06 21.00 47.65 56.54 21.59 47.11 55.80 3 0 16.39 -999 ? C1 EDO B 215 >MET?B 172 22.88 42.19 53.68 25.95 41.09 54.20 24.42 41.64 53.94 2 0 9.24 -999 ? C1 EDO B 215 >ILE^B 173 20.21 42.55 49.62 20.16 43.45 49.54 20.18 43.00 49.58 3 0 12.99 -999 ? C1 EDO B 215 >GLY.B 174 21.16 37.81 50.29 21.60 38.46 50.64 21.38 38.14 50.47 1 0 8.08 -999 ? O1 EDO B 215 >ARG.B 175 25.40 33.87 48.59 22.62 33.43 47.37 24.01 33.65 47.98 2 0 -6.05 -999 ? O1 EDO B 215s >LEU^B 176 24.21 41.77 47.47 24.67 43.46 46.14 24.44 42.61 46.80 3 0 11.75 -999 ? C1 EDO B 215 >ALA^B 177 26.55 43.55 51.18 27.89 43.27 51.92 27.22 43.41 51.55 2 0 10.99 -999 ? C1 EDO B 215 >ALA^B 178 25.69 47.19 51.21 24.26 47.71 50.92 24.98 47.45 51.07 2 0 15.72 -999 ? C1 EDO B 215 >PHE^B 179 29.89 47.79 53.42 30.81 45.19 53.89 30.35 46.49 53.66 3 0 -14.64 -999 ? C2 EDO B 215s >GLN^B 180 26.76 55.27 55.04 25.98 56.30 53.40 26.37 55.79 54.22 2 0 13.98 -999 ? O2 EDO B 211s >VAL^B 181 31.37 54.13 53.52 32.70 52.84 52.34 32.03 53.49 52.93 3 0 14.63 -999 ? O2 EDO B 213 >GLU.B 182 31.06 57.11 56.90 29.47 58.38 56.55 30.26 57.74 56.72 2 0 14.37 -999 ? C2 EDO B 211 >PRO.B 183 34.65 60.95 53.40 35.26 59.01 54.23 34.95 59.98 53.81 3 0 11.41 -999 ? C1 EDO B 211 >GLN.B 184 38.61 56.09 56.15 37.52 54.38 56.76 38.07 55.23 56.46 2 0 17.73 -999 ? C1 EDO B 211 >PRO.B 185 42.35 59.21 59.01 41.94 58.55 56.88 42.15 58.88 57.94 3 0 18.18 -999 ? C1 EDO B 211 >ILE.B 186 45.81 55.40 54.87 46.26 54.95 53.63 46.04 55.18 54.25 3 0 14.43 -999 ? O2 EDO A 211 >PRO~B 187 44.10 52.96 59.53 45.84 54.22 58.75 44.97 53.59 59.14 3 0 17.74 -999 ? O1 EDO B 205 >PRO~B 188 50.19 55.51 60.41 49.33 53.79 59.24 49.76 54.65 59.82 3 0 14.82 -999 ? C1 EDO A 205 >GLY~B 189 49.84 50.48 61.22 49.42 50.59 60.51 49.63 50.54 60.87 1 0 13.44 -999 ? C1 EDO A 205 >SER~B 190 47.59 48.89 58.61 45.53 49.27 59.76 46.56 49.08 59.18 2 0 14.94 -999 ? O1 EDO B 205 >LEU~B 191 51.27 49.99 55.61 51.45 51.95 54.72 51.36 50.97 55.17 3 0 12.60 -999 ? O1 EDO B 205 >MET?B 192 51.03 45.59 55.60 54.10 43.93 58.11 52.57 44.76 56.85 2 0 8.86 -999 ? O2 EDO A 210 >GLN~B 193 44.96 44.42 56.49 43.50 45.24 57.80 44.23 44.83 57.14 2 0 11.83 -999 ? O2 EDO B 205 >LEU~B 194 46.71 48.49 53.17 45.52 50.06 52.27 46.11 49.28 52.72 3 0 10.83 -999 ? O1 EDO B 205 >ILE~B 195 50.78 45.97 50.90 52.07 46.52 50.62 51.43 46.25 50.76 3 0 6.57 -999 ? O1 EDO B 205 >ARG~B 196 48.98 39.74 53.75 49.77 41.03 56.44 49.38 40.39 55.09 2 0 -6.49 -999 ? O2 EDO B 205s >THR~B 197 44.66 43.20 50.01 43.70 44.54 51.44 44.18 43.87 50.73 2 0 8.28 -999 ? C1 EDO B 205 >MET?B 198 45.73 45.06 46.90 45.49 49.08 47.80 45.61 47.07 47.35 2 0 10.37 -999 ? O1 EDO B 205 >THR~B 199 47.88 42.17 45.70 49.72 42.83 46.68 48.80 42.50 46.19 2 0 -3.76 -999 ? O1 EDO B 205s >SER.B 200 45.53 39.19 46.37 46.18 38.96 48.70 45.85 39.07 47.53 2 0 -2.92 -999 ? C2 EDO B 205s >PRO.B 201 45.44 37.80 42.23 43.93 38.54 43.72 44.69 38.17 42.98 3 0 -4.29 -999 ? O1 EDO B 204s >GLN.C 8 59.20 1.14 -27.69 59.32 -0.91 -28.18 59.26 0.12 -27.93 2 0 8.88 -999 ? O1 EDO C 207 >MET?C 9 59.50 5.11 -25.45 57.67 8.76 -26.67 58.58 6.93 -26.06 2 0 13.71 -999 ? O1 EDO C 207 >ARG.C 10 59.12 -1.68 -23.40 58.00 -4.05 -21.89 58.56 -2.87 -22.64 2 0 -3.72 -999 ? O1 EDO C 207s >PRO.C 11 59.16 2.81 -18.92 60.83 2.32 -20.35 59.99 2.57 -19.63 3 0 -5.20 -999 ? O1 EDO C 207s >LEU.C 13 64.65 -3.80 -16.55 64.39 -4.72 -14.62 64.52 -4.26 -15.58 3 0 -4.65 -999 ? C2 EDO C 207s >THR.C 14 68.93 -1.52 -16.40 68.92 0.48 -15.65 68.93 -0.52 -16.03 2 0 8.75 -999 ? C1 EDO C 207 >MET?C 15 69.78 -4.63 -14.35 67.11 -5.46 -11.19 68.44 -5.05 -12.77 2 0 9.76 -999 ? C2 EDO C 207 >PRO~C 16 73.84 -6.27 -14.14 71.90 -6.70 -15.20 72.87 -6.49 -14.67 3 0 12.15 -999 ? C2 EDO C 207 >PRO~C 17 72.40 -10.72 -18.09 71.12 -10.07 -16.39 71.76 -10.39 -17.24 3 0 11.69 -999 ? C2 EDO C 207 >ALA~C 18 71.01 -12.38 -13.11 72.33 -12.76 -12.43 71.67 -12.57 -12.77 2 0 14.99 -999 ? C2 EDO C 207 >GLU~C 19 71.64 -7.95 -10.25 73.46 -8.31 -11.31 72.55 -8.13 -10.78 2 0 14.62 -999 ? C2 EDO C 207 >ALA~C 20 66.84 -8.89 -13.58 66.97 -8.47 -15.05 66.90 -8.68 -14.32 2 0 7.74 -999 ? C2 EDO C 207 >ALA~C 22 65.73 -12.35 -9.60 66.91 -11.92 -8.73 66.32 -12.14 -9.16 2 0 13.86 -999 ? C2 EDO C 207 >LEU~C 23 63.80 -7.97 -10.42 62.74 -6.05 -10.47 63.27 -7.01 -10.45 3 0 9.34 -999 ? C2 EDO C 207 >ARG~C 24 62.27 -11.01 -16.00 62.33 -8.67 -17.99 62.30 -9.84 -17.00 2 0 4.31 -999 ? O2 EDO C 207 >MET?C 25 60.73 -14.04 -10.07 63.75 -17.01 -10.62 62.24 -15.53 -10.34 2 0 15.15 -999 ? O2 EDO C 207 >ALA~C 26 60.15 -11.96 -6.93 61.13 -10.93 -6.31 60.64 -11.44 -6.62 2 0 14.25 -999 ? O2 EDO C 207 >TYR~C 27 58.30 -7.58 -9.45 59.32 -5.09 -8.71 58.81 -6.34 -9.08 3 0 10.39 -999 ? O2 EDO C 207 >GLU~C 28 56.85 -13.66 -12.25 57.45 -15.11 -13.66 57.15 -14.39 -12.95 2 0 11.93 -999 ? O2 EDO C 207 >ALA~C 30 54.31 -11.30 -5.03 55.16 -10.00 -4.93 54.73 -10.65 -4.98 2 0 10.06 -999 ? O2 EDO C 204 >GLU.C 31 48.30 -9.82 -4.68 46.53 -10.86 -4.09 47.42 -10.34 -4.39 2 0 11.32 -999 ? O2 EDO C 204 >VAL^C 32 51.54 -6.50 -3.73 50.23 -5.52 -2.27 50.88 -6.01 -3.00 3 0 5.17 -999 ? O2 EDO C 204 >ILE^C 33 55.06 -4.97 -6.40 55.59 -5.57 -7.49 55.33 -5.27 -6.94 3 0 8.00 -999 ? O2 EDO C 204 >LEU^C 34 56.09 -1.26 -1.97 56.30 0.69 -0.98 56.19 -0.28 -1.47 3 0 4.40 -999 ? C2 EDO C 204 >GLU^C 35 58.46 -1.04 -7.55 58.69 -0.84 -9.65 58.57 -0.94 -8.60 2 0 10.21 -999 ? O1 EDO C 207 >TYR^C 36 61.10 3.08 -1.88 59.80 2.97 0.55 60.45 3.03 -0.67 3 0 9.06 -999 ? C2 EDO C 204 >GLY.C 37 61.95 4.52 -7.76 61.25 4.01 -7.65 61.60 4.27 -7.71 1 0 13.21 -999 ? C2 EDO C 206 >SER.C 38 59.97 4.00 -10.94 59.01 6.05 -11.82 59.49 5.02 -11.38 2 0 9.57 -999 ? C1 EDO C 206 >GLY~C 39 61.05 2.70 -14.32 60.63 2.11 -14.00 60.84 2.40 -14.16 1 0 7.46 -999 ? O1 EDO C 207 >GLY~C 40 61.87 -0.48 -16.14 61.62 -0.38 -15.35 61.75 -0.43 -15.74 1 0 4.14 -999 ? C1 EDO C 207 >SER~C 41 61.16 -2.46 -12.99 61.56 -1.00 -11.07 61.36 -1.73 -12.03 2 0 8.55 -999 ? C1 EDO C 207 >THR~C 42 57.64 -1.01 -12.86 57.08 0.97 -12.16 57.36 -0.02 -12.51 2 0 8.88 -999 ? O1 EDO C 207 >VAL~C 43 56.95 -2.17 -16.39 57.43 -1.38 -18.40 57.19 -1.77 -17.40 3 0 4.02 -999 ? O1 EDO C 207 >VAL~C 44 57.97 -5.70 -15.40 59.83 -6.77 -14.84 58.90 -6.24 -15.12 3 0 4.58 -999 ? O2 EDO C 207 >ALA~C 45 55.38 -5.59 -12.61 55.42 -4.67 -11.34 55.40 -5.13 -11.97 2 0 9.39 -999 ? O2 EDO C 207 >ALA~C 46 52.77 -3.98 -14.93 52.97 -2.64 -15.66 52.87 -3.31 -15.29 2 0 8.47 -999 ? O1 EDO C 207 >GLU~C 47 54.76 -6.05 -19.21 56.68 -6.33 -20.04 55.72 -6.19 -19.63 2 0 4.08 -999 ? O2 EDO C 207 >LEU.C 48 53.07 -9.72 -13.60 55.04 -10.71 -13.57 54.05 -10.22 -13.59 3 0 10.01 -999 ? O2 EDO C 207 >PRO.C 49 48.70 -12.10 -15.02 49.19 -10.04 -14.27 48.95 -11.07 -14.65 3 0 13.80 -999 ? O2 EDO C 207 >GLY.C 50 46.78 -9.63 -10.71 47.48 -9.23 -10.87 47.13 -9.43 -10.79 1 0 13.80 -999 ? O2 EDO C 204 >LYS.C 51 49.28 -7.28 -9.12 52.52 -11.90 -9.10 50.90 -9.59 -9.11 2 0 13.36 -999 ? O2 EDO C 204 >HIS^C 52 47.74 -2.88 -5.20 47.03 -1.00 -4.61 47.39 -1.94 -4.90 3 0 5.50 -999 ? O1 EDO C 204 >VAL^C 53 51.91 -1.91 -7.71 53.18 -2.52 -9.41 52.54 -2.22 -8.56 3 0 7.77 -999 ? O2 EDO C 204 >THR^C 54 52.90 1.33 -6.01 51.81 2.07 -4.30 52.35 1.70 -5.15 2 0 -3.82 -999 ? C1 EDO C 204s >SER^C 55 56.03 3.21 -7.13 55.95 1.78 -9.10 55.99 2.49 -8.11 2 0 9.73 -999 ? C1 EDO C 204 >VAL^C 56 57.37 6.14 -5.20 57.48 6.41 -3.02 57.43 6.27 -4.11 3 0 9.01 -999 ? C1 EDO C 204 >GLU^C 57 59.24 9.21 -9.95 61.30 8.61 -10.08 60.27 8.91 -10.01 2 0 9.71 -999 ? C1 EDO C 206 >SER.C 58 60.93 11.94 -6.71 63.28 11.28 -6.82 62.10 11.61 -6.76 2 0 11.26 -999 ? C2 EDO C 206 >ASP~C 59 62.19 12.57 -11.27 62.47 13.66 -13.06 62.33 13.11 -12.16 2 0 6.44 -999 ? O2 EDO C 208 >ARG~C 60 55.42 17.66 -10.50 55.54 20.71 -10.25 55.48 19.19 -10.38 2 0 -4.32 -999 ? C1 EDO C 208s >ALA~C 61 58.62 15.03 -14.98 59.74 15.90 -15.66 59.18 15.47 -15.32 2 0 3.92 -999 ? O2 EDO C 208 >TRP~C 62 60.85 8.35 -13.55 62.16 7.21 -17.05 61.51 7.78 -15.30 3 0 10.52 -999 ? C1 EDO C 206 >ALA~C 63 56.58 10.37 -12.94 56.17 10.98 -11.59 56.38 10.67 -12.27 2 0 4.01 -999 ? C1 EDO C 206 >ARG~C 64 53.74 15.65 -17.24 55.39 17.58 -15.41 54.56 16.61 -16.32 2 0 -3.21 -999 ? O1 EDO C 208s >MET?C 65 56.19 10.24 -18.32 59.97 11.72 -19.75 58.08 10.98 -19.04 2 0 9.37 -999 ? O1 EDO C 208 >MET?C 66 55.63 6.96 -16.54 58.29 4.91 -16.03 56.96 5.93 -16.28 2 0 8.58 -999 ? O1 EDO C 207 >LYS~C 67 51.94 7.76 -16.10 50.94 11.43 -11.13 51.44 9.60 -13.61 2 0 -3.19 -999 ? C2 EDO C 206s >ALA~C 68 51.68 8.65 -19.81 52.43 9.80 -20.50 52.06 9.22 -20.15 2 0 8.43 -999 ? O1 EDO C 206 >TRP~C 69 55.78 3.83 -22.49 55.18 0.31 -20.95 55.48 2.07 -21.72 3 0 7.20 -999 ? O1 EDO C 207 >LEU~C 70 50.99 3.42 -17.04 52.16 2.22 -15.68 51.58 2.82 -16.36 3 0 10.91 -999 ? O1 EDO C 207 >ALA~C 71 48.03 5.13 -20.10 47.79 6.68 -20.11 47.91 5.90 -20.11 2 0 10.03 -999 ? C3 GOL C 209 >ALA~C 72 49.24 4.28 -23.56 50.40 5.04 -24.21 49.82 4.66 -23.88 2 0 9.45 -999 ? O1 GOL C 209 >ASN~C 73 51.70 0.55 -22.52 52.59 1.32 -24.25 52.14 0.94 -23.39 2 0 10.01 -999 ? O1 EDO C 207 >PRO.C 74 46.13 0.26 -21.35 48.12 -0.22 -20.44 47.13 0.02 -20.90 3 0 11.10 -999 ? O3 GOL C 209 >PRO.C 75 48.79 -1.15 -15.75 48.60 -2.42 -17.56 48.69 -1.79 -16.65 3 0 12.18 -999 ? O1 EDO C 207 >ALA.C 76 47.87 -6.67 -17.49 48.79 -7.83 -17.14 48.33 -7.25 -17.31 2 0 12.18 -999 ? O2 EDO C 207 >GLY.C 78 43.73 -7.44 -12.79 44.33 -7.04 -13.14 44.03 -7.24 -12.97 1 0 15.64 -999 ? O2 EDO C 204 >THR.C 79 46.81 -5.28 -12.23 48.84 -5.90 -12.67 47.82 -5.59 -12.45 2 0 12.99 -999 ? O2 EDO C 204 >GLU^C 80 45.82 0.03 -9.39 44.70 0.26 -7.57 45.26 0.15 -8.48 2 0 8.61 -999 ? O1 EDO C 204 >VAL^C 81 49.88 0.54 -11.01 51.59 0.13 -12.29 50.74 0.34 -11.65 3 0 10.91 -999 ? C1 EDO C 204 >ASN^C 82 49.31 3.79 -7.70 47.30 3.11 -7.86 48.31 3.45 -7.78 2 0 8.12 -999 ? O1 EDO C 204 >ILE^C 83 53.37 6.62 -11.10 54.69 5.97 -11.49 54.03 6.30 -11.30 3 0 7.57 -999 ? C1 EDO C 206 >VAL^C 84 53.27 8.36 -6.67 52.34 7.73 -4.79 52.81 8.05 -5.73 3 0 7.70 -999 ? C2 EDO C 206 >TRP^C 85 57.34 13.70 -7.96 55.74 17.14 -6.99 56.54 15.42 -7.48 3 0 -5.11 -999 ? C2 EDO C 206s >THR.C 86 56.69 12.51 -3.83 56.69 10.98 -2.36 56.69 11.74 -3.09 2 0 9.65 -999 ? C2 EDO C 206 >ASP.C 87 56.83 17.23 -3.47 57.58 19.13 -3.99 57.21 18.18 -3.73 2 0 7.50 -999 ? C1 EDO C 202 >ILE.C 88 62.34 15.35 -2.20 62.80 14.00 -2.49 62.57 14.68 -2.34 3 0 9.32 -999 ? C1 EDO C 202 >GLY.C 89 61.80 19.77 -4.27 61.77 19.02 -4.66 61.79 19.40 -4.47 1 0 7.89 -999 ? C1 EDO C 202 >PRO.C 90 63.10 22.71 -7.17 62.99 20.46 -7.08 63.05 21.59 -7.12 3 0 7.52 -999 ? C2 EDO C 208 >THR.C 91 65.28 17.46 -8.93 63.77 15.88 -8.64 64.53 16.67 -8.78 2 0 7.58 -999 ? O2 EDO C 208 >GLY~C 92 68.11 16.68 -11.28 67.75 16.01 -10.92 67.93 16.34 -11.10 1 0 9.12 -999 ? O2 EDO C 208 >ASP~C 93 71.46 13.39 -12.43 72.08 14.10 -14.34 71.77 13.74 -13.38 2 0 13.33 -999 ? O2 EDO C 208 >TRP~C 94 71.93 9.51 -11.61 70.31 6.64 -13.77 71.12 8.07 -12.69 3 0 15.97 -999 ? C1 EDO C 207 >GLY~C 95 65.72 12.14 -9.07 66.56 12.24 -8.88 66.14 12.19 -8.98 1 0 10.62 -999 ? O2 EDO C 208 >HIS.C 96 70.55 12.70 -6.35 71.61 11.14 -5.43 71.08 11.92 -5.89 3 0 11.57 -999 ? O2 EDO C 203 >PRO.C 97 67.24 15.99 -3.18 67.42 16.34 -5.39 67.33 16.16 -4.28 3 0 8.67 -999 ? O2 EDO C 203 >VAL.C 98 68.99 20.05 -6.79 68.70 21.14 -8.62 68.84 20.60 -7.70 3 0 7.75 -999 ? O2 EDO C 203 >SER.C 99 69.39 21.62 -3.35 67.89 23.51 -3.18 68.64 22.57 -3.26 2 0 -4.21 -999 ? O1 EDO C 203s >ASP.C 100 69.36 20.80 1.35 70.32 22.53 2.01 69.84 21.67 1.68 2 0 -3.30 -999 ? O1 EDO C 203s >ALA.C 101 65.57 23.60 -0.12 65.10 24.27 -1.42 65.34 23.94 -0.77 2 0 5.76 -999 ? O1 EDO C 203 >LYS~C 102 62.86 21.07 0.74 57.62 21.02 -0.36 60.24 21.04 0.19 2 0 -3.67 -999 ? C1 EDO C 202s >TRP~C 103 66.10 21.97 4.67 65.05 21.20 8.37 65.57 21.58 6.52 3 0 6.77 -999 ? O1 EDO C 202 >ARG~C 104 61.01 22.69 7.12 63.06 24.93 6.94 62.04 23.81 7.03 2 0 5.42 -999 ? O1 EDO C 202 >SER~C 105 59.85 16.99 3.20 58.42 18.68 2.27 59.14 17.83 2.74 2 0 -3.03 -999 ? C1 EDO C 202s >TYR~C 106 64.89 15.52 2.13 66.40 17.14 0.45 65.65 16.33 1.29 3 0 8.51 -999 ? C1 EDO C 202 >PRO~C 107 61.92 13.37 6.89 61.43 12.46 4.88 61.68 12.91 5.88 3 0 9.46 -999 ? O2 EDO C 202 >ASP~C 108 57.37 12.84 2.30 56.61 14.39 3.50 56.99 13.61 2.90 2 0 7.17 -999 ? O2 EDO C 202 >TYR~C 109 61.64 9.40 -1.47 62.41 7.86 -3.66 62.02 8.63 -2.56 3 0 13.25 -999 ? C2 EDO C 206 >PRO~C 110 62.14 8.02 3.93 60.76 7.42 2.27 61.45 7.72 3.10 3 0 12.74 -999 ? C2 EDO C 204 >LEU~C 111 58.01 7.76 6.18 59.29 7.23 7.87 58.65 7.50 7.03 3 0 12.45 -999 ? C2 EDO C 204 >ALA~C 112 54.59 8.55 3.43 54.44 9.80 2.56 54.51 9.17 2.99 2 0 10.10 -999 ? C1 EDO C 204 >VAL~C 113 53.60 5.50 1.35 54.65 3.98 0.02 54.12 4.74 0.69 3 0 5.15 -999 ? C1 EDO C 204 >TRP~C 114 56.61 2.86 4.29 56.13 -1.02 4.15 56.37 0.92 4.22 3 0 6.31 -999 ? C2 EDO C 204 >ARG~C 115 51.56 5.68 8.19 49.66 4.53 10.29 50.61 5.11 9.24 2 0 11.55 -999 ? O1 EDO C 204 >THR~C 116 48.73 5.84 2.17 48.93 4.86 0.26 48.83 5.35 1.22 2 0 -4.48 -999 ? O1 EDO C 204s >GLY.C 118 44.00 2.29 0.80 44.75 2.53 1.14 44.38 2.41 0.97 1 0 6.07 -999 ? O1 EDO C 204 >PHE.C 119 49.10 0.39 3.70 51.26 -1.22 4.43 50.18 -0.42 4.07 3 0 -4.63 -999 ? C2 EDO C 204s >ARG.C 120 45.60 -3.41 -1.75 45.41 -6.12 -3.13 45.51 -4.76 -2.43 2 0 -8.28 -999 ? O1 EDO C 204s >HIS.C 121 51.87 -5.73 4.78 53.69 -6.06 5.78 52.78 -5.89 5.28 3 0 7.66 -999 ? O2 EDO C 204 >PRO.C 122 54.66 -3.31 1.13 53.18 -5.02 0.93 53.92 -4.17 1.03 3 0 3.93 -999 ? O2 EDO C 204 >ASP.C 123 54.16 -9.79 -1.25 52.13 -10.09 -0.78 53.14 -9.94 -1.02 2 0 8.68 -999 ? O2 EDO C 204 >VAL^C 124 57.94 -7.51 -1.95 58.62 -7.81 -4.00 58.28 -7.66 -2.97 3 0 9.21 -999 ? O2 EDO C 204 >VAL^C 125 59.77 -4.16 -1.71 59.50 -2.92 0.09 59.63 -3.54 -0.81 3 0 8.07 -999 ? O2 EDO C 204 >LEU^C 126 61.96 -2.88 -5.75 63.44 -2.75 -7.34 62.70 -2.81 -6.54 3 0 12.33 -999 ? O2 EDO C 204 >VAL^C 127 64.71 -0.20 -3.11 65.35 0.25 -1.04 65.03 0.03 -2.07 3 0 13.19 -999 ? C2 EDO C 204 >ASP.C 128 65.38 0.50 -7.47 66.61 0.44 -9.18 66.00 0.47 -8.32 2 0 11.78 -999 ? C1 EDO C 207 >GLY.C 129 65.57 5.14 -5.88 66.13 4.83 -5.37 65.85 4.98 -5.63 1 0 15.66 -999 ? C2 EDO C 204 >ARG.C 130 67.99 10.08 -5.24 70.13 7.98 -5.83 69.06 9.03 -5.54 2 0 15.31 -999 ? O2 EDO C 203 >PHE~C 131 65.79 9.75 0.69 65.46 12.46 0.22 65.62 11.11 0.45 3 0 12.54 -999 ? C1 EDO C 202 >ARG~C 132 69.42 2.90 -3.59 69.57 2.31 -6.60 69.49 2.61 -5.09 2 0 15.86 -999 ? C1 EDO C 207 >VAL~C 133 69.05 3.03 3.31 70.93 2.91 4.40 69.99 2.97 3.85 3 0 18.71 -999 ? C2 EDO C 204 >GLY~C 134 66.15 5.06 4.70 66.11 4.45 4.14 66.13 4.76 4.42 1 0 15.87 -999 ? C2 EDO C 204 >CYH~C 135 63.63 3.24 2.55 63.44 4.80 0.22 63.54 4.02 1.38 2 0 12.49 -999 ? C2 EDO C 204 >ALA~C 136 65.07 -0.09 3.69 66.55 -0.55 3.48 65.81 -0.32 3.59 2 0 15.03 -999 ? C2 EDO C 204 >LEU~C 137 65.72 1.92 8.08 67.71 1.29 8.80 66.71 1.61 8.44 3 0 17.09 -999 ? C1 EDO D 206 >ALA~C 138 61.35 2.48 6.82 60.93 3.52 5.75 61.14 3.00 6.28 2 0 11.35 -999 ? C2 EDO C 204 >THR~C 139 60.30 -0.94 5.50 60.37 -1.92 3.57 60.33 -1.43 4.53 2 0 9.35 -999 ? C2 EDO C 204 >ALA~C 140 61.83 -2.91 8.39 63.33 -2.95 8.78 62.58 -2.93 8.58 2 0 14.73 -999 ? C2 EDO C 204 >PHE~C 141 62.19 0.51 11.88 64.87 0.26 12.66 63.53 0.38 12.27 3 0 13.89 -999 ? O1 EDO D 206 >SER~C 142 56.79 -0.39 9.24 57.26 1.82 8.45 57.03 0.71 8.85 2 0 10.31 -999 ? C2 EDO C 204 >ILE~C 143 56.81 -4.90 7.35 57.97 -5.42 6.77 57.39 -5.16 7.06 3 0 10.33 -999 ? C2 EDO C 204 >THR.C 144 53.63 -6.09 10.24 51.87 -4.89 10.18 52.75 -5.49 10.21 2 0 11.40 -999 ? C2 EDO C 204 >ARG.C 145 51.66 -10.26 5.96 51.98 -9.68 2.97 51.82 -9.97 4.46 2 0 9.12 -999 ? O2 EDO C 204 >PRO.C 146 57.48 -12.39 8.15 56.98 -10.49 7.09 57.23 -11.44 7.62 3 0 14.19 -999 ? O2 EDO C 204 >VAL^C 147 58.56 -9.26 3.26 58.13 -7.10 3.54 58.34 -8.18 3.40 3 0 10.30 -999 ? O2 EDO C 204 >THR^C 148 61.28 -9.75 0.69 61.74 -11.30 -0.76 61.51 -10.52 -0.04 2 0 13.99 -999 ? O2 EDO C 204 >LEU^C 149 63.72 -5.71 1.31 64.60 -3.72 1.39 64.16 -4.72 1.35 3 0 12.94 -999 ? O2 EDO C 204 >LEU^C 150 64.75 -6.47 -4.33 64.32 -8.53 -4.93 64.53 -7.50 -4.63 3 0 14.56 -999 ? O2 EDO C 204 >PHE^C 151 69.32 -2.21 -0.90 70.40 0.18 0.00 69.86 -1.02 -0.45 3 0 17.90 -999 ? C2 EDO C 204 >ASP.C 152 68.93 -1.76 -7.09 69.98 -1.31 -8.86 69.45 -1.54 -7.98 2 0 13.40 -999 ? C1 EDO C 207 >ASP.C 153 73.46 -0.58 -6.98 75.37 -0.10 -7.77 74.42 -0.34 -7.38 2 0 18.06 -999 ? C1 EDO C 207 >TYR.C 154 73.49 -4.08 -0.52 73.89 -4.29 2.22 73.69 -4.18 0.85 3 0 22.08 -999 ? O2 EDO C 204 >SER.C 155 77.68 -2.76 -1.53 78.26 -0.41 -1.91 77.97 -1.58 -1.72 2 0 23.49 -999 ? O2 EDO C 203 >ARG~C 157 77.80 2.15 -0.18 77.51 5.17 -0.60 77.66 3.66 -0.39 2 0 17.91 -999 ? O2 EDO C 203 >ARG~C 158 83.26 3.16 5.42 83.28 3.18 2.35 83.27 3.17 3.88 2 0 22.27 -999 ? O2 EDO C 203 >TRP~C 159 74.48 5.13 2.55 73.60 7.41 5.65 74.04 6.27 4.10 3 0 16.98 -999 ? O2 EDO C 203 >GLN~C 160 74.85 1.38 0.59 74.74 0.73 -1.39 74.80 1.05 -0.40 2 0 21.75 -999 ? O2 EDO C 203 >GLN~C 162 73.22 1.89 7.73 73.38 4.02 7.86 73.30 2.95 7.79 2 0 18.70 -999 ? C1 EDO D 206 >VAL~C 163 71.01 -2.00 7.17 70.89 -1.77 4.95 70.95 -1.89 6.06 3 0 20.04 -999 ? C2 EDO C 204 >GLU~C 164 73.75 -5.90 6.23 75.43 -6.91 5.52 74.59 -6.41 5.88 2 0 23.82 -999 ? O2 EDO D 206 >GLU~C 165 71.33 -3.84 14.00 71.80 -2.16 15.20 71.57 -3.00 14.60 2 0 12.45 -999 ? O2 EDO D 206 >PHE~C 166 67.67 -2.38 11.90 68.64 -0.69 13.87 68.16 -1.54 12.89 3 0 13.71 -999 ? O2 EDO D 206 >LEU~C 167 67.58 -5.85 6.36 66.80 -3.93 5.78 67.19 -4.89 6.07 3 0 17.11 -999 ? C2 EDO C 204 >GLY~C 168 69.92 -9.22 8.40 69.95 -8.65 7.82 69.93 -8.94 8.11 1 0 21.17 -999 ? O2 EDO D 206 >ALA.C 169 72.52 -10.61 6.01 73.43 -11.79 6.37 72.98 -11.20 6.19 2 0 24.86 -999 ? O2 EDO D 206 >PRO.C 170 73.30 -8.86 1.98 71.98 -10.37 2.97 72.64 -9.61 2.48 3 0 22.59 -999 ? O2 EDO C 204 >LEU^C 171 70.49 -13.96 -0.81 70.51 -15.73 -2.11 70.50 -14.85 -1.46 3 0 22.37 -999 ? C2 EDO C 207 >MET?C 172 73.69 -11.44 -3.12 74.61 -8.78 -1.57 74.15 -10.11 -2.34 2 0 22.30 -999 ? C2 EDO C 207 >ILE^C 173 71.09 -12.03 -7.07 70.19 -12.42 -6.84 70.64 -12.23 -6.95 3 0 17.02 -999 ? C2 EDO C 207 >GLY.C 174 75.37 -10.08 -8.48 74.98 -10.01 -7.73 75.18 -10.05 -8.11 1 0 18.21 -999 ? C2 EDO C 207 >ARG.C 175 74.56 -3.79 -9.85 72.30 -2.76 -11.65 73.43 -3.28 -10.75 2 0 13.00 -999 ? C1 EDO C 207 >LEU^C 176 70.47 -7.49 -6.98 68.36 -7.14 -7.06 69.42 -7.31 -7.02 3 0 14.73 -999 ? C2 EDO C 207 >ALA^C 177 70.85 -7.79 -2.33 71.39 -6.89 -1.20 71.12 -7.34 -1.76 2 0 20.29 -999 ? O2 EDO C 204 >ALA^C 178 67.82 -9.88 -1.36 67.43 -11.12 -2.10 67.63 -10.50 -1.73 2 0 18.40 -999 ? O2 EDO C 204 >PHE^C 179 68.15 -7.63 2.90 70.45 -6.07 2.63 69.30 -6.85 2.77 3 0 18.63 -999 ? O2 EDO C 204 >GLN^C 180 62.63 -13.67 4.55 61.36 -13.48 2.79 62.00 -13.57 3.67 2 0 15.79 -999 ? O2 EDO C 204 >VAL^C 181 62.86 -8.79 6.46 63.23 -6.73 5.86 63.04 -7.76 6.16 3 0 14.66 -999 ? O2 EDO C 204 >GLU.C 182 62.31 -11.64 10.09 60.95 -13.19 9.97 61.63 -12.41 10.03 2 0 18.41 -999 ? O2 EDO C 204 >PRO.C 183 56.99 -8.16 10.98 59.11 -7.52 11.23 58.05 -7.84 11.11 3 0 14.93 -999 ? O2 EDO C 204 >GLN.C 184 62.58 -4.46 13.27 64.39 -5.16 12.47 63.48 -4.81 12.87 2 0 15.78 -999 ? O2 EDO D 206 >PRO.C 185 61.31 -4.03 18.47 60.66 -3.06 16.57 60.99 -3.54 17.52 3 0 11.75 -999 ? O1 EDO D 206 >ILE.C 186 61.69 2.21 16.13 61.31 3.28 15.29 61.50 2.74 15.71 3 0 10.70 -999 ? O1 EDO D 206 >PRO~C 187 66.46 -0.32 17.51 64.90 1.03 18.39 65.68 0.35 17.95 3 0 8.38 -999 ? O1 EDO D 206 >PRO~C 188 64.39 3.56 22.56 65.22 3.86 20.51 64.80 3.71 21.53 3 0 -4.14 -999 ? O1 EDO D 206s >GLY~C 189 69.01 4.64 20.80 68.57 4.60 20.11 68.79 4.62 20.45 1 0 5.10 -999 ? C1 EDO D 206 >SER~C 190 69.12 4.62 17.01 69.68 2.30 16.82 69.40 3.46 16.91 2 0 9.24 -999 ? C1 EDO D 206 >LEU~C 191 65.98 8.30 17.36 63.87 7.90 17.57 64.93 8.10 17.47 3 0 8.89 -999 ? C1 EDO D 206 >MET?C 192 69.60 10.05 15.22 72.11 12.02 18.08 70.86 11.04 16.65 2 0 10.98 -999 ? O1 EDO D 212 >GLN~C 193 71.75 5.14 11.93 72.12 3.07 12.35 71.93 4.11 12.14 2 0 14.12 -999 ? C1 EDO D 206 >LEU~C 194 66.29 6.20 12.45 64.68 4.89 11.79 65.48 5.55 12.12 3 0 13.31 -999 ? C1 EDO D 206 >ILE~C 195 66.63 11.42 11.99 65.88 12.43 12.74 66.26 11.92 12.37 3 0 14.87 -999 ? O2 EDO C 202 >ARG~C 196 72.30 12.83 9.09 71.80 13.85 6.24 72.05 13.34 7.67 2 0 11.26 -999 ? O2 EDO C 203 >THR~C 197 69.05 7.91 6.73 68.94 6.03 7.77 69.00 6.97 7.25 2 0 17.77 -999 ? C1 EDO D 206 >MET?C 198 65.61 9.24 5.90 62.85 7.08 8.21 64.23 8.16 7.05 2 0 15.52 -999 ? C2 EDO C 204 >THR~C 199 67.11 12.61 5.10 66.95 13.56 7.07 67.03 13.09 6.09 2 0 11.92 -999 ? C1 EDO C 202 >SER.C 200 70.08 11.57 2.96 71.52 11.04 4.87 70.80 11.31 3.91 2 0 12.83 -999 ? O2 EDO C 203 >PRO.C 201 69.06 13.78 -0.66 69.25 11.61 -0.05 69.16 12.69 -0.36 3 0 10.25 -999 ? O2 EDO C 203 >GLN.D 8 73.20 40.00 39.37 74.80 40.00 40.77 74.00 40.00 40.07 2 0 9.18 -999 ? O2 EDO D 205 >MET?D 9 75.90 38.84 36.65 78.02 39.75 34.12 76.96 39.29 35.39 2 0 12.45 -999 ? O2 EDO D 205 >ARG.D 10 71.72 35.09 41.13 71.62 32.56 42.78 71.67 33.83 41.96 2 0 -4.16 -999 ? O1 EDO D 205s >PRO.D 11 73.26 32.70 35.21 72.02 34.47 35.80 72.64 33.58 35.51 3 0 -5.51 -999 ? O2 EDO D 205s >LEU.D 13 64.63 31.91 37.06 63.88 29.88 36.70 64.25 30.89 36.88 3 0 4.73 -999 ? C1 EDO D 205 >THR.D 14 62.33 34.20 33.47 63.51 34.88 31.80 62.92 34.54 32.63 2 0 9.07 -999 ? O2 EDO D 205 >MET?D 15 59.43 32.33 34.88 59.98 28.20 35.46 59.71 30.26 35.17 2 0 8.04 -999 ? C2 EDO D 213 >PRO~D 16 55.19 33.31 35.32 57.10 33.60 36.49 56.14 33.46 35.91 3 0 8.40 -999 ? O1 EDO A 204 >PRO~D 17 57.00 35.76 40.97 57.12 33.66 40.12 57.06 34.71 40.55 3 0 -4.66 -999 ? C1 EDO A 204s >ALA~D 18 54.73 30.58 41.17 53.19 30.67 40.87 53.96 30.62 41.02 2 0 -3.74 -999 ? O1 EDO A 204s >GLU~D 19 54.62 29.39 36.24 54.40 30.10 34.26 54.51 29.74 35.25 2 0 10.03 -999 ? O1 EDO A 204 >ALA~D 20 59.79 29.10 39.39 60.56 30.40 39.54 60.17 29.75 39.46 2 0 -3.87 -999 ? O1 EDO D 213s >GLU~D 21 58.49 29.50 44.60 59.90 28.64 45.99 59.20 29.07 45.30 2 0 -3.19 -999 ? O2 EDO A 203s >ALA~D 22 57.19 24.77 41.16 56.10 24.82 40.07 56.65 24.80 40.61 2 0 5.97 -999 ? O2 EDO D 203 >LEU~D 23 61.12 25.19 38.34 62.87 25.05 37.20 61.99 25.12 37.77 3 0 6.65 -999 ? C2 EDO D 213 >ARG~D 24 63.25 26.30 45.89 60.91 25.24 47.57 62.08 25.77 46.73 2 0 -4.89 -999 ? O2 EDO A 203s >MET?D 25 60.22 21.83 44.18 56.58 23.47 45.65 58.40 22.65 44.92 2 0 4.29 -999 ? O4 PG4 D 216 >ALA~D 26 60.63 19.39 41.28 60.19 19.61 39.84 60.41 19.50 40.56 2 0 8.51 -999 ? O2 EDO D 203 >TYR~D 27 65.28 21.55 39.53 65.52 22.16 36.82 65.40 21.85 38.18 3 0 8.92 -999 ? C2 EDO D 213 >GLU~D 28 64.23 21.56 46.30 63.69 22.47 48.09 63.96 22.01 47.19 2 0 7.50 -999 ? O2 EDO A 203 >GLU~D 29 60.59 16.28 45.65 61.35 15.65 47.62 60.97 15.96 46.64 2 0 8.20 -999 ? O5 PG4 D 216 >ALA~D 30 65.14 14.91 41.81 65.11 15.63 40.42 65.13 15.27 41.12 2 0 9.18 -999 ? O2 EDO D 208 >GLU.D 31 70.47 11.98 42.69 70.98 10.07 43.39 70.73 11.03 43.04 2 0 -3.87 -999 ? O2 EDO D 208s >VAL^D 32 69.37 13.65 38.34 70.47 12.03 37.28 69.92 12.84 37.81 3 0 5.22 -999 ? O1 EDO D 204 >ILE^D 33 68.26 18.01 37.15 67.86 19.13 37.87 68.06 18.57 37.51 3 0 7.87 -999 ? O1 EDO D 204 >LEU^D 34 67.82 15.91 31.65 68.45 15.72 29.52 68.13 15.82 30.58 3 0 4.31 -999 ? C1 EDO D 204 >GLU^D 35 68.06 21.78 33.26 68.72 23.68 33.99 68.39 22.73 33.63 2 0 10.02 -999 ? C2 EDO D 205 >TYR^D 36 66.18 19.60 26.38 66.30 16.86 25.81 66.24 18.23 26.10 3 0 8.98 -999 ? C1 EDO D 204 >GLY.D 37 68.04 25.23 27.70 68.35 24.67 28.25 68.20 24.95 27.98 1 0 13.34 -999 ? C1 EDO D 204 >SER.D 38 70.40 26.71 30.32 72.51 27.38 29.30 71.46 27.05 29.81 2 0 9.54 -999 ? C1 EDO D 210 >GLY~D 39 70.10 29.81 32.49 69.99 29.13 32.98 70.04 29.47 32.73 1 0 7.55 -999 ? C2 EDO D 205 >GLY~D 40 68.36 30.73 35.71 68.36 30.03 35.32 68.36 30.38 35.52 1 0 -3.99 -999 ? C2 EDO D 205s >SER~D 41 66.87 27.23 36.05 66.79 26.20 33.87 66.83 26.72 34.96 2 0 8.25 -999 ? C2 EDO D 205 >THR~D 42 70.39 25.81 36.01 71.63 25.48 34.31 71.01 25.65 35.16 2 0 9.00 -999 ? C2 EDO D 205 >VAL~D 43 71.42 28.09 38.89 72.02 30.19 39.02 71.72 29.14 38.96 3 0 4.53 -999 ? C2 EDO D 205 >VAL~D 44 68.43 26.87 40.86 66.20 27.11 40.89 67.32 26.99 40.87 3 0 4.61 -999 ? C2 EDO D 213 >ALA~D 45 69.68 23.27 40.33 69.77 22.51 38.98 69.72 22.89 39.66 2 0 8.83 -999 ? O2 EDO D 202 >ALA~D 46 73.26 24.26 41.08 74.06 25.32 40.27 73.66 24.79 40.67 2 0 -3.67 -999 ? O2 EDO D 202s >GLU~D 47 72.59 28.10 43.95 71.93 30.09 44.01 72.26 29.09 43.98 2 0 -3.62 -999 ? O1 EDO D 202s >LEU.D 48 69.39 21.99 45.00 67.30 22.69 45.04 68.34 22.34 45.02 3 0 8.90 -999 ? C2 EDO D 213 >PRO.D 49 71.77 20.07 49.18 72.40 20.32 47.04 72.09 20.19 48.11 3 0 9.38 -999 ? O2 EDO D 208 >GLY.D 50 73.37 16.32 45.84 73.15 16.87 45.32 73.26 16.60 45.58 1 0 -4.83 -999 ? O2 EDO D 208s >LYS.D 51 72.29 16.85 42.18 67.69 17.20 44.98 69.99 17.03 43.58 2 0 -7.75 -999 ? O2 EDO D 208s >HIS^D 52 74.61 13.89 37.33 75.88 13.61 35.69 75.24 13.75 36.51 3 0 -4.44 -999 ? O1 EDO D 208s >VAL^D 53 72.72 18.29 36.33 71.94 20.17 37.19 72.33 19.23 36.76 3 0 7.60 -999 ? O1 EDO D 204 >THR^D 54 73.12 18.30 32.56 73.80 16.54 31.45 73.46 17.42 32.01 2 0 -3.72 -999 ? C2 EDO D 204s >SER^D 55 72.04 21.28 30.50 71.30 23.60 30.74 71.67 22.44 30.62 2 0 10.61 -999 ? C2 EDO D 204 >VAL^D 56 71.73 21.25 26.68 70.96 19.65 25.37 71.35 20.45 26.03 3 0 9.01 -999 ? C2 EDO D 204 >GLU^D 57 73.47 26.93 25.77 71.58 27.83 25.74 72.52 27.38 25.75 2 0 9.71 -999 ? C1 EDO D 210 >SER.D 58 72.46 25.79 21.54 70.35 26.94 21.15 71.40 26.37 21.34 2 0 11.69 -999 ? C1 EDO D 210 >ASP~D 59 73.30 30.32 22.76 74.19 32.24 22.62 73.75 31.28 22.69 2 0 6.95 -999 ? C1 EDO D 214 >ARG~D 60 81.10 27.69 20.40 81.89 28.20 17.48 81.49 27.94 18.94 2 0 4.20 -999 ? O2 EDO D 214s >ALA~D 61 78.60 32.12 23.72 78.42 33.48 22.98 78.51 32.80 23.35 2 0 -3.65 -999 ? O1 EDO D 214s >TRP~D 62 72.85 30.46 27.72 72.79 33.62 30.01 72.82 32.04 28.86 3 0 10.53 -999 ? C1 EDO D 210 >ALA~D 63 77.21 28.18 27.20 77.42 27.03 26.22 77.32 27.61 26.71 2 0 3.88 -999 ? C1 EDO D 210 >ARG~D 64 83.57 31.60 25.98 82.67 31.38 23.02 83.12 31.49 24.50 2 0 -3.24 -999 ? O2 EDO D 214s >MET?D 65 79.13 32.39 30.06 77.53 35.92 28.33 78.33 34.16 29.19 2 0 8.87 -999 ? O1 EDO D 214 >MET?D 66 77.25 29.77 32.06 73.94 30.31 32.55 75.59 30.04 32.31 2 0 9.09 -999 ? C2 EDO D 205 >LYS~D 67 80.42 27.76 32.52 81.50 24.00 27.70 80.96 25.88 30.11 2 0 -3.32 -999 ? O2 EDO D 210s >ALA~D 68 82.38 30.84 33.63 82.65 32.14 32.79 82.51 31.49 33.21 2 0 8.28 -999 ? O1 EDO D 210 >TRP~D 69 77.33 33.90 37.36 75.63 31.28 39.70 76.48 32.59 38.53 3 0 -5.80 -999 ? O1 EDO D 202s >LEU~D 70 79.13 26.89 36.77 77.08 26.18 36.62 78.10 26.54 36.70 3 0 -3.80 -999 ? O1 EDO D 207s >ALA~D 71 83.45 28.28 37.86 84.46 28.52 36.76 83.96 28.40 37.31 2 0 6.70 -999 ? O1 EDO D 207 >ALA~D 72 83.13 31.52 39.89 82.75 32.83 39.23 82.94 32.17 39.56 2 0 8.70 -999 ? O2 EDO D 202 >ASN~D 73 78.86 31.02 41.40 79.20 33.11 41.24 79.03 32.07 41.32 2 0 -5.35 -999 ? O1 EDO D 202s >PRO.D 74 82.74 27.18 43.23 80.63 27.28 42.47 81.69 27.23 42.85 3 0 -5.62 -999 ? O2 EDO D 202s >PRO.D 75 77.96 23.59 40.69 78.17 24.64 42.63 78.07 24.12 41.66 3 0 -4.17 -999 ? O2 EDO D 202s >ALA.D 76 76.37 23.19 46.28 74.92 23.22 46.73 75.65 23.21 46.50 2 0 5.66 -999 ? C2 EDO D 202 >GLU.D 77 78.03 18.58 50.04 80.03 18.04 49.64 79.03 18.31 49.84 2 0 9.80 -999 ? C1 EDO D 208 >GLY.D 78 77.59 17.01 46.14 77.47 17.73 45.75 77.53 17.37 45.94 1 0 -5.64 -999 ? C1 EDO D 208s >THR.D 79 76.29 18.75 42.97 74.47 19.98 42.84 75.38 19.36 42.90 2 0 6.51 -999 ? C1 EDO D 208 >GLU^D 80 78.91 17.15 37.70 79.69 15.21 37.27 79.30 16.18 37.48 2 0 -4.88 -999 ? O1 EDO D 208s >VAL^D 81 76.65 20.73 36.60 75.41 22.56 36.98 76.03 21.65 36.79 3 0 4.44 -999 ? C1 EDO D 207 >ASN^D 82 77.69 18.51 32.59 78.88 17.40 33.94 78.28 17.96 33.26 2 0 5.85 -999 ? O2 EDO D 207 >ILE^D 83 77.14 24.09 30.47 75.92 24.85 30.75 76.53 24.47 30.61 3 0 7.06 -999 ? O1 EDO D 207 >VAL^D 84 76.63 20.83 26.99 76.46 18.65 26.91 76.54 19.74 26.95 3 0 7.66 -999 ? O2 EDO D 210 >TRP^D 85 76.66 25.43 21.86 79.37 24.71 19.10 78.01 25.07 20.48 3 0 5.30 -999 ? C2 EDO D 210 >THR.D 86 75.16 21.33 21.23 73.79 19.78 21.83 74.48 20.56 21.53 2 0 9.80 -999 ? O2 EDO D 210 >ASP.D 87 77.29 22.34 17.08 77.81 23.61 15.47 77.55 22.98 16.27 2 0 9.59 -999 ? C2 EDO D 214 >ILE.D 88 71.55 23.64 16.18 70.60 23.71 17.28 71.08 23.68 16.73 3 0 12.96 -999 ? C2 EDO D 214 >GLY.D 89 74.86 26.31 13.65 74.63 26.40 14.43 74.75 26.36 14.04 1 0 9.76 -999 ? C2 EDO D 214 >PRO.D 90 76.29 30.21 12.31 75.16 29.38 14.05 75.73 29.80 13.18 3 0 7.96 -999 ? C2 EDO D 214 >THR.D 91 72.35 31.20 16.66 72.83 29.89 18.29 72.59 30.54 17.48 2 0 8.20 -999 ? C2 EDO D 214 >GLY~D 92 70.50 34.41 17.41 70.31 33.72 17.87 70.41 34.07 17.64 1 0 10.12 -999 ? C1 EDO D 214 >ASP~D 93 66.63 36.16 19.74 67.24 38.15 19.41 66.93 37.16 19.57 2 0 13.94 -999 ? C1 EDO D 214 >TRP~D 94 63.94 34.51 21.62 63.89 35.47 25.44 63.92 34.99 23.53 3 0 16.41 -999 ? O2 EDO D 205 >GLY~D 95 69.42 30.21 20.89 68.76 30.48 20.46 69.09 30.34 20.67 1 0 11.44 -999 ? C1 EDO D 214 >HIS.D 96 65.05 30.36 17.27 63.08 29.67 17.42 64.06 30.02 17.35 3 0 16.48 -999 ? O1 EDO C 202 >PRO.D 97 68.25 27.09 14.39 69.10 29.04 15.12 68.68 28.06 14.76 3 0 13.35 -999 ? C2 EDO D 214 >VAL.D 98 70.10 31.99 12.27 71.58 33.60 12.26 70.84 32.79 12.27 3 0 11.95 -999 ? C2 EDO D 214 >SER.D 99 69.45 29.76 9.23 71.52 29.32 8.02 70.48 29.54 8.62 2 0 9.55 -999 ? O1 EDO C 203 >ASP.D 100 67.41 25.65 7.78 67.19 26.13 5.73 67.30 25.89 6.75 2 0 7.17 -999 ? O1 EDO C 203 >ALA.D 101 72.35 25.70 7.39 73.48 26.72 7.61 72.92 26.21 7.50 2 0 8.54 -999 ? C2 EDO C 203 >LYS~D 102 73.11 22.97 9.91 78.07 21.39 11.65 75.59 22.18 10.78 2 0 13.19 -999 ? C2 EDO D 214 >TRP~D 103 69.69 21.65 6.18 68.93 17.87 5.48 69.31 19.76 5.83 3 0 7.94 -999 ? C2 EDO C 203 >ARG~D 104 73.17 16.94 6.18 72.82 18.83 3.78 72.99 17.88 4.98 2 0 6.03 -999 ? O2 EDO C 203 >SER~D 105 72.51 18.39 13.07 74.82 18.99 12.73 73.67 18.69 12.90 2 0 13.92 -999 ? C2 EDO C 203 >TYR~D 106 68.14 21.43 13.19 68.42 24.00 12.07 68.28 22.72 12.63 3 0 12.70 -999 ? O1 EDO C 202 >PRO~D 107 67.87 15.31 13.65 68.49 16.58 15.43 68.18 15.94 14.54 3 0 15.36 -999 ? O2 EDO C 202 >ASP~D 108 72.77 16.77 17.71 73.78 15.75 16.19 73.27 16.26 16.95 2 0 14.53 -999 ? O1 EDO D 212 >TYR~D 109 68.79 21.09 20.89 68.12 22.98 22.87 68.45 22.03 21.88 3 0 13.47 -999 ? C2 EDO D 204 >PRO~D 110 65.85 16.80 19.31 67.25 17.09 21.06 66.55 16.95 20.19 3 0 12.72 -999 ? C1 EDO D 204 >LEU~D 111 68.35 12.62 19.76 66.50 11.69 19.03 67.42 12.16 19.40 3 0 9.85 -999 ? C1 EDO D 206 >ALA~D 112 72.34 13.38 21.64 73.31 14.49 21.11 72.82 13.93 21.37 2 0 10.08 -999 ? C2 EDO D 204 >VAL~D 113 72.21 13.73 25.44 70.98 14.80 26.97 71.59 14.26 26.21 3 0 5.09 -999 ? C2 EDO D 204 >TRP~D 114 67.58 12.19 25.24 65.99 10.98 28.62 66.79 11.58 26.93 3 0 -6.24 -999 ? C1 EDO D 204s >ARG~D 115 71.68 7.11 22.67 72.02 4.14 23.38 71.85 5.63 23.02 2 0 -4.19 -999 ? C1 EDO D 212s >THR~D 116 76.13 10.68 26.23 76.06 12.21 27.83 76.09 11.44 27.03 2 0 -4.74 -999 ? O2 EDO D 204s >GLY.D 118 78.52 9.10 31.53 77.91 9.07 30.95 78.21 9.09 31.24 1 0 5.97 -999 ? O2 EDO D 204 >PHE.D 119 72.48 8.20 30.01 69.68 8.42 30.10 71.08 8.31 30.06 3 0 4.30 -999 ? C1 EDO D 212s >ARG.D 120 74.96 9.71 36.96 74.34 10.25 39.84 74.65 9.98 38.40 2 0 -3.11 -999 ? C2 EDO D 208s >HIS.D 121 66.74 7.05 33.52 64.80 7.09 32.73 65.77 7.07 33.12 3 0 -6.16 -999 ? O2 EDO D 215s >PRO.D 122 67.03 12.13 32.38 67.36 11.12 34.35 67.19 11.62 33.36 3 0 3.93 -999 ? O1 EDO D 204 >ASP.D 123 64.77 12.15 38.91 66.04 10.65 39.61 65.41 11.40 39.26 2 0 7.23 -999 ? O1 EDO D 215 >VAL^D 124 63.30 15.29 36.07 62.41 16.80 37.45 62.86 16.05 36.76 3 0 9.44 -999 ? O1 EDO D 204 >VAL^D 125 63.48 16.75 32.59 63.74 15.49 30.77 63.61 16.12 31.68 3 0 7.90 -999 ? O1 EDO D 204 >LEU^D 126 63.73 21.60 32.73 63.04 23.72 32.87 63.39 22.66 32.80 3 0 11.82 -999 ? C2 EDO D 213 >VAL^D 127 61.99 21.49 28.38 60.91 20.36 26.89 61.45 20.93 27.63 3 0 13.15 -999 ? C1 EDO D 204 >ASP.D 128 63.26 25.55 29.69 62.91 27.65 30.12 63.08 26.60 29.91 2 0 11.66 -999 ? C2 EDO D 205 >GLY.D 129 64.98 25.64 25.09 64.20 25.41 24.91 64.59 25.53 25.00 1 0 15.56 -999 ? C1 EDO D 204 >ARG.D 130 65.42 27.63 20.00 62.68 28.65 20.82 64.05 28.14 20.41 2 0 18.28 -999 ? O2 EDO C 202 >PHE~D 131 65.02 21.48 18.22 66.82 22.42 16.31 65.92 21.95 17.27 3 0 14.98 -999 ? O2 EDO C 202 >ARG~D 132 59.87 25.20 24.47 60.56 27.55 26.39 60.22 26.37 25.43 2 0 15.85 -999 ? C2 EDO D 205 >VAL~D 133 58.07 19.25 21.39 56.07 19.21 20.50 57.07 19.23 20.94 3 0 14.02 -999 ? O2 EDO D 211 >GLY~D 134 60.99 17.34 19.98 60.85 17.57 20.76 60.92 17.45 20.37 1 0 14.81 -999 ? O2 EDO D 211 >CYH~D 135 62.72 17.28 23.36 64.51 19.43 23.30 63.61 18.35 23.33 2 0 12.32 -999 ? C1 EDO D 204 >ALA~D 136 59.56 16.16 25.06 58.19 16.94 25.11 58.87 16.55 25.08 2 0 10.45 -999 ? O2 EDO D 211 >LEU~D 137 58.54 13.42 21.24 56.45 13.68 20.70 57.50 13.55 20.97 3 0 10.50 -999 ? O2 EDO D 211 >ALA~D 138 62.75 12.32 22.76 63.97 13.26 22.55 63.36 12.79 22.66 2 0 9.74 -999 ? C1 EDO D 206 >THR~D 139 62.36 11.96 26.50 62.46 13.35 28.15 62.41 12.66 27.32 2 0 9.20 -999 ? C1 EDO D 204 >ALA~D 140 59.14 9.94 26.24 57.85 10.38 25.58 58.49 10.16 25.91 2 0 5.95 -999 ? O2 EDO D 211 >PHE~D 141 59.40 8.03 21.77 56.93 8.76 20.69 58.17 8.40 21.23 3 0 9.31 -999 ? O2 EDO D 211 >SER~D 142 64.17 7.30 25.43 65.26 8.75 23.86 64.72 8.03 24.65 2 0 -4.87 -999 ? C1 EDO D 206s >ILE~D 143 62.42 7.63 30.03 61.35 8.61 30.27 61.88 8.12 30.15 3 0 7.23 -999 ? O1 EDO D 206 >THR.D 144 63.46 3.34 30.65 65.54 2.83 30.30 64.50 3.09 30.48 2 0 -4.73 -999 ? O2 EDO D 206s >ARG.D 145 64.22 4.85 36.78 65.34 7.56 37.68 64.78 6.21 37.23 2 0 6.30 -999 ? C2 EDO D 215 >PRO.D 146 57.90 5.32 35.54 59.61 6.47 34.64 58.75 5.90 35.09 3 0 8.15 -999 ? O2 EDO D 211 >VAL^D 147 60.15 10.72 34.88 61.53 10.84 33.12 60.84 10.78 34.00 3 0 8.87 -999 ? O2 EDO D 211 >THR^D 148 58.67 14.10 35.63 58.00 15.04 37.42 58.33 14.57 36.53 2 0 9.91 -999 ? O2 EDO D 203 >LEU^D 149 58.60 15.91 31.25 58.91 16.84 29.28 58.76 16.37 30.27 3 0 9.41 -999 ? O2 EDO D 211 >LEU^D 150 59.17 20.95 34.07 58.94 20.81 36.23 59.05 20.88 35.15 3 0 10.22 -999 ? O2 EDO D 203 >PHE^D 151 56.56 21.52 27.56 56.61 21.86 24.78 56.59 21.69 26.17 3 0 13.62 -999 ? O1 EDO D 211 >ASP.D 152 59.28 26.48 30.07 59.10 28.61 30.04 59.19 27.54 30.05 2 0 13.27 -999 ? C2 EDO D 213 >ASP.D 153 56.00 29.05 27.72 54.83 30.59 26.89 55.42 29.82 27.31 2 0 13.30 -999 ? C2 EDO B 214 >TYR.D 154 52.16 22.82 27.76 50.87 20.68 26.54 51.52 21.75 27.15 3 0 12.36 -999 ? O1 EDO D 211 >SER.D 155 49.90 25.78 25.56 49.93 26.53 23.25 49.92 26.15 24.40 2 0 12.74 -999 ? C2 EDO B 214 >ARG~D 157 52.04 25.41 20.27 53.55 27.52 18.65 52.79 26.46 19.46 2 0 15.11 -999 ? C2 EDO B 214 >TRP~D 159 55.17 23.15 18.19 55.97 20.65 15.24 55.57 21.90 16.71 3 0 12.05 -999 ? O2 EDO C 202 >GLN~D 160 53.83 23.77 21.95 54.63 25.13 23.38 54.23 24.45 22.67 2 0 16.56 -999 ? C2 EDO B 214 >GLN~D 162 52.71 17.45 18.94 53.63 17.80 17.00 53.17 17.63 17.97 2 0 13.27 -999 ? O2 EDO C 202 >VAL~D 163 52.68 15.74 23.20 53.65 17.56 24.06 53.17 16.65 23.63 3 0 9.93 -999 ? O2 EDO D 211 >GLU~D 164 48.89 16.69 26.36 47.32 17.93 26.98 48.11 17.31 26.67 2 0 9.86 -999 ? O1 EDO D 211 >GLU~D 165 49.52 9.80 21.27 49.38 9.56 19.15 49.45 9.68 20.21 2 0 10.90 -999 ? C2 EDO D 211 >PHE~D 166 53.61 10.02 22.32 53.01 9.29 19.71 53.31 9.66 21.01 3 0 -8.41 -999 ? O2 EDO D 211s >LEU~D 167 53.72 13.70 27.66 55.63 14.28 26.68 54.68 13.99 27.17 3 0 -5.96 -999 ? O2 EDO D 211s >GLY~D 168 49.66 12.13 29.18 50.07 12.77 28.90 49.86 12.45 29.04 1 0 -3.42 -999 ? O1 EDO D 211s >ALA.D 169 47.76 15.05 30.71 46.32 14.94 31.22 47.04 15.00 30.97 2 0 7.17 -999 ? O1 EDO D 211 >PRO.D 170 49.50 19.08 30.66 49.39 17.33 32.05 49.45 18.21 31.36 3 0 8.43 -999 ? O1 EDO D 211 >LEU^D 171 49.76 18.86 37.26 50.00 19.97 39.14 49.88 19.41 38.20 3 0 5.15 -999 ? C1 EDO D 203 >MET?D 172 49.40 23.04 35.32 49.46 22.78 31.92 49.43 22.91 33.62 2 0 11.33 -999 ? C1 EDO D 203 >ILE^D 173 52.30 25.50 38.41 52.62 24.87 38.93 52.46 25.18 38.67 3 0 5.88 -999 ? O2 EDO D 203 >GLY.D 174 50.29 28.84 35.48 50.36 27.99 35.29 50.33 28.41 35.38 1 0 9.33 -999 ? C2 EDO B 204 >ARG.D 175 51.18 30.99 29.63 49.72 33.54 28.65 50.45 32.27 29.14 2 0 8.39 -999 ? C2 EDO B 214 >LEU^D 176 55.08 25.69 34.69 57.05 24.76 35.10 56.07 25.23 34.89 3 0 9.73 -999 ? O2 EDO D 203 >ALA^D 177 53.11 21.95 32.55 52.84 21.55 31.08 52.97 21.75 31.82 2 0 11.57 -999 ? O1 EDO D 211 >ALA^D 178 54.23 19.03 34.72 54.32 19.20 36.25 54.27 19.12 35.49 2 0 7.17 -999 ? O2 EDO D 203 >PHE^D 179 53.62 16.35 30.66 52.59 18.10 28.74 53.11 17.22 29.70 3 0 7.48 -999 ? O1 EDO D 211 >GLN^D 180 54.10 12.57 36.99 53.37 11.87 38.86 53.74 12.22 37.93 2 0 -8.16 -999 ? O1 EDO D 211s >VAL^D 181 55.94 10.18 31.71 56.79 11.33 30.06 56.36 10.75 30.88 3 0 3.84 -999 ? O2 EDO D 211 >GLU.D 182 53.97 6.14 32.56 54.29 5.21 34.41 54.13 5.67 33.48 2 0 -5.34 -999 ? C1 EDO D 211s >PRO.D 183 59.60 3.76 30.95 58.10 4.72 29.58 58.85 4.24 30.26 3 0 6.84 -999 ? O2 EDO D 211 >GLN.D 184 56.29 5.75 25.16 54.77 7.16 25.51 55.53 6.45 25.33 2 0 -4.25 -999 ? O2 EDO D 211s >PRO.D 185 55.65 0.83 22.58 57.29 2.33 22.92 56.47 1.58 22.75 3 0 9.64 -999 ? O1 EDO D 206 >ILE.D 186 59.28 4.79 18.51 60.37 5.49 18.22 59.82 5.14 18.37 3 0 9.27 -999 ? O1 EDO D 206 >PRO~D 187 53.83 5.58 18.38 55.39 4.23 17.43 54.61 4.91 17.90 3 0 12.05 -999 ? O2 EDO D 211 >PRO~D 188 55.70 1.09 13.74 55.83 3.30 13.98 55.77 2.20 13.86 3 0 14.73 -999 ? C2 EDO C 204 >GLY~D 189 53.22 5.38 11.97 53.76 5.67 12.51 53.49 5.52 12.24 1 0 13.42 -999 ? C2 EDO C 204 >SER~D 190 54.37 8.42 13.95 55.61 8.05 16.01 54.99 8.24 14.98 2 0 13.49 -999 ? O2 EDO D 211 >LEU~D 191 58.52 7.56 11.54 59.81 6.06 12.38 59.16 6.81 11.96 3 0 15.34 -999 ? O1 EDO D 206 >MET?D 192 57.17 11.53 9.99 55.31 11.02 6.16 56.24 11.27 8.07 2 0 10.68 -999 ? O2 EDO C 202 >GLN~D 193 54.05 14.08 14.81 53.36 13.29 16.72 53.70 13.69 15.76 2 0 13.50 -999 ? O2 EDO D 211 >LEU~D 194 58.83 11.14 15.39 59.55 10.50 17.33 59.19 10.82 16.36 3 0 13.23 -999 ? O1 EDO D 206 >ILE~D 195 61.46 13.07 11.30 62.32 12.33 10.42 61.89 12.70 10.86 3 0 11.40 -999 ? O2 EDO C 202 >ARG~D 196 58.41 18.69 9.62 60.39 20.97 10.37 59.40 19.83 10.00 2 0 6.22 -999 ? O2 EDO C 202 >THR~D 197 59.44 17.72 15.85 58.15 16.35 16.97 58.80 17.04 16.41 2 0 13.14 -999 ? O2 EDO C 202 >MET?D 198 63.13 16.92 16.22 63.49 13.01 17.87 63.31 14.96 17.04 2 0 11.88 -999 ? C1 EDO D 206 >THR~D 199 64.01 19.24 13.36 63.84 17.76 11.75 63.92 18.50 12.56 2 0 10.00 -999 ? O2 EDO C 202 >SER.D 200 61.80 22.17 14.23 59.60 23.15 14.16 60.70 22.66 14.20 2 0 9.70 -999 ? O2 EDO C 202 >PRO.D 201 64.86 25.26 14.38 63.39 24.35 15.83 64.12 24.81 15.10 3 0 12.65 -999 ? O2 EDO C 202