#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fur h GLU 207 N 0.00 0.52 -0.21 -0.52 5.08 -2.06 -2.16 114.58 115.24 3fur h GLU 207 Ca 0.00 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.05 3fur h GLU 207 Cb 0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3fur h GLU 207 CO 0.00 0.72 -0.39 0.77 -1.00 0.00 0.00 179.01 179.11 3fur h SER 208 N 0.47 0.49 -0.68 1.42 0.02 -2.03 -1.87 113.55 111.38 3fur h SER 208 Ca 0.07 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 3fur h SER 208 Cb 0.65 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 3fur h SER 208 CO 0.05 0.84 0.28 0.00 -1.14 0.00 0.00 176.83 176.86 3fur h ALA 209 N 1.19 0.88 -0.23 3.77 0.00 -1.97 -1.60 119.26 121.30 3fur h ALA 209 Ca 0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3fur h ALA 209 Cb 0.86 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3fur h ALA 209 CO 0.07 0.48 -0.23 -0.44 0.00 0.00 0.00 179.25 179.13 3fur h ASP 210 N 0.95 0.42 0.91 0.00 3.32 -1.16 -0.22 116.42 120.65 3fur h ASP 210 Ca 0.23 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 3fur h ASP 210 Cb 0.19 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3fur h ASP 210 CO -0.02 0.66 -0.52 -0.07 -1.72 0.00 0.00 179.24 177.57 3fur h LEU 211 N 0.38 0.00 -0.03 1.55 3.38 -1.13 -0.97 115.31 118.50 3fur h LEU 211 Ca 0.06 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.82 3fur h LEU 211 Cb 0.62 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.39 3fur h LEU 211 CO 0.04 0.52 -0.81 0.03 0.09 0.00 0.00 178.44 178.32 3fur h ARG 212 N 0.00 0.61 -0.70 1.13 2.47 -1.05 -1.38 114.38 115.46 3fur h ARG 212 Ca -0.01 -0.61 0.05 0.00 -1.26 0.00 0.00 59.98 58.16 3fur h ARG 212 Cb 1.12 0.16 -0.05 0.00 -1.65 0.00 0.00 29.97 29.55 3fur h ARG 212 CO 0.07 1.22 0.41 0.00 0.56 0.00 0.00 179.97 182.23 3fur h ALA 213 N 0.40 0.93 0.47 0.04 0.00 -0.93 0.94 119.26 121.11 3fur h ALA 213 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3fur h ALA 213 Cb 1.47 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3fur h ALA 213 CO 0.16 0.12 -0.27 1.25 0.00 0.00 0.00 179.25 180.51 3fur h LEU 214 N 0.77 -0.68 -0.79 0.00 5.85 -1.18 0.17 115.31 119.46 3fur h LEU 214 Ca 0.30 0.04 0.13 0.00 0.84 0.00 0.00 57.88 59.18 3fur h LEU 214 Cb 0.13 0.20 -0.13 0.00 0.37 0.00 0.00 40.66 41.22 3fur h LEU 214 CO -0.16 -0.44 -0.38 0.00 -0.34 0.00 0.00 178.44 177.13 3fur h ALA 215 N -0.20 0.01 -0.14 1.25 0.00 -0.98 0.59 119.26 119.80 3fur h ALA 215 Ca -0.06 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3fur h ALA 215 Cb 0.57 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 3fur h ALA 215 CO 0.07 -0.67 0.03 -0.22 0.00 0.00 0.00 179.25 178.45 3fur h LYS 216 N -0.09 0.22 -0.61 0.00 1.63 -0.57 -0.69 116.57 116.46 3fur h LYS 216 Ca 0.28 -0.06 0.11 0.00 -0.85 0.00 0.00 60.65 60.13 3fur h LYS 216 Cb 0.57 -0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 32.09 3fur h LYS 216 CO -0.83 0.39 0.18 1.25 -3.45 0.00 0.00 179.45 176.99 3fur h HIS 217 N 0.01 0.31 -0.92 1.91 2.76 -0.35 0.18 115.15 119.05 3fur h HIS 217 Ca 0.04 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 3fur h HIS 217 Cb 0.27 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.15 3fur h HIS 217 CO 0.01 0.03 0.54 -0.07 -1.30 0.00 0.00 177.93 177.14 3fur h LEU 218 N 0.33 1.11 -0.35 0.26 3.38 -0.56 -1.44 115.31 118.05 3fur h LEU 218 Ca 0.32 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 3fur h LEU 218 Cb 0.45 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3fur h LEU 218 CO -0.36 0.87 0.08 0.22 0.09 0.00 0.00 178.44 179.33 3fur h TYR 219 N 1.27 0.60 -0.44 1.13 3.20 -0.31 -1.61 116.97 120.80 3fur h TYR 219 Ca 0.33 -0.08 0.07 0.00 3.14 0.00 0.00 58.73 62.19 3fur h TYR 219 Cb -0.03 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.01 3fur h TYR 219 CO 0.01 0.61 0.10 -0.44 -1.64 0.00 0.00 178.16 176.80 3fur h ASP 220 N 0.41 0.04 -0.52 -2.11 3.32 -0.77 -1.19 116.42 115.60 3fur h ASP 220 Ca 0.11 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 3fur h ASP 220 Cb 0.32 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 3fur h ASP 220 CO 0.00 0.06 0.13 0.28 -1.72 0.00 0.00 179.24 177.99 3fur h SER 221 N 0.24 0.83 -0.06 6.45 0.02 -1.12 -1.91 113.55 118.00 3fur h SER 221 Ca 0.21 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3fur h SER 221 Cb 0.25 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 3fur h SER 221 CO -0.26 0.81 0.03 0.22 -1.14 0.00 0.00 176.83 176.49 3fur h TYR 222 N 0.85 0.09 -0.94 3.45 3.20 -0.92 0.11 116.97 122.79 3fur h TYR 222 Ca 0.18 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.15 3fur h TYR 222 Cb 0.32 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.49 3fur h TYR 222 CO 0.02 0.20 0.60 0.82 -1.64 0.00 0.00 178.16 178.16 3fur h ILE 223 N -0.05 0.95 0.00 1.81 1.08 -1.07 0.45 117.51 120.68 3fur h ILE 223 Ca 0.02 -0.32 -0.07 0.00 -0.39 0.00 0.00 64.86 64.10 3fur h ILE 223 Cb 0.15 -0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 33.82 3fur h ILE 223 CO -0.00 0.17 -0.33 0.11 -0.69 0.00 0.00 178.15 177.41 3fur h LYS 224 N 0.94 0.00 0.00 2.37 1.57 -1.06 -3.35 116.57 117.04 3fur h LYS 224 Ca 0.45 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.92 3fur h LYS 224 Cb 0.44 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.70 3fur h LYS 224 CO -0.21 0.33 -1.97 0.43 -0.57 0.00 0.00 179.45 177.45 3fur n SER 225 N -3.20 0.48 -3.96 0.86 7.64 0.34 -4.83 113.62 110.95 3fur n SER 225 Ca 0.02 0.23 -0.31 0.00 1.01 0.00 0.00 58.87 59.82 3fur n SER 225 Cb 0.65 0.46 -0.15 0.00 -1.01 0.00 0.00 64.21 64.16 3fur n SER 225 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3fur s PHE 226 N -2.61 3.17 0.36 1.43 0.08 0.09 -4.80 117.98 115.70 3fur s PHE 226 Ca -0.07 -2.55 0.06 0.00 0.12 0.00 0.00 56.93 54.50 3fur s PHE 226 Cb 0.07 -2.43 0.67 0.00 -0.57 0.00 0.00 43.02 40.77 3fur s PHE 226 CO 0.83 -0.91 1.89 -1.35 -0.10 0.00 0.00 175.22 175.58 3fur h PRO 227 N 7.76 0.42 -4.17 0.24 0.11 -1.86 -3.37 132.00 131.12 3fur h PRO 227 Ca -0.09 -0.09 -0.74 0.00 0.11 0.00 0.00 66.00 65.18 3fur h PRO 227 Cb 1.03 -0.06 -0.27 0.00 0.11 0.00 0.00 31.00 31.81 3fur h PRO 227 CO 0.49 0.48 -0.29 -1.17 -0.21 0.00 0.00 178.00 177.30 3fur s LEU 228 N -8.95 5.97 0.75 2.35 2.96 -1.26 -5.08 118.68 115.42 3fur s LEU 228 Ca -0.07 -1.90 -0.09 0.00 -0.22 0.00 0.00 54.13 51.86 3fur s LEU 228 Cb 0.15 -2.11 0.07 0.00 0.50 0.00 0.00 46.19 44.80 3fur s LEU 228 CO 0.75 -0.77 1.08 0.42 -1.32 0.00 0.00 176.35 176.52 3fur s THR 229 N 1.41 2.17 0.24 3.68 -4.23 -1.26 -4.95 115.64 112.70 3fur s THR 229 Ca 0.05 -0.17 -0.00 0.00 -1.18 0.00 0.00 61.69 60.39 3fur s THR 229 Cb -0.27 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.60 3fur s THR 229 CO 0.01 0.00 1.64 0.50 -0.54 0.00 0.00 174.62 176.23 3fur h LYS 230 N -0.79 0.56 -0.29 3.99 3.64 -1.96 -1.89 116.57 119.82 3fur h LYS 230 Ca -0.45 -0.25 0.05 0.00 -1.27 0.00 0.00 60.65 58.73 3fur h LYS 230 Cb 1.32 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.08 3fur h LYS 230 CO 0.62 0.82 0.03 0.00 -2.27 0.00 0.00 179.45 178.64 3fur h ALA 231 N 1.16 0.28 -0.07 5.00 0.00 -1.95 0.49 119.26 124.17 3fur h ALA 231 Ca 0.05 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 3fur h ALA 231 Cb 0.81 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3fur h ALA 231 CO 0.07 -0.38 -0.60 -0.22 0.00 0.00 0.00 179.25 178.11 3fur h LYS 232 N 0.12 0.25 -0.20 0.00 1.63 -1.95 -2.71 116.57 113.72 3fur h LYS 232 Ca 0.14 -0.17 -0.15 0.00 -0.85 0.00 0.00 60.65 59.62 3fur h LYS 232 Cb 0.17 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 3fur h LYS 232 CO -0.21 0.77 -0.49 0.00 -3.45 0.00 0.00 179.45 176.07 3fur h ALA 233 N 1.19 0.78 0.00 5.00 0.00 -0.87 -2.37 119.26 122.99 3fur h ALA 233 Ca -0.01 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 3fur h ALA 233 Cb 1.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3fur h ALA 233 CO 0.09 0.67 -0.62 0.00 0.00 0.00 0.00 179.25 179.39 3fur h ARG 234 N 0.42 0.00 -0.08 0.00 2.47 -0.82 0.83 114.38 117.20 3fur h ARG 234 Ca 0.02 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 3fur h ARG 234 Cb 1.01 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.33 3fur h ARG 234 CO 0.09 0.62 0.04 0.00 0.56 0.00 0.00 179.97 181.29 3fur h ALA 235 N 1.38 0.10 0.04 0.04 0.00 -1.36 -1.62 119.26 117.85 3fur h ALA 235 Ca -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3fur h ALA 235 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3fur h ALA 235 CO 0.08 -0.35 -0.02 0.82 0.00 0.00 0.00 179.25 179.79 3fur h ILE 236 N 0.02 1.00 0.00 0.00 2.04 -1.30 0.25 117.51 119.51 3fur h ILE 236 Ca 0.03 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 3fur h ILE 236 Cb 0.10 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3fur h ILE 236 CO -0.00 0.03 -0.23 -0.07 0.00 0.00 0.00 178.15 177.87 3fur h LEU 237 N -0.10 0.00 -1.54 1.44 3.38 -0.77 -1.15 115.31 116.56 3fur h LEU 237 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fur h LEU 237 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3fur h LEU 237 CO 0.01 0.23 -0.01 0.35 0.09 0.00 0.00 178.44 179.11 3fur n THR 238 N -4.21 0.00 -3.37 0.22 -2.24 -0.61 -4.99 114.28 99.07 3fur n THR 238 Ca -0.02 -0.40 -0.16 0.00 -2.27 0.00 0.00 64.05 61.19 3fur n THR 238 Cb 0.29 1.11 0.08 0.00 -2.10 0.00 0.00 70.33 69.72 3fur n THR 238 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fur n GLY 239 N 1.29 -0.53 2.88 3.38 0.00 -0.44 -4.96 105.19 106.81 3fur n GLY 239 Ca 0.16 0.20 -0.27 0.00 0.00 0.00 0.00 46.02 46.11 3fur n GLY 239 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fur n LYS 240 N -3.89 3.11 -3.69 1.61 5.02 0.75 -5.02 118.16 116.03 3fur n LYS 240 Ca -0.24 -4.79 -0.14 0.00 -2.02 0.00 0.00 58.31 51.12 3fur n LYS 240 Cb 0.66 -2.22 -0.08 0.00 -0.02 0.00 0.00 35.03 33.37 3fur n LYS 240 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3fur s THR 241 N -4.27 0.02 -0.42 -0.18 -1.32 -1.26 -4.81 115.64 103.40 3fur s THR 241 Ca 0.48 -0.18 0.26 0.00 -1.21 0.00 0.00 61.69 61.05 3fur s THR 241 Cb 0.28 -0.71 0.31 0.00 -1.51 0.00 0.00 72.50 70.87 3fur s THR 241 CO -0.13 -0.10 1.77 0.71 -2.21 0.00 0.00 174.62 174.67 3fur h THR 242 N 3.94 0.00 -3.44 5.08 1.35 -1.97 -3.45 112.91 114.42 3fur h THR 242 Ca -0.28 -0.49 -0.57 0.00 -0.55 0.00 0.00 66.41 64.52 3fur h THR 242 Cb 1.17 1.40 0.14 0.00 -1.73 0.00 0.00 68.15 69.14 3fur h THR 242 CO 0.31 0.00 0.25 0.47 -0.25 0.00 0.00 175.52 176.31 3fur n ASP 243 N -2.57 1.46 -4.76 5.36 8.00 -1.26 -4.97 116.55 117.80 3fur n ASP 243 Ca 0.03 0.96 -0.40 0.00 0.71 0.00 0.00 54.79 56.09 3fur n ASP 243 Cb 0.35 -1.42 0.02 0.00 -0.02 0.00 0.00 41.12 40.06 3fur n ASP 243 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3fur n LYS 244 N -0.41 2.26 -1.55 -1.24 4.81 -1.26 -4.94 118.16 115.83 3fur n LYS 244 Ca 0.10 0.80 -0.40 0.00 -0.87 0.00 0.00 58.31 57.95 3fur n LYS 244 Cb 0.43 -2.62 0.03 0.00 0.02 0.00 0.00 35.03 32.89 3fur n LYS 244 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3fur n SER 245 N -0.13 0.19 -4.76 3.14 7.64 -1.26 -4.93 113.62 113.51 3fur n SER 245 Ca 0.05 0.87 -0.38 0.00 1.01 0.00 0.00 58.87 60.43 3fur n SER 245 Cb 0.41 -1.28 0.01 0.00 -1.01 0.00 0.00 64.21 62.34 3fur n SER 245 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3fur s PRO 246 N -2.16 3.59 0.00 1.43 0.04 -1.26 -4.97 135.00 131.66 3fur s PRO 246 Ca 0.68 1.94 -0.30 0.00 0.04 0.00 0.00 61.00 63.36 3fur s PRO 246 Cb -0.50 -2.39 -0.06 0.00 0.04 0.00 0.00 34.50 31.60 3fur s PRO 246 CO 0.54 -0.74 1.49 0.12 0.04 0.00 0.00 177.00 178.45 3fur s PHE 247 N -1.45 2.63 -0.07 0.56 2.19 -0.69 -4.77 117.98 116.39 3fur s PHE 247 Ca 0.65 0.62 -0.21 0.00 0.33 0.00 0.00 56.93 58.33 3fur s PHE 247 Cb -0.33 -3.76 -0.04 0.00 -1.31 0.00 0.00 43.02 37.58 3fur s PHE 247 CO 0.40 -2.95 0.60 0.08 1.83 0.00 0.00 175.22 175.18 3fur s VAL 248 N 2.71 5.06 -0.26 3.12 1.01 -1.26 -0.89 120.40 129.89 3fur s VAL 248 Ca 0.67 1.23 -0.03 0.00 0.00 0.00 0.00 61.98 63.85 3fur s VAL 248 Cb -0.33 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.13 3fur s VAL 248 CO 0.28 0.32 -0.02 -0.63 0.00 0.00 0.00 175.10 175.04 3fur s ILE 249 N 0.48 3.18 0.00 2.22 1.01 0.88 -4.79 121.20 124.18 3fur s ILE 249 Ca 0.32 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 60.05 3fur s ILE 249 Cb -0.17 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.68 3fur s ILE 249 CO 0.15 0.17 0.47 0.00 0.00 0.00 0.00 174.94 175.74 3fur n TYR 250 N 4.72 0.00 -2.52 3.97 0.18 -1.26 -1.85 117.16 120.40 3fur n TYR 250 Ca -0.16 -0.10 0.00 0.00 1.88 0.00 0.00 57.90 59.52 3fur n TYR 250 Cb 0.47 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.42 3fur n TYR 250 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 3fur n ASP 251 N -0.10 0.00 0.04 9.48 5.68 -1.26 -4.67 116.55 125.72 3fur n ASP 251 Ca 0.00 0.00 -0.20 0.00 -0.50 0.00 0.00 54.79 54.09 3fur n ASP 251 Cb 0.32 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.19 3fur n ASP 251 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3fur h MET 252 N 0.00 0.62 -0.02 0.11 2.86 -1.99 -1.63 114.93 114.87 3fur h MET 252 Ca 0.00 -0.70 0.01 0.00 -2.06 0.00 0.00 59.70 56.95 3fur h MET 252 Cb 0.00 0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 3fur h MET 252 CO 0.00 1.29 -0.24 -0.97 1.06 0.00 0.00 176.91 178.05 3fur h ASN 253 N 0.25 -0.75 -0.58 1.22 -0.73 -1.99 0.28 115.58 113.28 3fur h ASN 253 Ca -0.13 0.09 -0.03 0.00 1.87 0.00 0.00 56.30 58.10 3fur h ASN 253 Cb 1.66 0.29 -0.03 0.00 0.27 0.00 0.00 38.32 40.51 3fur h ASN 253 CO 0.19 -0.23 0.25 0.77 -0.37 0.00 0.00 177.43 178.05 3fur h SER 254 N -0.28 0.79 -0.83 1.15 4.64 -1.89 -2.27 113.55 114.86 3fur h SER 254 Ca 0.01 -0.15 0.12 0.00 -0.47 0.00 0.00 61.79 61.29 3fur h SER 254 Cb 0.31 -0.20 -0.08 0.00 -0.31 0.00 0.00 62.40 62.12 3fur h SER 254 CO -0.17 0.73 0.45 0.25 -0.87 0.00 0.00 176.83 177.22 3fur h LEU 255 N 0.80 0.61 0.29 5.97 5.85 -1.12 -1.51 115.31 126.20 3fur h LEU 255 Ca 0.20 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 3fur h LEU 255 Cb 0.17 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3fur h LEU 255 CO -0.02 0.31 -0.14 0.24 -0.34 0.00 0.00 178.44 178.50 3fur h MET 256 N 0.72 -0.37 -0.06 1.25 2.86 0.13 -3.10 114.93 116.35 3fur h MET 256 Ca 0.42 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 58.12 3fur h MET 256 Cb 0.48 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 32.17 3fur h MET 256 CO -0.29 -0.10 -0.47 0.52 1.06 0.00 0.00 176.91 177.62 3fur h MET 257 N -0.61 -0.56 -0.02 1.72 2.86 -1.34 -3.52 114.93 113.47 3fur h MET 257 Ca -0.04 0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3fur h MET 257 Cb 0.44 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 3fur h MET 257 CO 0.06 -0.37 0.01 0.78 1.06 0.00 0.00 176.91 178.45 3fur h GLY 258 N -0.58 0.03 -0.22 8.32 0.00 -1.20 -3.52 103.07 105.90 3fur h GLY 258 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3fur h GLY 258 CO -0.37 0.02 0.00 1.17 0.00 0.00 0.00 176.54 177.35 3fur n LYS 275 N -4.98 0.00 -1.19 4.80 4.81 -1.26 -5.06 118.16 115.27 3fur n LYS 275 Ca -0.07 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.05 3fur n LYS 275 Cb 0.12 -0.11 0.11 0.00 0.02 0.00 0.00 35.03 35.16 3fur n LYS 275 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3fur s GLU 276 N -1.05 1.92 0.27 1.64 -1.05 -1.26 -4.68 118.70 114.48 3fur s GLU 276 Ca 0.00 1.46 -0.03 0.00 -0.15 0.00 0.00 54.97 56.25 3fur s GLU 276 Cb 0.00 -1.84 0.37 0.00 -0.44 0.00 0.00 34.13 32.22 3fur s GLU 276 CO 0.00 -1.95 1.92 -0.24 0.95 0.00 0.00 175.26 175.94 3fur h VAL 277 N -1.00 1.17 -0.93 1.83 3.04 -2.05 -1.32 116.25 116.99 3fur h VAL 277 Ca -0.45 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 64.82 3fur h VAL 277 Cb 1.26 -0.17 -0.05 0.00 -2.01 0.00 0.00 31.29 30.32 3fur h VAL 277 CO 0.48 0.23 0.59 0.00 -1.01 0.00 0.00 177.57 177.86 3fur h ALA 278 N 1.43 1.18 0.02 3.17 0.00 -1.97 -1.79 119.26 121.30 3fur h ALA 278 Ca 0.39 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.97 3fur h ALA 278 Cb 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 17.42 3fur h ALA 278 CO -0.12 0.61 -1.02 0.82 0.00 0.00 0.00 179.25 179.54 3fur h ILE 279 N 1.27 1.36 -0.17 0.00 2.04 -1.65 -0.71 117.51 119.65 3fur h ILE 279 Ca 0.34 -2.44 -0.03 0.00 1.00 0.00 0.00 64.86 63.73 3fur h ILE 279 Cb -0.11 2.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 3fur h ILE 279 CO -0.07 0.74 -0.02 0.03 0.00 0.00 0.00 178.15 178.82 3fur h ARG 280 N 0.27 0.24 -0.01 2.37 3.08 -1.05 -0.03 114.38 119.25 3fur h ARG 280 Ca -0.11 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 3fur h ARG 280 Cb 1.67 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.68 3fur h ARG 280 CO 0.18 0.29 -0.13 0.82 -1.07 0.00 0.00 179.97 180.06 3fur h ILE 281 N 0.24 1.56 -0.72 2.04 2.04 -1.25 -2.56 117.51 118.87 3fur h ILE 281 Ca 0.06 -1.83 0.13 0.00 1.00 0.00 0.00 64.86 64.22 3fur h ILE 281 Cb 0.21 2.74 -0.09 0.00 -0.74 0.00 0.00 36.82 38.94 3fur h ILE 281 CO 0.01 0.49 0.27 0.15 0.00 0.00 0.00 178.15 179.07 3fur h PHE 282 N -0.59 0.46 -0.11 1.37 3.57 -0.88 -0.57 116.94 120.18 3fur h PHE 282 Ca -0.01 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.42 3fur h PHE 282 Cb 0.87 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 3fur h PHE 282 CO 0.18 0.06 -0.38 1.96 -2.23 0.00 0.00 178.31 177.90 3fur h GLN 283 N 0.42 0.24 -0.67 1.11 1.08 -1.10 -1.83 115.11 114.36 3fur h GLN 283 Ca 0.39 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 57.42 3fur h GLN 283 Cb 0.58 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.98 3fur h GLN 283 CO -0.40 0.59 0.14 0.78 -0.95 0.00 0.00 178.83 178.99 3fur h GLY 284 N 1.17 1.18 0.99 3.46 0.00 -0.76 -1.98 103.07 107.13 3fur h GLY 284 Ca 0.02 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 3fur h GLY 284 CO 0.06 0.71 0.34 0.00 0.00 0.00 0.00 176.54 177.65 3fur h GLN 286 N 0.79 -0.25 -0.55 0.00 1.08 -1.22 0.78 115.11 115.73 3fur h GLN 286 Ca 0.21 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.49 3fur h GLN 286 Cb 0.00 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.43 3fur h GLN 286 CO -0.04 -0.17 0.25 0.35 -0.95 0.00 0.00 178.83 178.27 3fur h PHE 287 N -0.26 0.44 -0.69 2.96 3.04 -1.31 -1.20 116.94 119.93 3fur h PHE 287 Ca 0.00 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.92 3fur h PHE 287 Cb 0.25 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.61 3fur h PHE 287 CO -0.12 0.18 0.18 -0.09 -2.02 0.00 0.00 178.31 176.44 3fur h ARG 288 N 0.47 1.08 -0.76 1.11 9.65 -1.25 -2.89 114.38 121.78 3fur h ARG 288 Ca 0.26 -0.24 0.04 0.00 -1.10 0.00 0.00 59.98 58.93 3fur h ARG 288 Cb 0.23 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.62 3fur h ARG 288 CO -0.22 0.94 0.50 0.77 2.80 0.00 0.00 179.97 184.77 3fur h SER 289 N 1.03 0.79 0.29 -3.80 0.02 -0.19 -1.03 113.55 110.67 3fur h SER 289 Ca 0.22 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3fur h SER 289 Cb 0.34 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3fur h SER 289 CO -0.00 0.54 -0.31 0.58 -1.14 0.00 0.00 176.83 176.50 3fur h VAL 290 N 0.92 0.35 -0.65 2.27 2.07 -1.03 0.88 116.25 121.07 3fur h VAL 290 Ca 0.31 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.91 3fur h VAL 290 Cb 0.07 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.13 3fur h VAL 290 CO -0.09 0.00 0.31 -0.08 0.02 0.00 0.00 177.57 177.73 3fur h GLU 291 N -0.64 0.53 -0.33 1.57 4.81 -1.44 -2.41 114.58 116.67 3fur h GLU 291 Ca -0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3fur h GLU 291 Cb 0.59 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 3fur h GLU 291 CO -0.07 0.35 0.18 0.00 -0.73 0.00 0.00 179.01 178.74 3fur h ALA 292 N 1.39 0.42 -0.94 2.92 0.00 -0.92 -1.66 119.26 120.47 3fur h ALA 292 Ca 0.31 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.25 3fur h ALA 292 Cb 0.31 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 3fur h ALA 292 CO -0.25 -0.05 0.60 0.28 0.00 0.00 0.00 179.25 179.84 3fur h VAL 293 N 0.41 0.96 -0.49 0.00 2.07 -0.57 0.25 116.25 118.89 3fur h VAL 293 Ca 0.12 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 3fur h VAL 293 Cb 0.07 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 3fur h VAL 293 CO -0.02 0.17 -0.01 1.56 0.02 0.00 0.00 177.57 179.30 3fur h GLN 294 N 0.95 0.82 0.08 1.57 4.20 -0.94 0.54 115.11 122.33 3fur h GLN 294 Ca 0.44 -0.23 -0.26 0.00 0.06 0.00 0.00 58.65 58.66 3fur h GLN 294 Cb 0.41 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.11 3fur h GLN 294 CO -0.20 0.83 -1.12 0.93 -0.67 0.00 0.00 178.83 178.60 3fur h GLU 295 N 0.77 0.39 -0.25 1.46 5.08 -0.52 -2.63 114.58 118.87 3fur h GLU 295 Ca 0.15 -0.52 -0.12 0.00 -1.00 0.00 0.00 59.36 57.87 3fur h GLU 295 Cb 0.48 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3fur h GLU 295 CO 0.02 1.20 -0.34 0.82 -1.00 0.00 0.00 179.01 179.71 3fur h ILE 296 N 0.17 1.29 -0.06 3.13 2.04 -0.89 -1.72 117.51 121.47 3fur h ILE 296 Ca -0.12 -1.45 -0.00 0.00 1.00 0.00 0.00 64.86 64.28 3fur h ILE 296 Cb 1.80 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 39.34 3fur h ILE 296 CO 0.19 0.46 0.02 0.74 0.00 0.00 0.00 178.15 179.56 3fur h THR 297 N 0.46 1.17 -0.60 -0.27 2.02 -0.86 0.55 112.91 115.36 3fur h THR 297 Ca 0.05 -0.50 0.07 0.00 0.77 0.00 0.00 66.41 66.80 3fur h THR 297 Cb 0.81 1.40 -0.06 0.00 -1.74 0.00 0.00 68.15 68.56 3fur h THR 297 CO 0.07 0.14 0.29 -0.33 0.37 0.00 0.00 175.52 176.05 3fur h GLU 298 N -0.10 0.51 0.13 6.66 4.39 -1.44 -0.36 114.58 124.38 3fur h GLU 298 Ca 0.02 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 3fur h GLU 298 Cb 0.21 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3fur h GLU 298 CO -0.00 0.34 -0.07 -0.92 -1.16 0.00 0.00 179.01 177.19 3fur h TYR 299 N 0.52 -0.19 -0.86 4.33 3.20 -1.16 -2.92 116.97 119.89 3fur h TYR 299 Ca 0.29 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.28 3fur h TYR 299 Cb 0.26 0.07 -0.09 0.00 1.54 0.00 0.00 36.73 38.51 3fur h TYR 299 CO -0.12 -0.12 0.47 0.00 -1.64 0.00 0.00 178.16 176.75 3fur h ALA 300 N 0.67 1.27 0.00 1.82 0.00 -0.50 -1.00 119.26 121.52 3fur h ALA 300 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3fur h ALA 300 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3fur h ALA 300 CO 0.02 0.00 0.04 0.87 0.00 0.00 0.00 179.25 180.18 3fur h LYS 301 N 0.72 0.00 -0.02 0.00 1.57 -0.89 -1.50 116.57 116.45 3fur h LYS 301 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 3fur h LYS 301 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3fur h LYS 301 CO -0.31 0.00 -0.01 -1.13 -0.57 0.00 0.00 179.45 177.43 3fur n SER 302 N -3.01 2.46 -4.65 0.86 3.41 -0.39 -4.65 113.62 107.66 3fur n SER 302 Ca -0.03 -1.82 -0.43 0.00 -0.26 0.00 0.00 58.87 56.34 3fur n SER 302 Cb 0.10 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.04 3fur n SER 302 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3fur s ILE 303 N -2.01 4.43 0.18 -1.33 1.01 -0.56 -4.94 121.20 117.98 3fur s ILE 303 Ca 0.31 1.68 -0.33 0.00 0.00 0.00 0.00 60.65 62.31 3fur s ILE 303 Cb 0.20 -4.26 -0.14 0.00 0.01 0.00 0.00 42.46 38.27 3fur s ILE 303 CO 0.32 -0.35 1.41 -2.65 0.00 0.00 0.00 174.94 173.68 3fur n PRO 304 N 6.78 1.81 0.00 2.79 -0.02 -1.26 -1.69 135.00 143.41 3fur n PRO 304 Ca 0.13 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3fur n PRO 304 Cb 0.46 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3fur n PRO 304 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fur n GLY 305 N 2.58 3.19 0.19 -1.23 0.00 -1.26 -4.94 105.19 103.72 3fur n GLY 305 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 3fur n GLY 305 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3fur h PHE 306 N 0.00 0.57 0.00 1.61 3.57 -1.62 -2.77 116.94 118.29 3fur h PHE 306 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 3fur h PHE 306 Cb 0.00 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.56 3fur h PHE 306 CO 0.00 0.47 0.00 1.33 -2.23 0.00 0.00 178.31 177.88 3fur n VAL 307 N -4.70 0.76 1.16 1.41 0.24 -1.26 -2.19 118.33 113.75 3fur n VAL 307 Ca 0.00 0.13 0.12 0.00 -2.04 0.00 0.00 64.34 62.55 3fur n VAL 307 Cb 0.10 -0.98 0.24 0.00 -1.47 0.00 0.00 33.84 31.73 3fur n VAL 307 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3fur n ASN 308 N -2.05 1.45 -4.80 -1.34 3.02 -1.05 -4.91 115.26 105.58 3fur n ASN 308 Ca 0.03 -1.17 -0.33 0.00 -0.03 0.00 0.00 54.58 53.09 3fur n ASN 308 Cb 0.26 0.25 0.02 0.00 -0.61 0.00 0.00 39.78 39.70 3fur n ASN 308 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fur s LEU 309 N -2.46 3.47 0.09 3.41 1.43 -0.93 -4.94 118.68 118.75 3fur s LEU 309 Ca 0.23 1.83 -0.36 0.00 -1.03 0.00 0.00 54.13 54.80 3fur s LEU 309 Cb 0.19 -4.53 -0.17 0.00 0.03 0.00 0.00 46.19 41.70 3fur s LEU 309 CO 0.53 -1.24 1.15 -0.67 0.23 0.00 0.00 176.35 176.35 3fur n ASP 310 N -2.12 0.83 0.23 2.29 2.03 -1.26 -4.77 116.55 113.78 3fur n ASP 310 Ca 0.09 1.14 0.08 0.00 0.52 0.00 0.00 54.79 56.61 3fur n ASP 310 Cb 0.53 -1.10 0.55 0.00 -0.72 0.00 0.00 41.12 40.38 3fur n ASP 310 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3fur h LEU 311 N 3.48 0.00 -0.94 -2.67 5.85 -1.92 -0.55 115.31 118.55 3fur h LEU 311 Ca -0.46 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.17 3fur h LEU 311 Cb 1.37 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 3fur h LEU 311 CO 0.70 0.21 -0.26 0.78 -0.34 0.00 0.00 178.44 179.54 3fur h ASN 312 N 0.00 0.47 0.54 1.25 2.35 -2.00 -2.33 115.58 115.86 3fur h ASN 312 Ca -0.00 -0.16 -0.21 0.00 -0.55 0.00 0.00 56.30 55.38 3fur h ASN 312 Cb 0.44 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3fur h ASN 312 CO 0.03 0.72 -0.90 0.44 -1.65 0.00 0.00 177.43 176.07 3fur h ASP 313 N 0.42 0.32 -0.20 5.81 3.32 -1.50 -2.30 116.42 122.28 3fur h ASP 313 Ca 0.06 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 56.89 3fur h ASP 313 Cb 0.67 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 3fur h ASP 313 CO 0.05 1.07 -0.06 1.56 -1.72 0.00 0.00 179.24 180.14 3fur h GLN 314 N 0.13 -0.02 -0.16 3.56 4.20 -1.17 -0.87 115.11 120.79 3fur h GLN 314 Ca -0.05 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.70 3fur h GLN 314 Cb 1.54 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.28 3fur h GLN 314 CO 0.14 -0.01 -0.11 0.28 -0.67 0.00 0.00 178.83 178.46 3fur h VAL 315 N -0.02 0.67 -0.43 -0.54 2.07 -1.37 -2.43 116.25 114.20 3fur h VAL 315 Ca 0.10 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.65 3fur h VAL 315 Cb 0.16 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3fur h VAL 315 CO -0.21 0.00 0.23 0.74 0.02 0.00 0.00 177.57 178.35 3fur h THR 316 N -0.11 1.00 -0.54 2.57 2.02 -1.30 -0.17 112.91 116.37 3fur h THR 316 Ca 0.10 -0.16 0.07 0.00 0.77 0.00 0.00 66.41 67.19 3fur h THR 316 Cb 0.26 0.50 -0.06 0.00 -1.74 0.00 0.00 68.15 67.10 3fur h THR 316 CO -0.23 0.08 0.21 -0.07 0.37 0.00 0.00 175.52 175.88 3fur h LEU 317 N 0.46 0.22 -0.17 2.58 3.38 -1.08 -1.83 115.31 118.87 3fur h LEU 317 Ca 0.18 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 3fur h LEU 317 Cb 0.06 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3fur h LEU 317 CO -0.11 0.15 -0.03 -0.07 0.09 0.00 0.00 178.44 178.47 3fur h LEU 318 N 0.40 0.32 -0.49 1.67 3.38 -1.19 -1.37 115.31 118.03 3fur h LEU 318 Ca 0.26 -0.36 0.08 0.00 0.09 0.00 0.00 57.88 57.96 3fur h LEU 318 Cb 0.29 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 3fur h LEU 318 CO -0.26 0.60 0.10 0.11 0.09 0.00 0.00 178.44 179.09 3fur h LYS 319 N 0.03 0.23 0.00 1.13 1.57 -0.89 -0.06 116.57 118.59 3fur h LYS 319 Ca 0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3fur h LYS 319 Cb 0.46 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3fur h LYS 319 CO 0.01 0.15 -0.51 0.66 -0.57 0.00 0.00 179.45 179.20 3fur n TYR 320 N -5.11 0.30 -0.00 -1.35 4.02 -0.70 -4.40 117.16 109.92 3fur n TYR 320 Ca 0.05 0.09 0.03 0.00 -0.01 0.00 0.00 57.90 58.06 3fur n TYR 320 Cb 0.24 -0.49 -0.05 0.00 -0.02 0.00 0.00 39.34 39.02 3fur n TYR 320 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fur n GLY 321 N 1.41 -0.28 0.31 2.72 0.00 -0.52 -4.77 105.19 104.06 3fur n GLY 321 Ca 0.04 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.94 3fur n GLY 321 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3fur h VAL 322 N 0.00 0.96 -0.71 1.61 3.04 -1.20 -2.77 116.25 117.18 3fur h VAL 322 Ca -0.00 -0.29 -0.01 0.00 -1.01 0.00 0.00 66.70 65.38 3fur h VAL 322 Cb 0.31 0.05 -0.03 0.00 -2.01 0.00 0.00 31.29 29.60 3fur h VAL 322 CO 0.00 0.15 0.40 0.45 -1.01 0.00 0.00 177.57 177.56 3fur h HIS 323 N 0.84 0.97 -0.97 3.17 3.86 -1.86 0.24 115.15 121.41 3fur h HIS 323 Ca 0.38 -0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.70 3fur h HIS 323 Cb 0.27 -0.31 -0.09 0.00 1.06 0.00 0.00 27.41 28.34 3fur h HIS 323 CO -0.05 0.68 0.59 0.93 0.86 0.00 0.00 177.93 180.94 3fur h GLU 324 N 0.98 0.86 -0.15 2.45 5.08 -1.80 -1.82 114.58 120.18 3fur h GLU 324 Ca 0.25 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.40 3fur h GLU 324 Cb 0.02 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.09 3fur h GLU 324 CO -0.04 0.57 -0.54 0.82 -1.00 0.00 0.00 179.01 178.83 3fur h ILE 325 N 0.89 1.33 -0.68 3.13 1.08 -1.19 -2.03 117.51 120.05 3fur h ILE 325 Ca 0.50 -1.80 0.09 0.00 -0.39 0.00 0.00 64.86 63.26 3fur h ILE 325 Cb 0.58 2.03 -0.07 0.00 -3.07 0.00 0.00 36.82 36.29 3fur h ILE 325 CO -0.30 0.55 0.33 0.40 -0.69 0.00 0.00 178.15 178.44 3fur h ILE 326 N 0.29 0.85 0.00 -0.67 2.04 -0.73 -1.28 117.51 118.00 3fur h ILE 326 Ca -0.02 -0.19 -0.19 0.00 1.00 0.00 0.00 64.86 65.45 3fur h ILE 326 Cb 1.16 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 3fur h ILE 326 CO 0.11 0.10 -0.97 1.88 0.00 0.00 0.00 178.15 179.28 3fur h TYR 327 N 0.57 0.00 -0.07 1.37 0.05 -1.36 0.12 116.97 117.64 3fur h TYR 327 Ca 0.33 0.00 0.03 0.00 0.05 0.00 0.00 58.73 59.15 3fur h TYR 327 Cb 0.35 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.05 3fur h TYR 327 CO -0.12 0.85 -0.15 1.15 -1.05 0.00 0.00 178.16 178.85 3fur h THR 328 N 0.00 0.62 -0.05 -2.88 2.02 -1.26 -2.93 112.91 108.44 3fur h THR 328 Ca -0.05 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.94 3fur h THR 328 Cb 1.68 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 3fur h THR 328 CO 0.10 0.00 -0.78 0.24 0.37 0.00 0.00 175.52 175.45 3fur h MET 329 N -0.21 0.36 -0.91 6.66 2.86 -1.14 -3.06 114.93 119.48 3fur h MET 329 Ca 0.07 -0.32 0.10 0.00 -2.06 0.00 0.00 59.70 57.50 3fur h MET 329 Cb 0.31 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.97 3fur h MET 329 CO -0.19 0.98 0.59 1.25 1.06 0.00 0.00 176.91 180.59 3fur h LEU 330 N 0.23 0.82 -1.53 1.22 5.85 -0.77 -1.90 115.31 119.23 3fur h LEU 330 Ca -0.04 0.03 0.15 0.00 0.84 0.00 0.00 57.88 58.86 3fur h LEU 330 Cb 1.37 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 3fur h LEU 330 CO 0.13 0.47 0.52 0.00 -0.34 0.00 0.00 178.44 179.21 3fur h ALA 331 N 1.55 2.07 -0.57 1.25 0.00 -1.40 0.12 119.26 122.28 3fur h ALA 331 Ca 0.43 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.45 3fur h ALA 331 Cb 0.45 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3fur h ALA 331 CO -0.19 -0.28 0.38 0.77 0.00 0.00 0.00 179.25 179.93 3fur h SER 332 N 0.46 0.30 0.04 0.00 0.02 -1.46 -2.05 113.55 110.86 3fur h SER 332 Ca 0.38 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 3fur h SER 332 Cb 0.83 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.31 3fur h SER 332 CO -0.13 0.18 -0.06 0.18 -1.14 0.00 0.00 176.83 175.86 3fur n LEU 333 N -4.46 1.46 -4.56 5.07 4.77 0.41 -4.62 117.00 115.05 3fur n LEU 333 Ca 0.09 -0.47 -0.31 0.00 -0.03 0.00 0.00 56.01 55.30 3fur n LEU 333 Cb 0.40 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.36 3fur n LEU 333 CO 0.34 0.25 -0.42 -0.04 -1.33 0.00 0.00 177.39 176.19 3fur s MET 334 N -2.11 2.26 0.23 3.23 -1.94 -0.77 -1.68 119.30 118.52 3fur s MET 334 Ca 0.34 -0.92 0.01 0.00 -1.71 0.00 0.00 55.69 53.42 3fur s MET 334 Cb 0.21 -2.35 -0.00 0.00 2.01 0.00 0.00 34.83 34.69 3fur s MET 334 CO 0.38 0.54 0.05 0.27 -0.01 0.00 0.00 175.02 176.24 3fur n ASN 335 N 1.11 1.75 0.09 3.03 0.23 -0.18 -4.97 115.26 116.32 3fur n ASN 335 Ca -0.14 -2.13 0.06 0.00 -0.53 0.00 0.00 54.58 51.84 3fur n ASN 335 Cb 0.52 0.39 0.33 0.00 -2.08 0.00 0.00 39.78 38.95 3fur n ASN 335 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 3fur n LYS 336 N -0.55 0.08 -0.00 -3.83 2.85 -1.26 -2.90 118.16 112.55 3fur n LYS 336 Ca -0.06 0.55 0.05 0.00 -1.05 0.00 0.00 58.31 57.80 3fur n LYS 336 Cb 0.32 -1.75 -0.07 0.00 -0.65 0.00 0.00 35.03 32.89 3fur n LYS 336 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3fur n ASP 337 N -1.92 0.73 0.00 -5.58 8.00 -1.26 -4.87 116.55 111.65 3fur n ASP 337 Ca -0.00 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.81 3fur n ASP 337 Cb 0.04 1.06 0.00 0.00 -0.02 0.00 0.00 41.12 42.20 3fur n ASP 337 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fur n GLY 338 N 1.33 -1.09 3.01 0.44 0.00 -1.14 -0.98 105.19 106.76 3fur n GLY 338 Ca 0.02 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 3fur n GLY 338 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fur s VAL 339 N -3.00 -0.00 0.26 1.61 0.11 -0.71 -1.01 120.40 117.66 3fur s VAL 339 Ca 0.00 0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 58.77 3fur s VAL 339 Cb 0.00 -0.21 -0.09 0.00 -1.53 0.00 0.00 36.38 34.55 3fur s VAL 339 CO 0.00 0.01 1.19 -0.76 -3.33 0.00 0.00 175.10 172.21 3fur s LEU 340 N 0.17 4.49 0.25 2.54 1.43 -0.67 -0.34 118.68 126.54 3fur s LEU 340 Ca -0.01 2.37 0.01 0.00 -1.03 0.00 0.00 54.13 55.47 3fur s LEU 340 Cb -0.02 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 3fur s LEU 340 CO -0.00 -0.32 0.10 0.27 0.23 0.00 0.00 176.35 176.62 3fur s ILE 341 N -0.79 0.48 -1.31 -0.59 -4.36 -0.41 -4.78 121.20 109.44 3fur s ILE 341 Ca 0.48 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.83 3fur s ILE 341 Cb -0.34 -2.60 -0.00 0.00 1.25 0.00 0.00 42.46 40.76 3fur s ILE 341 CO 0.43 -0.02 0.60 -1.20 0.24 0.00 0.00 174.94 174.99 3fur n SER 342 N -0.43 -1.76 -3.98 4.36 7.64 -1.26 -1.53 113.62 116.66 3fur n SER 342 Ca 0.00 -0.94 -0.30 0.00 1.01 0.00 0.00 58.87 58.64 3fur n SER 342 Cb 0.66 -3.51 0.00 0.00 -1.01 0.00 0.00 64.21 60.36 3fur n SER 342 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3fur n GLU 343 N -4.29 -4.37 -0.93 1.43 1.02 -1.26 -1.79 120.64 110.45 3fur n GLU 343 Ca -0.26 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 3fur n GLU 343 Cb 0.66 -5.15 0.00 0.00 -0.02 0.00 0.00 31.44 26.93 3fur n GLU 343 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fur n GLY 344 N -1.65 0.58 0.10 0.62 0.00 -0.71 -4.90 105.19 99.22 3fur n GLY 344 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 3fur n GLY 344 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3fur h GLN 345 N 1.43 0.00 -5.22 1.61 4.20 -0.84 -3.43 115.11 112.87 3fur h GLN 345 Ca 0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 3fur h GLN 345 Cb 0.00 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.64 3fur h GLN 345 CO 0.00 0.00 -0.70 0.20 -0.67 0.00 0.00 178.83 177.66 3fur s GLY 346 N -3.83 1.37 -0.05 3.46 0.00 -0.58 -1.70 107.32 105.99 3fur s GLY 346 Ca 0.06 -1.65 -0.01 0.00 0.00 0.00 0.00 44.72 43.11 3fur s GLY 346 CO 0.71 -1.67 0.03 -0.12 0.00 0.00 0.00 173.10 172.04 3fur s PHE 347 N -3.25 0.34 -0.21 1.90 5.36 -0.07 -1.29 117.98 120.77 3fur s PHE 347 Ca 0.23 0.05 -0.05 0.00 -0.96 0.00 0.00 56.93 56.20 3fur s PHE 347 Cb 0.03 -0.60 -0.02 0.00 -0.34 0.00 0.00 43.02 42.09 3fur s PHE 347 CO 0.05 -0.24 -0.01 1.41 -1.46 0.00 0.00 175.22 174.98 3fur s MET 348 N 1.90 3.55 0.47 10.12 -2.45 0.54 -0.09 119.30 133.35 3fur s MET 348 Ca 0.03 -0.55 -0.21 0.00 -1.25 0.00 0.00 55.69 53.71 3fur s MET 348 Cb -0.12 -3.06 -0.09 0.00 1.25 0.00 0.00 34.83 32.81 3fur s MET 348 CO -0.04 -0.04 1.04 0.95 1.05 0.00 0.00 175.02 177.98 3fur s THR 349 N 1.13 3.81 0.30 10.11 -4.23 -0.77 -1.74 115.64 124.25 3fur s THR 349 Ca 0.02 1.16 0.03 0.00 -1.18 0.00 0.00 61.69 61.73 3fur s THR 349 Cb -0.14 -3.49 0.12 0.00 1.34 0.00 0.00 72.50 70.32 3fur s THR 349 CO 0.01 -0.20 1.80 -0.09 -0.54 0.00 0.00 174.62 175.59 3fur h ARG 350 N 1.73 0.54 -0.44 3.99 2.43 -1.39 -2.81 114.38 118.42 3fur h ARG 350 Ca -0.49 -0.15 -0.11 0.00 -0.81 0.00 0.00 59.98 58.41 3fur h ARG 350 Cb 1.22 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 3fur h ARG 350 CO 0.60 0.64 -0.17 0.93 -1.51 0.00 0.00 179.97 180.46 3fur h GLU 351 N 0.50 0.85 -0.02 0.20 4.39 -1.93 -0.62 114.58 117.95 3fur h GLU 351 Ca 0.09 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.48 3fur h GLU 351 Cb 0.48 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3fur h GLU 351 CO 0.03 0.95 -0.03 0.35 -1.16 0.00 0.00 179.01 179.15 3fur h PHE 352 N 0.75 -0.06 -0.35 4.33 3.57 -1.79 -0.95 116.94 122.43 3fur h PHE 352 Ca 0.11 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 3fur h PHE 352 Cb 0.69 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 3fur h PHE 352 CO 0.04 -0.04 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.93 3fur h LEU 353 N -0.04 0.57 -1.58 0.59 3.38 -1.41 -2.10 115.31 114.71 3fur h LEU 353 Ca 0.02 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 3fur h LEU 353 Cb 0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3fur h LEU 353 CO -0.04 0.69 -0.22 0.50 0.09 0.00 0.00 178.44 179.45 3fur h LYS 354 N 0.55 0.00 0.00 1.13 3.64 -0.80 -2.92 116.57 118.16 3fur h LYS 354 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3fur h LYS 354 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3fur h LYS 354 CO 0.02 0.22 0.00 -1.13 -2.27 0.00 0.00 179.45 176.30 3fur n SER 355 N -3.89 0.33 -4.76 4.20 3.41 -0.39 -4.79 113.62 107.73 3fur n SER 355 Ca -0.02 0.55 -0.37 0.00 -0.26 0.00 0.00 58.87 58.76 3fur n SER 355 Cb 0.31 -0.63 0.01 0.00 -0.26 0.00 0.00 64.21 63.64 3fur n SER 355 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fur s LEU 356 N -3.65 3.93 0.60 1.04 1.43 -1.10 -4.98 118.68 115.95 3fur s LEU 356 Ca 0.10 2.45 -0.17 0.00 -1.03 0.00 0.00 54.13 55.49 3fur s LEU 356 Cb 0.14 -4.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.05 3fur s LEU 356 CO 0.48 -1.17 1.09 0.00 0.23 0.00 0.00 176.35 176.98 3fur s ARG 357 N -2.82 3.17 0.28 1.70 1.04 -1.26 -2.85 118.95 118.21 3fur s ARG 357 Ca 0.67 1.39 -0.29 0.00 -1.04 0.00 0.00 55.73 56.45 3fur s ARG 357 Cb -0.32 -2.00 -0.13 0.00 -2.04 0.00 0.00 34.95 30.45 3fur s ARG 357 CO 0.39 -0.95 1.25 1.17 -0.04 0.00 0.00 175.30 177.11 3fur n LYS 358 N -1.91 1.83 0.00 3.89 4.81 -1.26 -1.07 118.16 124.45 3fur n LYS 358 Ca 0.10 0.64 0.13 0.00 -0.87 0.00 0.00 58.31 58.31 3fur n LYS 358 Cb 0.52 -2.19 0.37 0.00 0.02 0.00 0.00 35.03 33.75 3fur n LYS 358 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3fur n PRO 359 N 1.19 0.56 0.14 1.64 -0.04 -1.26 -4.90 135.00 132.33 3fur n PRO 359 Ca 0.09 -0.31 0.07 0.00 -0.04 0.00 0.00 63.50 63.31 3fur n PRO 359 Cb 0.32 -1.49 0.56 0.00 -0.04 0.00 0.00 33.50 32.85 3fur n PRO 359 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3fur h PHE 360 N 0.75 0.21 -0.00 0.54 -1.00 -1.39 -2.25 116.94 113.80 3fur h PHE 360 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3fur h PHE 360 Cb 0.49 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.98 3fur h PHE 360 CO 0.00 0.13 -0.03 0.41 -1.61 0.00 0.00 178.31 177.21 3fur n GLY 361 N -1.52 -0.90 0.31 -1.45 0.00 -1.04 -3.14 105.19 97.46 3fur n GLY 361 Ca 0.00 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.89 3fur n GLY 361 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fur n ASP 362 N -0.88 1.58 -0.01 1.61 8.00 -0.85 -4.51 116.55 121.50 3fur n ASP 362 Ca 0.19 -1.26 -0.13 0.00 0.71 0.00 0.00 54.79 54.30 3fur n ASP 362 Cb 0.21 0.59 -0.10 0.00 -0.02 0.00 0.00 41.12 41.80 3fur n ASP 362 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3fur h PHE 363 N 1.53 -0.00 0.00 1.24 0.04 -1.64 -3.39 116.94 114.72 3fur h PHE 363 Ca 0.00 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 3fur h PHE 363 Cb 0.65 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 3fur h PHE 363 CO 0.00 0.46 -1.35 -0.12 -0.60 0.00 0.00 178.31 176.70 3fur n MET 364 N -4.87 0.62 -0.13 1.51 1.56 -1.26 -4.21 117.12 110.34 3fur n MET 364 Ca -0.08 0.11 -0.04 0.00 -0.27 0.00 0.00 57.70 57.41 3fur n MET 364 Cb 0.24 -1.76 0.04 0.00 2.15 0.00 0.00 33.22 33.89 3fur n MET 364 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 3fur h GLU 365 N 0.00 0.20 -0.34 2.12 4.57 -1.82 0.45 114.58 119.76 3fur h GLU 365 Ca -0.08 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.15 3fur h GLU 365 Cb 1.25 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.78 3fur h GLU 365 CO 0.02 0.13 0.24 -1.35 -1.18 0.00 0.00 179.01 176.87 3fur h PRO 366 N 0.21 0.18 -0.01 0.92 0.11 -1.80 -2.21 132.00 129.40 3fur h PRO 366 Ca 0.21 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.16 3fur h PRO 366 Cb 0.27 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 3fur h PRO 366 CO -0.29 0.12 -0.73 0.87 -0.21 0.00 0.00 178.00 177.77 3fur h LYS 367 N 0.19 0.06 -0.31 1.05 1.57 -1.14 -1.28 116.57 116.71 3fur h LYS 367 Ca 0.15 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.71 3fur h LYS 367 Cb 0.38 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 3fur h LYS 367 CO -0.02 0.76 -0.47 0.74 -0.57 0.00 0.00 179.45 179.88 3fur h PHE 368 N 0.04 1.03 0.05 -1.35 0.04 -0.79 0.16 116.94 116.11 3fur h PHE 368 Ca -0.01 -0.34 -0.00 0.00 2.80 0.00 0.00 57.97 60.42 3fur h PHE 368 Cb 1.28 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 39.23 3fur h PHE 368 CO 0.01 1.14 -0.02 0.93 -0.60 0.00 0.00 178.31 179.77 3fur h GLU 369 N 0.66 -0.06 -0.12 1.51 5.08 -1.34 -1.67 114.58 118.64 3fur h GLU 369 Ca 0.03 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3fur h GLU 369 Cb 1.06 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 3fur h GLU 369 CO 0.11 -0.03 -0.18 0.35 -1.00 0.00 0.00 179.01 178.26 3fur h PHE 370 N -0.08 -0.46 -0.58 4.33 3.57 -1.12 -3.26 116.94 119.35 3fur h PHE 370 Ca -0.01 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 3fur h PHE 370 Cb 0.06 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3fur h PHE 370 CO -0.07 -0.25 0.20 0.00 -2.23 0.00 0.00 178.31 175.96 3fur h ALA 371 N 0.79 0.76 -0.41 2.41 0.00 -0.44 -0.73 119.26 121.64 3fur h ALA 371 Ca 0.09 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3fur h ALA 371 Cb 0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3fur h ALA 371 CO -0.25 0.40 0.26 0.28 0.00 0.00 0.00 179.25 179.94 3fur h VAL 372 N 0.81 1.08 -0.36 0.00 2.07 -1.38 0.73 116.25 119.20 3fur h VAL 372 Ca 0.19 -0.18 -0.16 0.00 0.82 0.00 0.00 66.70 67.37 3fur h VAL 372 Cb 0.25 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3fur h VAL 372 CO -0.01 0.10 -0.42 0.11 0.02 0.00 0.00 177.57 177.37 3fur h LYS 373 N 0.53 0.91 -0.42 1.57 1.57 -1.56 -3.02 116.57 116.15 3fur h LYS 373 Ca 0.15 -0.51 -0.09 0.00 -1.87 0.00 0.00 60.65 58.34 3fur h LYS 373 Cb -0.04 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3fur h LYS 373 CO -0.05 1.15 -0.08 0.35 -0.57 0.00 0.00 179.45 180.25 3fur h PHE 374 N 0.72 0.90 0.00 -1.35 3.57 -0.66 -3.02 116.94 117.11 3fur h PHE 374 Ca 0.05 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 3fur h PHE 374 Cb 1.02 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 3fur h PHE 374 CO 0.07 0.91 -0.08 -0.91 -2.23 0.00 0.00 178.31 176.07 3fur h ASN 375 N 0.63 0.00 0.03 0.41 2.35 0.44 -2.08 115.58 117.35 3fur h ASN 375 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3fur h ASN 375 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3fur h ASN 375 CO 0.04 0.08 0.00 0.00 -1.65 0.00 0.00 177.43 175.89 3fur n ALA 376 N -2.20 2.67 0.45 -0.83 0.00 -1.14 -2.17 120.51 117.28 3fur n ALA 376 Ca -0.01 -0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.35 3fur n ALA 376 Cb 0.22 -1.51 0.27 0.00 0.00 0.00 0.00 19.45 18.43 3fur n ALA 376 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3fur h LEU 377 N 0.00 0.00 -1.15 0.00 3.38 -1.48 -3.49 115.31 112.58 3fur h LEU 377 Ca 0.00 -0.03 -0.32 0.00 0.09 0.00 0.00 57.88 57.62 3fur h LEU 377 Cb 0.02 0.00 0.13 0.00 0.09 0.00 0.00 40.66 40.89 3fur h LEU 377 CO 0.00 0.01 -0.61 -0.62 0.09 0.00 0.00 178.44 177.31 3fur n GLU 378 N -2.54 -6.49 -2.45 1.13 1.02 -0.92 -5.00 120.64 105.39 3fur n GLU 378 Ca 0.04 0.72 -0.36 0.00 -0.02 0.00 0.00 57.16 57.54 3fur n GLU 378 Cb 0.47 -5.41 -0.03 0.00 -0.02 0.00 0.00 31.44 26.45 3fur n GLU 378 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3fur s LEU 379 N -6.21 4.03 0.53 -4.62 1.43 -1.26 -5.07 118.68 107.52 3fur s LEU 379 Ca 0.34 2.10 0.07 0.00 -1.03 0.00 0.00 54.13 55.61 3fur s LEU 379 Cb -0.15 -4.29 0.04 0.00 0.03 0.00 0.00 46.19 41.83 3fur s LEU 379 CO 0.63 -0.70 0.51 1.51 0.23 0.00 0.00 176.35 178.53 3fur s ASP 380 N -1.59 4.82 0.36 2.29 1.47 -1.26 -4.95 116.67 117.81 3fur s ASP 380 Ca 0.62 -1.06 0.06 0.00 1.18 0.00 0.00 52.55 53.34 3fur s ASP 380 Cb -0.23 0.25 0.74 0.00 -0.34 0.00 0.00 42.92 43.34 3fur s ASP 380 CO 0.28 -1.11 1.94 0.44 0.68 0.00 0.00 175.17 177.40 3fur h ASP 381 N 0.63 0.67 -0.45 2.11 3.32 -1.97 -1.77 116.42 118.96 3fur h ASP 381 Ca -0.35 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.63 3fur h ASP 381 Cb 1.29 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 3fur h ASP 381 CO 0.53 0.42 0.01 0.77 -1.72 0.00 0.00 179.24 179.25 3fur h SER 382 N 0.76 0.83 -0.03 6.45 4.64 -1.96 -1.99 113.55 122.26 3fur h SER 382 Ca 0.34 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 3fur h SER 382 Cb 0.34 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3fur h SER 382 CO -0.12 0.89 -0.01 0.44 -0.87 0.00 0.00 176.83 177.16 3fur h ASP 383 N 0.80 0.06 -0.91 4.97 3.32 -1.74 -3.30 116.42 119.63 3fur h ASP 383 Ca 0.15 -0.36 0.08 0.00 0.02 0.00 0.00 57.03 56.92 3fur h ASP 383 Cb 0.47 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.93 3fur h ASP 383 CO 0.02 0.40 0.56 -0.07 -1.72 0.00 0.00 179.24 178.43 3fur h LEU 384 N -0.29 0.87 -0.64 1.55 3.38 -1.26 -2.37 115.31 116.55 3fur h LEU 384 Ca 0.01 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.12 3fur h LEU 384 Cb 0.37 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 3fur h LEU 384 CO 0.00 0.53 0.20 0.00 0.09 0.00 0.00 178.44 179.26 3fur h ALA 385 N 1.44 0.82 0.03 1.53 0.00 -1.43 -0.61 119.26 121.04 3fur h ALA 385 Ca 0.41 0.11 -0.27 0.00 0.00 0.00 0.00 54.91 55.16 3fur h ALA 385 Cb 0.25 0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.18 3fur h ALA 385 CO -0.20 -0.25 -1.10 0.82 0.00 0.00 0.00 179.25 178.52 3fur h ILE 386 N 0.34 1.29 -0.63 0.00 2.04 -1.65 -2.85 117.51 116.05 3fur h ILE 386 Ca 0.34 -2.32 0.08 0.00 1.00 0.00 0.00 64.86 63.96 3fur h ILE 386 Cb 0.49 2.47 -0.07 0.00 -0.74 0.00 0.00 36.82 38.97 3fur h ILE 386 CO -0.38 0.71 0.29 0.15 0.00 0.00 0.00 178.15 178.93 3fur h PHE 387 N 0.35 0.52 -0.23 1.37 3.57 -1.11 -1.95 116.94 119.45 3fur h PHE 387 Ca -0.14 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.35 3fur h PHE 387 Cb 1.75 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 40.35 3fur h PHE 387 CO 0.10 0.19 0.02 0.82 -2.23 0.00 0.00 178.31 177.21 3fur h ILE 388 N 0.52 1.24 -0.35 1.41 1.08 -1.19 -2.80 117.51 117.41 3fur h ILE 388 Ca 0.31 -0.82 0.02 0.00 -0.39 0.00 0.00 64.86 63.99 3fur h ILE 388 Cb 0.32 1.32 -0.03 0.00 -3.07 0.00 0.00 36.82 35.36 3fur h ILE 388 CO -0.26 0.26 0.18 0.00 -0.69 0.00 0.00 178.15 177.64 3fur h ALA 389 N 0.83 0.43 -0.49 1.87 0.00 -1.30 -2.21 119.26 118.39 3fur h ALA 389 Ca 0.07 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3fur h ALA 389 Cb 0.36 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3fur h ALA 389 CO 0.01 -0.19 0.18 0.28 0.00 0.00 0.00 179.25 179.53 3fur h VAL 390 N 0.37 0.85 -0.89 0.00 2.07 -1.35 -2.41 116.25 114.88 3fur h VAL 390 Ca 0.15 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3fur h VAL 390 Cb 0.05 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 3fur h VAL 390 CO -0.10 0.07 0.52 0.40 0.02 0.00 0.00 177.57 178.48 3fur h ILE 391 N 0.37 1.25 -0.48 4.57 2.04 -1.27 -3.08 117.51 120.90 3fur h ILE 391 Ca 0.23 -0.57 -0.10 0.00 1.00 0.00 0.00 64.86 65.42 3fur h ILE 391 Cb 0.23 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 3fur h ILE 391 CO -0.23 0.27 -0.11 0.40 0.00 0.00 0.00 178.15 178.48 3fur h ILE 392 N 1.23 1.27 -0.72 -0.67 2.04 -1.10 -3.08 117.51 116.49 3fur h ILE 392 Ca 0.32 -1.23 -0.55 0.00 1.00 0.00 0.00 64.86 64.39 3fur h ILE 392 Cb -0.03 1.08 -0.10 0.00 -0.74 0.00 0.00 36.82 37.03 3fur h ILE 392 CO -0.06 0.43 1.49 0.18 0.00 0.00 0.00 178.15 180.19 3fur n LEU 393 N -4.23 7.15 -4.67 1.44 7.99 -0.93 -4.80 117.00 118.95 3fur n LEU 393 Ca 0.00 -4.22 -0.41 0.00 -0.01 0.00 0.00 56.01 51.37 3fur n LEU 393 Cb 0.39 -1.36 -0.04 0.00 -0.11 0.00 0.00 43.42 42.29 3fur n LEU 393 CO 0.44 1.89 0.58 -0.44 -1.51 0.00 0.00 177.39 178.35 3fur s SER 394 N 0.97 6.91 0.00 -1.43 0.01 -1.17 -4.51 113.70 114.49 3fur s SER 394 Ca 0.61 1.12 0.29 0.00 1.31 0.00 0.00 55.95 59.28 3fur s SER 394 Cb 0.27 -2.44 1.43 0.00 0.21 0.00 0.00 66.02 65.49 3fur s SER 394 CO -0.11 -0.38 2.00 0.61 0.41 0.00 0.00 173.24 175.77 3fur n GLY 395 N 3.51 -1.31 1.01 3.44 0.00 -1.26 -3.73 105.19 106.85 3fur n GLY 395 Ca 0.04 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.02 3fur n GLY 395 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fur n ASP 396 N -1.33 3.35 -4.76 1.61 5.75 -1.26 -4.88 116.55 115.03 3fur n ASP 396 Ca 0.12 -1.95 -0.39 0.00 -0.01 0.00 0.00 54.79 52.56 3fur n ASP 396 Cb 0.26 -0.30 0.02 0.00 -1.03 0.00 0.00 41.12 40.07 3fur n ASP 396 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3fur s ARG 397 N -1.13 3.49 0.33 0.11 1.81 -1.24 -4.96 118.95 117.36 3fur s ARG 397 Ca 0.35 2.29 -0.29 0.00 -1.72 0.00 0.00 55.73 56.37 3fur s ARG 397 Cb 0.19 -2.49 -0.10 0.00 -0.45 0.00 0.00 34.95 32.10 3fur s ARG 397 CO 0.26 -0.93 1.32 -2.14 -0.68 0.00 0.00 175.30 173.13 3fur s PRO 398 N -2.63 4.34 0.00 3.54 0.02 -1.26 -3.64 135.00 135.38 3fur s PRO 398 Ca 0.65 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.90 3fur s PRO 398 Cb -0.41 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.04 3fur s PRO 398 CO 0.51 -0.21 0.00 0.41 -0.33 0.00 0.00 177.00 177.38 3fur n GLY 399 N 0.87 0.70 3.75 0.52 0.00 -1.26 -5.02 105.19 104.75 3fur n GLY 399 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3fur n GLY 399 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fur s LEU 400 N 0.00 4.40 -0.14 0.99 1.43 -1.24 -4.94 118.68 119.18 3fur s LEU 400 Ca 0.00 2.64 -0.23 0.00 -1.03 0.00 0.00 54.13 55.51 3fur s LEU 400 Cb 0.00 -3.63 -0.20 0.00 0.03 0.00 0.00 46.19 42.39 3fur s LEU 400 CO 0.00 -0.64 0.58 -0.07 0.23 0.00 0.00 176.35 176.45 3fur h LEU 401 N 4.63 0.00 -7.31 1.79 3.38 -1.95 -3.42 115.31 112.43 3fur h LEU 401 Ca -0.47 -0.76 -0.66 0.00 0.09 0.00 0.00 57.88 56.08 3fur h LEU 401 Cb 1.22 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.58 3fur h LEU 401 CO 0.74 0.92 -0.45 0.20 0.09 0.00 0.00 178.44 179.94 3fur s ASN 402 N -6.11 4.99 0.14 -0.43 0.02 -1.26 -4.96 114.94 107.34 3fur s ASN 402 Ca -0.16 -3.38 -0.16 0.00 -1.02 0.00 0.00 52.86 48.14 3fur s ASN 402 Cb -0.02 -1.74 0.00 0.00 0.02 0.00 0.00 41.25 39.52 3fur s ASN 402 CO 0.54 -0.20 1.77 0.58 0.02 0.00 0.00 177.10 179.81 3fur h VAL 403 N 4.83 1.13 -0.15 1.60 2.07 -1.90 -3.35 116.25 120.48 3fur h VAL 403 Ca 0.05 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.31 3fur h VAL 403 Cb 0.85 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 3fur h VAL 403 CO 0.73 0.13 -0.27 0.11 0.02 0.00 0.00 177.57 178.30 3fur h LYS 404 N 0.51 -0.31 0.00 1.57 1.79 -1.95 -1.87 116.57 116.32 3fur h LYS 404 Ca 0.14 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.61 3fur h LYS 404 Cb 0.01 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.73 3fur h LYS 404 CO -0.03 -0.21 -0.09 -1.00 -1.08 0.00 0.00 179.45 177.05 3fur h PRO 405 N -0.33 0.00 -0.08 3.15 0.13 -2.00 -0.92 132.00 131.95 3fur h PRO 405 Ca 0.11 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.20 3fur h PRO 405 Cb 0.49 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 3fur h PRO 405 CO -0.34 0.09 -0.09 0.82 -0.23 0.00 0.00 178.00 178.25 3fur h ILE 406 N 0.00 1.38 -0.45 -3.56 2.04 -1.56 -2.75 117.51 112.61 3fur h ILE 406 Ca -0.00 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 3fur h ILE 406 Cb 0.22 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 3fur h ILE 406 CO 0.01 0.35 0.24 -0.33 0.00 0.00 0.00 178.15 178.43 3fur h GLU 407 N -0.24 0.62 -0.46 2.37 5.08 -0.97 0.56 114.58 121.54 3fur h GLU 407 Ca 0.01 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 3fur h GLU 407 Cb 0.61 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3fur h GLU 407 CO 0.02 0.46 -0.11 -0.44 -1.00 0.00 0.00 179.01 177.94 3fur h ASP 408 N 0.63 0.83 -0.15 1.42 3.32 -1.19 0.52 116.42 121.81 3fur h ASP 408 Ca 0.16 -0.26 -0.18 0.00 0.02 0.00 0.00 57.03 56.78 3fur h ASP 408 Cb 0.02 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.36 3fur h ASP 408 CO -0.03 0.96 -0.60 0.40 -1.72 0.00 0.00 179.24 178.25 3fur h ILE 409 N 0.76 1.32 -0.52 0.35 2.04 -1.08 -3.03 117.51 117.35 3fur h ILE 409 Ca 0.13 -1.85 0.02 0.00 1.00 0.00 0.00 64.86 64.15 3fur h ILE 409 Cb 0.61 2.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 3fur h ILE 409 CO 0.04 0.58 0.32 -0.61 0.00 0.00 0.00 178.15 178.48 3fur h GLN 410 N 0.35 0.63 -0.21 2.37 4.15 -0.72 -0.53 115.11 121.16 3fur h GLN 410 Ca -0.03 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.39 3fur h GLN 410 Cb 1.23 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.74 3fur h GLN 410 CO 0.13 0.42 -0.04 -0.44 -1.93 0.00 0.00 178.83 176.96 3fur h ASP 411 N 0.65 -0.17 -0.91 -0.69 3.32 -0.95 0.26 116.42 117.93 3fur h ASP 411 Ca 0.20 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.33 3fur h ASP 411 Cb -0.02 0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3fur h ASP 411 CO -0.07 -0.06 0.60 -1.13 -1.72 0.00 0.00 179.24 176.86 3fur h ASN 412 N 0.01 1.02 -0.52 6.45 -1.24 -1.38 -2.12 115.58 117.80 3fur h ASN 412 Ca 0.10 -0.02 -0.06 0.00 0.71 0.00 0.00 56.30 57.03 3fur h ASN 412 Cb 0.15 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 3fur h ASN 412 CO -0.20 0.73 0.10 -0.07 -1.29 0.00 0.00 177.43 176.69 3fur h LEU 413 N 1.20 0.82 -1.02 0.34 3.38 -0.26 -2.23 115.31 117.54 3fur h LEU 413 Ca 0.34 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3fur h LEU 413 Cb -0.08 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.40 3fur h LEU 413 CO -0.09 0.87 0.66 -0.07 0.09 0.00 0.00 178.44 179.90 3fur h LEU 414 N 0.74 1.14 -1.20 1.67 3.38 -0.39 -0.15 115.31 120.50 3fur h LEU 414 Ca 0.16 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3fur h LEU 414 Cb 0.39 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3fur h LEU 414 CO 0.01 0.82 0.44 1.56 0.09 0.00 0.00 178.44 181.36 3fur h GLN 415 N 1.34 0.99 -0.34 1.13 4.20 -1.29 -0.49 115.11 120.65 3fur h GLN 415 Ca 0.37 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.86 3fur h GLN 415 Cb -0.14 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.42 3fur h GLN 415 CO -0.08 0.69 -0.33 0.00 -0.67 0.00 0.00 178.83 178.43 3fur h ALA 416 N 1.48 0.78 -0.20 3.87 0.00 -0.73 -2.53 119.26 121.94 3fur h ALA 416 Ca 0.26 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3fur h ALA 416 Cb -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3fur h ALA 416 CO -0.05 0.65 -0.03 1.25 0.00 0.00 0.00 179.25 181.07 3fur h LEU 417 N 0.63 0.37 -0.43 0.00 5.85 -0.80 -1.45 115.31 119.49 3fur h LEU 417 Ca 0.07 -0.34 0.08 0.00 0.84 0.00 0.00 57.88 58.53 3fur h LEU 417 Cb 0.86 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.72 3fur h LEU 417 CO 0.08 0.63 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.67 3fur h GLU 418 N 0.11 0.05 -0.48 1.25 4.81 -1.04 -1.27 114.58 118.01 3fur h GLU 418 Ca 0.05 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 3fur h GLU 418 Cb 0.45 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 3fur h GLU 418 CO 0.02 0.03 -0.14 1.25 -0.73 0.00 0.00 179.01 179.44 3fur h LEU 419 N 0.05 0.95 -0.64 1.64 5.85 -1.42 -2.34 115.31 119.39 3fur h LEU 419 Ca 0.21 -0.37 0.07 0.00 0.84 0.00 0.00 57.88 58.62 3fur h LEU 419 Cb 0.32 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 3fur h LEU 419 CO -0.40 1.11 0.34 -0.61 -0.34 0.00 0.00 178.44 178.53 3fur h GLN 420 N 0.79 0.60 -0.15 1.25 5.75 -0.98 -1.29 115.11 121.07 3fur h GLN 420 Ca 0.12 -0.04 -0.20 0.00 -0.15 0.00 0.00 58.65 58.38 3fur h GLN 420 Cb 0.70 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.12 3fur h GLN 420 CO 0.05 0.40 -0.72 -0.07 -2.65 0.00 0.00 178.83 175.84 3fur h LEU 421 N 0.62 0.80 -0.58 -2.39 3.38 -1.19 0.20 115.31 116.15 3fur h LEU 421 Ca 0.30 -0.50 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 3fur h LEU 421 Cb 0.22 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3fur h LEU 421 CO -0.20 1.28 0.13 0.11 0.09 0.00 0.00 178.44 179.84 3fur h LYS 422 N 0.48 0.94 -0.05 1.13 1.79 -1.33 0.22 116.57 119.74 3fur h LYS 422 Ca -0.03 -0.23 -0.22 0.00 -2.18 0.00 0.00 60.65 57.99 3fur h LYS 422 Cb 1.32 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 31.87 3fur h LYS 422 CO 0.14 0.88 -0.81 -0.07 -1.08 0.00 0.00 179.45 178.51 3fur h LEU 423 N 0.84 0.81 0.00 2.94 3.38 -1.19 -3.04 115.31 119.05 3fur h LEU 423 Ca 0.18 -0.70 -0.25 0.00 0.09 0.00 0.00 57.88 57.20 3fur h LEU 423 Cb 0.37 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3fur h LEU 423 CO 0.00 1.39 -1.60 -3.20 0.09 0.00 0.00 178.44 175.13 3fur n ASN 424 N -4.00 0.87 -3.06 -0.43 5.15 0.71 -4.43 115.26 110.06 3fur n ASN 424 Ca -0.10 0.40 -0.22 0.00 -0.60 0.00 0.00 54.58 54.07 3fur n ASN 424 Cb 0.77 0.02 -0.03 0.00 -0.53 0.00 0.00 39.78 40.00 3fur n ASN 424 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3fur n HIS 425 N -2.99 1.83 -0.02 1.20 8.25 0.06 -4.97 115.22 118.59 3fur n HIS 425 Ca -0.14 -3.85 0.14 0.00 -0.26 0.00 0.00 57.72 53.61 3fur n HIS 425 Cb 0.97 -0.44 0.58 0.00 1.12 0.00 0.00 29.99 32.22 3fur n HIS 425 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3fur h PRO 426 N 2.98 0.22 -0.56 -0.41 0.13 -1.60 -2.64 132.00 130.13 3fur h PRO 426 Ca 0.11 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3fur h PRO 426 Cb 0.78 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3fur h PRO 426 CO 0.64 0.15 0.00 0.39 -0.23 0.00 0.00 178.00 178.94 3fur n GLU 427 N -4.45 3.19 -3.15 0.86 1.02 -1.26 -4.91 120.64 111.94 3fur n GLU 427 Ca 0.08 -2.62 -0.42 0.00 -0.02 0.00 0.00 57.16 54.18 3fur n GLU 427 Cb 0.42 -1.65 -0.07 0.00 -0.02 0.00 0.00 31.44 30.12 3fur n GLU 427 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3fur s SER 428 N -1.06 6.34 0.04 1.62 0.15 -0.99 -5.00 113.70 114.81 3fur s SER 428 Ca 0.43 -0.14 -0.30 0.00 0.70 0.00 0.00 55.95 56.64 3fur s SER 428 Cb 0.26 -2.30 -0.09 0.00 -1.71 0.00 0.00 66.02 62.18 3fur s SER 428 CO 0.23 -0.64 1.94 -0.55 1.20 0.00 0.00 173.24 175.43 3fur s SER 429 N 1.87 6.45 -1.47 5.45 0.15 -1.26 -2.95 113.70 121.94 3fur s SER 429 Ca 0.22 2.67 -0.11 0.00 0.70 0.00 0.00 55.95 59.42 3fur s SER 429 Cb -0.15 -2.53 0.07 0.00 -1.71 0.00 0.00 66.02 61.70 3fur s SER 429 CO 0.16 -1.05 0.80 0.00 1.20 0.00 0.00 173.24 174.35 3fur n GLN 430 N 7.35 -4.86 -0.25 5.44 1.13 -1.26 -4.87 117.38 120.06 3fur n GLN 430 Ca 0.20 0.61 -0.05 0.00 -1.94 0.00 0.00 57.00 55.81 3fur n GLN 430 Cb 0.41 -5.45 0.05 0.00 0.11 0.00 0.00 30.24 25.36 3fur n GLN 430 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3fur h LEU 431 N -1.68 0.79 0.11 1.08 5.85 -1.92 -0.77 115.31 118.77 3fur h LEU 431 Ca -0.53 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.18 3fur h LEU 431 Cb 1.35 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3fur h LEU 431 CO 0.62 0.57 -0.19 0.15 -0.34 0.00 0.00 178.44 179.25 3fur h PHE 432 N 0.93 -0.50 -0.73 1.25 3.57 -1.89 0.14 116.94 119.70 3fur h PHE 432 Ca 0.25 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 3fur h PHE 432 Cb -0.11 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 3fur h PHE 432 CO -0.03 -0.28 0.26 0.00 -2.23 0.00 0.00 178.31 176.03 3fur h ALA 433 N 0.44 1.08 -0.36 2.41 0.00 -1.90 -1.46 119.26 119.48 3fur h ALA 433 Ca 0.02 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.79 3fur h ALA 433 Cb 0.39 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3fur h ALA 433 CO -0.10 0.64 0.03 0.87 0.00 0.00 0.00 179.25 180.68 3fur h LYS 434 N 1.07 0.13 -0.63 0.00 1.57 -0.94 -1.69 116.57 116.08 3fur h LYS 434 Ca 0.24 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.96 3fur h LYS 434 Cb 0.25 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 3fur h LYS 434 CO -0.01 0.09 0.19 -0.07 -0.57 0.00 0.00 179.45 179.07 3fur h LEU 435 N 0.13 0.88 -0.97 2.94 3.38 -0.12 -2.00 115.31 119.56 3fur h LEU 435 Ca 0.17 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3fur h LEU 435 Cb 0.22 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3fur h LEU 435 CO -0.27 0.83 -0.07 -0.07 0.09 0.00 0.00 178.44 178.96 3fur h LEU 436 N 0.92 0.65 -0.78 1.67 3.38 -1.06 -1.96 115.31 118.13 3fur h LEU 436 Ca 0.21 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3fur h LEU 436 Cb 0.27 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3fur h LEU 436 CO -0.01 0.76 0.12 -0.61 0.09 0.00 0.00 178.44 178.79 3fur h GLN 437 N 0.62 1.04 -0.74 1.13 5.75 -0.99 -2.82 115.11 119.12 3fur h GLN 437 Ca 0.12 -0.26 0.08 0.00 -0.15 0.00 0.00 58.65 58.44 3fur h GLN 437 Cb 0.49 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.86 3fur h GLN 437 CO 0.03 0.95 0.48 0.87 -2.65 0.00 0.00 178.83 178.51 3fur h LYS 438 N 0.98 0.67 -0.76 1.69 1.79 -0.64 0.62 116.57 120.93 3fur h LYS 438 Ca 0.20 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.57 3fur h LYS 438 Cb 0.40 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 3fur h LYS 438 CO 0.01 0.45 0.25 0.52 -1.08 0.00 0.00 179.45 179.60 3fur h MET 439 N 0.69 1.16 -0.45 3.15 2.86 -1.16 0.16 114.93 121.35 3fur h MET 439 Ca 0.33 -0.24 -0.06 0.00 -2.06 0.00 0.00 59.70 57.67 3fur h MET 439 Cb 0.38 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3fur h MET 439 CO -0.12 0.98 0.05 1.15 1.06 0.00 0.00 176.91 180.03 3fur h THR 440 N 1.12 1.25 -0.54 2.22 2.02 -1.16 -2.90 112.91 114.93 3fur h THR 440 Ca 0.25 -0.95 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 3fur h THR 440 Cb 0.28 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 3fur h THR 440 CO -0.01 0.33 0.27 0.44 0.37 0.00 0.00 175.52 176.92 3fur h ASP 441 N 0.61 0.66 -0.45 4.18 3.32 -0.38 -2.49 116.42 121.87 3fur h ASP 441 Ca 0.13 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3fur h ASP 441 Cb 0.42 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3fur h ASP 441 CO 0.01 0.56 0.23 -0.07 -1.72 0.00 0.00 179.24 178.25 3fur h LEU 442 N 0.75 0.62 -0.88 1.55 3.38 -0.50 -2.18 115.31 118.04 3fur h LEU 442 Ca 0.19 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3fur h LEU 442 Cb 0.06 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3fur h LEU 442 CO -0.03 0.53 0.22 0.03 0.09 0.00 0.00 178.44 179.28 3fur h ARG 443 N 0.69 1.05 -0.12 1.13 3.08 -1.26 -1.95 114.38 116.99 3fur h ARG 443 Ca 0.17 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3fur h ARG 443 Cb 0.08 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 3fur h ARG 443 CO -0.02 0.89 -0.01 1.96 -1.07 0.00 0.00 179.97 181.72 3fur h GLN 444 N 1.01 0.22 -0.80 0.04 1.08 -1.50 0.13 115.11 115.29 3fur h GLN 444 Ca 0.22 -0.07 0.15 0.00 -1.45 0.00 0.00 58.65 57.50 3fur h GLN 444 Cb 0.28 -0.02 -0.10 0.00 -0.05 0.00 0.00 27.48 27.59 3fur h GLN 444 CO -0.01 0.47 0.36 0.82 -0.95 0.00 0.00 178.83 179.52 3fur h ILE 445 N -0.06 0.66 -0.02 2.54 2.04 -1.29 -0.91 117.51 120.47 3fur h ILE 445 Ca 0.03 -0.17 -0.24 0.00 1.00 0.00 0.00 64.86 65.48 3fur h ILE 445 Cb 0.38 0.12 0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3fur h ILE 445 CO 0.01 0.09 -0.95 0.58 0.00 0.00 0.00 178.15 177.88 3fur h VAL 446 N 0.50 1.34 -0.32 1.67 2.07 -1.06 -1.63 116.25 118.81 3fur h VAL 446 Ca 0.45 -2.29 0.07 0.00 0.82 0.00 0.00 66.70 65.75 3fur h VAL 446 Cb 0.69 2.33 -0.07 0.00 -1.52 0.00 0.00 31.29 32.72 3fur h VAL 446 CO -0.41 0.70 -0.15 0.74 0.02 0.00 0.00 177.57 178.47 3fur h THR 447 N 0.34 0.53 -0.71 2.57 2.02 -0.25 0.36 112.91 117.77 3fur h THR 447 Ca -0.09 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 3fur h THR 447 Cb 1.59 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 3fur h THR 447 CO 0.18 0.00 0.17 -0.33 0.37 0.00 0.00 175.52 175.90 3fur h GLU 448 N -0.10 1.14 -0.76 6.66 5.08 -1.18 -2.04 114.58 123.37 3fur h GLU 448 Ca 0.16 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3fur h GLU 448 Cb 0.35 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 3fur h GLU 448 CO -0.39 1.01 0.50 1.25 -1.00 0.00 0.00 179.01 180.38 3fur h HIS 449 N 1.07 0.97 0.00 4.33 2.76 -0.79 -2.38 115.15 121.12 3fur h HIS 449 Ca 0.22 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.29 3fur h HIS 449 Cb 0.38 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 3fur h HIS 449 CO 0.03 0.62 -0.58 0.28 -1.30 0.00 0.00 177.93 176.98 3fur h VAL 450 N 1.04 1.28 -0.50 5.26 2.07 -0.75 -2.45 116.25 122.21 3fur h VAL 450 Ca 0.28 -2.09 0.04 0.00 0.82 0.00 0.00 66.70 65.75 3fur h VAL 450 Cb -0.11 2.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 3fur h VAL 450 CO -0.06 0.57 0.27 1.56 0.02 0.00 0.00 177.57 179.93 3fur h GLN 451 N 0.00 0.51 -0.54 1.57 4.20 -1.00 -1.13 115.11 118.71 3fur h GLN 451 Ca -0.01 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 3fur h GLN 451 Cb 1.12 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 3fur h GLN 451 CO 0.08 0.34 0.13 -0.07 -0.67 0.00 0.00 178.83 178.63 3fur h LEU 452 N 0.52 0.82 -0.80 1.46 3.38 -1.17 -1.59 115.31 117.94 3fur h LEU 452 Ca 0.21 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3fur h LEU 452 Cb 0.10 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3fur h LEU 452 CO -0.13 0.84 0.50 -0.07 0.09 0.00 0.00 178.44 179.66 3fur h LEU 453 N 0.76 0.80 0.05 1.67 3.38 -1.33 -0.25 115.31 120.39 3fur h LEU 453 Ca 0.17 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3fur h LEU 453 Cb 0.34 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3fur h LEU 453 CO 0.00 0.53 -0.04 1.56 0.09 0.00 0.00 178.44 180.58 3fur h GLN 454 N 0.94 -0.10 -0.81 1.13 1.08 -0.98 -0.15 115.11 116.22 3fur h GLN 454 Ca 0.33 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.63 3fur h GLN 454 Cb 0.09 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.47 3fur h GLN 454 CO -0.14 -0.06 0.46 0.28 -0.95 0.00 0.00 178.83 178.42 3fur h VAL 455 N -0.10 0.90 -0.54 -0.54 2.07 -1.00 0.81 116.25 117.86 3fur h VAL 455 Ca 0.00 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 3fur h VAL 455 Cb 0.10 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 3fur h VAL 455 CO -0.01 0.14 0.09 0.40 0.02 0.00 0.00 177.57 178.21 3fur h ILE 456 N 0.78 1.25 -0.41 4.57 2.04 -0.66 -1.28 117.51 123.80 3fur h ILE 456 Ca 0.39 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 3fur h ILE 456 Cb 0.36 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3fur h ILE 456 CO -0.25 0.34 0.13 0.50 0.00 0.00 0.00 178.15 178.87 3fur h LYS 457 N 0.77 0.63 -0.07 2.37 3.11 -0.36 0.19 116.57 123.21 3fur h LYS 457 Ca 0.16 -0.14 -0.10 0.00 -2.81 0.00 0.00 60.65 57.77 3fur h LYS 457 Cb 0.39 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.52 3fur h LYS 457 CO 0.01 0.63 -0.41 0.87 -2.81 0.00 0.00 179.45 177.74 3fur h LYS 458 N 0.52 0.16 0.00 1.90 1.57 -0.66 -3.39 116.57 116.66 3fur h LYS 458 Ca 0.13 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3fur h LYS 458 Cb 0.26 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3fur h LYS 458 CO -0.00 0.54 0.00 0.25 -0.57 0.00 0.00 179.45 179.67 3fur n THR 459 N -4.04 0.00 -4.04 -0.16 -2.24 -0.50 -5.05 114.28 98.25 3fur n THR 459 Ca -0.02 -0.23 -0.22 0.00 -2.27 0.00 0.00 64.05 61.32 3fur n THR 459 Cb 0.46 1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 69.86 3fur n THR 459 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3fur s GLU 460 N -0.28 2.87 1.08 -0.78 0.41 0.65 -5.02 118.70 117.63 3fur s GLU 460 Ca 0.00 -1.12 -0.15 0.00 -0.41 0.00 0.00 54.97 53.29 3fur s GLU 460 Cb 0.00 -2.54 0.14 0.00 -1.78 0.00 0.00 34.13 29.95 3fur s GLU 460 CO 0.00 0.32 0.41 -2.37 -0.49 0.00 0.00 175.26 173.13 3fur n THR 461 N -1.23 0.00 -2.16 3.63 5.66 -1.26 -4.81 114.28 114.10 3fur n THR 461 Ca -0.06 -0.29 -0.42 0.00 -3.05 0.00 0.00 64.05 60.23 3fur n THR 461 Cb 0.58 -0.73 -0.03 0.00 -1.55 0.00 0.00 70.33 68.61 3fur n THR 461 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3fur s ASP 462 N -2.07 6.81 0.00 1.09 1.11 -1.26 -4.91 116.67 117.45 3fur s ASP 462 Ca 0.60 2.31 0.24 0.00 0.18 0.00 0.00 52.55 55.88 3fur s ASP 462 Cb -0.18 -2.58 0.83 0.00 1.07 0.00 0.00 42.92 42.06 3fur s ASP 462 CO 0.66 -0.67 1.61 0.23 1.18 0.00 0.00 175.17 178.17 3fur n MET 463 N 4.20 1.78 -3.72 8.23 2.81 -1.26 -4.97 117.12 124.19 3fur n MET 463 Ca 0.12 -1.15 -0.30 0.00 -1.81 0.00 0.00 57.70 54.55 3fur n MET 463 Cb 0.42 -1.44 0.03 0.00 -0.71 0.00 0.00 33.22 31.53 3fur n MET 463 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3fur n SER 464 N 0.38 -4.37 -4.61 7.83 7.64 -1.26 -4.85 113.62 114.38 3fur n SER 464 Ca 0.17 -1.01 -0.39 0.00 1.01 0.00 0.00 58.87 58.66 3fur n SER 464 Cb 0.37 -3.36 0.04 0.00 -1.01 0.00 0.00 64.21 60.25 3fur n SER 464 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3fur n LEU 465 N -4.23 3.25 -4.75 -3.43 4.32 -1.26 -4.90 117.00 106.00 3fur n LEU 465 Ca -0.13 0.86 -0.41 0.00 -0.02 0.00 0.00 56.01 56.30 3fur n LEU 465 Cb 0.61 -1.37 -0.02 0.00 -1.62 0.00 0.00 43.42 41.02 3fur n LEU 465 CO 0.68 -1.83 1.23 -2.28 -1.22 0.00 0.00 177.39 173.97 3fur s HIS 466 N -1.47 2.77 0.48 -1.77 5.65 -1.26 -4.85 115.29 114.84 3fur s HIS 466 Ca 0.72 0.82 0.20 0.00 0.25 0.00 0.00 55.06 57.05 3fur s HIS 466 Cb -0.45 -4.04 1.22 0.00 -1.18 0.00 0.00 32.58 28.13 3fur s HIS 466 CO 0.50 -3.48 1.97 -1.35 -0.65 0.00 0.00 174.74 171.74 3fur h PRO 467 N 4.81 0.19 -0.16 2.88 0.10 -2.00 -1.34 132.00 136.49 3fur h PRO 467 Ca -0.47 -0.01 -0.01 0.00 0.10 0.00 0.00 66.00 65.61 3fur h PRO 467 Cb 1.22 -0.04 -0.01 0.00 0.10 0.00 0.00 31.00 32.27 3fur h PRO 467 CO 0.79 0.13 0.08 1.25 0.10 0.00 0.00 178.00 180.35 3fur h LEU 468 N 0.20 0.21 -1.15 2.35 5.85 -2.01 -2.73 115.31 118.03 3fur h LEU 468 Ca 0.29 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 3fur h LEU 468 Cb 0.85 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 3fur h LEU 468 CO -0.05 0.26 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.18 3fur h LEU 469 N 0.14 0.49 -0.14 2.25 4.07 -1.76 -3.03 115.31 117.33 3fur h LEU 469 Ca 0.06 -0.11 0.04 0.00 0.08 0.00 0.00 57.88 57.95 3fur h LEU 469 Cb 0.11 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.67 3fur h LEU 469 CO -0.01 0.61 -0.13 1.56 -1.08 0.00 0.00 178.44 179.38 3fur h GLN 470 N 0.49 -0.15 -0.78 1.13 4.20 -1.08 -0.86 115.11 118.06 3fur h GLN 470 Ca 0.10 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.88 3fur h GLN 470 Cb 0.41 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.17 3fur h GLN 470 CO 0.02 -0.10 0.47 0.93 -0.67 0.00 0.00 178.83 179.48 3fur h GLU 471 N -0.16 0.83 -0.56 1.46 5.08 -1.40 0.79 114.58 120.63 3fur h GLU 471 Ca 0.09 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 3fur h GLU 471 Cb 0.29 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3fur h GLU 471 CO -0.24 0.55 -0.09 0.82 -1.00 0.00 0.00 179.01 179.06 3fur h ILE 472 N 0.86 1.27 0.00 3.13 2.04 -1.41 -3.25 117.51 120.15 3fur h ILE 472 Ca 0.34 -1.25 -0.13 0.00 1.00 0.00 0.00 64.86 64.82 3fur h ILE 472 Cb 0.16 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3fur h ILE 472 CO -0.17 0.44 -0.61 1.88 0.00 0.00 0.00 178.15 179.70 3fur h TYR 473 N 0.92 0.00 -0.66 1.37 0.05 -0.34 -3.31 116.97 115.00 3fur h TYR 473 Ca 0.15 0.00 0.14 0.00 0.05 0.00 0.00 58.73 59.07 3fur h TYR 473 Cb 0.66 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 38.29 3fur h TYR 473 CO 0.05 0.61 0.05 -0.22 -1.05 0.00 0.00 178.16 177.59 3fur h LYS 474 N 0.00 0.15 0.00 4.88 3.11 -0.90 -2.79 116.57 121.01 3fur h LYS 474 Ca -0.01 -0.01 -0.11 0.00 -2.81 0.00 0.00 60.65 57.71 3fur h LYS 474 Cb 1.30 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.47 3fur h LYS 474 CO 0.08 0.10 -1.45 -0.25 -2.81 0.00 0.00 179.45 175.12 3fur n ASP 475 N -5.26 0.68 0.01 4.20 10.43 -1.25 -4.07 116.55 121.29 3fur n ASP 475 Ca 0.11 0.29 0.11 0.00 2.57 0.00 0.00 54.79 57.87 3fur n ASP 475 Cb 0.39 0.55 0.10 0.00 1.84 0.00 0.00 41.12 44.00 3fur n ASP 475 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3fur n LEU 476 N -2.73 0.67 0.00 0.64 -0.00 -1.20 -5.17 117.00 109.20 3fur n LEU 476 Ca -0.08 -0.14 0.00 0.00 -0.00 0.00 0.00 56.01 55.79 3fur n LEU 476 Cb 0.74 -0.15 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 3fur n LEU 476 CO 0.42 0.14 0.10 -1.22 -0.00 0.00 0.00 177.39 176.84