#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a8x n MET 237 N 0.00 1.50 -1.56 0.00 2.00 -1.26 -5.05 117.12 112.74 3a8x n MET 237 Ca 0.00 -3.21 -0.31 0.00 0.00 0.00 0.00 57.70 54.18 3a8x n MET 237 Cb 0.00 -1.49 0.06 0.00 0.00 0.00 0.00 33.22 31.80 3a8x n MET 237 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3a8x s ASP 238 N -3.13 5.14 0.59 7.83 -0.00 -1.26 -5.00 116.67 120.84 3a8x s ASP 238 Ca 0.38 1.54 -0.20 0.00 -0.00 0.00 0.00 52.55 54.27 3a8x s ASP 238 Cb 0.37 -2.38 -0.04 0.00 -0.00 0.00 0.00 42.92 40.88 3a8x s ASP 238 CO -0.08 -1.59 1.30 -2.65 -0.00 0.00 0.00 175.17 172.16 3a8x n PRO 239 N -3.21 1.41 -1.72 8.23 -0.02 -1.26 -4.86 135.00 133.56 3a8x n PRO 239 Ca 0.07 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 3a8x n PRO 239 Cb 0.54 -2.52 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 3a8x n PRO 239 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3a8x n LEU 240 N -1.30 3.92 0.00 2.45 4.77 -1.26 -5.01 117.00 120.57 3a8x n LEU 240 Ca 0.13 1.18 -0.09 0.00 -0.03 0.00 0.00 56.01 57.20 3a8x n LEU 240 Cb 0.46 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 39.99 3a8x n LEU 240 CO 0.51 -0.19 -0.01 0.61 -1.33 0.00 0.00 177.39 176.98 3a8x n GLY 241 N 1.36 3.23 0.37 -0.72 0.00 -1.26 -4.79 105.19 103.37 3a8x n GLY 241 Ca 0.06 -1.69 0.03 0.00 0.00 0.00 0.00 46.02 44.43 3a8x n GLY 241 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3a8x h LEU 242 N 0.00 1.02 -2.25 0.99 5.85 -1.95 -0.33 115.31 118.64 3a8x h LEU 242 Ca -0.12 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3a8x h LEU 242 Cb 0.58 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 3a8x h LEU 242 CO 0.17 0.64 0.25 0.06 -0.34 0.00 0.00 178.44 179.22 3a8x h GLN 243 N 1.15 0.00 -0.01 1.25 -0.00 -1.98 -1.51 115.11 114.01 3a8x h GLN 243 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.09 3a8x h GLN 243 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.70 3a8x h GLN 243 CO -0.19 0.00 -0.04 -0.25 -0.00 0.00 0.00 178.83 178.35 3a8x n ASP 244 N -2.96 0.82 -4.44 0.06 8.00 -0.13 -4.86 116.55 113.05 3a8x n ASP 244 Ca -0.02 -1.11 -0.31 0.00 0.71 0.00 0.00 54.79 54.06 3a8x n ASP 244 Cb 0.31 -0.01 -0.13 0.00 -0.02 0.00 0.00 41.12 41.27 3a8x n ASP 244 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3a8x s PHE 245 N -2.14 2.54 -0.13 1.24 0.40 -0.57 -1.48 117.98 117.84 3a8x s PHE 245 Ca 0.38 -0.27 -0.15 0.00 -0.60 0.00 0.00 56.93 56.29 3a8x s PHE 245 Cb 0.21 -1.50 -0.05 0.00 0.51 0.00 0.00 43.02 42.20 3a8x s PHE 245 CO 0.39 0.20 0.35 -0.51 0.70 0.00 0.00 175.22 176.35 3a8x s ASP 246 N -1.19 6.55 -0.11 1.36 1.01 0.39 -4.93 116.67 119.76 3a8x s ASP 246 Ca 0.13 0.65 -0.28 0.00 0.71 0.00 0.00 52.55 53.76 3a8x s ASP 246 Cb -0.10 -2.22 -0.02 0.00 1.01 0.00 0.00 42.92 41.59 3a8x s ASP 246 CO 0.03 0.11 0.94 -0.76 0.21 0.00 0.00 175.17 175.71 3a8x s LEU 247 N 0.27 4.25 -0.18 1.23 1.43 -1.26 -0.71 118.68 123.71 3a8x s LEU 247 Ca 0.20 1.44 -0.01 0.00 -1.03 0.00 0.00 54.13 54.73 3a8x s LEU 247 Cb -0.14 -3.45 -0.11 0.00 0.03 0.00 0.00 46.19 42.52 3a8x s LEU 247 CO 0.07 -0.39 -0.18 0.18 0.23 0.00 0.00 176.35 176.26 3a8x n LEU 248 N 4.86 2.58 -3.54 1.79 4.77 0.21 -4.97 117.00 122.70 3a8x n LEU 248 Ca 0.07 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 3a8x n LEU 248 Cb 0.49 -0.60 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 3a8x n LEU 248 CO 0.51 0.70 0.62 -0.60 -1.33 0.00 0.00 177.39 177.29 3a8x s ARG 249 N -2.35 0.83 -0.05 3.23 6.06 -1.10 -4.97 118.95 120.59 3a8x s ARG 249 Ca -0.24 0.08 -0.25 0.00 -2.50 0.00 0.00 55.73 52.82 3a8x s ARG 249 Cb 0.07 0.39 -0.04 0.00 0.06 0.00 0.00 34.95 35.44 3a8x s ARG 249 CO 0.39 -0.28 0.75 0.08 -2.50 0.00 0.00 175.30 173.74 3a8x s VAL 250 N -1.59 5.01 0.00 7.11 1.01 -1.26 -0.67 120.40 130.01 3a8x s VAL 250 Ca -0.04 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.50 3a8x s VAL 250 Cb -0.00 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.28 3a8x s VAL 250 CO 0.02 0.23 0.09 2.30 0.00 0.00 0.00 175.10 177.75 3a8x n ILE 251 N 3.81 0.00 -3.58 2.22 -5.35 0.47 -2.53 119.36 114.40 3a8x n ILE 251 Ca 0.00 -0.40 -0.09 0.00 -0.27 0.00 0.00 62.75 61.98 3a8x n ILE 251 Cb 0.51 1.04 -0.05 0.00 -1.74 0.00 0.00 39.64 39.41 3a8x n ILE 251 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3a8x s GLY 252 N -0.62 -0.24 -0.03 3.28 0.00 -1.01 -4.67 107.32 104.03 3a8x s GLY 252 Ca 0.00 2.06 0.01 0.00 0.00 0.00 0.00 44.72 46.79 3a8x s GLY 252 CO 0.00 0.99 -0.03 0.50 0.00 0.00 0.00 173.10 174.55 3a8x s ARG 253 N -1.25 0.65 0.31 2.90 0.52 -1.26 0.03 118.95 120.85 3a8x s ARG 253 Ca 0.00 -0.07 0.04 0.00 -0.52 0.00 0.00 55.73 55.19 3a8x s ARG 253 Cb -0.01 -0.69 0.04 0.00 0.52 0.00 0.00 34.95 34.82 3a8x s ARG 253 CO -0.00 -0.07 0.37 0.41 0.02 0.00 0.00 175.30 176.03 3a8x n GLY 254 N 3.92 2.23 0.37 -3.53 0.00 -0.16 -4.98 105.19 103.04 3a8x n GLY 254 Ca -0.25 -2.20 0.10 0.00 0.00 0.00 0.00 46.02 43.68 3a8x n GLY 254 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3a8x h SER 255 N 0.14 0.72 0.00 1.61 0.02 -2.04 -3.26 113.55 110.74 3a8x h SER 255 Ca -0.16 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3a8x h SER 255 Cb 0.68 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3a8x h SER 255 CO 0.23 0.38 -0.89 -1.22 -1.14 0.00 0.00 176.83 174.20 3a8x n TYR 256 N -4.56 0.00 -4.13 3.45 0.53 -1.26 -5.06 117.16 106.13 3a8x n TYR 256 Ca 0.17 0.00 -0.10 0.00 -1.02 0.00 0.00 57.90 56.95 3a8x n TYR 256 Cb 0.41 -0.09 -0.10 0.00 -1.03 0.00 0.00 39.34 38.53 3a8x n TYR 256 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3a8x s ALA 257 N -2.11 0.78 -0.08 -0.72 0.00 -1.23 -4.62 121.76 113.77 3a8x s ALA 257 Ca -0.00 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.75 3a8x s ALA 257 Cb 0.05 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 3a8x s ALA 257 CO 0.27 -0.24 -0.08 0.21 0.00 0.00 0.00 175.76 175.92 3a8x s LYS 258 N -3.48 2.90 -0.13 0.00 2.20 -0.83 -0.98 119.74 119.41 3a8x s LYS 258 Ca 0.07 -0.58 0.00 0.00 -0.36 0.00 0.00 55.97 55.11 3a8x s LYS 258 Cb 0.03 -2.61 -0.01 0.00 -1.51 0.00 0.00 37.83 33.73 3a8x s LYS 258 CO -0.05 0.56 -0.15 0.08 -0.36 0.00 0.00 175.35 175.43 3a8x s VAL 259 N -0.53 2.88 0.10 4.02 1.01 0.10 -0.41 120.40 127.57 3a8x s VAL 259 Ca 0.08 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.43 3a8x s VAL 259 Cb -0.12 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3a8x s VAL 259 CO 0.02 0.53 -0.24 -0.76 0.00 0.00 0.00 175.10 174.65 3a8x s LEU 260 N 0.39 2.28 0.04 3.92 1.02 -0.06 -0.39 118.68 125.87 3a8x s LEU 260 Ca -0.12 -0.68 -0.30 0.00 0.02 0.00 0.00 54.13 53.05 3a8x s LEU 260 Cb -0.16 -1.08 -0.05 0.00 0.02 0.00 0.00 46.19 44.91 3a8x s LEU 260 CO 0.06 0.15 1.17 -0.22 0.02 0.00 0.00 176.35 177.52 3a8x s LEU 261 N -1.81 4.36 0.07 1.79 0.20 0.16 0.63 118.68 124.08 3a8x s LEU 261 Ca 0.10 1.94 0.01 0.00 0.69 0.00 0.00 54.13 56.87 3a8x s LEU 261 Cb -0.10 -3.57 -0.04 0.00 -0.43 0.00 0.00 46.19 42.05 3a8x s LEU 261 CO 0.04 -0.46 -0.06 0.68 -0.29 0.00 0.00 176.35 176.27 3a8x s VAL 262 N 1.22 0.53 -0.16 1.68 -7.23 0.18 -0.62 120.40 116.01 3a8x s VAL 262 Ca 0.57 -1.70 0.01 0.00 -1.81 0.00 0.00 61.98 59.05 3a8x s VAL 262 Cb -0.28 -1.38 0.01 0.00 0.56 0.00 0.00 36.38 35.29 3a8x s VAL 262 CO 0.28 -0.79 -0.18 -0.60 -0.31 0.00 0.00 175.10 173.49 3a8x s ARG 263 N -3.32 3.11 -0.38 4.82 3.52 0.12 -1.22 118.95 125.60 3a8x s ARG 263 Ca 0.05 -0.80 -0.29 0.00 -0.13 0.00 0.00 55.73 54.57 3a8x s ARG 263 Cb 0.02 -2.56 -0.00 0.00 -1.56 0.00 0.00 34.95 30.85 3a8x s ARG 263 CO -0.05 -0.04 1.58 -1.17 -0.81 0.00 0.00 175.30 174.82 3a8x s LEU 264 N 0.91 3.54 0.19 -0.88 2.96 -0.19 -0.46 118.68 124.75 3a8x s LEU 264 Ca -0.04 1.02 -0.13 0.00 -0.22 0.00 0.00 54.13 54.76 3a8x s LEU 264 Cb -0.15 -3.51 0.11 0.00 0.50 0.00 0.00 46.19 43.14 3a8x s LEU 264 CO -0.03 -1.56 1.84 0.11 -1.32 0.00 0.00 176.35 175.39 3a8x h LYS 265 N 11.67 0.76 0.00 1.98 1.57 -1.58 0.20 116.57 131.17 3a8x h LYS 265 Ca -0.30 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 3a8x h LYS 265 Cb 1.13 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 3a8x h LYS 265 CO 1.06 0.50 -0.07 1.57 -0.57 0.00 0.00 179.45 181.95 3a8x h LYS 266 N 0.78 0.00 0.00 3.15 -0.00 -1.91 -3.21 116.57 115.38 3a8x h LYS 266 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.88 3a8x h LYS 266 Cb -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.18 3a8x h LYS 266 CO -0.07 0.07 -0.81 0.25 -0.00 0.00 0.00 179.45 178.89 3a8x n THR 267 N -3.14 0.00 -1.16 0.07 -2.24 -1.08 -5.01 114.28 101.72 3a8x n THR 267 Ca 0.02 -0.25 -0.05 0.00 -2.27 0.00 0.00 64.05 61.50 3a8x n THR 267 Cb 0.44 0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 69.43 3a8x n THR 267 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3a8x n ASP 268 N -1.45 -4.69 -4.87 3.42 2.03 0.67 -5.00 116.55 106.68 3a8x n ASP 268 Ca 0.01 0.13 -0.33 0.00 0.52 0.00 0.00 54.79 55.12 3a8x n ASP 268 Cb 0.21 -2.67 -0.05 0.00 -0.72 0.00 0.00 41.12 37.89 3a8x n ASP 268 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3a8x s ARG 269 N -2.01 3.83 -0.00 -0.67 0.52 -1.23 -4.86 118.95 114.53 3a8x s ARG 269 Ca 0.00 0.28 -0.00 0.00 -0.52 0.00 0.00 55.73 55.49 3a8x s ARG 269 Cb 0.00 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.63 3a8x s ARG 269 CO 0.00 0.42 0.08 0.96 0.02 0.00 0.00 175.30 176.78 3a8x s ILE 270 N -1.63 4.70 0.10 1.52 -4.36 -1.26 -1.02 121.20 119.25 3a8x s ILE 270 Ca 0.42 -0.42 -0.01 0.00 -0.26 0.00 0.00 60.65 60.38 3a8x s ILE 270 Cb -0.13 -3.15 -0.04 0.00 1.25 0.00 0.00 42.46 40.39 3a8x s ILE 270 CO 0.20 0.35 0.02 -0.31 0.24 0.00 0.00 174.94 175.44 3a8x s TYR 271 N -1.19 0.74 0.37 1.37 1.51 -0.35 -4.56 117.35 115.24 3a8x s TYR 271 Ca 0.23 -1.16 -0.17 0.00 -1.01 0.00 0.00 57.07 54.96 3a8x s TYR 271 Cb -0.12 -0.45 -0.09 0.00 -0.11 0.00 0.00 41.96 41.19 3a8x s TYR 271 CO 0.14 -0.45 0.82 0.00 -1.11 0.00 0.00 175.55 174.95 3a8x s ALA 272 N -3.98 3.22 -0.21 3.71 0.00 -0.50 -0.64 121.76 123.36 3a8x s ALA 272 Ca 0.17 0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.24 3a8x s ALA 272 Cb 0.08 -2.90 0.06 0.00 0.00 0.00 0.00 23.12 20.36 3a8x s ALA 272 CO -0.03 0.21 0.04 1.41 0.00 0.00 0.00 175.76 177.40 3a8x s MET 273 N -3.17 0.66 -0.08 0.00 1.75 0.20 -0.74 119.30 117.93 3a8x s MET 273 Ca 0.57 -0.50 -0.27 0.00 -1.25 0.00 0.00 55.69 54.24 3a8x s MET 273 Cb -0.10 -2.08 -0.02 0.00 2.84 0.00 0.00 34.83 35.47 3a8x s MET 273 CO 0.18 -0.68 0.88 0.21 -0.65 0.00 0.00 175.02 174.95 3a8x s LYS 274 N 1.84 4.44 -0.17 4.11 2.20 0.20 -0.88 119.74 131.48 3a8x s LYS 274 Ca 0.00 1.18 0.01 0.00 -0.36 0.00 0.00 55.97 56.80 3a8x s LYS 274 Cb -0.17 -3.50 0.02 0.00 -1.51 0.00 0.00 37.83 32.67 3a8x s LYS 274 CO -0.10 -0.14 -0.18 0.08 -0.36 0.00 0.00 175.35 174.64 3a8x s VAL 275 N 1.44 1.90 -0.18 4.02 1.01 0.45 -0.59 120.40 128.44 3a8x s VAL 275 Ca 0.44 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3a8x s VAL 275 Cb -0.19 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.49 3a8x s VAL 275 CO 0.20 0.51 -0.17 -0.69 0.00 0.00 0.00 175.10 174.95 3a8x s VAL 276 N 1.36 1.95 0.30 2.92 1.01 0.19 -1.97 120.40 126.15 3a8x s VAL 276 Ca 0.05 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 3a8x s VAL 276 Cb -0.13 -1.82 -0.10 0.00 0.00 0.00 0.00 36.38 34.33 3a8x s VAL 276 CO -0.12 0.44 1.39 -0.54 0.00 0.00 0.00 175.10 176.27 3a8x s LYS 277 N 1.31 4.28 0.35 2.72 1.02 -1.26 -0.31 119.74 127.86 3a8x s LYS 277 Ca 0.03 2.30 0.10 0.00 0.02 0.00 0.00 55.97 58.42 3a8x s LYS 277 Cb -0.14 -3.08 0.66 0.00 -0.52 0.00 0.00 37.83 34.75 3a8x s LYS 277 CO -0.11 -0.34 1.82 0.87 -0.92 0.00 0.00 175.35 176.66 3a8x h LYS 278 N 4.16 0.16 0.00 1.68 1.57 -0.80 -1.85 116.57 121.49 3a8x h LYS 278 Ca -0.48 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3a8x h LYS 278 Cb 1.22 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3a8x h LYS 278 CO 0.71 0.45 0.12 1.05 -0.57 0.00 0.00 179.45 181.21 3a8x h GLU 279 N 0.15 0.00 0.00 3.15 4.11 -1.91 0.25 114.58 120.33 3a8x h GLU 279 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 3a8x h GLU 279 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3a8x h GLU 279 CO 0.04 0.00 -0.23 -0.11 0.07 0.00 0.00 179.01 178.79 3a8x n LEU 280 N -2.36 0.38 -4.46 3.06 7.94 -0.69 -5.20 117.00 115.67 3a8x n LEU 280 Ca -0.02 0.34 -0.29 0.00 -1.11 0.00 0.00 56.01 54.93 3a8x n LEU 280 Cb 0.15 -0.35 -0.12 0.00 0.53 0.00 0.00 43.42 43.63 3a8x n LEU 280 CO 0.10 -0.01 -0.51 -0.69 -1.11 0.00 0.00 177.39 175.17 3a8x s VAL 281 N -3.04 2.68 0.00 1.96 1.01 0.89 -5.06 120.40 118.83 3a8x s VAL 281 Ca 0.11 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 60.57 3a8x s VAL 281 Cb 0.17 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.34 3a8x s VAL 281 CO 0.62 0.13 0.00 -0.67 0.00 0.00 0.00 175.10 175.18 3a8x n ASP 286 N 0.94 0.00 -0.19 3.32 -0.08 -1.26 -5.01 116.55 114.27 3a8x n ASP 286 Ca -0.16 0.00 0.22 0.00 -1.51 0.00 0.00 54.79 53.34 3a8x n ASP 286 Cb 0.53 0.00 0.59 0.00 2.34 0.00 0.00 41.12 44.58 3a8x n ASP 286 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 3a8x h ILE 287 N 0.00 0.65 -0.04 5.18 1.08 -2.00 0.12 117.51 122.50 3a8x h ILE 287 Ca 0.00 -0.08 -0.15 0.00 -0.39 0.00 0.00 64.86 64.24 3a8x h ILE 287 Cb 0.00 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 3a8x h ILE 287 CO 0.00 0.04 -0.63 0.44 -0.69 0.00 0.00 178.15 177.31 3a8x h ASP 288 N 0.25 0.18 -0.58 1.72 3.45 -2.01 -2.89 116.42 116.54 3a8x h ASP 288 Ca 0.43 -0.11 -0.09 0.00 0.43 0.00 0.00 57.03 57.69 3a8x h ASP 288 Cb 1.30 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.99 3a8x h ASP 288 CO -0.11 0.77 0.04 -0.25 -1.57 0.00 0.00 179.24 178.12 3a8x h TRP 289 N 0.12 1.10 -0.33 4.55 7.01 -1.22 0.71 115.95 127.89 3a8x h TRP 289 Ca -0.01 -0.17 -0.00 0.00 2.11 0.00 0.00 58.89 60.82 3a8x h TRP 289 Cb 1.14 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.89 3a8x h TRP 289 CO 0.02 0.96 0.19 0.28 -2.79 0.00 0.00 178.44 177.09 3a8x h VAL 290 N 0.95 1.12 -1.00 2.65 2.07 -1.33 -0.10 116.25 120.61 3a8x h VAL 290 Ca 0.18 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.45 3a8x h VAL 290 Cb 0.50 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 3a8x h VAL 290 CO 0.02 0.12 0.65 1.56 0.02 0.00 0.00 177.57 179.95 3a8x h GLN 291 N 0.41 1.16 0.06 1.57 1.08 -1.21 -0.26 115.11 117.93 3a8x h GLN 291 Ca 0.12 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.26 3a8x h GLN 291 Cb 0.03 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.19 3a8x h GLN 291 CO -0.02 0.77 -0.11 1.15 -0.95 0.00 0.00 178.83 179.66 3a8x h THR 292 N 1.19 0.73 0.12 -0.54 2.02 0.10 0.28 112.91 116.82 3a8x h THR 292 Ca 0.43 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.61 3a8x h THR 292 Cb 0.13 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3a8x h THR 292 CO -0.16 0.00 -0.10 -0.33 0.37 0.00 0.00 175.52 175.29 3a8x h GLU 293 N -0.23 -0.23 -0.65 6.66 5.08 -0.61 -1.03 114.58 123.56 3a8x h GLU 293 Ca 0.02 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.52 3a8x h GLU 293 Cb 0.25 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.46 3a8x h GLU 293 CO -0.07 -0.15 0.17 0.87 -1.00 0.00 0.00 179.01 178.83 3a8x h LYS 294 N -0.24 0.29 -0.38 2.33 1.57 -0.86 0.93 116.57 120.21 3a8x h LYS 294 Ca 0.00 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3a8x h LYS 294 Cb 0.22 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3a8x h LYS 294 CO -0.02 0.19 0.11 0.45 -0.57 0.00 0.00 179.45 179.61 3a8x h HIS 295 N 0.30 0.62 -0.28 -1.35 3.86 0.04 -1.71 115.15 116.63 3a8x h HIS 295 Ca 0.35 -0.07 -0.10 0.00 -1.16 0.00 0.00 60.37 59.39 3a8x h HIS 295 Cb 0.54 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 3a8x h HIS 295 CO -0.23 0.60 -0.23 0.28 0.86 0.00 0.00 177.93 179.21 3a8x h VAL 296 N 0.47 1.30 -1.03 2.45 2.07 -0.82 -1.38 116.25 119.31 3a8x h VAL 296 Ca 0.12 -1.37 0.26 0.00 0.82 0.00 0.00 66.70 66.53 3a8x h VAL 296 Cb 0.28 1.57 -0.09 0.00 -1.52 0.00 0.00 31.29 31.52 3a8x h VAL 296 CO -0.00 0.44 0.66 -0.26 0.02 0.00 0.00 177.57 178.43 3a8x h PHE 297 N 0.39 0.64 0.00 1.57 0.05 -0.71 -1.46 116.94 117.41 3a8x h PHE 297 Ca 0.05 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.85 3a8x h PHE 297 Cb 0.78 -0.19 0.00 0.00 2.00 0.00 0.00 35.95 38.54 3a8x h PHE 297 CO 0.07 0.07 -0.06 1.49 -0.18 0.00 0.00 178.31 179.70 3a8x h GLU 298 N 0.39 0.03 -0.96 1.51 4.57 -0.48 -2.84 114.58 116.81 3a8x h GLU 298 Ca 0.58 -0.04 0.21 0.00 -1.18 0.00 0.00 59.36 58.92 3a8x h GLU 298 Cb 1.47 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 29.99 3a8x h GLU 298 CO -0.28 0.89 0.62 1.96 -1.18 0.00 0.00 179.01 181.02 3a8x h GLN 299 N -0.80 0.50 0.03 1.92 1.08 -0.91 -2.84 115.11 114.10 3a8x h GLN 299 Ca -0.01 -0.03 -0.22 0.00 -1.45 0.00 0.00 58.65 56.95 3a8x h GLN 299 Cb 0.91 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 3a8x h GLN 299 CO 0.01 0.33 -0.98 0.00 -0.95 0.00 0.00 178.83 177.25 3a8x h ALA 300 N 1.62 0.40 0.00 3.87 0.00 -1.19 -3.43 119.26 120.52 3a8x h ALA 300 Ca 0.52 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3a8x h ALA 300 Cb 1.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3a8x h ALA 300 CO -0.26 1.00 0.00 0.43 0.00 0.00 0.00 179.25 180.42 3a8x n SER 301 N -3.57 1.60 0.00 0.00 7.64 -1.07 0.69 113.62 118.91 3a8x n SER 301 Ca -0.04 -1.61 0.00 0.00 1.01 0.00 0.00 58.87 58.24 3a8x n SER 301 Cb 0.88 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 3a8x n SER 301 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3a8x n ASN 302 N 0.35 4.30 -4.49 6.43 5.15 -1.26 -4.69 115.26 121.05 3a8x n ASN 302 Ca 0.00 0.00 -0.51 0.00 -0.60 0.00 0.00 54.58 53.47 3a8x n ASN 302 Cb 0.30 0.39 -0.05 0.00 -0.53 0.00 0.00 39.78 39.90 3a8x n ASN 302 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3a8x n HIS 303 N -1.88 0.42 0.34 1.20 -0.00 0.22 -4.82 115.22 110.70 3a8x n HIS 303 Ca 0.00 0.90 0.15 0.00 0.46 0.00 0.00 57.72 59.22 3a8x n HIS 303 Cb 0.44 -2.10 0.53 0.00 -0.12 0.00 0.00 29.99 28.74 3a8x n HIS 303 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3a8x h PRO 304 N 2.26 0.00 -0.11 1.57 0.13 -1.88 -3.22 132.00 130.75 3a8x h PRO 304 Ca -0.39 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.71 3a8x h PRO 304 Cb 1.40 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.52 3a8x h PRO 304 CO 0.63 0.00 -0.10 1.19 -0.23 0.00 0.00 178.00 179.49 3a8x n PHE 305 N -2.76 0.38 -4.23 1.56 3.72 -1.26 -4.84 117.46 110.03 3a8x n PHE 305 Ca 0.02 -1.14 -0.17 0.00 -0.05 0.00 0.00 57.45 56.12 3a8x n PHE 305 Cb 0.32 -0.25 -0.13 0.00 -0.94 0.00 0.00 39.48 38.48 3a8x n PHE 305 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3a8x s LEU 306 N -2.98 2.11 -0.05 4.37 1.43 -1.22 -1.10 118.68 121.25 3a8x s LEU 306 Ca 0.37 -0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 3a8x s LEU 306 Cb 0.33 -0.36 -0.04 0.00 0.03 0.00 0.00 46.19 46.14 3a8x s LEU 306 CO 0.02 -0.00 1.34 -0.69 0.23 0.00 0.00 176.35 177.25 3a8x s VAL 307 N -0.64 3.96 0.37 -1.59 1.01 -1.03 -4.80 120.40 117.68 3a8x s VAL 307 Ca -0.01 1.28 -0.01 0.00 0.00 0.00 0.00 61.98 63.25 3a8x s VAL 307 Cb -0.06 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 3a8x s VAL 307 CO 0.00 -0.03 0.60 -0.83 0.00 0.00 0.00 175.10 174.84 3a8x s GLY 308 N 1.90 1.38 -0.26 4.51 0.00 -1.26 -4.83 107.32 108.76 3a8x s GLY 308 Ca 0.61 -0.81 -0.11 0.00 0.00 0.00 0.00 44.72 44.40 3a8x s GLY 308 CO 0.23 -0.73 0.18 -2.27 0.00 0.00 0.00 173.10 170.52 3a8x s LEU 309 N -4.39 4.07 -0.16 0.66 0.20 -1.26 -2.37 118.68 115.43 3a8x s LEU 309 Ca 0.42 0.06 -0.23 0.00 0.69 0.00 0.00 54.13 55.07 3a8x s LEU 309 Cb -0.10 -2.13 -0.20 0.00 -0.43 0.00 0.00 46.19 43.34 3a8x s LEU 309 CO 0.38 -0.00 0.48 -0.74 -0.29 0.00 0.00 176.35 176.17 3a8x h HIS 310 N 7.96 0.00 -2.80 5.38 -0.00 -0.09 -3.42 115.15 122.18 3a8x h HIS 310 Ca -0.36 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.03 3a8x h HIS 310 Cb 1.18 0.00 -0.12 0.00 -0.00 0.00 0.00 27.41 28.47 3a8x h HIS 310 CO 0.72 0.97 0.29 -1.54 -0.00 0.00 0.00 177.93 178.37 3a8x s SER 311 N -6.30 -0.48 0.06 3.26 1.04 -0.97 -1.23 113.70 109.07 3a8x s SER 311 Ca -0.19 -0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.23 3a8x s SER 311 Cb 0.00 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 3a8x s SER 311 CO 0.56 -0.91 -0.16 0.00 0.98 0.00 0.00 173.24 173.71 3a8x s PHE 313 N -1.04 0.13 0.03 0.00 -0.12 -1.02 -2.13 117.98 113.84 3a8x s PHE 313 Ca 0.02 -0.72 -0.06 0.00 -0.05 0.00 0.00 56.93 56.11 3a8x s PHE 313 Cb -0.09 0.80 -0.01 0.00 -0.63 0.00 0.00 43.02 43.09 3a8x s PHE 313 CO 0.02 -1.35 0.11 1.14 -0.05 0.00 0.00 175.22 175.08 3a8x s GLN 314 N -2.09 0.57 0.42 1.99 -2.07 -1.26 -0.86 119.66 116.36 3a8x s GLN 314 Ca 0.19 -0.69 0.01 0.00 -1.82 0.00 0.00 55.36 53.05 3a8x s GLN 314 Cb -0.04 0.23 0.01 0.00 -1.09 0.00 0.00 33.01 32.11 3a8x s GLN 314 CO 0.10 -0.14 0.08 0.25 -1.32 0.00 0.00 175.29 174.26 3a8x n THR 315 N 0.89 0.00 -0.05 3.63 -2.24 -0.43 -4.78 114.28 111.29 3a8x n THR 315 Ca -0.20 -1.92 0.09 0.00 -2.27 0.00 0.00 64.05 59.76 3a8x n THR 315 Cb 0.58 0.26 0.48 0.00 -2.10 0.00 0.00 70.33 69.55 3a8x n THR 315 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3a8x h GLU 316 N 0.00 0.43 0.00 -0.78 4.81 -2.01 -3.08 114.58 113.96 3a8x h GLU 316 Ca -0.33 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3a8x h GLU 316 Cb 1.04 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.32 3a8x h GLU 316 CO 0.54 0.29 -0.85 -1.13 -0.73 0.00 0.00 179.01 177.13 3a8x n SER 317 N -4.47 0.98 -4.08 1.04 3.41 -1.26 -4.94 113.62 104.29 3a8x n SER 317 Ca 0.07 -0.58 -0.14 0.00 -0.26 0.00 0.00 58.87 57.97 3a8x n SER 317 Cb 0.27 1.16 -0.11 0.00 -0.26 0.00 0.00 64.21 65.26 3a8x n SER 317 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3a8x s ARG 318 N -2.36 0.58 -0.04 4.33 0.52 -1.16 -0.05 118.95 120.77 3a8x s ARG 318 Ca 0.02 -0.82 -0.01 0.00 -0.52 0.00 0.00 55.73 54.41 3a8x s ARG 318 Cb 0.09 -0.36 -0.04 0.00 0.52 0.00 0.00 34.95 35.17 3a8x s ARG 318 CO 0.51 0.06 0.04 -0.51 0.02 0.00 0.00 175.30 175.43 3a8x s LEU 319 N -1.68 3.72 -0.07 2.53 1.43 0.58 -1.32 118.68 123.86 3a8x s LEU 319 Ca -0.08 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 3a8x s LEU 319 Cb -0.09 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.10 3a8x s LEU 319 CO 0.00 0.32 -0.18 -0.36 0.23 0.00 0.00 176.35 176.36 3a8x s PHE 320 N -1.05 1.94 -0.30 0.29 0.08 -0.04 -0.64 117.98 118.26 3a8x s PHE 320 Ca 0.18 -0.72 -0.02 0.00 0.12 0.00 0.00 56.93 56.49 3a8x s PHE 320 Cb -0.12 -1.34 0.05 0.00 -0.57 0.00 0.00 43.02 41.04 3a8x s PHE 320 CO 0.08 -0.31 0.00 -0.06 -0.10 0.00 0.00 175.22 174.84 3a8x s PHE 321 N 0.41 3.25 -0.24 0.36 0.40 0.24 -2.43 117.98 119.96 3a8x s PHE 321 Ca -0.14 -1.81 -0.23 0.00 -0.60 0.00 0.00 56.93 54.15 3a8x s PHE 321 Cb -0.16 -2.12 -0.01 0.00 0.51 0.00 0.00 43.02 41.24 3a8x s PHE 321 CO 0.05 -0.79 0.75 0.08 0.70 0.00 0.00 175.22 176.01 3a8x s VAL 322 N 1.27 4.90 0.22 -0.44 1.01 0.59 -0.63 120.40 127.32 3a8x s VAL 322 Ca -0.05 1.39 0.01 0.00 0.00 0.00 0.00 61.98 63.34 3a8x s VAL 322 Cb -0.20 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 3a8x s VAL 322 CO -0.01 -0.03 0.05 0.27 0.00 0.00 0.00 175.10 175.39 3a8x s ILE 323 N 2.66 0.59 0.31 2.22 -4.36 0.08 0.67 121.20 123.36 3a8x s ILE 323 Ca 0.32 -1.99 -0.29 0.00 -0.26 0.00 0.00 60.65 58.42 3a8x s ILE 323 Cb -0.15 -2.39 -0.12 0.00 1.25 0.00 0.00 42.46 41.04 3a8x s ILE 323 CO 0.08 -0.22 1.43 -0.62 0.24 0.00 0.00 174.94 175.85 3a8x n GLU 324 N -0.35 2.33 -2.68 0.37 1.02 -1.00 -1.41 120.64 118.91 3a8x n GLU 324 Ca -0.03 0.82 -0.43 0.00 -0.02 0.00 0.00 57.16 57.50 3a8x n GLU 324 Cb 0.65 -2.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.54 3a8x n GLU 324 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3a8x s TYR 325 N -0.55 2.91 -0.28 -0.32 5.04 -1.26 -4.21 117.35 118.68 3a8x s TYR 325 Ca 0.61 0.70 -0.01 0.00 -2.44 0.00 0.00 57.07 55.92 3a8x s TYR 325 Cb -0.56 -4.16 0.04 0.00 0.35 0.00 0.00 41.96 37.64 3a8x s TYR 325 CO 0.56 -1.13 -0.03 0.08 -1.34 0.00 0.00 175.55 173.69 3a8x s VAL 326 N 4.09 2.88 -0.10 3.14 1.01 -1.26 -4.92 120.40 125.24 3a8x s VAL 326 Ca 0.44 -1.32 0.14 0.00 0.00 0.00 0.00 61.98 61.24 3a8x s VAL 326 Cb -0.09 -2.61 0.26 0.00 0.00 0.00 0.00 36.38 33.94 3a8x s VAL 326 CO 0.27 -0.02 1.13 -0.46 0.00 0.00 0.00 175.10 176.02 3a8x n ASN 327 N 4.62 1.54 -0.67 3.32 6.94 -1.25 -4.61 115.26 125.14 3a8x n ASN 327 Ca -0.14 -2.88 0.13 0.00 -0.02 0.00 0.00 54.58 51.66 3a8x n ASN 327 Cb 0.44 -0.38 0.37 0.00 -2.36 0.00 0.00 39.78 37.84 3a8x n ASN 327 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3a8x n GLY 328 N -0.85 0.46 1.28 4.83 0.00 0.13 -4.62 105.19 106.43 3a8x n GLY 328 Ca 0.12 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3a8x n GLY 328 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a8x n GLY 329 N 1.24 -1.61 3.13 -0.02 0.00 -1.16 -4.59 105.19 102.18 3a8x n GLY 329 Ca 0.17 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.25 3a8x n GLY 329 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3a8x s ASP 330 N -4.00 0.45 0.43 1.61 -4.77 -1.26 0.12 116.67 109.24 3a8x s ASP 330 Ca 0.00 -1.13 0.19 0.00 -3.30 0.00 0.00 52.55 48.31 3a8x s ASP 330 Cb 0.00 0.25 0.97 0.00 -1.09 0.00 0.00 42.92 43.05 3a8x s ASP 330 CO 0.00 -0.67 1.90 -0.07 0.70 0.00 0.00 175.17 177.04 3a8x h LEU 331 N 2.96 0.00 0.07 2.11 3.38 -0.79 -1.03 115.31 122.00 3a8x h LEU 331 Ca -0.35 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 3a8x h LEU 331 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3a8x h LEU 331 CO 0.62 0.27 -0.03 -0.03 0.09 0.00 0.00 178.44 179.36 3a8x h MET 332 N 0.00 -0.09 -0.53 1.13 4.05 -1.74 0.47 114.93 118.21 3a8x h MET 332 Ca -0.00 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3a8x h MET 332 Cb 0.57 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.37 3a8x h MET 332 CO 0.04 0.05 0.29 0.35 0.23 0.00 0.00 176.91 177.87 3a8x h PHE 333 N -0.21 0.73 -0.73 1.39 3.57 -1.81 -1.78 116.94 118.11 3a8x h PHE 333 Ca -0.01 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.53 3a8x h PHE 333 Cb 0.18 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 3a8x h PHE 333 CO -0.03 0.54 0.43 1.25 -2.23 0.00 0.00 178.31 178.26 3a8x h HIS 334 N 0.72 0.79 -0.42 0.41 2.76 -1.15 -2.71 115.15 115.55 3a8x h HIS 334 Ca 0.19 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.30 3a8x h HIS 334 Cb 0.05 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.74 3a8x h HIS 334 CO -0.02 0.40 -0.08 0.52 -1.30 0.00 0.00 177.93 177.46 3a8x h MET 335 N 0.80 0.72 -0.62 5.26 2.86 -0.48 -0.11 114.93 123.37 3a8x h MET 335 Ca 0.32 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 3a8x h MET 335 Cb 0.15 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 3a8x h MET 335 CO -0.17 0.79 0.27 1.96 1.06 0.00 0.00 176.91 180.82 3a8x h GLN 336 N 0.66 0.88 0.01 1.72 4.20 -1.03 0.26 115.11 121.81 3a8x h GLN 336 Ca 0.12 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3a8x h GLN 336 Cb 0.52 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3a8x h GLN 336 CO 0.03 0.70 -0.00 -0.09 -0.67 0.00 0.00 178.83 178.80 3a8x h ARG 337 N 0.88 -0.01 0.00 1.46 9.65 -1.24 -3.35 114.38 121.76 3a8x h ARG 337 Ca 0.21 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 59.05 3a8x h ARG 337 Cb 0.13 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 3a8x h ARG 337 CO -0.02 0.84 -0.22 1.96 2.80 0.00 0.00 179.97 185.33 3a8x h GLN 338 N -0.89 0.00 0.00 0.20 1.08 -0.90 -3.47 115.11 111.12 3a8x h GLN 338 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3a8x h GLN 338 Cb 0.85 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 3a8x h GLN 338 CO 0.00 0.22 0.00 0.54 -0.95 0.00 0.00 178.83 178.64 3a8x n ARG 339 N -3.21 0.00 -3.60 1.46 5.12 0.89 -4.70 116.66 112.62 3a8x n ARG 339 Ca 0.02 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.79 3a8x n ARG 339 Cb 0.55 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.78 3a8x n ARG 339 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3a8x s LYS 340 N 0.00 0.90 -0.01 5.56 2.20 -1.26 -4.24 119.74 122.89 3a8x s LYS 340 Ca 0.00 0.78 -0.06 0.00 -0.36 0.00 0.00 55.97 56.33 3a8x s LYS 340 Cb 0.00 0.43 -0.05 0.00 -1.51 0.00 0.00 37.83 36.71 3a8x s LYS 340 CO 0.00 -0.16 0.24 -0.51 -0.36 0.00 0.00 175.35 174.56 3a8x s LEU 341 N -0.07 4.37 0.48 5.43 1.43 0.01 -5.04 118.68 125.30 3a8x s LEU 341 Ca -0.03 0.52 -0.24 0.00 -1.03 0.00 0.00 54.13 53.35 3a8x s LEU 341 Cb -0.04 -2.59 -0.08 0.00 0.03 0.00 0.00 46.19 43.52 3a8x s LEU 341 CO 0.03 0.27 1.25 -2.65 0.23 0.00 0.00 176.35 175.49 3a8x n PRO 342 N 1.20 1.73 -0.31 1.29 -0.02 -1.26 -4.58 135.00 133.06 3a8x n PRO 342 Ca -0.12 0.63 0.10 0.00 -2.02 0.00 0.00 63.50 62.08 3a8x n PRO 342 Cb 0.53 -2.40 0.27 0.00 -0.02 0.00 0.00 33.50 31.87 3a8x n PRO 342 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3a8x h GLU 343 N 1.70 0.57 -0.84 -0.52 4.81 -1.95 -0.03 114.58 118.33 3a8x h GLU 343 Ca -0.49 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 58.76 3a8x h GLU 343 Cb 1.31 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.50 3a8x h GLU 343 CO 0.58 0.38 0.52 0.93 -0.73 0.00 0.00 179.01 180.69 3a8x h GLU 344 N 0.59 0.94 -0.30 1.92 3.07 -1.99 0.32 114.58 119.13 3a8x h GLU 344 Ca 0.51 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 59.27 3a8x h GLU 344 Cb 0.82 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 3a8x h GLU 344 CO -0.41 0.62 0.00 0.45 -1.40 0.00 0.00 179.01 178.27 3a8x h HIS 345 N 0.97 0.57 -0.08 4.33 3.86 -1.41 -2.23 115.15 121.17 3a8x h HIS 345 Ca 0.36 -0.10 -0.06 0.00 -1.16 0.00 0.00 60.37 59.41 3a8x h HIS 345 Cb 0.13 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 3a8x h HIS 345 CO -0.03 0.66 -0.22 0.00 0.86 0.00 0.00 177.93 179.20 3a8x h ALA 346 N 0.84 1.50 -0.21 2.45 0.00 -0.78 -2.35 119.26 120.72 3a8x h ALA 346 Ca 0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3a8x h ALA 346 Cb 0.43 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3a8x h ALA 346 CO 0.01 0.36 0.04 -0.09 0.00 0.00 0.00 179.25 179.58 3a8x h ARG 347 N 0.12 0.34 0.51 0.00 2.43 -0.20 -2.28 114.38 115.29 3a8x h ARG 347 Ca 0.02 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3a8x h ARG 347 Cb 0.46 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 3a8x h ARG 347 CO 0.03 0.48 -0.44 0.35 -1.51 0.00 0.00 179.97 178.89 3a8x h PHE 348 N 0.14 -1.19 -0.76 2.20 3.57 -0.98 -1.33 116.94 118.59 3a8x h PHE 348 Ca 0.06 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.60 3a8x h PHE 348 Cb 0.30 0.45 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 3a8x h PHE 348 CO 0.02 -0.61 0.48 1.88 -2.23 0.00 0.00 178.31 177.84 3a8x h TYR 349 N -0.93 0.89 0.00 0.41 0.05 -1.51 -2.14 116.97 113.74 3a8x h TYR 349 Ca -0.06 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.69 3a8x h TYR 349 Cb 0.80 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 3a8x h TYR 349 CO -0.20 0.50 -0.26 0.66 -1.05 0.00 0.00 178.16 177.81 3a8x h SER 350 N 0.92 0.00 0.04 3.88 4.64 -1.24 -0.72 113.55 121.06 3a8x h SER 350 Ca 0.31 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3a8x h SER 350 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3a8x h SER 350 CO -0.12 0.26 -0.02 0.00 -0.87 0.00 0.00 176.83 176.08 3a8x h ALA 351 N 1.74 -0.05 -0.85 5.18 0.00 -0.67 -0.60 119.26 124.02 3a8x h ALA 351 Ca -0.00 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.70 3a8x h ALA 351 Cb 0.71 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3a8x h ALA 351 CO 0.03 -0.27 0.54 0.93 0.00 0.00 0.00 179.25 180.48 3a8x h GLU 352 N -0.55 1.01 -0.33 0.00 5.08 -1.17 -2.33 114.58 116.29 3a8x h GLU 352 Ca -0.00 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3a8x h GLU 352 Cb 0.51 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3a8x h GLU 352 CO 0.01 0.67 0.02 0.82 -1.00 0.00 0.00 179.01 179.53 3a8x h ILE 353 N 1.05 1.25 -0.35 3.13 2.04 -1.15 -2.66 117.51 120.82 3a8x h ILE 353 Ca 0.34 -0.92 0.07 0.00 1.00 0.00 0.00 64.86 65.36 3a8x h ILE 353 Cb 0.03 1.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 3a8x h ILE 353 CO -0.12 0.30 -0.10 0.28 0.00 0.00 0.00 178.15 178.51 3a8x h SER 354 N 0.39 -0.36 -0.59 1.72 0.02 -0.99 0.29 113.55 114.03 3a8x h SER 354 Ca 0.10 0.11 0.09 0.00 -0.84 0.00 0.00 61.79 61.25 3a8x h SER 354 Cb 0.42 0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 3a8x h SER 354 CO 0.01 -0.13 0.40 -0.07 -1.14 0.00 0.00 176.83 175.90 3a8x h LEU 355 N -0.02 0.40 0.05 5.07 3.38 -1.29 -0.38 115.31 122.52 3a8x h LEU 355 Ca 0.17 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 3a8x h LEU 355 Cb 0.28 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.96 3a8x h LEU 355 CO -0.37 0.25 -0.45 0.00 0.09 0.00 0.00 178.44 177.96 3a8x h ALA 356 N 1.69 -0.01 -0.06 1.53 0.00 -0.94 -2.36 119.26 119.11 3a8x h ALA 356 Ca 0.27 -0.57 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3a8x h ALA 356 Cb 0.48 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3a8x h ALA 356 CO -0.08 0.21 -0.17 -0.07 0.00 0.00 0.00 179.25 179.14 3a8x h LEU 357 N -0.51 -0.52 -1.43 0.00 3.38 -0.77 -1.76 115.31 113.71 3a8x h LEU 357 Ca -0.07 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3a8x h LEU 357 Cb 1.28 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 3a8x h LEU 357 CO 0.09 -0.23 0.04 -1.13 0.09 0.00 0.00 178.44 177.30 3a8x h ASN 358 N -0.25 0.38 0.21 -0.43 -1.24 -1.14 0.25 115.58 113.36 3a8x h ASN 358 Ca 0.07 -0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 3a8x h ASN 358 Cb 0.35 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.31 3a8x h ASN 358 CO -0.21 0.42 -0.10 0.22 -1.29 0.00 0.00 177.43 176.47 3a8x h TYR 359 N 0.41 -0.26 -0.82 0.67 3.20 -1.20 -0.73 116.97 118.24 3a8x h TYR 359 Ca 0.10 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.06 3a8x h TYR 359 Cb 0.21 0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.49 3a8x h TYR 359 CO 0.01 -0.07 0.46 -0.07 -1.64 0.00 0.00 178.16 176.85 3a8x h LEU 360 N -0.39 0.64 0.11 2.82 -0.00 -0.78 -3.15 115.31 114.57 3a8x h LEU 360 Ca -0.03 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.90 3a8x h LEU 360 Cb 0.30 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 3a8x h LEU 360 CO 0.05 0.36 -0.05 0.45 -0.00 0.00 0.00 178.44 179.24 3a8x h HIS 361 N 0.76 -0.14 0.00 1.13 3.86 -0.09 -1.49 115.15 119.18 3a8x h HIS 361 Ca 0.40 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 3a8x h HIS 361 Cb 0.40 0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.92 3a8x h HIS 361 CO -0.07 -0.00 0.00 -0.85 0.86 0.00 0.00 177.93 177.87 3a8x n GLU 362 N -5.11 0.91 -0.60 2.45 0.28 -0.32 -1.34 120.64 116.91 3a8x n GLU 362 Ca -0.08 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 56.93 3a8x n GLU 362 Cb 0.12 -1.16 0.02 0.00 1.43 0.00 0.00 31.44 31.85 3a8x n GLU 362 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3a8x n ARG 363 N 0.41 0.14 -1.36 3.44 1.74 -0.70 -5.01 116.66 115.31 3a8x n ARG 363 Ca 0.00 -1.31 -0.02 0.00 -0.77 0.00 0.00 57.85 55.75 3a8x n ARG 363 Cb 0.39 -0.54 -0.01 0.00 -1.02 0.00 0.00 32.46 31.29 3a8x n ARG 363 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a8x n GLY 364 N -0.08 0.47 3.05 -0.13 0.00 -0.45 -4.27 105.19 103.79 3a8x n GLY 364 Ca 0.03 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 3a8x n GLY 364 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a8x s ILE 365 N -2.09 1.79 -0.21 -0.61 1.01 -0.64 0.11 121.20 120.55 3a8x s ILE 365 Ca 0.00 -0.85 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 3a8x s ILE 365 Cb 0.00 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 3a8x s ILE 365 CO 0.00 0.42 0.58 -0.63 0.00 0.00 0.00 174.94 175.31 3a8x s ILE 366 N 1.38 5.05 -0.04 2.92 1.01 0.42 -3.28 121.20 128.65 3a8x s ILE 366 Ca 0.03 1.07 -0.23 0.00 0.00 0.00 0.00 60.65 61.52 3a8x s ILE 366 Cb -0.14 -3.90 -0.17 0.00 0.01 0.00 0.00 42.46 38.26 3a8x s ILE 366 CO -0.11 0.11 0.99 0.22 0.00 0.00 0.00 174.94 176.16 3a8x h TYR 367 N 7.60 -0.17 0.00 3.97 3.20 -1.90 0.22 116.97 129.90 3a8x h TYR 367 Ca -0.31 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.56 3a8x h TYR 367 Cb 1.14 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.47 3a8x h TYR 367 CO 0.72 0.29 0.00 0.54 -1.64 0.00 0.00 178.16 178.07 3a8x n ARG 368 N -4.92 0.00 -2.70 1.82 1.74 -1.26 -3.35 116.66 107.99 3a8x n ARG 368 Ca -0.08 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.95 3a8x n ARG 368 Cb 0.27 -2.85 0.04 0.00 -1.02 0.00 0.00 32.46 28.90 3a8x n ARG 368 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3a8x n ASP 369 N 0.00 2.09 -4.66 0.55 2.03 -1.26 -4.46 116.55 110.84 3a8x n ASP 369 Ca 0.00 -2.39 -0.43 0.00 0.52 0.00 0.00 54.79 52.50 3a8x n ASP 369 Cb 0.00 -0.47 -0.02 0.00 -0.72 0.00 0.00 41.12 39.91 3a8x n ASP 369 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3a8x s LEU 370 N -3.69 4.21 0.17 -2.67 2.96 -1.26 -4.79 118.68 113.61 3a8x s LEU 370 Ca 0.31 1.78 -0.20 0.00 -0.22 0.00 0.00 54.13 55.80 3a8x s LEU 370 Cb 0.35 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.55 3a8x s LEU 370 CO -0.02 -0.77 0.54 -1.59 -1.32 0.00 0.00 176.35 173.19 3a8x s LYS 371 N 3.48 1.29 0.36 1.98 -2.85 -1.26 -4.90 119.74 117.84 3a8x s LYS 371 Ca 0.57 -0.66 0.13 0.00 -1.00 0.00 0.00 55.97 55.00 3a8x s LYS 371 Cb -0.23 0.55 0.94 0.00 -2.06 0.00 0.00 37.83 37.02 3a8x s LYS 371 CO 0.17 -0.55 1.79 -0.07 0.10 0.00 0.00 175.35 176.79 3a8x h LEU 372 N 2.14 0.59 -1.23 2.77 3.38 -1.94 0.15 115.31 121.16 3a8x h LEU 372 Ca -0.32 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3a8x h LEU 372 Cb 1.28 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 3a8x h LEU 372 CO 0.39 0.18 -0.04 0.44 0.09 0.00 0.00 178.44 179.49 3a8x h ASP 373 N 0.56 0.00 -0.04 -0.43 5.19 -1.95 -2.60 116.42 117.15 3a8x h ASP 373 Ca 0.56 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.97 3a8x h ASP 373 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 3a8x h ASP 373 CO -0.32 0.04 0.00 0.59 -3.12 0.00 0.00 179.24 176.44 3a8x n ASN 374 N -3.15 2.42 -4.35 6.45 3.02 0.50 -4.72 115.26 115.43 3a8x n ASN 374 Ca 0.01 -1.80 -0.43 0.00 -0.03 0.00 0.00 54.58 52.32 3a8x n ASN 374 Cb 0.36 -0.01 -0.08 0.00 -0.61 0.00 0.00 39.78 39.43 3a8x n ASN 374 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3a8x s VAL 375 N -1.98 4.95 0.45 2.41 1.01 -1.12 -2.09 120.40 124.03 3a8x s VAL 375 Ca 0.32 -1.17 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 3a8x s VAL 375 Cb 0.20 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 3a8x s VAL 375 CO 0.31 -0.57 0.84 -0.76 0.00 0.00 0.00 175.10 174.92 3a8x s LEU 376 N 1.58 3.72 -0.15 3.92 1.43 -0.16 -0.76 118.68 128.26 3a8x s LEU 376 Ca 0.04 1.22 -0.06 0.00 -1.03 0.00 0.00 54.13 54.30 3a8x s LEU 376 Cb -0.24 -4.14 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 3a8x s LEU 376 CO 0.05 -0.49 0.04 -0.76 0.23 0.00 0.00 176.35 175.42 3a8x s LEU 377 N -4.09 3.74 0.86 1.79 1.43 0.12 -1.00 118.68 121.52 3a8x s LEU 377 Ca 0.53 0.10 -0.13 0.00 -1.03 0.00 0.00 54.13 53.60 3a8x s LEU 377 Cb -0.10 -1.92 0.13 0.00 0.03 0.00 0.00 46.19 44.33 3a8x s LEU 377 CO 0.34 0.24 1.22 1.51 0.23 0.00 0.00 176.35 179.89 3a8x s ASP 378 N -0.02 3.96 0.66 2.29 3.84 0.61 0.22 116.67 128.22 3a8x s ASP 378 Ca 0.05 0.49 0.42 0.00 -0.00 0.00 0.00 52.55 53.51 3a8x s ASP 378 Cb -0.12 -0.81 2.30 0.00 -1.38 0.00 0.00 42.92 42.91 3a8x s ASP 378 CO 0.01 -2.22 2.31 0.77 -0.00 0.00 0.00 175.17 176.05 3a8x h SER 379 N -1.23 0.00 0.57 2.11 4.64 -1.88 -1.60 113.55 116.16 3a8x h SER 379 Ca -0.45 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.84 3a8x h SER 379 Cb 1.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 3a8x h SER 379 CO 0.53 0.00 -1.46 -0.62 -0.87 0.00 0.00 176.83 174.41 3a8x n GLU 380 N -3.11 0.63 0.00 4.77 -0.58 -1.26 -4.23 120.64 116.85 3a8x n GLU 380 Ca -0.03 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 3a8x n GLU 380 Cb 0.11 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.28 3a8x n GLU 380 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a8x n GLY 381 N 1.25 0.92 3.84 0.62 0.00 -0.60 -4.61 105.19 106.61 3a8x n GLY 381 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3a8x n GLY 381 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3a8x s HIS 382 N -2.00 3.37 0.55 1.61 3.76 -1.26 -4.80 115.29 116.52 3a8x s HIS 382 Ca 0.00 1.34 -0.07 0.00 -0.15 0.00 0.00 55.06 56.17 3a8x s HIS 382 Cb 0.00 -2.64 -0.03 0.00 1.11 0.00 0.00 32.58 31.03 3a8x s HIS 382 CO 0.00 -0.02 0.89 0.96 -0.85 0.00 0.00 174.74 175.72 3a8x s ILE 383 N -2.13 4.52 -0.15 0.60 -5.25 -1.26 -0.29 121.20 117.24 3a8x s ILE 383 Ca 0.57 0.35 -0.06 0.00 -0.99 0.00 0.00 60.65 60.52 3a8x s ILE 383 Cb -0.10 -3.76 0.07 0.00 2.95 0.00 0.00 42.46 41.62 3a8x s ILE 383 CO 0.19 -0.84 0.31 -0.54 -1.79 0.00 0.00 174.94 172.27 3a8x s LYS 384 N -4.94 0.21 0.28 0.37 1.02 -0.17 -4.42 119.74 112.08 3a8x s LYS 384 Ca 0.51 0.81 -0.29 0.00 0.02 0.00 0.00 55.97 57.02 3a8x s LYS 384 Cb -0.11 0.05 -0.10 0.00 -0.52 0.00 0.00 37.83 37.16 3a8x s LYS 384 CO 0.48 -0.26 1.12 -0.51 -0.92 0.00 0.00 175.35 175.26 3a8x s LEU 385 N 2.31 4.54 0.29 3.17 1.43 -0.26 -0.99 118.68 129.18 3a8x s LEU 385 Ca -0.01 2.31 0.02 0.00 -1.03 0.00 0.00 54.13 55.43 3a8x s LEU 385 Cb -0.12 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 3a8x s LEU 385 CO -0.10 -0.19 0.13 0.28 0.23 0.00 0.00 176.35 176.71 3a8x s THR 386 N -1.14 0.44 -0.33 5.49 -1.32 -0.89 -2.48 115.64 115.42 3a8x s THR 386 Ca 0.45 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 58.88 3a8x s THR 386 Cb -0.33 -2.56 0.01 0.00 -1.51 0.00 0.00 72.50 68.11 3a8x s THR 386 CO 0.42 0.00 0.19 -0.67 -2.21 0.00 0.00 174.62 172.35 3a8x n ASP 387 N -0.77 -7.65 -1.39 8.08 -0.08 -1.26 -4.89 116.55 108.59 3a8x n ASP 387 Ca 0.00 1.07 -0.04 0.00 -1.51 0.00 0.00 54.79 54.31 3a8x n ASP 387 Cb 0.65 -5.10 0.14 0.00 2.34 0.00 0.00 41.12 39.15 3a8x n ASP 387 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 3a8x n TYR 388 N 0.34 1.25 0.13 -0.67 0.53 -1.26 -4.47 117.16 113.00 3a8x n TYR 388 Ca 0.04 -0.76 0.01 0.00 -1.02 0.00 0.00 57.90 56.16 3a8x n TYR 388 Cb 0.14 -0.45 0.08 0.00 -1.03 0.00 0.00 39.34 38.08 3a8x n TYR 388 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 3a8x h GLY 389 N 3.52 0.00 -0.36 2.72 0.00 -1.90 -2.91 103.07 104.14 3a8x h GLY 389 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3a8x h GLY 389 CO 0.39 0.00 -0.16 -0.13 0.00 0.00 0.00 176.54 176.64 3a8x n MET 390 N -3.37 1.34 -1.63 4.80 1.56 -1.26 -5.00 117.12 113.55 3a8x n MET 390 Ca 0.01 -0.86 -0.36 0.00 -0.27 0.00 0.00 57.70 56.21 3a8x n MET 390 Cb 0.72 -1.48 0.08 0.00 2.15 0.00 0.00 33.22 34.69 3a8x n MET 390 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3a8x s LYS 392 N -3.50 3.29 0.35 0.00 2.47 0.79 -4.95 119.74 118.18 3a8x s LYS 392 Ca 0.81 -0.62 0.08 0.00 -1.56 0.00 0.00 55.97 54.69 3a8x s LYS 392 Cb -0.36 -2.69 -0.04 0.00 -1.46 0.00 0.00 37.83 33.28 3a8x s LYS 392 CO 0.42 0.33 0.13 -2.00 0.16 0.00 0.00 175.35 174.39 3a8x s GLU 393 N 0.07 2.32 -1.18 4.03 2.12 -1.25 -0.44 118.70 124.37 3a8x s GLU 393 Ca -0.03 -1.60 -0.21 0.00 0.36 0.00 0.00 54.97 53.49 3a8x s GLU 393 Cb -0.14 -2.13 0.00 0.00 0.26 0.00 0.00 34.13 32.12 3a8x s GLU 393 CO 0.04 0.09 0.73 0.41 -0.54 0.00 0.00 175.26 175.99 3a8x n GLY 394 N -1.13 -0.88 3.35 -1.50 0.00 -0.31 -4.82 105.19 99.90 3a8x n GLY 394 Ca -0.03 0.40 -0.45 0.00 0.00 0.00 0.00 46.02 45.94 3a8x n GLY 394 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a8x s LEU 395 N -6.70 5.81 0.01 0.99 1.98 0.30 -4.96 118.68 116.10 3a8x s LEU 395 Ca 0.43 -1.74 -0.30 0.00 -2.89 0.00 0.00 54.13 49.62 3a8x s LEU 395 Cb -0.17 -2.27 -0.06 0.00 0.66 0.00 0.00 46.19 44.36 3a8x s LEU 395 CO 0.88 -0.96 1.40 -0.60 -1.89 0.00 0.00 176.35 175.18 3a8x s ARG 396 N 2.02 4.29 0.00 1.98 3.52 -1.26 -4.17 118.95 125.33 3a8x s ARG 396 Ca 0.11 1.97 0.00 0.00 -0.13 0.00 0.00 55.73 57.68 3a8x s ARG 396 Cb -0.23 -3.55 0.00 0.00 -1.56 0.00 0.00 34.95 29.61 3a8x s ARG 396 CO 0.02 -0.56 0.00 -2.30 -0.81 0.00 0.00 175.30 171.65 3a8x n PRO 397 N 5.26 0.00 0.24 5.12 -0.02 -1.26 -0.90 135.00 143.44 3a8x n PRO 397 Ca 0.13 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.46 3a8x n PRO 397 Cb 0.44 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.83 3a8x n PRO 397 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3a8x h GLY 398 N 0.00 -0.62 -1.27 -1.23 0.00 -2.03 -3.47 103.07 94.45 3a8x h GLY 398 Ca 0.00 0.23 -0.47 0.00 0.00 0.00 0.00 47.33 47.09 3a8x h GLY 398 CO 0.00 -0.23 0.19 0.51 0.00 0.00 0.00 176.54 177.01 3a8x s ASP 399 N -4.76 3.91 0.29 0.19 -4.77 -0.08 -5.12 116.67 106.33 3a8x s ASP 399 Ca -0.16 -0.31 -0.01 0.00 -3.30 0.00 0.00 52.55 48.77 3a8x s ASP 399 Cb 0.03 0.09 -0.02 0.00 -1.09 0.00 0.00 42.92 41.93 3a8x s ASP 399 CO 0.59 -2.17 0.32 0.42 0.70 0.00 0.00 175.17 175.04 3a8x s THR 400 N -3.35 0.00 0.45 2.11 -4.23 -1.26 -4.85 115.64 104.50 3a8x s THR 400 Ca 0.70 -1.80 0.03 0.00 -1.18 0.00 0.00 61.69 59.44 3a8x s THR 400 Cb -0.04 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.28 3a8x s THR 400 CO 0.47 0.00 0.09 0.28 -0.54 0.00 0.00 174.62 174.92 3a8x s THR 401 N -3.60 0.77 -0.32 3.99 -1.32 -0.46 -4.88 115.64 109.82 3a8x s THR 401 Ca 0.35 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.83 3a8x s THR 401 Cb 0.02 -2.26 0.10 0.00 -1.51 0.00 0.00 72.50 68.85 3a8x s THR 401 CO 0.19 0.00 0.09 -0.55 -2.21 0.00 0.00 174.62 172.13 3a8x s SER 402 N -3.71 4.18 -0.08 8.08 0.15 -1.26 -1.69 113.70 119.37 3a8x s SER 402 Ca 0.17 -1.76 0.04 0.00 0.70 0.00 0.00 55.95 55.10 3a8x s SER 402 Cb 0.02 -1.02 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 3a8x s SER 402 CO 0.11 -0.41 -0.21 0.12 1.20 0.00 0.00 173.24 174.04 3a8x s PHE 404 N 1.46 2.28 -0.30 3.44 5.36 -1.26 -4.92 117.98 124.03 3a8x s PHE 404 Ca 0.10 -0.87 -0.16 0.00 -0.96 0.00 0.00 56.93 55.04 3a8x s PHE 404 Cb -0.18 -1.53 0.20 0.00 -0.34 0.00 0.00 43.02 41.17 3a8x s PHE 404 CO -0.22 -0.34 1.20 0.00 -1.46 0.00 0.00 175.22 174.40 3a8x n GLY 406 N 3.31 0.66 3.62 0.00 0.00 -1.26 -4.91 105.19 106.61 3a8x n GLY 406 Ca -0.17 -2.22 -0.39 0.00 0.00 0.00 0.00 46.02 43.25 3a8x n GLY 406 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a8x s THR 407 N -0.76 5.15 0.27 2.61 2.01 -1.26 -5.00 115.64 118.67 3a8x s THR 407 Ca 0.00 0.68 0.04 0.00 0.31 0.00 0.00 61.69 62.71 3a8x s THR 407 Cb 0.00 -3.74 0.35 0.00 0.01 0.00 0.00 72.50 69.13 3a8x s THR 407 CO 0.00 0.16 1.35 -2.65 -0.69 0.00 0.00 174.62 172.78 3a8x n PRO 408 N 5.23 -0.07 0.28 4.92 -0.02 -1.26 0.13 135.00 144.21 3a8x n PRO 408 Ca -0.07 1.27 0.13 0.00 -2.02 0.00 0.00 63.50 62.81 3a8x n PRO 408 Cb 0.51 -2.05 0.81 0.00 -0.02 0.00 0.00 33.50 32.74 3a8x n PRO 408 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 3a8x h ASN 409 N 0.00 0.00 -0.07 2.55 -1.24 -2.00 -3.12 115.58 111.71 3a8x h ASN 409 Ca 0.55 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.56 3a8x h ASN 409 Cb 1.18 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.23 3a8x h ASN 409 CO -0.79 0.03 0.00 -1.22 -1.29 0.00 0.00 177.43 174.16 3a8x n TYR 410 N -4.02 0.07 -2.68 0.67 4.02 0.34 -4.99 117.16 110.57 3a8x n TYR 410 Ca -0.03 -0.06 -0.43 0.00 -0.01 0.00 0.00 57.90 57.37 3a8x n TYR 410 Cb 0.11 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.40 3a8x n TYR 410 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3a8x s ILE 411 N -1.17 4.74 0.86 -0.72 1.01 -1.10 -4.37 121.20 120.45 3a8x s ILE 411 Ca 0.18 2.03 -0.11 0.00 0.00 0.00 0.00 60.65 62.75 3a8x s ILE 411 Cb 0.12 -4.31 0.12 0.00 0.01 0.00 0.00 42.46 38.40 3a8x s ILE 411 CO 0.18 -0.08 1.15 0.00 0.00 0.00 0.00 174.94 176.19 3a8x s ALA 412 N 2.56 1.70 0.28 9.38 0.00 -1.26 -4.85 121.76 129.57 3a8x s ALA 412 Ca 0.46 0.58 0.05 0.00 0.00 0.00 0.00 51.96 53.04 3a8x s ALA 412 Cb -0.17 -3.42 0.42 0.00 0.00 0.00 0.00 23.12 19.95 3a8x s ALA 412 CO 0.12 -2.47 1.70 -1.35 0.00 0.00 0.00 175.76 173.75 3a8x h PRO 413 N -1.53 0.33 -0.64 0.00 0.11 -1.90 -2.86 132.00 125.52 3a8x h PRO 413 Ca -0.44 -0.15 0.10 0.00 0.11 0.00 0.00 66.00 65.62 3a8x h PRO 413 Cb 1.27 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.25 3a8x h PRO 413 CO 0.44 0.66 -0.40 0.93 -0.21 0.00 0.00 178.00 179.42 3a8x h GLU 414 N 0.28 -0.17 -0.58 1.05 3.07 -1.92 0.38 114.58 116.70 3a8x h GLU 414 Ca 0.03 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.85 3a8x h GLU 414 Cb 0.79 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.71 3a8x h GLU 414 CO 0.06 -0.11 0.17 0.82 -1.40 0.00 0.00 179.01 178.55 3a8x h ILE 415 N -0.18 1.24 -0.28 3.13 2.04 -1.77 -0.64 117.51 121.06 3a8x h ILE 415 Ca 0.21 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 3a8x h ILE 415 Cb 0.56 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3a8x h ILE 415 CO -0.72 0.31 0.11 -0.07 0.00 0.00 0.00 178.15 177.78 3a8x h LEU 416 N 0.82 0.34 -0.54 1.44 3.38 -1.28 -1.60 115.31 117.88 3a8x h LEU 416 Ca 0.19 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 3a8x h LEU 416 Cb 0.30 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3a8x h LEU 416 CO -0.00 0.31 -0.63 0.03 0.09 0.00 0.00 178.44 178.24 3a8x h ARG 417 N 0.39 0.00 -0.04 1.13 3.08 0.09 -3.48 114.38 115.56 3a8x h ARG 417 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3a8x h ARG 417 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3a8x h ARG 417 CO -0.01 0.63 0.00 0.41 -1.07 0.00 0.00 179.97 179.93 3a8x n GLY 418 N 0.62 1.54 3.65 0.04 0.00 -0.35 -5.10 105.19 105.60 3a8x n GLY 418 Ca -0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 3a8x n GLY 418 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3a8x s GLU 419 N -1.03 2.09 0.37 1.61 -1.05 -1.15 -5.05 118.70 114.49 3a8x s GLU 419 Ca 0.00 -1.81 -0.28 0.00 -0.15 0.00 0.00 54.97 52.73 3a8x s GLU 419 Cb 0.00 -1.90 -0.11 0.00 -0.44 0.00 0.00 34.13 31.68 3a8x s GLU 419 CO 0.00 0.06 1.50 -0.51 0.95 0.00 0.00 175.26 177.26 3a8x s ASP 420 N -3.75 6.34 0.06 0.83 1.01 -1.26 -4.64 116.67 115.26 3a8x s ASP 420 Ca 0.36 3.05 0.01 0.00 0.71 0.00 0.00 52.55 56.68 3a8x s ASP 420 Cb 0.02 -2.67 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 3a8x s ASP 420 CO 0.20 -0.88 -0.05 -0.72 0.21 0.00 0.00 175.17 173.93 3a8x s TYR 421 N -1.03 0.63 0.00 4.23 -0.85 -0.68 -4.92 117.35 114.73 3a8x s TYR 421 Ca 0.54 -0.81 0.00 0.00 -0.52 0.00 0.00 57.07 56.28 3a8x s TYR 421 Cb -0.47 -0.40 0.00 0.00 0.38 0.00 0.00 41.96 41.47 3a8x s TYR 421 CO 0.62 -0.21 0.00 0.41 -1.52 0.00 0.00 175.55 174.85 3a8x n GLY 422 N 0.59 5.19 0.34 5.49 0.00 -1.26 -1.35 105.19 114.18 3a8x n GLY 422 Ca -0.17 -1.62 0.18 0.00 0.00 0.00 0.00 46.02 44.42 3a8x n GLY 422 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3a8x h PHE 423 N 0.00 0.00 -0.96 1.61 0.05 -1.95 -3.10 116.94 112.60 3a8x h PHE 423 Ca 0.00 0.00 0.30 0.00 3.82 0.00 0.00 57.97 62.09 3a8x h PHE 423 Cb 0.00 0.00 -0.16 0.00 2.00 0.00 0.00 35.95 37.79 3a8x h PHE 423 CO 0.00 0.00 0.32 0.66 -0.18 0.00 0.00 178.31 179.11 3a8x h SER 424 N 0.00 0.06 0.38 2.17 4.64 -1.92 -0.24 113.55 118.63 3a8x h SER 424 Ca 0.01 0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 3a8x h SER 424 Cb 0.42 0.30 -0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3a8x h SER 424 CO -0.00 -0.27 -0.11 -0.37 -0.87 0.00 0.00 176.83 175.21 3a8x h VAL 425 N 0.13 0.54 -0.13 0.95 -1.51 -1.95 -0.55 116.25 113.73 3a8x h VAL 425 Ca 0.67 -0.52 -0.14 0.00 -1.23 0.00 0.00 66.70 65.48 3a8x h VAL 425 Cb 1.52 1.34 -0.01 0.00 -2.13 0.00 0.00 31.29 32.01 3a8x h VAL 425 CO -0.74 0.11 -0.52 0.44 -1.23 0.00 0.00 177.57 175.63 3a8x h ASP 426 N 0.00 0.41 0.80 4.19 3.32 -1.30 -2.67 116.42 121.17 3a8x h ASP 426 Ca -0.00 -0.21 -0.21 0.00 0.02 0.00 0.00 57.03 56.63 3a8x h ASP 426 Cb 0.33 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3a8x h ASP 426 CO 0.01 0.86 -0.95 -0.50 -1.72 0.00 0.00 179.24 176.94 3a8x h TRP 427 N 0.29 0.14 -0.29 4.55 4.06 -1.18 -1.99 115.95 121.53 3a8x h TRP 427 Ca 0.01 -0.09 -0.02 0.00 2.06 0.00 0.00 58.89 60.86 3a8x h TRP 427 Cb 1.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 29.15 3a8x h TRP 427 CO 0.03 0.98 0.12 2.35 -3.56 0.00 0.00 178.44 178.37 3a8x h TRP 428 N 0.04 0.44 -0.47 0.49 2.91 -1.53 -2.18 115.95 115.65 3a8x h TRP 428 Ca -0.03 -0.03 0.02 0.00 1.13 0.00 0.00 58.89 59.97 3a8x h TRP 428 Cb 1.65 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 30.14 3a8x h TRP 428 CO 0.02 0.42 0.29 0.00 -1.03 0.00 0.00 178.44 178.14 3a8x h ALA 429 N 0.97 0.60 -0.71 2.65 0.00 -1.37 -0.38 119.26 121.02 3a8x h ALA 429 Ca 0.10 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3a8x h ALA 429 Cb 0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3a8x h ALA 429 CO -0.01 -0.01 0.47 1.25 0.00 0.00 0.00 179.25 180.95 3a8x h LEU 430 N 0.58 0.73 -0.46 0.00 5.85 -1.29 -0.61 115.31 120.11 3a8x h LEU 430 Ca 0.18 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3a8x h LEU 430 Cb -0.01 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3a8x h LEU 430 CO -0.07 0.49 0.24 1.23 -0.34 0.00 0.00 178.44 179.99 3a8x h GLY 431 N 0.84 0.69 1.01 3.75 0.00 -0.45 0.19 103.07 109.09 3a8x h GLY 431 Ca 0.29 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 3a8x h GLY 431 CO -0.09 0.31 0.38 -2.08 0.00 0.00 0.00 176.54 175.06 3a8x h VAL 432 N 0.60 1.22 -0.20 4.60 2.07 -0.62 -0.16 116.25 123.75 3a8x h VAL 432 Ca 0.16 -0.58 -0.12 0.00 0.82 0.00 0.00 66.70 66.97 3a8x h VAL 432 Cb 0.07 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3a8x h VAL 432 CO -0.02 0.25 -0.40 0.25 0.02 0.00 0.00 177.57 177.66 3a8x h LEU 433 N 0.99 0.49 -0.26 2.57 6.46 -0.66 -0.65 115.31 124.24 3a8x h LEU 433 Ca 0.25 -0.21 -0.17 0.00 -0.12 0.00 0.00 57.88 57.63 3a8x h LEU 433 Cb 0.06 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 39.86 3a8x h LEU 433 CO -0.04 0.84 -0.50 0.24 -0.62 0.00 0.00 178.44 178.36 3a8x h MET 434 N 0.38 0.80 -0.54 1.25 2.86 -0.27 -1.03 114.93 118.39 3a8x h MET 434 Ca 0.03 -0.51 0.09 0.00 -2.06 0.00 0.00 59.70 57.26 3a8x h MET 434 Cb 0.88 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.52 3a8x h MET 434 CO 0.07 1.14 0.12 0.35 1.06 0.00 0.00 176.91 179.65 3a8x h PHE 435 N 0.55 0.19 -0.66 -0.22 3.57 -0.71 -0.93 116.94 118.72 3a8x h PHE 435 Ca 0.01 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3a8x h PHE 435 Cb 1.11 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.82 3a8x h PHE 435 CO 0.08 -0.01 0.30 0.93 -2.23 0.00 0.00 178.31 177.38 3a8x h GLU 436 N 0.25 0.97 -0.59 1.11 5.08 -0.86 0.23 114.58 120.77 3a8x h GLU 436 Ca 0.28 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 3a8x h GLU 436 Cb 0.38 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3a8x h GLU 436 CO -0.35 0.78 0.05 0.52 -1.00 0.00 0.00 179.01 179.01 3a8x h MET 437 N 0.92 1.00 0.00 2.33 2.86 -0.79 0.12 114.93 121.37 3a8x h MET 437 Ca 0.22 -0.29 -0.26 0.00 -2.06 0.00 0.00 59.70 57.31 3a8x h MET 437 Cb 0.15 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 3a8x h MET 437 CO -0.02 0.97 -1.56 0.52 1.06 0.00 0.00 176.91 177.87 3a8x h MET 438 N 0.90 0.00 0.00 1.72 2.86 -0.83 0.06 114.93 119.64 3a8x h MET 438 Ca 0.17 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.72 3a8x h MET 438 Cb 0.48 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 3a8x h MET 438 CO 0.02 0.53 -1.78 0.00 1.06 0.00 0.00 176.91 176.74 3a8x n ALA 439 N -2.50 2.37 -1.11 6.32 0.00 0.78 -4.61 120.51 121.75 3a8x n ALA 439 Ca -0.13 -0.61 -0.04 0.00 0.00 0.00 0.00 53.44 52.65 3a8x n ALA 439 Cb 1.01 -0.75 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 3a8x n ALA 439 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a8x n GLY 440 N 1.36 0.65 3.27 0.00 0.00 0.41 -4.94 105.19 105.94 3a8x n GLY 440 Ca -0.09 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 3a8x n GLY 440 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3a8x s ARG 441 N -1.71 0.97 0.42 1.61 1.70 -1.24 -4.94 118.95 115.75 3a8x s ARG 441 Ca 0.00 -0.78 -0.24 0.00 -0.47 0.00 0.00 55.73 54.23 3a8x s ARG 441 Cb 0.00 0.42 -0.08 0.00 -0.57 0.00 0.00 34.95 34.71 3a8x s ARG 441 CO 0.00 -0.35 1.16 0.45 -1.08 0.00 0.00 175.30 175.47 3a8x s SER 442 N -2.77 6.45 0.00 -2.89 0.15 -1.26 -3.87 113.70 109.51 3a8x s SER 442 Ca 0.03 2.30 0.09 0.00 0.70 0.00 0.00 55.95 59.08 3a8x s SER 442 Cb 0.03 -2.61 0.45 0.00 -1.71 0.00 0.00 66.02 62.18 3a8x s SER 442 CO -0.11 -0.72 1.23 -0.81 1.20 0.00 0.00 173.24 174.03 3a8x n PRO 443 N -0.09 0.09 -0.31 5.44 -0.04 -1.26 -2.28 135.00 136.55 3a8x n PRO 443 Ca 0.05 0.25 0.08 0.00 -0.04 0.00 0.00 63.50 63.84 3a8x n PRO 443 Cb 0.47 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.64 3a8x n PRO 443 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3a8x n PHE 444 N -1.36 0.66 1.21 0.54 3.01 -1.26 -4.74 117.46 115.50 3a8x n PHE 444 Ca 0.04 -0.80 0.10 0.00 1.01 0.00 0.00 57.45 57.79 3a8x n PHE 444 Cb 0.09 -0.22 0.58 0.00 -0.01 0.00 0.00 39.48 39.92 3a8x n PHE 444 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3a8x n ASP 445 N -0.46 0.00 0.18 4.37 5.75 -0.96 -2.39 116.55 123.04 3a8x n ASP 445 Ca 0.17 -0.56 0.13 0.00 -0.01 0.00 0.00 54.79 54.53 3a8x n ASP 445 Cb 0.73 -0.03 0.63 0.00 -1.03 0.00 0.00 41.12 41.42 3a8x n ASP 445 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 3a8x h ILE 446 N 0.00 0.00 -3.40 2.12 6.09 -1.86 -3.50 117.51 116.96 3a8x h ILE 446 Ca 0.00 -0.15 -0.38 0.00 -1.37 0.00 0.00 64.86 62.96 3a8x h ILE 446 Cb 0.02 0.85 0.18 0.00 0.47 0.00 0.00 36.82 38.33 3a8x h ILE 446 CO 0.00 0.00 0.20 0.52 -3.07 0.00 0.00 178.15 175.80 3a8x n VAL 447 N -2.44 0.00 -0.25 2.19 0.31 -1.01 -5.18 118.33 111.95 3a8x n VAL 447 Ca 0.00 -0.59 -0.09 0.00 -0.01 0.00 0.00 64.34 63.64 3a8x n VAL 447 Cb 0.15 -1.32 0.01 0.00 -0.91 0.00 0.00 33.84 31.77 3a8x n VAL 447 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3a8x n THR 457 N -4.42 0.00 0.15 2.52 -2.24 -1.26 -5.12 114.28 103.92 3a8x n THR 457 Ca 0.15 -0.12 -0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3a8x n THR 457 Cb 0.55 0.00 0.23 0.00 -2.10 0.00 0.00 70.33 69.01 3a8x n THR 457 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3a8x h GLU 458 N -0.25 0.00 -0.70 -0.78 4.81 -2.05 -2.98 114.58 112.62 3a8x h GLU 458 Ca -0.11 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3a8x h GLU 458 Cb 0.33 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3a8x h GLU 458 CO 0.06 0.54 0.46 -0.44 -0.73 0.00 0.00 179.01 178.90 3a8x h ASP 459 N 0.00 0.80 0.07 1.04 3.45 -2.05 -2.47 116.42 117.26 3a8x h ASP 459 Ca -0.01 -0.02 -0.11 0.00 0.43 0.00 0.00 57.03 57.33 3a8x h ASP 459 Cb 0.95 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.51 3a8x h ASP 459 CO 0.07 0.58 -0.35 0.22 -1.57 0.00 0.00 179.24 178.18 3a8x h TYR 460 N 0.94 0.45 -0.47 4.55 -0.00 -1.98 -2.81 116.97 117.65 3a8x h TYR 460 Ca 0.26 -0.11 0.09 0.00 -0.00 0.00 0.00 58.73 58.97 3a8x h TYR 460 Cb -0.10 -0.10 -0.08 0.00 -0.00 0.00 0.00 36.73 36.44 3a8x h TYR 460 CO -0.03 0.70 -0.06 1.25 -0.00 0.00 0.00 178.16 180.02 3a8x h LEU 461 N 0.33 -0.33 -0.39 2.82 5.85 -1.30 -1.07 115.31 121.22 3a8x h LEU 461 Ca 0.04 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 3a8x h LEU 461 Cb 0.78 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3a8x h LEU 461 CO 0.06 -0.12 0.06 -0.26 -0.34 0.00 0.00 178.44 177.85 3a8x h PHE 462 N 0.05 0.68 -0.99 1.25 0.04 -1.25 -0.58 116.94 116.14 3a8x h PHE 462 Ca 0.23 -0.10 0.10 0.00 2.80 0.00 0.00 57.97 61.00 3a8x h PHE 462 Cb 0.35 -0.19 -0.08 0.00 2.20 0.00 0.00 35.95 38.24 3a8x h PHE 462 CO -0.36 0.68 0.63 0.37 -0.60 0.00 0.00 178.31 179.03 3a8x h GLN 463 N 0.49 1.03 -0.32 1.51 4.15 -1.27 -1.05 115.11 119.64 3a8x h GLN 463 Ca 0.12 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.38 3a8x h GLN 463 Cb 0.37 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 3a8x h GLN 463 CO 0.01 0.68 -0.17 0.28 -1.93 0.00 0.00 178.83 177.70 3a8x h VAL 464 N 1.06 1.29 -0.27 2.39 2.07 -0.60 0.27 116.25 122.46 3a8x h VAL 464 Ca 0.46 -1.28 0.03 0.00 0.82 0.00 0.00 66.70 66.73 3a8x h VAL 464 Cb 0.34 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3a8x h VAL 464 CO -0.23 0.41 0.18 0.40 0.02 0.00 0.00 177.57 178.36 3a8x h ILE 465 N 0.44 1.00 0.16 4.57 2.04 -0.74 -2.11 117.51 122.88 3a8x h ILE 465 Ca 0.07 -0.09 -0.35 0.00 1.00 0.00 0.00 64.86 65.49 3a8x h ILE 465 Cb 0.70 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3a8x h ILE 465 CO 0.05 0.05 -1.84 -0.07 0.00 0.00 0.00 178.15 176.33 3a8x h LEU 466 N 0.26 0.51 0.00 1.44 3.38 -0.73 -3.42 115.31 116.75 3a8x h LEU 466 Ca 0.11 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.18 3a8x h LEU 466 Cb 0.13 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3a8x h LEU 466 CO -0.02 1.79 -0.18 -0.62 0.09 0.00 0.00 178.44 179.49 3a8x n GLU 467 N -3.53 5.80 -4.50 1.13 1.02 0.90 -5.02 120.64 116.44 3a8x n GLU 467 Ca -0.27 -0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.53 3a8x n GLU 467 Cb 1.06 -0.63 -0.10 0.00 -0.02 0.00 0.00 31.44 31.75 3a8x n GLU 467 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3a8x s LYS 468 N -1.27 2.82 0.17 3.49 2.20 -0.80 -5.02 119.74 121.33 3a8x s LYS 468 Ca 0.01 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.80 3a8x s LYS 468 Cb 0.02 -2.66 -0.07 0.00 -1.51 0.00 0.00 37.83 33.60 3a8x s LYS 468 CO 0.08 0.67 1.03 -1.14 -0.36 0.00 0.00 175.35 175.63 3a8x s GLN 469 N -0.93 4.68 -0.20 4.03 0.74 -1.26 -4.84 119.66 121.88 3a8x s GLN 469 Ca 0.14 1.60 -0.27 0.00 0.05 0.00 0.00 55.36 56.88 3a8x s GLN 469 Cb -0.11 -3.30 -0.00 0.00 1.10 0.00 0.00 33.01 30.69 3a8x s GLN 469 CO 0.03 0.21 0.91 0.42 -0.55 0.00 0.00 175.29 176.30 3a8x s ILE 470 N -0.39 4.80 -0.42 -2.34 1.01 -1.26 -5.00 121.20 117.60 3a8x s ILE 470 Ca 0.47 1.77 -0.22 0.00 0.00 0.00 0.00 60.65 62.67 3a8x s ILE 470 Cb -0.27 -4.20 0.02 0.00 0.01 0.00 0.00 42.46 38.02 3a8x s ILE 470 CO 0.33 -0.06 0.72 -0.13 0.00 0.00 0.00 174.94 175.80 3a8x s ARG 471 N 2.61 3.48 -0.10 2.79 1.81 -1.26 -5.04 118.95 123.23 3a8x s ARG 471 Ca 0.40 -0.09 -0.25 0.00 -1.72 0.00 0.00 55.73 54.07 3a8x s ARG 471 Cb -0.16 -3.90 -0.03 0.00 -0.45 0.00 0.00 34.95 30.42 3a8x s ARG 471 CO 0.10 -0.98 0.80 0.42 -0.68 0.00 0.00 175.30 174.96 3a8x s ILE 472 N 3.02 4.95 0.14 1.52 1.01 -1.26 -5.00 121.20 125.59 3a8x s ILE 472 Ca 0.27 1.61 -0.34 0.00 0.00 0.00 0.00 60.65 62.18 3a8x s ILE 472 Cb -0.13 -4.12 -0.15 0.00 0.01 0.00 0.00 42.46 38.07 3a8x s ILE 472 CO 0.19 0.14 1.39 -2.65 0.00 0.00 0.00 174.94 174.01 3a8x n PRO 473 N 4.46 1.58 -0.13 2.79 -0.02 -1.26 -4.85 135.00 137.57 3a8x n PRO 473 Ca 0.02 0.57 0.08 0.00 -2.02 0.00 0.00 63.50 62.15 3a8x n PRO 473 Cb 0.50 -2.23 0.41 0.00 -0.02 0.00 0.00 33.50 32.16 3a8x n PRO 473 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a8x h ARG 474 N 4.74 0.61 0.00 -0.52 -0.00 -2.01 -2.37 114.38 114.83 3a8x h ARG 474 Ca -0.46 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 58.99 3a8x h ARG 474 Cb 1.30 -0.14 0.00 0.00 0.00 0.00 0.00 29.97 31.14 3a8x h ARG 474 CO 0.80 0.40 0.00 -1.13 0.00 0.00 0.00 179.97 180.04 3a8x n SER 475 N -4.48 0.04 -4.81 7.04 3.41 -1.26 -4.79 113.62 108.77 3a8x n SER 475 Ca 0.09 0.51 -0.33 0.00 -0.26 0.00 0.00 58.87 58.88 3a8x n SER 475 Cb 0.25 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 3a8x n SER 475 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3a8x s LEU 476 N -3.08 3.74 1.08 1.04 1.43 -0.90 -5.04 118.68 116.96 3a8x s LEU 476 Ca 0.09 1.80 -0.14 0.00 -1.03 0.00 0.00 54.13 54.85 3a8x s LEU 476 Cb 0.13 -4.54 0.23 0.00 0.03 0.00 0.00 46.19 42.04 3a8x s LEU 476 CO 0.37 -0.76 1.09 -0.94 0.23 0.00 0.00 176.35 176.33 3a8x s SER 477 N -2.39 1.93 0.12 2.29 1.04 -1.26 -4.78 113.70 110.64 3a8x s SER 477 Ca 0.64 1.05 -0.13 0.00 0.48 0.00 0.00 55.95 57.99 3a8x s SER 477 Cb -0.14 -1.63 -0.08 0.00 0.10 0.00 0.00 66.02 64.27 3a8x s SER 477 CO 0.25 -3.55 1.42 1.62 0.98 0.00 0.00 173.24 173.95 3a8x h VAL 478 N -2.18 1.29 -0.70 5.02 3.04 -1.97 -0.95 116.25 119.80 3a8x h VAL 478 Ca -0.53 -1.60 0.11 0.00 -1.01 0.00 0.00 66.70 63.67 3a8x h VAL 478 Cb 1.33 1.58 -0.08 0.00 -2.01 0.00 0.00 31.29 32.11 3a8x h VAL 478 CO 0.51 0.52 0.31 0.11 -1.01 0.00 0.00 177.57 178.01 3a8x h LYS 479 N 0.59 0.49 -0.11 4.17 1.57 -1.96 -1.07 116.57 120.24 3a8x h LYS 479 Ca 0.03 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 3a8x h LYS 479 Cb 1.01 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.22 3a8x h LYS 479 CO 0.10 0.32 -0.69 0.00 -0.57 0.00 0.00 179.45 178.61 3a8x h ALA 480 N 1.46 0.23 -0.96 3.86 0.00 -1.87 -1.68 119.26 120.30 3a8x h ALA 480 Ca 0.36 -0.57 0.05 0.00 0.00 0.00 0.00 54.91 54.75 3a8x h ALA 480 Cb 0.45 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3a8x h ALA 480 CO -0.32 0.55 0.63 0.00 0.00 0.00 0.00 179.25 180.10 3a8x h ALA 481 N 0.49 1.42 -0.12 0.00 0.00 -1.04 -1.78 119.26 118.23 3a8x h ALA 481 Ca -0.06 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3a8x h ALA 481 Cb 1.34 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3a8x h ALA 481 CO 0.14 0.47 -0.22 1.03 0.00 0.00 0.00 179.25 180.67 3a8x h SER 482 N 1.16 0.40 -0.73 0.00 0.87 -1.08 -1.05 113.55 113.13 3a8x h SER 482 Ca 0.40 -0.55 -0.07 0.00 -1.23 0.00 0.00 61.79 60.34 3a8x h SER 482 Cb 0.09 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 3a8x h SER 482 CO -0.14 0.87 0.20 1.62 -0.53 0.00 0.00 176.83 178.86 3a8x h VAL 483 N -0.05 1.26 -0.46 2.23 3.04 -1.10 -0.18 116.25 121.00 3a8x h VAL 483 Ca 0.01 -0.96 -0.04 0.00 -1.01 0.00 0.00 66.70 64.70 3a8x h VAL 483 Cb 0.80 0.48 -0.02 0.00 -2.01 0.00 0.00 31.29 30.55 3a8x h VAL 483 CO 0.05 0.37 0.12 -0.07 -1.01 0.00 0.00 177.57 177.03 3a8x h LEU 484 N 1.10 0.69 -0.97 3.16 3.38 -1.28 -1.56 115.31 119.84 3a8x h LEU 484 Ca 0.23 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3a8x h LEU 484 Cb 0.35 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3a8x h LEU 484 CO -0.00 0.74 -0.15 0.11 0.09 0.00 0.00 178.44 179.22 3a8x h LYS 485 N 0.61 0.58 -0.33 1.13 1.79 -0.98 -0.68 116.57 118.68 3a8x h LYS 485 Ca 0.14 -0.19 -0.08 0.00 -2.18 0.00 0.00 60.65 58.35 3a8x h LYS 485 Cb 0.31 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 3a8x h LYS 485 CO 0.00 0.71 -0.09 0.77 -1.08 0.00 0.00 179.45 179.76 3a8x h SER 486 N 0.52 0.65 0.53 0.86 0.02 -0.76 -2.98 113.55 112.39 3a8x h SER 486 Ca 0.09 -0.37 -0.17 0.00 -0.84 0.00 0.00 61.79 60.50 3a8x h SER 486 Cb 0.57 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 3a8x h SER 486 CO 0.04 0.87 -0.74 -0.26 -1.14 0.00 0.00 176.83 175.60 3a8x h PHE 487 N 0.43 0.23 -0.58 3.45 0.05 -1.20 -0.96 116.94 118.36 3a8x h PHE 487 Ca 0.08 -0.11 -0.15 0.00 3.82 0.00 0.00 57.97 61.61 3a8x h PHE 487 Cb 0.59 -0.03 -0.09 0.00 2.00 0.00 0.00 35.95 38.41 3a8x h PHE 487 CO 0.05 0.84 0.19 1.28 -0.18 0.00 0.00 178.31 180.50 3a8x n LEU 488 N -3.75 5.22 -4.68 1.54 4.77 -0.27 -4.27 117.00 115.56 3a8x n LEU 488 Ca -0.03 -2.70 -0.42 0.00 -0.03 0.00 0.00 56.01 52.83 3a8x n LEU 488 Cb 0.71 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3a8x n LEU 488 CO 0.46 0.69 1.22 0.21 -1.33 0.00 0.00 177.39 178.63 3a8x s ASN 489 N -0.69 6.75 0.00 -1.43 3.84 -1.13 -4.89 114.94 117.39 3a8x s ASN 489 Ca 0.44 2.23 0.12 0.00 0.21 0.00 0.00 52.86 55.86 3a8x s ASN 489 Cb 0.35 -2.56 0.60 0.00 -0.55 0.00 0.00 41.25 39.09 3a8x s ASN 489 CO 0.11 -0.80 1.34 0.29 -2.79 0.00 0.00 177.10 175.25 3a8x n LYS 490 N 5.71 0.12 -3.84 0.43 5.02 -1.26 -4.45 118.16 119.90 3a8x n LYS 490 Ca 0.15 0.21 -0.36 0.00 -2.02 0.00 0.00 58.31 56.28 3a8x n LYS 490 Cb 0.43 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.80 3a8x n LYS 490 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3a8x s ASP 491 N -2.70 4.88 0.40 4.39 3.68 -1.26 -4.66 116.67 121.40 3a8x s ASP 491 Ca 0.10 -0.90 0.09 0.00 2.13 0.00 0.00 52.55 53.97 3a8x s ASP 491 Cb 0.08 -1.79 0.87 0.00 -1.45 0.00 0.00 42.92 40.63 3a8x s ASP 491 CO 0.20 -0.20 1.98 1.55 0.13 0.00 0.00 175.17 178.83 3a8x h PRO 492 N 8.13 0.58 -0.52 4.34 0.13 -1.94 0.17 132.00 142.89 3a8x h PRO 492 Ca -0.29 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.79 3a8x h PRO 492 Cb 1.10 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.08 3a8x h PRO 492 CO 0.58 0.38 0.25 0.87 -0.23 0.00 0.00 178.00 179.86 3a8x h LYS 493 N 0.60 0.76 0.20 0.86 1.79 -1.94 -3.08 116.57 115.75 3a8x h LYS 493 Ca 0.28 -0.11 -0.31 0.00 -2.18 0.00 0.00 60.65 58.32 3a8x h LYS 493 Cb 0.33 -0.14 0.03 0.00 -1.58 0.00 0.00 32.23 30.87 3a8x h LYS 493 CO -0.09 0.63 -1.38 0.93 -1.08 0.00 0.00 179.45 178.46 3a8x h GLU 494 N 0.70 0.45 -6.32 3.15 5.08 -1.80 -3.41 114.58 112.43 3a8x h GLU 494 Ca 0.18 -0.75 -0.62 0.00 -1.00 0.00 0.00 59.36 57.16 3a8x h GLU 494 Cb 0.12 0.28 0.12 0.00 0.50 0.00 0.00 28.75 29.77 3a8x h GLU 494 CO -0.02 1.36 -0.13 -2.13 -1.00 0.00 0.00 179.01 177.09 3a8x n ARG 495 N -3.65 0.86 -1.64 2.33 0.63 0.54 -4.80 116.66 110.93 3a8x n ARG 495 Ca -0.14 0.30 -0.48 0.00 -0.92 0.00 0.00 57.85 56.61 3a8x n ARG 495 Cb 1.07 -1.56 -0.05 0.00 0.45 0.00 0.00 32.46 32.37 3a8x n ARG 495 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3a8x n LEU 496 N 1.43 2.50 0.00 6.15 7.94 -0.36 -2.38 117.00 132.28 3a8x n LEU 496 Ca 0.12 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.12 3a8x n LEU 496 Cb 0.31 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 42.93 3a8x n LEU 496 CO 0.58 -0.60 0.00 0.61 -1.11 0.00 0.00 177.39 176.87 3a8x n GLY 497 N 3.05 0.91 0.09 -3.96 0.00 -1.25 -4.80 105.19 99.23 3a8x n GLY 497 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 3a8x n GLY 497 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a8x s HIS 499 N -2.90 2.32 0.59 0.00 5.04 -1.26 -4.88 115.29 114.21 3a8x s HIS 499 Ca 0.11 0.23 0.29 0.00 -1.54 0.00 0.00 55.06 54.15 3a8x s HIS 499 Cb 0.17 -4.01 1.70 0.00 0.04 0.00 0.00 32.58 30.49 3a8x s HIS 499 CO 0.79 -4.08 2.14 -1.35 -2.34 0.00 0.00 174.74 169.90 3a8x h PRO 500 N 8.49 0.00 0.00 2.88 0.11 -1.95 0.24 132.00 141.77 3a8x h PRO 500 Ca -0.43 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.37 3a8x h PRO 500 Cb 1.20 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 3a8x h PRO 500 CO 0.93 0.00 -2.06 1.04 -0.21 0.00 0.00 178.00 177.70 3a8x n GLN 501 N -3.81 0.42 -0.09 1.05 3.00 -1.26 -4.67 117.38 112.01 3a8x n GLN 501 Ca 0.00 0.16 0.10 0.00 -0.01 0.00 0.00 57.00 57.26 3a8x n GLN 501 Cb 0.25 -1.22 0.14 0.00 0.00 0.00 0.00 30.24 29.41 3a8x n GLN 501 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 3a8x n THR 502 N -3.66 0.26 -0.28 5.09 -2.24 -1.20 -4.77 114.28 107.48 3a8x n THR 502 Ca -0.36 -0.63 -0.07 0.00 -2.27 0.00 0.00 64.05 60.71 3a8x n THR 502 Cb 0.79 1.18 -0.07 0.00 -2.10 0.00 0.00 70.33 70.13 3a8x n THR 502 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a8x n GLY 503 N 1.22 -2.21 0.25 3.38 0.00 0.84 -0.64 105.19 108.03 3a8x n GLY 503 Ca 0.15 0.88 -0.10 0.00 0.00 0.00 0.00 46.02 46.95 3a8x n GLY 503 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3a8x h PHE 504 N 0.00 0.88 -0.84 1.61 3.57 -1.83 -2.76 116.94 117.57 3a8x h PHE 504 Ca 0.11 -0.26 0.05 0.00 3.53 0.00 0.00 57.97 61.39 3a8x h PHE 504 Cb 0.27 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 3a8x h PHE 504 CO -0.83 1.01 0.53 0.00 -2.23 0.00 0.00 178.31 176.79 3a8x h ALA 505 N 0.95 1.12 -0.69 2.41 0.00 -1.25 -0.15 119.26 121.65 3a8x h ALA 505 Ca 0.05 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3a8x h ALA 505 Cb 0.94 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3a8x h ALA 505 CO 0.09 0.32 0.43 -0.44 0.00 0.00 0.00 179.25 179.65 3a8x h ASP 506 N 1.00 0.72 -0.52 0.00 3.45 -0.59 -1.50 116.42 118.97 3a8x h ASP 506 Ca 0.35 -0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.79 3a8x h ASP 506 Cb 0.08 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.67 3a8x h ASP 506 CO -0.14 0.50 0.28 0.40 -1.57 0.00 0.00 179.24 178.71 3a8x h ILE 507 N 0.86 1.18 0.00 0.35 2.04 -1.24 -2.94 117.51 117.76 3a8x h ILE 507 Ca 0.27 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 3a8x h ILE 507 Cb -0.00 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3a8x h ILE 507 CO -0.10 0.19 -0.16 1.56 0.00 0.00 0.00 178.15 179.64 3a8x h GLN 508 N 0.69 0.00 -0.46 2.37 4.20 -0.28 -3.04 115.11 118.59 3a8x h GLN 508 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3a8x h GLN 508 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3a8x h GLN 508 CO -0.03 0.16 0.00 0.41 -0.67 0.00 0.00 178.83 178.70 3a8x n GLY 509 N -0.83 3.09 3.76 3.46 0.00 -0.64 -4.83 105.19 109.20 3a8x n GLY 509 Ca -0.02 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 3a8x n GLY 509 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3a8x s HIS 510 N -1.83 3.73 0.35 1.61 5.04 -1.14 -4.96 115.29 118.10 3a8x s HIS 510 Ca 0.40 1.80 0.07 0.00 -1.54 0.00 0.00 55.06 55.79 3a8x s HIS 510 Cb 0.27 -3.09 0.76 0.00 0.04 0.00 0.00 32.58 30.56 3a8x s HIS 510 CO 0.18 -0.02 1.89 -1.00 -2.34 0.00 0.00 174.74 173.44 3a8x h PRO 511 N 3.71 0.74 -0.94 2.88 0.13 -1.93 -1.25 132.00 135.34 3a8x h PRO 511 Ca -0.46 -0.04 0.21 0.00 -0.87 0.00 0.00 66.00 64.83 3a8x h PRO 511 Cb 1.20 -0.17 -0.11 0.00 0.13 0.00 0.00 31.00 32.05 3a8x h PRO 511 CO 0.67 0.49 0.51 0.35 -0.23 0.00 0.00 178.00 179.78 3a8x h PHE 512 N 0.76 0.87 -0.66 1.56 3.57 -1.93 -1.04 116.94 120.06 3a8x h PHE 512 Ca 0.42 0.04 -0.29 0.00 3.53 0.00 0.00 57.97 61.67 3a8x h PHE 512 Cb 0.58 -0.24 -0.18 0.00 2.79 0.00 0.00 35.95 38.90 3a8x h PHE 512 CO -0.00 0.09 0.37 1.19 -2.23 0.00 0.00 178.31 177.74 3a8x n PHE 513 N -4.90 2.09 0.07 0.41 3.72 -0.47 -4.57 117.46 113.80 3a8x n PHE 513 Ca 0.23 -1.27 -0.11 0.00 -0.05 0.00 0.00 57.45 56.25 3a8x n PHE 513 Cb 0.62 -0.68 -0.01 0.00 -0.94 0.00 0.00 39.48 38.47 3a8x n PHE 513 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3a8x h ARG 514 N 1.22 0.34 -0.18 -1.08 2.43 -1.26 -2.80 114.38 113.05 3a8x h ARG 514 Ca 0.36 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3a8x h ARG 514 Cb 2.20 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.84 3a8x h ARG 514 CO 0.71 1.01 0.00 0.09 -1.51 0.00 0.00 179.97 180.27 3a8x n ASN 515 N -3.75 1.23 -4.60 -3.80 3.02 -1.26 -4.76 115.26 101.34 3a8x n ASN 515 Ca -0.05 -1.80 -0.42 0.00 -0.03 0.00 0.00 54.58 52.28 3a8x n ASN 515 Cb 0.78 -0.12 -0.06 0.00 -0.61 0.00 0.00 39.78 39.78 3a8x n ASN 515 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3a8x s VAL 516 N -1.76 4.86 -0.53 2.41 1.01 -1.06 -5.02 120.40 120.30 3a8x s VAL 516 Ca 0.24 0.92 -0.21 0.00 0.00 0.00 0.00 61.98 62.93 3a8x s VAL 516 Cb 0.12 -4.08 0.05 0.00 0.00 0.00 0.00 36.38 32.47 3a8x s VAL 516 CO 0.18 -0.24 0.77 1.51 0.00 0.00 0.00 175.10 177.32 3a8x s ASP 517 N 1.68 6.27 0.24 3.32 -4.77 -1.26 -4.94 116.67 117.21 3a8x s ASP 517 Ca 0.28 -0.69 0.23 0.00 -3.30 0.00 0.00 52.55 49.07 3a8x s ASP 517 Cb -0.14 -2.36 0.95 0.00 -1.09 0.00 0.00 42.92 40.28 3a8x s ASP 517 CO 0.13 -1.05 1.71 0.79 0.70 0.00 0.00 175.17 177.44 3a8x n TRP 518 N 6.76 0.78 0.00 2.11 7.02 -1.26 -2.32 117.44 130.53 3a8x n TRP 518 Ca -0.03 0.30 -0.18 0.00 -1.02 0.00 0.00 57.50 56.57 3a8x n TRP 518 Cb 0.46 -0.98 -0.14 0.00 -2.42 0.00 0.00 31.31 28.23 3a8x n TRP 518 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3a8x h ASP 519 N 0.00 0.29 0.75 -0.99 5.19 -1.98 -0.87 116.42 118.81 3a8x h ASP 519 Ca 0.00 -0.96 0.00 0.00 -0.62 0.00 0.00 57.03 55.45 3a8x h ASP 519 Cb 0.40 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.81 3a8x h ASP 519 CO 0.00 1.26 0.00 0.24 -3.12 0.00 0.00 179.24 177.62 3a8x h MET 520 N -0.61 0.00 0.00 3.56 2.86 -1.91 -2.36 114.93 116.48 3a8x h MET 520 Ca -0.10 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3a8x h MET 520 Cb 1.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.07 3a8x h MET 520 CO 0.09 0.00 -0.00 1.98 1.06 0.00 0.00 176.91 180.04 3a8x h MET 521 N 0.00 -0.00 -0.02 1.72 1.85 -1.43 0.23 114.93 117.28 3a8x h MET 521 Ca 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.10 3a8x h MET 521 Cb 0.38 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.40 3a8x h MET 521 CO 0.00 0.92 0.05 1.49 -0.40 0.00 0.00 176.91 178.97 3a8x h GLU 522 N -0.98 0.00 -0.66 0.39 4.81 -1.09 -1.41 114.58 115.64 3a8x h GLU 522 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3a8x h GLU 522 Cb 0.93 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.31 3a8x h GLU 522 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.32 3a8x n GLN 523 N -3.48 3.51 -3.87 1.92 6.02 -0.89 -4.84 117.38 115.75 3a8x n GLN 523 Ca -0.02 -2.83 -0.28 0.00 -0.01 0.00 0.00 57.00 53.85 3a8x n GLN 523 Cb 0.13 -1.81 0.03 0.00 1.02 0.00 0.00 30.24 29.60 3a8x n GLN 523 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3a8x n LYS 524 N 1.21 -5.44 -0.00 -1.09 5.02 -0.53 -4.89 118.16 112.44 3a8x n LYS 524 Ca 0.25 0.60 0.08 0.00 -2.02 0.00 0.00 58.31 57.23 3a8x n LYS 524 Cb 0.83 -5.42 -0.11 0.00 -0.02 0.00 0.00 35.03 30.31 3a8x n LYS 524 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3a8x n GLN 525 N -4.61 1.17 -2.63 1.97 6.02 0.79 -4.85 117.38 115.24 3a8x n GLN 525 Ca -0.03 -0.03 -0.43 0.00 -0.01 0.00 0.00 57.00 56.49 3a8x n GLN 525 Cb 0.56 -1.33 -0.02 0.00 1.02 0.00 0.00 30.24 30.47 3a8x n GLN 525 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3a8x s VAL 526 N -2.75 4.43 0.12 5.09 1.01 -1.02 -5.00 120.40 122.29 3a8x s VAL 526 Ca 0.04 1.60 -0.31 0.00 0.00 0.00 0.00 61.98 63.30 3a8x s VAL 526 Cb 0.13 -4.47 -0.11 0.00 0.00 0.00 0.00 36.38 31.93 3a8x s VAL 526 CO 0.71 -0.62 1.85 0.52 0.00 0.00 0.00 175.10 177.56 3a8x n VAL 527 N 6.13 0.38 -1.88 2.92 0.31 -1.26 -4.95 118.33 119.97 3a8x n VAL 527 Ca 0.12 -0.07 -0.33 0.00 -0.01 0.00 0.00 64.34 64.05 3a8x n VAL 527 Cb 0.48 -2.15 0.03 0.00 -0.91 0.00 0.00 33.84 31.29 3a8x n VAL 527 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3a8x s PRO 528 N 2.79 2.96 0.00 5.55 0.02 -1.26 -4.92 135.00 140.13 3a8x s PRO 528 Ca 0.82 1.42 0.21 0.00 0.02 0.00 0.00 61.00 63.47 3a8x s PRO 528 Cb -0.47 -1.97 0.92 0.00 0.02 0.00 0.00 34.50 33.00 3a8x s PRO 528 CO 0.37 -1.13 1.68 -0.35 -0.33 0.00 0.00 177.00 177.25 3a8x n PRO 529 N -2.16 0.02 -3.71 5.54 -0.04 -1.26 -4.74 135.00 128.64 3a8x n PRO 529 Ca 0.10 0.13 -0.11 0.00 -0.04 0.00 0.00 63.50 63.58 3a8x n PRO 529 Cb 0.52 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 3a8x n PRO 529 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3a8x s PHE 530 N -2.98 -0.51 -0.30 0.54 5.36 -1.26 -5.09 117.98 113.74 3a8x s PHE 530 Ca 0.11 1.13 -0.06 0.00 -0.96 0.00 0.00 56.93 57.15 3a8x s PHE 530 Cb 0.14 0.20 0.02 0.00 -0.34 0.00 0.00 43.02 43.03 3a8x s PHE 530 CO 0.39 -0.28 0.07 0.21 -1.46 0.00 0.00 175.22 174.15 3a8x s LYS 531 N 1.02 2.98 0.61 10.12 2.36 -1.26 -4.26 119.74 131.31 3a8x s LYS 531 Ca -0.07 -0.93 -0.19 0.00 -2.55 0.00 0.00 55.97 52.24 3a8x s LYS 531 Cb -0.07 -3.36 -0.04 0.00 -1.05 0.00 0.00 37.83 33.32 3a8x s LYS 531 CO -0.08 -0.48 1.12 -2.30 1.55 0.00 0.00 175.35 175.15 3a8x n PRO 532 N 4.84 1.05 -3.00 4.03 -0.02 -1.26 -4.94 135.00 135.69 3a8x n PRO 532 Ca -0.14 0.40 -0.41 0.00 -2.02 0.00 0.00 63.50 61.33 3a8x n PRO 532 Cb 0.47 -2.33 -0.05 0.00 -0.02 0.00 0.00 33.50 31.57 3a8x n PRO 532 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3a8x s ASN 533 N -1.26 6.69 -0.20 2.55 0.01 -1.26 -4.95 114.94 116.53 3a8x s ASN 533 Ca 0.78 0.84 -0.02 0.00 -0.71 0.00 0.00 52.86 53.75 3a8x s ASN 533 Cb -0.41 -2.39 -0.00 0.00 0.41 0.00 0.00 41.25 38.87 3a8x s ASN 533 CO 0.45 -0.46 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.85 3a8x s ILE 534 N 2.69 2.93 0.11 0.60 -1.09 -1.26 -4.81 121.20 120.37 3a8x s ILE 534 Ca 0.30 -0.65 0.10 0.00 -2.23 0.00 0.00 60.65 58.17 3a8x s ILE 534 Cb -0.15 -2.30 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 3a8x s ILE 534 CO 0.08 0.47 -0.24 -0.55 -1.23 0.00 0.00 174.94 173.48 3a8x s SER 535 N 1.27 3.48 0.21 3.58 0.15 -1.26 -4.95 113.70 116.19 3a8x s SER 535 Ca 0.03 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.02 3a8x s SER 535 Cb -0.14 -0.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 3a8x s SER 535 CO -0.05 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.19 3a8x n GLY 536 N 1.02 -1.20 0.19 9.45 0.00 -1.26 -1.88 105.19 111.52 3a8x n GLY 536 Ca -0.17 -1.24 0.04 0.00 0.00 0.00 0.00 46.02 44.64 3a8x n GLY 536 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a8x h GLU 537 N 0.00 0.00 0.00 1.61 4.81 -2.06 -3.37 114.58 115.57 3a8x h GLU 537 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3a8x h GLU 537 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3a8x h GLU 537 CO 0.00 0.37 -0.15 1.19 -0.73 0.00 0.00 179.01 179.69 3a8x n PHE 538 N -3.95 0.00 -2.63 0.92 3.72 -1.26 -5.05 117.46 109.21 3a8x n PHE 538 Ca -0.02 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.32 3a8x n PHE 538 Cb 0.42 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.99 3a8x n PHE 538 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a8x n GLY 539 N 0.62 0.29 0.12 1.37 0.00 -0.79 -4.95 105.19 101.85 3a8x n GLY 539 Ca 0.00 -0.32 0.15 0.00 0.00 0.00 0.00 46.02 45.85 3a8x n GLY 539 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a8x n LEU 540 N -2.01 0.39 0.10 0.99 4.77 -1.26 -4.13 117.00 115.86 3a8x n LEU 540 Ca -0.06 -0.05 0.13 0.00 -0.03 0.00 0.00 56.01 56.00 3a8x n LEU 540 Cb 0.54 -0.09 0.41 0.00 -2.33 0.00 0.00 43.42 41.96 3a8x n LEU 540 CO 0.21 0.07 0.89 0.47 -1.33 0.00 0.00 177.39 177.69 3a8x n ASP 541 N -0.82 0.79 -0.31 -1.43 9.92 -1.26 -2.53 116.55 120.91 3a8x n ASP 541 Ca 0.19 0.58 0.13 0.00 -0.53 0.00 0.00 54.79 55.16 3a8x n ASP 541 Cb 0.22 -0.79 0.42 0.00 -0.64 0.00 0.00 41.12 40.33 3a8x n ASP 541 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3a8x n ASN 542 N -2.24 1.15 -4.90 -2.24 3.02 -1.26 -4.83 115.26 103.97 3a8x n ASN 542 Ca 0.06 -1.06 -0.30 0.00 -0.03 0.00 0.00 54.58 53.25 3a8x n ASN 542 Cb 0.42 0.09 -0.04 0.00 -0.61 0.00 0.00 39.78 39.64 3a8x n ASN 542 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3a8x s PHE 543 N -2.36 3.47 0.05 3.10 0.40 -1.05 -4.57 117.98 117.03 3a8x s PHE 543 Ca 0.28 0.58 -0.31 0.00 -0.60 0.00 0.00 56.93 56.89 3a8x s PHE 543 Cb 0.20 -2.04 -0.07 0.00 0.51 0.00 0.00 43.02 41.62 3a8x s PHE 543 CO 0.46 0.32 1.54 0.34 0.70 0.00 0.00 175.22 178.58 3a8x s ASP 544 N -2.81 6.71 0.61 1.36 -1.08 -1.26 -4.88 116.67 115.32 3a8x s ASP 544 Ca 0.42 2.35 0.37 0.00 -0.52 0.00 0.00 52.55 55.16 3a8x s ASP 544 Cb -0.11 -2.57 1.98 0.00 -1.46 0.00 0.00 42.92 40.76 3a8x s ASP 544 CO 0.27 -0.80 2.25 0.77 0.52 0.00 0.00 175.17 178.17 3a8x h SER 545 N 7.94 0.00 -0.98 -0.34 4.64 -1.93 0.40 113.55 123.28 3a8x h SER 545 Ca -0.41 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.11 3a8x h SER 545 Cb 1.19 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.19 3a8x h SER 545 CO 0.91 0.02 0.61 -0.61 -0.87 0.00 0.00 176.83 176.90 3a8x h GLN 546 N 0.00 0.63 0.04 4.77 4.15 -1.98 0.08 115.11 122.80 3a8x h GLN 546 Ca -0.00 -0.04 -0.18 0.00 0.77 0.00 0.00 58.65 59.20 3a8x h GLN 546 Cb 0.12 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 3a8x h GLN 546 CO 0.00 0.42 -0.94 0.74 -1.93 0.00 0.00 178.83 177.12 3a8x h PHE 547 N 0.65 0.16 0.00 3.99 0.04 -0.51 -3.37 116.94 117.89 3a8x h PHE 547 Ca 0.54 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 61.20 3a8x h PHE 547 Cb 1.00 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.14 3a8x h PHE 547 CO -0.00 1.37 0.00 0.25 -0.60 0.00 0.00 178.31 179.32 3a8x n THR 548 N -4.31 0.85 1.45 -1.55 -2.24 -0.95 -1.41 114.28 106.11 3a8x n THR 548 Ca -0.23 0.24 0.14 0.00 -2.27 0.00 0.00 64.05 61.93 3a8x n THR 548 Cb 0.70 -1.16 0.49 0.00 -2.10 0.00 0.00 70.33 68.26 3a8x n THR 548 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3a8x n ASN 549 N -2.18 1.47 -4.77 3.42 3.02 -0.00 -4.67 115.26 111.55 3a8x n ASN 549 Ca 0.02 -1.42 -0.35 0.00 -0.03 0.00 0.00 54.58 52.80 3a8x n ASN 549 Cb 0.22 0.02 0.02 0.00 -0.61 0.00 0.00 39.78 39.43 3a8x n ASN 549 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3a8x s GLU 550 N -2.08 3.15 0.45 3.52 2.02 -0.50 -4.98 118.70 120.27 3a8x s GLU 550 Ca 0.36 1.64 -0.25 0.00 0.02 0.00 0.00 54.97 56.74 3a8x s GLU 550 Cb 0.21 -1.97 -0.09 0.00 0.10 0.00 0.00 34.13 32.38 3a8x s GLU 550 CO 0.36 -1.02 1.40 -0.35 0.02 0.00 0.00 175.26 175.67 3a8x n PRO 551 N -1.57 2.19 -2.88 0.39 -0.04 -1.26 -4.63 135.00 127.20 3a8x n PRO 551 Ca 0.12 0.78 -0.44 0.00 -0.04 0.00 0.00 63.50 63.93 3a8x n PRO 551 Cb 0.51 -2.59 -0.02 0.00 -0.04 0.00 0.00 33.50 31.36 3a8x n PRO 551 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3a8x s VAL 552 N -1.19 4.70 0.20 0.52 1.01 -1.26 -4.76 120.40 119.62 3a8x s VAL 552 Ca 0.61 -1.74 -0.23 0.00 0.00 0.00 0.00 61.98 60.63 3a8x s VAL 552 Cb -0.46 -4.85 0.05 0.00 0.00 0.00 0.00 36.38 31.12 3a8x s VAL 552 CO 0.58 -1.59 0.69 0.00 0.00 0.00 0.00 175.10 174.77 3a8x s GLN 553 N 2.72 1.47 0.00 2.72 -2.07 -1.26 -5.01 119.66 118.23 3a8x s GLN 553 Ca 0.37 -0.70 0.00 0.00 -1.82 0.00 0.00 55.36 53.21 3a8x s GLN 553 Cb -0.04 0.58 0.00 0.00 -1.09 0.00 0.00 33.01 32.46 3a8x s GLN 553 CO -0.07 -0.66 0.00 1.28 -1.32 0.00 0.00 175.29 174.52 3a8x n LEU 554 N -0.41 0.00 -4.68 2.60 4.77 -1.26 -5.06 117.00 112.96 3a8x n LEU 554 Ca -0.10 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.59 3a8x n LEU 554 Cb 0.62 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.63 3a8x n LEU 554 CO 0.13 0.00 -0.33 -2.84 -1.33 0.00 0.00 177.39 173.02 3a8x s PRO 556 N 3.18 2.50 0.51 3.23 0.02 -1.26 -5.23 135.00 137.95 3a8x s PRO 556 Ca 0.00 -0.92 -0.19 0.00 0.02 0.00 0.00 61.00 59.90 3a8x s PRO 556 Cb 0.00 -2.48 -0.08 0.00 0.02 0.00 0.00 34.50 31.96 3a8x s PRO 556 CO 0.00 0.51 1.04 -0.51 -0.33 0.00 0.00 177.00 177.71 3a8x s ASP 557 N -2.51 6.24 -0.29 2.53 -0.00 -1.26 -5.05 116.67 116.33 3a8x s ASP 557 Ca 0.26 1.90 -0.05 0.00 -0.00 0.00 0.00 52.55 54.66 3a8x s ASP 557 Cb -0.11 -2.55 0.02 0.00 -0.00 0.00 0.00 42.92 40.28 3a8x s ASP 557 CO 0.18 -0.85 0.04 -0.62 -0.00 0.00 0.00 175.17 173.92 3a8x s ASP 558 N -2.16 4.92 0.07 0.27 -1.08 -1.26 -5.00 116.67 112.43 3a8x s ASP 558 Ca 0.66 -0.89 0.22 0.00 -0.52 0.00 0.00 52.55 52.02 3a8x s ASP 558 Cb -0.16 -1.80 0.88 0.00 -1.46 0.00 0.00 42.92 40.38 3a8x s ASP 558 CO 0.23 -0.21 1.68 0.47 0.52 0.00 0.00 175.17 177.86 3a8x n ASP 559 N 4.78 0.21 0.16 -0.34 9.92 -1.26 -0.69 116.55 129.32 3a8x n ASP 559 Ca -0.14 0.54 0.02 0.00 -0.53 0.00 0.00 54.79 54.68 3a8x n ASP 559 Cb 0.47 -0.59 0.22 0.00 -0.64 0.00 0.00 41.12 40.57 3a8x n ASP 559 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3a8x h ASP 560 N 0.00 0.00 0.05 -2.24 5.19 -2.00 -2.81 116.42 114.61 3a8x h ASP 560 Ca 0.00 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.10 3a8x h ASP 560 Cb 0.40 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.88 3a8x h ASP 560 CO 0.00 0.51 -1.73 -0.38 -3.12 0.00 0.00 179.24 174.52 3a8x n ILE 561 N -3.55 1.63 0.07 0.35 -0.00 -0.13 -4.53 119.36 113.20 3a8x n ILE 561 Ca -0.00 -0.33 -0.07 0.00 -0.00 0.00 0.00 62.75 62.35 3a8x n ILE 561 Cb 0.60 -1.88 0.07 0.00 -0.00 0.00 0.00 39.64 38.44 3a8x n ILE 561 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 3a8x h VAL 562 N -0.54 1.40 -0.86 1.39 2.07 -1.01 -2.07 116.25 116.63 3a8x h VAL 562 Ca -0.42 -2.11 0.21 0.00 0.82 0.00 0.00 66.70 65.20 3a8x h VAL 562 Cb 1.64 2.09 -0.05 0.00 -1.52 0.00 0.00 31.29 33.45 3a8x h VAL 562 CO -0.11 0.63 0.59 0.03 0.02 0.00 0.00 177.57 178.72 3a8x h ARG 563 N 0.21 0.25 -0.00 1.57 3.08 -1.74 -2.29 114.38 115.46 3a8x h ARG 563 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3a8x h ARG 563 Cb 1.22 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3a8x h ARG 563 CO 0.11 0.17 -0.20 1.63 -1.07 0.00 0.00 179.97 180.61 3a8x n LYS 564 N -4.43 0.46 -2.24 0.04 5.02 -0.78 -4.88 118.16 111.35 3a8x n LYS 564 Ca 0.18 -0.19 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3a8x n LYS 564 Cb 0.75 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.24 3a8x n LYS 564 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3a8x s ILE 565 N -2.67 3.33 -0.78 -0.18 1.01 -0.86 -4.96 121.20 116.09 3a8x s ILE 565 Ca 0.22 1.05 -0.22 0.00 0.00 0.00 0.00 60.65 61.70 3a8x s ILE 565 Cb 0.19 -3.67 0.07 0.00 0.01 0.00 0.00 42.46 39.06 3a8x s ILE 565 CO 0.54 0.13 1.12 -0.62 0.00 0.00 0.00 174.94 176.11 3a8x s ASP 566 N 0.55 6.32 0.46 3.58 2.15 -1.26 -4.91 116.67 123.56 3a8x s ASP 566 Ca 0.58 -1.20 0.24 0.00 0.43 0.00 0.00 52.55 52.60 3a8x s ASP 566 Cb -0.36 -2.46 1.12 0.00 -0.30 0.00 0.00 42.92 40.93 3a8x s ASP 566 CO 0.35 -1.43 1.93 1.56 -0.17 0.00 0.00 175.17 177.41 3a8x h GLN 567 N 9.51 0.00 0.00 4.34 1.08 -1.97 -2.58 115.11 125.49 3a8x h GLN 567 Ca -0.12 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 3a8x h GLN 567 Cb 1.05 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.48 3a8x h GLN 567 CO 1.21 0.21 -0.03 0.66 -0.95 0.00 0.00 178.83 179.93 3a8x h SER 568 N 0.00 0.00 0.24 1.46 4.64 -2.00 -0.90 113.55 116.99 3a8x h SER 568 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a8x h SER 568 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3a8x h SER 568 CO 0.03 0.03 0.00 -0.08 -0.87 0.00 0.00 176.83 175.94 3a8x h GLU 569 N 0.00 0.00 -0.03 4.77 4.57 -1.89 -2.79 114.58 119.21 3a8x h GLU 569 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3a8x h GLU 569 Cb 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 3a8x h GLU 569 CO 0.00 0.00 0.00 1.19 -1.18 0.00 0.00 179.01 179.02 3a8x n PHE 570 N -2.72 0.07 -1.70 0.92 3.01 -0.34 -5.01 117.46 111.68 3a8x n PHE 570 Ca -0.01 -0.75 -0.43 0.00 1.01 0.00 0.00 57.45 57.26 3a8x n PHE 570 Cb 0.11 -0.11 -0.01 0.00 -0.01 0.00 0.00 39.48 39.46 3a8x n PHE 570 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3a8x n GLU 571 N -0.90 2.18 -1.25 -1.08 1.02 -1.05 -2.54 120.64 117.03 3a8x n GLU 571 Ca 0.09 0.77 -0.09 0.00 -0.02 0.00 0.00 57.16 57.91 3a8x n GLU 571 Cb 0.47 -2.38 -0.04 0.00 -0.02 0.00 0.00 31.44 29.47 3a8x n GLU 571 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a8x n GLY 572 N 1.09 0.99 0.33 0.62 0.00 -1.26 -4.90 105.19 102.05 3a8x n GLY 572 Ca 0.06 -0.35 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 3a8x n GLY 572 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3a8x h PHE 573 N 0.00 1.15 -2.20 1.61 3.57 -1.89 -3.45 116.94 115.73 3a8x h PHE 573 Ca -0.17 -0.12 -0.62 0.00 3.53 0.00 0.00 57.97 60.59 3a8x h PHE 573 Cb 0.71 -0.33 0.12 0.00 2.79 0.00 0.00 35.95 39.24 3a8x h PHE 573 CO 0.34 0.92 -0.07 0.39 -2.23 0.00 0.00 178.31 177.66 3a8x n GLU 574 N -4.24 0.98 -3.64 1.11 4.71 -1.26 -4.71 120.64 113.59 3a8x n GLU 574 Ca 0.05 0.34 -0.14 0.00 -0.01 0.00 0.00 57.16 57.41 3a8x n GLU 574 Cb 0.24 -1.64 -0.07 0.00 -1.01 0.00 0.00 31.44 28.96 3a8x n GLU 574 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 3a8x s TYR 575 N -1.12 -0.73 -0.03 -0.32 5.04 -0.90 -4.93 117.35 114.37 3a8x s TYR 575 Ca 0.60 1.76 0.02 0.00 -2.44 0.00 0.00 57.07 57.01 3a8x s TYR 575 Cb -0.72 0.26 0.01 0.00 0.35 0.00 0.00 41.96 41.85 3a8x s TYR 575 CO 0.59 -0.37 -0.07 0.42 -1.34 0.00 0.00 175.55 174.78 3a8x s ILE 576 N 0.27 0.66 0.66 3.14 1.01 -1.26 -0.73 121.20 124.94 3a8x s ILE 576 Ca -0.01 -0.28 -0.18 0.00 0.00 0.00 0.00 60.65 60.18 3a8x s ILE 576 Cb -0.04 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.81 3a8x s ILE 576 CO 0.01 0.22 1.29 -0.46 0.00 0.00 0.00 174.94 176.01 3a8x n ASN 577 N 3.40 2.05 -0.50 3.58 0.23 -0.37 -4.92 115.26 118.73 3a8x n ASN 577 Ca -0.19 0.82 0.10 0.00 -0.53 0.00 0.00 54.58 54.78 3a8x n ASN 577 Cb 0.54 -1.56 0.38 0.00 -2.08 0.00 0.00 39.78 37.07 3a8x n ASN 577 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 3a8x n PRO 578 N -1.96 1.65 0.00 -0.53 -0.04 -1.26 -5.08 135.00 127.77 3a8x n PRO 578 Ca 0.16 -0.98 0.15 0.00 -0.04 0.00 0.00 63.50 62.79 3a8x n PRO 578 Cb 0.48 -1.38 0.88 0.00 -0.04 0.00 0.00 33.50 33.45 3a8x n PRO 578 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74