#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a8x s ASP 238 N 0.00 3.47 0.60 7.83 1.11 -1.26 -5.02 116.67 123.40 3a8x s ASP 238 Ca 0.00 1.64 -0.18 0.00 0.18 0.00 0.00 52.55 54.18 3a8x s ASP 238 Cb 0.00 -2.30 -0.03 0.00 1.07 0.00 0.00 42.92 41.66 3a8x s ASP 238 CO 0.00 -2.66 1.18 -2.16 1.18 0.00 0.00 175.17 172.71 3a8x s PRO 239 N -4.86 2.99 0.29 8.23 0.04 -1.26 -4.93 135.00 135.49 3a8x s PRO 239 Ca 0.64 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 63.14 3a8x s PRO 239 Cb -0.19 -1.94 -0.14 0.00 0.04 0.00 0.00 34.50 32.28 3a8x s PRO 239 CO 0.57 -1.18 1.12 1.28 0.04 0.00 0.00 177.00 178.83 3a8x n LEU 240 N -1.66 2.31 0.00 -3.56 4.77 -1.26 -5.02 117.00 112.58 3a8x n LEU 240 Ca 0.13 1.18 -0.10 0.00 -0.03 0.00 0.00 56.01 57.19 3a8x n LEU 240 Cb 0.50 -1.34 -0.04 0.00 -2.33 0.00 0.00 43.42 40.21 3a8x n LEU 240 CO 0.44 -1.10 -0.06 0.61 -1.33 0.00 0.00 177.39 175.95 3a8x n GLY 241 N 1.21 3.59 0.26 -0.72 0.00 -1.26 -4.82 105.19 103.44 3a8x n GLY 241 Ca 0.09 -1.88 -0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 0.46 -1.18 0.99 5.85 -1.95 -1.45 115.31 118.02 3a8x h LEU 242 Ca -0.13 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3a8x h LEU 242 Cb 0.57 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3a8x h LEU 242 CO 0.19 0.28 0.06 1.67 -0.34 0.00 0.00 178.44 180.31 3a8x n GLN 243 N -4.85 0.12 0.00 1.25 -0.06 -1.26 -1.53 117.38 111.04 3a8x n GLN 243 Ca 0.09 0.61 0.15 0.00 -2.00 0.00 0.00 57.00 55.85 3a8x n GLN 243 Cb 0.22 -1.95 0.85 0.00 -4.06 0.00 0.00 30.24 25.30 3a8x n GLN 243 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3a8x n ASP 244 N -2.14 0.14 -4.27 1.69 8.00 -0.55 -4.85 116.55 114.57 3a8x n ASP 244 Ca -0.01 -0.78 -0.28 0.00 0.71 0.00 0.00 54.79 54.43 3a8x n ASP 244 Cb 0.09 -0.08 -0.15 0.00 -0.02 0.00 0.00 41.12 40.97 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 -2.18 1.99 -0.03 1.24 0.40 -0.58 -1.17 117.98 117.64 3a8x s PHE 245 Ca 0.41 -0.38 -0.18 0.00 -0.60 0.00 0.00 56.93 56.17 3a8x s PHE 245 Cb 0.21 -1.22 -0.05 0.00 0.51 0.00 0.00 43.02 42.47 3a8x s PHE 245 CO 0.40 0.05 0.51 -0.51 0.70 0.00 0.00 175.22 176.37 3a8x s ASP 246 N -0.94 6.85 -0.20 1.36 1.01 0.56 -4.91 116.67 120.40 3a8x s ASP 246 Ca 0.09 1.01 -0.20 0.00 0.71 0.00 0.00 52.55 54.17 3a8x s ASP 246 Cb -0.09 -2.31 -0.03 0.00 1.01 0.00 0.00 42.92 41.50 3a8x s ASP 246 CO 0.01 0.14 0.58 -0.76 0.21 0.00 0.00 175.17 175.35 3a8x s LEU 247 N -0.25 4.14 -0.16 1.23 1.43 -1.26 -0.91 118.68 122.89 3a8x s LEU 247 Ca 0.27 0.74 -0.00 0.00 -1.03 0.00 0.00 54.13 54.11 3a8x s LEU 247 Cb -0.17 -2.80 -0.10 0.00 0.03 0.00 0.00 46.19 43.15 3a8x s LEU 247 CO 0.14 -0.24 -0.16 0.18 0.23 0.00 0.00 176.35 176.51 3a8x n LEU 248 N 5.00 2.74 -3.55 1.79 4.77 1.00 -5.00 117.00 123.75 3a8x n LEU 248 Ca -0.03 -0.05 -0.11 0.00 -0.03 0.00 0.00 56.01 55.79 3a8x n LEU 248 Cb 0.50 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 3a8x n LEU 248 CO 0.43 0.72 0.26 -0.13 -1.33 0.00 0.00 177.39 177.33 3a8x s ARG 249 N -2.33 1.15 -0.14 3.23 1.81 -1.08 -4.96 118.95 116.64 3a8x s ARG 249 Ca -0.22 -0.61 -0.17 0.00 -1.72 0.00 0.00 55.73 53.01 3a8x s ARG 249 Cb 0.06 0.52 -0.04 0.00 -0.45 0.00 0.00 34.95 35.04 3a8x s ARG 249 CO 0.37 -0.47 0.44 0.08 -0.68 0.00 0.00 175.30 175.03 3a8x s VAL 250 N -3.76 5.21 0.00 3.52 1.01 -1.26 -0.29 120.40 124.83 3a8x s VAL 250 Ca 0.02 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.86 3a8x s VAL 250 Cb 0.01 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3a8x s VAL 250 CO -0.12 0.32 0.09 2.30 0.00 0.00 0.00 175.10 177.69 3a8x n ILE 251 N 3.75 0.00 -3.55 2.22 -5.35 0.16 -3.15 119.36 113.44 3a8x n ILE 251 Ca -0.08 -0.49 -0.08 0.00 -0.27 0.00 0.00 62.75 61.84 3a8x n ILE 251 Cb 0.52 1.00 -0.03 0.00 -1.74 0.00 0.00 39.64 39.39 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 -0.81 -0.36 -0.24 3.28 0.00 -0.99 -4.72 107.32 103.48 3a8x s GLY 252 Ca 0.00 1.44 -0.15 0.00 0.00 0.00 0.00 44.72 46.01 3a8x s GLY 252 CO 0.00 0.56 0.60 -1.60 0.00 0.00 0.00 173.10 172.66 3a8x s ARG 253 N -2.45 0.63 0.00 2.90 3.52 -1.26 -0.33 118.95 121.95 3a8x s ARG 253 Ca 0.05 1.03 0.00 0.00 -0.13 0.00 0.00 55.73 56.68 3a8x s ARG 253 Cb -0.01 0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.52 3a8x s ARG 253 CO -0.06 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.71 3a8x n GLY 254 N 3.97 7.21 0.36 8.12 0.00 -0.57 -5.01 105.19 119.27 3a8x n GLY 254 Ca -0.20 -1.92 0.08 0.00 0.00 0.00 0.00 46.02 43.99 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 0.00 0.88 0.00 1.61 0.02 -2.03 -3.30 113.55 110.72 3a8x h SER 255 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3a8x h SER 255 Cb 0.00 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.42 3a8x h SER 255 CO 0.00 0.45 0.00 0.00 -1.14 0.00 0.00 176.83 176.14 3a8x n TYR 256 N -4.62 0.00 -3.90 3.45 4.11 -1.26 -5.09 117.16 109.85 3a8x n TYR 256 Ca 0.19 -0.05 -0.11 0.00 -0.00 0.00 0.00 57.90 57.94 3a8x n TYR 256 Cb 0.39 -0.01 -0.10 0.00 -0.00 0.00 0.00 39.34 39.63 3a8x n TYR 256 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3a8x s ALA 257 N -0.10 -0.20 -0.09 -3.48 0.00 -1.25 -4.32 121.76 112.33 3a8x s ALA 257 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.71 3a8x s ALA 257 Cb 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 3a8x s ALA 257 CO 0.00 -0.20 -0.12 0.21 0.00 0.00 0.00 175.76 175.65 3a8x s LYS 258 N -1.43 2.93 -0.19 0.00 2.20 -0.60 -1.51 119.74 121.14 3a8x s LYS 258 Ca -0.15 -0.66 -0.03 0.00 -0.36 0.00 0.00 55.97 54.77 3a8x s LYS 258 Cb -0.08 -2.53 -0.01 0.00 -1.51 0.00 0.00 37.83 33.69 3a8x s LYS 258 CO 0.01 0.46 -0.05 0.08 -0.36 0.00 0.00 175.35 175.48 3a8x s VAL 259 N -0.29 3.47 0.15 4.02 1.01 0.55 -0.40 120.40 128.91 3a8x s VAL 259 Ca 0.03 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.60 3a8x s VAL 259 Cb -0.13 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 3a8x s VAL 259 CO 0.03 0.46 -0.04 -0.76 0.00 0.00 0.00 175.10 174.78 3a8x s LEU 260 N 0.99 3.22 -0.03 3.92 2.01 -0.46 0.38 118.68 128.70 3a8x s LEU 260 Ca -0.00 -0.40 -0.27 0.00 0.01 0.00 0.00 54.13 53.47 3a8x s LEU 260 Cb -0.15 -1.91 -0.03 0.00 0.01 0.00 0.00 46.19 44.11 3a8x s LEU 260 CO 0.00 0.12 0.85 -0.22 1.01 0.00 0.00 176.35 178.12 3a8x s LEU 261 N -2.68 4.35 0.21 1.79 0.20 0.60 0.03 118.68 123.18 3a8x s LEU 261 Ca 0.25 1.45 0.02 0.00 0.69 0.00 0.00 54.13 56.54 3a8x s LEU 261 Cb -0.10 -3.35 -0.05 0.00 -0.43 0.00 0.00 46.19 42.26 3a8x s LEU 261 CO 0.17 -0.19 0.04 0.68 -0.29 0.00 0.00 176.35 176.76 3a8x s VAL 262 N 0.90 0.66 -0.07 1.68 -7.23 -0.05 -0.00 120.40 116.29 3a8x s VAL 262 Ca 0.45 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.64 3a8x s VAL 262 Cb -0.20 -2.34 0.02 0.00 0.56 0.00 0.00 36.38 34.42 3a8x s VAL 262 CO 0.24 -0.28 -0.09 -0.60 -0.31 0.00 0.00 175.10 174.06 3a8x s ARG 263 N -3.96 1.41 -0.39 4.82 3.52 -0.09 -1.80 118.95 122.46 3a8x s ARG 263 Ca 0.30 -0.29 -0.29 0.00 -0.13 0.00 0.00 55.73 55.32 3a8x s ARG 263 Cb 0.07 -1.27 0.01 0.00 -1.56 0.00 0.00 34.95 32.20 3a8x s ARG 263 CO 0.08 -0.06 1.26 -1.17 -0.81 0.00 0.00 175.30 174.60 3a8x s LEU 264 N 0.94 3.72 0.18 -0.88 2.96 -0.21 -0.32 118.68 125.07 3a8x s LEU 264 Ca -0.10 0.84 -0.13 0.00 -0.22 0.00 0.00 54.13 54.51 3a8x s LEU 264 Cb -0.15 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.10 3a8x s LEU 264 CO 0.01 -1.22 1.82 0.11 -1.32 0.00 0.00 176.35 175.74 3a8x h LYS 265 N 9.57 0.63 -0.71 1.98 1.57 -1.47 0.33 116.57 128.46 3a8x h LYS 265 Ca -0.25 -0.04 0.15 0.00 -1.87 0.00 0.00 60.65 58.64 3a8x h LYS 265 Cb 1.08 -0.14 -0.13 0.00 0.08 0.00 0.00 32.23 33.12 3a8x h LYS 265 CO 1.08 0.42 -0.10 0.87 -0.57 0.00 0.00 179.45 181.15 3a8x h LYS 266 N 0.65 0.04 0.00 3.15 1.57 -1.92 -3.10 116.57 116.96 3a8x h LYS 266 Ca 0.21 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3a8x h LYS 266 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3a8x h LYS 266 CO -0.09 0.03 -0.80 0.25 -0.57 0.00 0.00 179.45 178.27 3a8x n THR 267 N -5.41 0.00 -1.29 -0.16 -2.24 -1.03 -4.99 114.28 99.16 3a8x n THR 267 Ca 0.11 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 3a8x n THR 267 Cb 0.40 0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.44 -4.32 -4.90 3.42 2.03 0.11 -5.00 116.55 106.44 3a8x n ASP 268 Ca 0.01 0.24 -0.29 0.00 0.52 0.00 0.00 54.79 55.27 3a8x n ASP 268 Cb 0.19 -2.70 -0.03 0.00 -0.72 0.00 0.00 41.12 37.86 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 -2.75 3.64 -0.09 -0.67 0.52 -1.23 -4.87 118.95 113.49 3a8x s ARG 269 Ca 0.00 -0.01 -0.01 0.00 -0.52 0.00 0.00 55.73 55.18 3a8x s ARG 269 Cb 0.00 -2.68 -0.03 0.00 0.52 0.00 0.00 34.95 32.76 3a8x s ARG 269 CO 0.00 0.26 -0.02 0.42 0.02 0.00 0.00 175.30 175.98 3a8x s ILE 270 N -2.00 4.12 0.12 1.52 1.09 -1.26 -1.04 121.20 123.75 3a8x s ILE 270 Ca 0.43 -0.31 -0.01 0.00 -1.10 0.00 0.00 60.65 59.66 3a8x s ILE 270 Cb -0.11 -2.73 -0.04 0.00 -1.06 0.00 0.00 42.46 38.52 3a8x s ILE 270 CO 0.28 0.59 0.05 -0.31 -0.10 0.00 0.00 174.94 175.46 3a8x s TYR 271 N -0.70 0.81 0.45 3.97 2.02 -0.75 -4.60 117.35 118.55 3a8x s TYR 271 Ca 0.11 -1.20 -0.05 0.00 -0.37 0.00 0.00 57.07 55.55 3a8x s TYR 271 Cb -0.12 -0.46 -0.04 0.00 -0.40 0.00 0.00 41.96 40.95 3a8x s TYR 271 CO 0.02 -0.51 0.75 0.00 -1.57 0.00 0.00 175.55 174.25 3a8x s ALA 272 N -4.03 3.43 -0.13 3.71 0.00 0.14 -0.87 121.76 124.01 3a8x s ALA 272 Ca 0.22 -0.50 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 3a8x s ALA 272 Cb 0.07 -2.55 0.05 0.00 0.00 0.00 0.00 23.12 20.69 3a8x s ALA 272 CO 0.00 -0.25 0.05 1.41 0.00 0.00 0.00 175.76 176.97 3a8x s MET 273 N -4.54 0.31 -0.19 0.00 1.75 0.10 -0.84 119.30 115.91 3a8x s MET 273 Ca 0.47 -0.03 -0.21 0.00 -1.25 0.00 0.00 55.69 54.68 3a8x s MET 273 Cb -0.10 -1.43 -0.03 0.00 2.84 0.00 0.00 34.83 36.11 3a8x s MET 273 CO 0.42 -0.51 0.61 0.21 -0.65 0.00 0.00 175.02 175.11 3a8x s LYS 274 N 2.03 4.23 -0.20 4.11 2.20 0.90 -1.36 119.74 131.65 3a8x s LYS 274 Ca 0.03 0.60 -0.01 0.00 -0.36 0.00 0.00 55.97 56.23 3a8x s LYS 274 Cb -0.15 -3.56 0.01 0.00 -1.51 0.00 0.00 37.83 32.62 3a8x s LYS 274 CO -0.07 -0.19 -0.13 0.08 -0.36 0.00 0.00 175.35 174.68 3a8x s VAL 275 N 1.76 2.63 -0.15 4.02 1.01 0.46 -0.73 120.40 129.41 3a8x s VAL 275 Ca 0.29 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3a8x s VAL 275 Cb -0.16 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.07 3a8x s VAL 275 CO 0.11 0.48 -0.21 -0.69 0.00 0.00 0.00 175.10 174.78 3a8x s VAL 276 N 1.37 2.12 -0.07 2.92 1.01 0.11 -1.56 120.40 126.31 3a8x s VAL 276 Ca 0.05 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 3a8x s VAL 276 Cb -0.14 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3a8x s VAL 276 CO -0.09 0.54 1.31 -0.54 0.00 0.00 0.00 175.10 176.33 3a8x s LYS 277 N 0.87 4.29 0.56 2.72 1.02 -1.26 -0.09 119.74 127.85 3a8x s LYS 277 Ca -0.05 1.79 0.26 0.00 0.02 0.00 0.00 55.97 58.00 3a8x s LYS 277 Cb -0.15 -3.64 1.48 0.00 -0.52 0.00 0.00 37.83 34.99 3a8x s LYS 277 CO -0.03 -0.58 2.01 0.87 -0.92 0.00 0.00 175.35 176.70 3a8x h LYS 278 N 7.91 0.00 0.00 1.68 1.57 -0.90 0.47 116.57 127.30 3a8x h LYS 278 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3a8x h LYS 278 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3a8x h LYS 278 CO 0.91 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 178.94 3a8x n GLU 279 N -4.10 0.12 0.10 3.15 0.28 -1.26 -1.21 120.64 117.72 3a8x n GLU 279 Ca 0.07 0.40 0.12 0.00 -0.16 0.00 0.00 57.16 57.58 3a8x n GLU 279 Cb 0.52 -1.75 0.04 0.00 1.43 0.00 0.00 31.44 31.68 3a8x n GLU 279 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 3a8x h LEU 280 N 0.00 0.00 -5.04 -1.84 3.38 -1.28 -3.40 115.31 107.13 3a8x h LEU 280 Ca 0.00 -0.05 -0.32 0.00 0.09 0.00 0.00 57.88 57.60 3a8x h LEU 280 Cb 0.27 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.61 3a8x h LEU 280 CO 0.00 0.03 -1.06 1.33 0.09 0.00 0.00 178.44 178.83 3a8x n VAL 281 N -2.58 1.52 0.99 1.22 0.24 -0.35 -4.83 118.33 114.54 3a8x n VAL 281 Ca 0.01 -3.24 0.11 0.00 -2.04 0.00 0.00 64.34 59.18 3a8x n VAL 281 Cb 0.53 0.70 0.03 0.00 -1.47 0.00 0.00 33.84 33.62 3a8x n VAL 281 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3a8x n ASN 282 N -0.57 2.31 -4.97 -1.34 4.05 -1.01 -4.12 115.26 109.62 3a8x n ASN 282 Ca 0.15 -1.66 -0.21 0.00 0.45 0.00 0.00 54.58 53.31 3a8x n ASN 282 Cb 0.83 0.33 0.03 0.00 1.23 0.00 0.00 39.78 42.20 3a8x n ASN 282 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 3a8x s ASP 283 N -2.31 5.50 0.00 1.20 1.01 -1.26 -4.92 116.67 115.89 3a8x s ASP 283 Ca 0.21 0.05 0.00 0.00 0.71 0.00 0.00 52.55 53.52 3a8x s ASP 283 Cb 0.18 -1.08 0.00 0.00 1.01 0.00 0.00 42.92 43.03 3a8x s ASP 283 CO 0.48 -0.95 0.00 -0.90 0.21 0.00 0.00 175.17 174.01 3a8x n ASP 284 N -2.20 0.00 0.16 0.27 5.75 -1.26 -2.35 116.55 116.92 3a8x n ASP 284 Ca 0.06 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.97 3a8x n ASP 284 Cb 0.59 0.00 0.52 0.00 -1.03 0.00 0.00 41.12 41.20 3a8x n ASP 284 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 3a8x h GLU 285 N 0.00 0.00 0.52 0.11 4.11 -1.98 -2.92 114.58 114.42 3a8x h GLU 285 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 3a8x h GLU 285 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 3a8x h GLU 285 CO 0.00 0.00 -0.25 -0.44 0.07 0.00 0.00 179.01 178.39 3a8x h ASP 286 N 0.00 -0.59 -0.48 3.06 3.32 -1.77 -2.62 116.42 117.34 3a8x h ASP 286 Ca 0.00 -0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.15 3a8x h ASP 286 Cb 0.46 0.15 -0.09 0.00 0.22 0.00 0.00 39.33 40.07 3a8x h ASP 286 CO 0.00 -0.38 -0.14 0.40 -1.72 0.00 0.00 179.24 177.39 3a8x h ILE 287 N -0.74 0.48 -0.98 0.35 1.08 -1.33 0.49 117.51 116.86 3a8x h ILE 287 Ca -0.07 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.54 3a8x h ILE 287 Cb 0.55 0.48 -0.09 0.00 -3.07 0.00 0.00 36.82 34.70 3a8x h ILE 287 CO 0.12 0.00 0.62 0.44 -0.69 0.00 0.00 178.15 178.64 3a8x h ASP 288 N -0.03 0.85 0.23 1.72 3.45 -1.68 -1.47 116.42 119.50 3a8x h ASP 288 Ca 0.23 0.06 -0.24 0.00 0.43 0.00 0.00 57.03 57.50 3a8x h ASP 288 Cb 0.38 -0.11 0.01 0.00 -0.56 0.00 0.00 39.33 39.05 3a8x h ASP 288 CO -0.51 0.42 -1.00 -0.25 -1.57 0.00 0.00 179.24 176.33 3a8x h TRP 289 N 0.90 0.76 -0.82 4.55 7.01 0.26 -1.15 115.95 127.45 3a8x h TRP 289 Ca 0.50 -0.42 -0.03 0.00 2.11 0.00 0.00 58.89 61.05 3a8x h TRP 289 Cb 0.61 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.55 3a8x h TRP 289 CO -0.00 1.25 0.38 0.28 -2.79 0.00 0.00 178.44 177.56 3a8x h VAL 290 N 0.28 1.26 -0.63 2.65 2.07 -0.63 -2.44 116.25 118.81 3a8x h VAL 290 Ca -0.10 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 3a8x h VAL 290 Cb 1.64 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3a8x h VAL 290 CO 0.18 0.31 0.27 1.56 0.02 0.00 0.00 177.57 179.91 3a8x h GLN 291 N 1.18 0.94 -0.11 1.57 1.08 -1.06 -1.78 115.11 116.93 3a8x h GLN 291 Ca 0.28 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 3a8x h GLN 291 Cb 0.14 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 3a8x h GLN 291 CO -0.03 0.78 0.06 1.15 -0.95 0.00 0.00 178.83 179.84 3a8x h THR 292 N 0.88 1.01 -0.97 -0.54 2.02 -1.05 0.18 112.91 114.45 3a8x h THR 292 Ca 0.21 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.38 3a8x h THR 292 Cb 0.18 0.87 -0.06 0.00 -1.74 0.00 0.00 68.15 67.40 3a8x h THR 292 CO -0.02 0.02 0.63 -0.08 0.37 0.00 0.00 175.52 176.45 3a8x h GLU 293 N 0.14 1.20 -0.51 6.66 4.81 -1.31 0.15 114.58 125.71 3a8x h GLU 293 Ca 0.04 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3a8x h GLU 293 Cb -0.01 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.08 3a8x h GLU 293 CO -0.02 0.80 0.23 -0.22 -0.73 0.00 0.00 179.01 179.06 3a8x h LYS 294 N 1.24 0.76 -0.29 1.92 3.64 -0.87 -1.21 116.57 121.76 3a8x h LYS 294 Ca 0.38 -0.13 -0.17 0.00 -1.27 0.00 0.00 60.65 59.46 3a8x h LYS 294 Cb -0.02 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3a8x h LYS 294 CO -0.12 0.65 -0.51 0.45 -2.27 0.00 0.00 179.45 177.65 3a8x h HIS 295 N 0.69 1.01 -0.60 1.91 3.86 0.00 -2.63 115.15 119.39 3a8x h HIS 295 Ca 0.17 -0.35 -0.04 0.00 -1.16 0.00 0.00 60.37 59.00 3a8x h HIS 295 Cb 0.16 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.41 3a8x h HIS 295 CO 0.00 1.15 0.23 0.28 0.86 0.00 0.00 177.93 180.46 3a8x h VAL 296 N 0.63 1.23 -0.77 2.45 2.07 -0.63 -1.42 116.25 119.81 3a8x h VAL 296 Ca 0.02 -0.73 0.15 0.00 0.82 0.00 0.00 66.70 66.96 3a8x h VAL 296 Cb 1.10 0.58 -0.10 0.00 -1.52 0.00 0.00 31.29 31.35 3a8x h VAL 296 CO 0.11 0.28 0.31 -0.26 0.02 0.00 0.00 177.57 178.04 3a8x h PHE 297 N 0.84 0.53 -0.06 1.57 0.05 -1.11 0.86 116.94 119.62 3a8x h PHE 297 Ca 0.20 0.04 -0.01 0.00 3.82 0.00 0.00 57.97 62.02 3a8x h PHE 297 Cb 0.21 -0.12 -0.00 0.00 2.00 0.00 0.00 35.95 38.04 3a8x h PHE 297 CO 0.01 0.06 -0.01 1.49 -0.18 0.00 0.00 178.31 179.69 3a8x h GLU 298 N 0.45 0.11 -0.66 1.51 4.81 -1.02 -3.15 114.58 116.62 3a8x h GLU 298 Ca 0.43 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.61 3a8x h GLU 298 Cb 0.66 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 3a8x h GLU 298 CO -0.41 0.41 0.38 1.96 -0.73 0.00 0.00 179.01 180.62 3a8x h GLN 299 N -0.21 0.91 0.00 1.92 1.08 -0.67 0.34 115.11 118.48 3a8x h GLN 299 Ca 0.02 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3a8x h GLN 299 Cb 0.37 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 3a8x h GLN 299 CO 0.00 0.67 0.00 0.00 -0.95 0.00 0.00 178.83 178.55 3a8x n ALA 300 N -2.32 0.32 0.00 3.87 0.00 0.29 -4.73 120.51 117.94 3a8x n ALA 300 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3a8x n ALA 300 Cb 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.31 3a8x n ALA 300 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3a8x n SER 301 N -0.43 0.00 -2.27 0.00 2.88 0.11 -2.49 113.62 111.42 3a8x n SER 301 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 3a8x n SER 301 Cb 0.00 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 63.60 3a8x n SER 301 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3a8x n ASN 302 N -1.04 5.41 -4.67 -3.46 2.04 -1.26 -4.50 115.26 107.79 3a8x n ASN 302 Ca 0.00 -3.68 -0.45 0.00 -0.44 0.00 0.00 54.58 50.01 3a8x n ASN 302 Cb 0.00 -0.90 -0.03 0.00 -2.53 0.00 0.00 39.78 36.32 3a8x n ASN 302 CO 0.00 0.00 0.00 1.57 -0.44 0.00 0.00 177.26 178.39 3a8x n HIS 303 N -1.05 2.13 0.29 -2.53 -0.00 -1.04 -4.86 115.22 108.16 3a8x n HIS 303 Ca 0.61 0.44 0.18 0.00 0.46 0.00 0.00 57.72 59.41 3a8x n HIS 303 Cb 1.25 -2.45 0.84 0.00 -0.12 0.00 0.00 29.99 29.50 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 4.15 0.00 -0.20 1.57 0.13 -1.90 -2.96 132.00 132.79 3a8x h PRO 304 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3a8x h PRO 304 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3a8x h PRO 304 CO 0.75 0.04 0.00 1.19 -0.23 0.00 0.00 178.00 179.75 3a8x n PHE 305 N -3.22 0.72 -4.28 1.56 3.72 -1.26 -4.84 117.46 109.86 3a8x n PHE 305 Ca -0.01 -0.90 -0.21 0.00 -0.05 0.00 0.00 57.45 56.28 3a8x n PHE 305 Cb 0.23 -0.27 -0.13 0.00 -0.94 0.00 0.00 39.48 38.37 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 -2.82 2.25 -0.05 4.37 1.43 -1.12 -0.97 118.68 121.77 3a8x s LEU 306 Ca 0.40 -0.59 -0.30 0.00 -1.03 0.00 0.00 54.13 52.60 3a8x s LEU 306 Cb 0.32 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 3a8x s LEU 306 CO 0.08 0.00 1.29 -0.69 0.23 0.00 0.00 176.35 177.26 3a8x s VAL 307 N -1.11 4.05 0.38 -1.59 1.01 -1.02 -4.76 120.40 117.36 3a8x s VAL 307 Ca 0.02 1.38 0.03 0.00 0.00 0.00 0.00 61.98 63.41 3a8x s VAL 307 Cb -0.09 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 3a8x s VAL 307 CO 0.03 -0.02 0.56 -0.83 0.00 0.00 0.00 175.10 174.83 3a8x s GLY 308 N 1.74 1.53 -0.22 4.51 0.00 -1.26 -4.88 107.32 108.74 3a8x s GLY 308 Ca 0.59 -1.22 -0.06 0.00 0.00 0.00 0.00 44.72 44.03 3a8x s GLY 308 CO 0.23 -1.10 0.03 -2.27 0.00 0.00 0.00 173.10 169.98 3a8x s LEU 309 N -4.34 3.34 -0.11 0.66 2.96 -1.26 -1.84 118.68 118.09 3a8x s LEU 309 Ca 0.45 -0.19 -0.21 0.00 -0.22 0.00 0.00 54.13 53.96 3a8x s LEU 309 Cb -0.10 -1.87 -0.27 0.00 0.50 0.00 0.00 46.19 44.46 3a8x s LEU 309 CO 0.34 0.03 0.66 -0.74 -1.32 0.00 0.00 176.35 175.33 3a8x h HIS 310 N 7.73 0.31 -2.30 5.38 -0.00 -0.28 -3.41 115.15 122.58 3a8x h HIS 310 Ca -0.37 -0.23 0.11 0.00 -0.00 0.00 0.00 60.37 59.89 3a8x h HIS 310 Cb 1.18 -0.01 -0.15 0.00 -0.00 0.00 0.00 27.41 28.43 3a8x h HIS 310 CO 0.62 1.35 0.49 -1.54 -0.00 0.00 0.00 177.93 178.84 3a8x s SER 311 N -6.80 -0.35 0.07 3.26 1.04 -1.04 -1.02 113.70 108.86 3a8x s SER 311 Ca -0.19 -0.03 0.08 0.00 0.48 0.00 0.00 55.95 56.29 3a8x s SER 311 Cb 0.02 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 3a8x s SER 311 CO 0.74 -0.65 -0.23 0.00 0.98 0.00 0.00 173.24 174.09 3a8x s PHE 313 N -0.92 0.64 0.05 0.00 -0.12 -0.96 -1.78 117.98 114.88 3a8x s PHE 313 Ca 0.09 -1.06 -0.00 0.00 -0.05 0.00 0.00 56.93 55.91 3a8x s PHE 313 Cb -0.09 0.31 -0.03 0.00 -0.63 0.00 0.00 43.02 42.57 3a8x s PHE 313 CO 0.03 -1.31 -0.03 1.14 -0.05 0.00 0.00 175.22 174.99 3a8x s GLN 314 N -2.80 0.55 0.20 1.99 -2.07 -1.26 -1.26 119.66 115.00 3a8x s GLN 314 Ca 0.24 -1.06 0.01 0.00 -1.82 0.00 0.00 55.36 52.73 3a8x s GLN 314 Cb -0.02 0.14 0.01 0.00 -1.09 0.00 0.00 33.01 32.05 3a8x s GLN 314 CO 0.16 -0.08 0.11 0.25 -1.32 0.00 0.00 175.29 174.41 3a8x n THR 315 N 0.51 0.00 -0.33 3.63 -2.24 -0.23 -4.86 114.28 110.75 3a8x n THR 315 Ca -0.17 -0.82 -0.03 0.00 -2.27 0.00 0.00 64.05 60.77 3a8x n THR 315 Cb 0.59 -0.20 0.02 0.00 -2.10 0.00 0.00 70.33 68.64 3a8x n THR 315 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3a8x h GLU 316 N 0.00 -0.05 -0.00 -0.78 4.39 -2.01 -3.22 114.58 112.90 3a8x h GLU 316 Ca -0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.57 3a8x h GLU 316 Cb 0.46 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3a8x h GLU 316 CO 0.21 -0.03 -0.77 -1.13 -1.16 0.00 0.00 179.01 176.13 3a8x n SER 317 N -5.45 0.78 -4.04 1.42 3.41 -1.26 -4.93 113.62 103.54 3a8x n SER 317 Ca 0.08 -0.89 -0.13 0.00 -0.26 0.00 0.00 58.87 57.67 3a8x n SER 317 Cb 0.38 1.00 -0.12 0.00 -0.26 0.00 0.00 64.21 65.21 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 -2.54 0.50 -0.04 4.33 0.52 -1.22 -0.17 118.95 120.32 3a8x s ARG 318 Ca 0.06 -0.68 -0.02 0.00 -0.52 0.00 0.00 55.73 54.58 3a8x s ARG 318 Cb 0.12 -0.28 -0.04 0.00 0.52 0.00 0.00 34.95 35.28 3a8x s ARG 318 CO 0.67 0.05 0.08 -0.51 0.02 0.00 0.00 175.30 175.61 3a8x s LEU 319 N -1.39 3.93 -0.09 2.53 1.43 0.87 -1.06 118.68 124.90 3a8x s LEU 319 Ca -0.09 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 3a8x s LEU 319 Cb -0.09 -2.16 0.02 0.00 0.03 0.00 0.00 46.19 43.99 3a8x s LEU 319 CO 0.00 0.32 -0.09 -0.36 0.23 0.00 0.00 176.35 176.45 3a8x s PHE 320 N -1.11 1.34 -0.28 0.29 0.08 -0.39 -0.71 117.98 117.20 3a8x s PHE 320 Ca 0.20 -0.57 -0.07 0.00 0.12 0.00 0.00 56.93 56.61 3a8x s PHE 320 Cb -0.12 -1.08 -0.00 0.00 -0.57 0.00 0.00 43.02 41.25 3a8x s PHE 320 CO 0.10 -0.38 0.08 -0.06 -0.10 0.00 0.00 175.22 174.86 3a8x s PHE 321 N 1.25 3.13 -0.31 0.36 0.40 0.09 -2.26 117.98 120.63 3a8x s PHE 321 Ca -0.04 -0.84 -0.20 0.00 -0.60 0.00 0.00 56.93 55.26 3a8x s PHE 321 Cb -0.14 -2.25 -0.01 0.00 0.51 0.00 0.00 43.02 41.13 3a8x s PHE 321 CO -0.03 -0.52 0.61 0.08 0.70 0.00 0.00 175.22 176.05 3a8x s VAL 322 N 1.53 4.95 0.26 -0.44 1.01 0.51 -0.07 120.40 128.16 3a8x s VAL 322 Ca 0.04 0.77 0.05 0.00 0.00 0.00 0.00 61.98 62.84 3a8x s VAL 322 Cb -0.17 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 3a8x s VAL 322 CO 0.03 -0.15 -0.02 0.27 0.00 0.00 0.00 175.10 175.23 3a8x s ILE 323 N 2.57 1.28 0.20 2.22 -4.36 -0.02 0.50 121.20 123.60 3a8x s ILE 323 Ca 0.24 -2.06 -0.32 0.00 -0.26 0.00 0.00 60.65 58.24 3a8x s ILE 323 Cb -0.15 -2.44 -0.14 0.00 1.25 0.00 0.00 42.46 40.98 3a8x s ILE 323 CO 0.12 -0.28 1.41 -0.62 0.24 0.00 0.00 174.94 175.81 3a8x n GLU 324 N -0.51 1.87 -2.83 0.37 1.02 -0.77 -0.69 120.64 119.10 3a8x n GLU 324 Ca -0.05 0.67 -0.42 0.00 -0.02 0.00 0.00 57.16 57.34 3a8x n GLU 324 Cb 0.64 -2.33 -0.04 0.00 -0.02 0.00 0.00 31.44 29.69 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 0.19 3.22 -0.23 -0.32 5.04 -1.26 -4.21 117.35 119.77 3a8x s TYR 325 Ca 0.73 1.01 0.02 0.00 -2.44 0.00 0.00 57.07 56.38 3a8x s TYR 325 Cb -0.71 -3.32 0.04 0.00 0.35 0.00 0.00 41.96 38.32 3a8x s TYR 325 CO 0.47 -0.59 -0.13 0.08 -1.34 0.00 0.00 175.55 174.04 3a8x s VAL 326 N 3.14 2.25 -0.12 3.14 1.01 -1.26 -4.92 120.40 123.64 3a8x s VAL 326 Ca 0.37 -1.29 0.17 0.00 0.00 0.00 0.00 61.98 61.23 3a8x s VAL 326 Cb -0.14 -2.16 0.26 0.00 0.00 0.00 0.00 36.38 34.34 3a8x s VAL 326 CO 0.12 0.21 1.13 -0.46 0.00 0.00 0.00 175.10 176.10 3a8x n ASN 327 N 4.54 2.16 -0.21 3.32 6.94 -1.26 -4.65 115.26 126.10 3a8x n ASN 327 Ca -0.17 -2.96 0.14 0.00 -0.02 0.00 0.00 54.58 51.57 3a8x n ASN 327 Cb 0.46 -0.40 0.57 0.00 -2.36 0.00 0.00 39.78 38.05 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 -1.30 -0.69 1.63 4.83 0.00 0.11 -4.74 105.19 105.04 3a8x n GLY 328 Ca 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 1.25 -1.81 3.29 -0.02 0.00 -1.22 -4.66 105.19 102.02 3a8x n GLY 329 Ca 0.16 -1.87 -0.15 0.00 0.00 0.00 0.00 46.02 44.15 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 0.93 0.48 1.61 3.84 -1.26 -0.51 116.67 117.76 3a8x s ASP 330 Ca 0.00 -1.39 0.30 0.00 -0.00 0.00 0.00 52.55 51.46 3a8x s ASP 330 Cb 0.00 0.23 1.04 0.00 -1.38 0.00 0.00 42.92 42.80 3a8x s ASP 330 CO 0.00 -0.76 1.85 -0.07 -0.00 0.00 0.00 175.17 176.19 3a8x h LEU 331 N 2.44 0.00 0.21 2.11 3.38 -0.94 -1.37 115.31 121.14 3a8x h LEU 331 Ca -0.38 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 3a8x h LEU 331 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3a8x h LEU 331 CO 0.58 0.00 -0.10 -0.03 0.09 0.00 0.00 178.44 178.98 3a8x h MET 332 N 0.00 -0.28 -0.76 1.13 4.05 -1.80 0.48 114.93 117.75 3a8x h MET 332 Ca 0.00 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.48 3a8x h MET 332 Cb 0.64 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.45 3a8x h MET 332 CO 0.00 0.05 0.47 0.74 0.23 0.00 0.00 176.91 178.40 3a8x h PHE 333 N -0.63 0.87 0.05 1.39 0.04 -1.87 -0.98 116.94 115.82 3a8x h PHE 333 Ca -0.03 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.79 3a8x h PHE 333 Cb 0.45 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 38.28 3a8x h PHE 333 CO 0.03 0.47 -0.23 1.25 -0.60 0.00 0.00 178.31 179.23 3a8x h HIS 334 N 0.89 -0.61 -0.30 -0.55 2.76 -1.23 -2.05 115.15 114.05 3a8x h HIS 334 Ca 0.32 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.48 3a8x h HIS 334 Cb 0.10 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 3a8x h HIS 334 CO -0.04 -0.32 0.07 0.52 -1.30 0.00 0.00 177.93 176.85 3a8x h MET 335 N -0.39 0.43 -0.20 5.26 2.86 -0.61 0.16 114.93 122.44 3a8x h MET 335 Ca 0.05 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 3a8x h MET 335 Cb 0.44 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 3a8x h MET 335 CO -0.17 0.41 -0.23 1.96 1.06 0.00 0.00 176.91 179.94 3a8x h GLN 336 N 0.43 0.37 0.01 1.72 4.20 -0.76 0.18 115.11 121.26 3a8x h GLN 336 Ca 0.10 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 3a8x h GLN 336 Cb 0.18 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 3a8x h GLN 336 CO -0.00 0.58 -0.13 -0.09 -0.67 0.00 0.00 178.83 178.51 3a8x h ARG 337 N 0.33 0.02 0.00 1.46 9.65 -1.00 -3.38 114.38 121.47 3a8x h ARG 337 Ca 0.05 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.86 3a8x h ARG 337 Cb 0.59 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.18 3a8x h ARG 337 CO 0.04 1.02 -0.18 1.96 2.80 0.00 0.00 179.97 185.61 3a8x h GLN 338 N -0.95 0.00 0.00 0.20 1.08 -0.67 -3.47 115.11 111.30 3a8x h GLN 338 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3a8x h GLN 338 Cb 1.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 3a8x h GLN 338 CO 0.00 0.12 0.00 0.54 -0.95 0.00 0.00 178.83 178.54 3a8x n ARG 339 N -3.11 0.00 -3.64 1.46 5.12 0.64 -4.69 116.66 112.44 3a8x n ARG 339 Ca 0.03 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.90 3a8x n ARG 339 Cb 0.58 -0.04 -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 0.49 -0.03 5.56 2.20 -1.26 -4.22 119.74 122.48 3a8x s LYS 340 Ca 0.00 0.74 -0.03 0.00 -0.36 0.00 0.00 55.97 56.33 3a8x s LYS 340 Cb 0.00 0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.43 3a8x s LYS 340 CO 0.00 -0.09 0.13 -0.51 -0.36 0.00 0.00 175.35 174.52 3a8x s LEU 341 N 1.01 4.17 0.51 5.43 1.43 -0.35 -5.03 118.68 125.85 3a8x s LEU 341 Ca -0.05 0.29 -0.21 0.00 -1.03 0.00 0.00 54.13 53.12 3a8x s LEU 341 Cb -0.04 -2.36 -0.08 0.00 0.03 0.00 0.00 46.19 43.74 3a8x s LEU 341 CO -0.12 0.30 1.01 -2.65 0.23 0.00 0.00 176.35 175.11 3a8x n PRO 342 N 1.27 1.19 -0.23 1.29 -0.02 -1.26 -4.54 135.00 132.70 3a8x n PRO 342 Ca -0.14 0.44 0.03 0.00 -2.02 0.00 0.00 63.50 61.81 3a8x n PRO 342 Cb 0.53 -2.13 0.15 0.00 -0.02 0.00 0.00 33.50 32.03 3a8x n PRO 342 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3a8x h GLU 343 N 1.08 0.39 -0.92 -0.52 5.08 -1.95 -0.99 114.58 116.75 3a8x h GLU 343 Ca -0.47 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 57.97 3a8x h GLU 343 Cb 1.35 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.44 3a8x h GLU 343 CO 0.54 0.26 0.59 1.49 -1.00 0.00 0.00 179.01 180.89 3a8x h GLU 344 N 0.40 0.87 -0.24 2.33 4.57 -1.99 0.68 114.58 121.20 3a8x h GLU 344 Ca 0.37 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.44 3a8x h GLU 344 Cb 0.52 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3a8x h GLU 344 CO -0.38 0.58 -0.06 0.45 -1.18 0.00 0.00 179.01 178.42 3a8x h HIS 345 N 0.90 0.52 -0.05 0.92 3.86 -1.56 -2.38 115.15 117.36 3a8x h HIS 345 Ca 0.44 -0.11 -0.06 0.00 -1.16 0.00 0.00 60.37 59.47 3a8x h HIS 345 Cb 0.45 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 3a8x h HIS 345 CO -0.00 0.69 -0.25 0.00 0.86 0.00 0.00 177.93 179.23 3a8x h ALA 346 N 0.76 1.49 -0.20 2.45 0.00 -0.94 -2.16 119.26 120.66 3a8x h ALA 346 Ca 0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3a8x h ALA 346 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3a8x h ALA 346 CO 0.02 0.37 0.03 -0.09 0.00 0.00 0.00 179.25 179.58 3a8x h ARG 347 N 0.08 0.33 0.08 0.00 2.43 -0.77 -0.23 114.38 116.30 3a8x h ARG 347 Ca 0.01 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3a8x h ARG 347 Cb 0.49 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 3a8x h ARG 347 CO 0.03 0.50 -0.23 0.35 -1.51 0.00 0.00 179.97 179.11 3a8x h PHE 348 N 0.12 -0.62 -0.24 2.20 3.57 -1.11 0.65 116.94 121.50 3a8x h PHE 348 Ca 0.06 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 3a8x h PHE 348 Cb 0.33 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3a8x h PHE 348 CO 0.02 -0.33 0.15 1.88 -2.23 0.00 0.00 178.31 177.80 3a8x h TYR 349 N -0.41 0.32 -0.78 0.41 0.05 -1.39 -2.30 116.97 112.86 3a8x h TYR 349 Ca 0.04 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.89 3a8x h TYR 349 Cb 0.45 -0.11 -0.06 0.00 1.01 0.00 0.00 36.73 38.02 3a8x h TYR 349 CO -0.23 0.25 0.46 0.77 -1.05 0.00 0.00 178.16 178.35 3a8x h SER 350 N 0.30 0.68 -0.56 3.88 0.02 -0.89 -0.58 113.55 116.41 3a8x h SER 350 Ca 0.09 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 3a8x h SER 350 Cb 0.02 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 3a8x h SER 350 CO -0.02 0.42 0.17 0.00 -1.14 0.00 0.00 176.83 176.26 3a8x h ALA 351 N 1.40 0.73 -0.44 3.77 0.00 -0.69 0.52 119.26 124.56 3a8x h ALA 351 Ca 0.36 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3a8x h ALA 351 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3a8x h ALA 351 CO -0.20 0.40 -0.21 0.93 0.00 0.00 0.00 179.25 180.16 3a8x h GLU 352 N 0.78 0.88 -0.44 0.00 5.08 -1.08 -1.89 114.58 117.91 3a8x h GLU 352 Ca 0.18 -0.36 -0.13 0.00 -1.00 0.00 0.00 59.36 58.05 3a8x h GLU 352 Cb 0.29 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3a8x h GLU 352 CO -0.00 1.00 -0.24 0.82 -1.00 0.00 0.00 179.01 179.59 3a8x h ILE 353 N 0.76 1.27 -0.83 3.13 2.04 -1.03 -1.78 117.51 121.07 3a8x h ILE 353 Ca 0.10 -1.40 0.07 0.00 1.00 0.00 0.00 64.86 64.64 3a8x h ILE 353 Cb 0.75 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 38.00 3a8x h ILE 353 CO 0.06 0.47 0.50 0.28 0.00 0.00 0.00 178.15 179.46 3a8x h SER 354 N 0.76 0.76 -0.50 1.72 0.02 -0.72 0.70 113.55 116.30 3a8x h SER 354 Ca 0.09 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 3a8x h SER 354 Cb 0.81 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 3a8x h SER 354 CO 0.07 0.47 0.10 -0.07 -1.14 0.00 0.00 176.83 176.26 3a8x h LEU 355 N 0.89 0.78 -0.26 5.07 3.38 -1.02 -0.86 115.31 123.28 3a8x h LEU 355 Ca 0.37 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3a8x h LEU 355 Cb 0.23 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3a8x h LEU 355 CO -0.19 0.83 0.16 0.00 0.09 0.00 0.00 178.44 179.32 3a8x h ALA 356 N 0.98 0.34 -0.48 1.53 0.00 -0.76 -1.88 119.26 118.99 3a8x h ALA 356 Ca 0.16 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3a8x h ALA 356 Cb 0.37 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3a8x h ALA 356 CO 0.01 -0.15 0.01 -0.07 0.00 0.00 0.00 179.25 179.05 3a8x h LEU 357 N 0.33 0.81 -0.98 0.00 3.38 -0.77 -1.94 115.31 116.15 3a8x h LEU 357 Ca 0.09 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 3a8x h LEU 357 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3a8x h LEU 357 CO -0.02 0.91 0.11 -1.13 0.09 0.00 0.00 178.44 178.40 3a8x h ASN 358 N 0.69 0.80 -0.22 -0.43 -1.24 -1.11 -0.07 115.58 114.00 3a8x h ASN 358 Ca 0.14 -0.16 -0.05 0.00 0.71 0.00 0.00 56.30 56.94 3a8x h ASN 358 Cb 0.49 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 3a8x h ASN 358 CO 0.02 0.80 -0.06 0.22 -1.29 0.00 0.00 177.43 177.13 3a8x h TYR 359 N 0.81 0.48 -0.13 0.67 3.20 -1.07 0.21 116.97 121.13 3a8x h TYR 359 Ca 0.17 -0.10 0.04 0.00 3.14 0.00 0.00 58.73 61.99 3a8x h TYR 359 Cb 0.33 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.42 3a8x h TYR 359 CO 0.02 0.66 -0.39 -0.07 -1.64 0.00 0.00 178.16 176.74 3a8x h LEU 360 N 0.15 -1.22 -0.92 2.82 4.07 -1.17 -2.30 115.31 116.74 3a8x h LEU 360 Ca 0.05 0.17 0.09 0.00 0.08 0.00 0.00 57.88 58.27 3a8x h LEU 360 Cb 0.51 0.50 -0.07 0.00 1.08 0.00 0.00 40.66 42.68 3a8x h LEU 360 CO 0.02 -0.41 0.56 0.45 -1.08 0.00 0.00 178.44 177.99 3a8x h HIS 361 N -0.46 1.03 0.00 1.13 3.86 -0.78 0.14 115.15 120.06 3a8x h HIS 361 Ca 0.08 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3a8x h HIS 361 Cb 0.60 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.75 3a8x h HIS 361 CO -0.46 0.47 0.00 0.93 0.86 0.00 0.00 177.93 179.73 3a8x h GLU 362 N 0.97 0.00 -0.28 2.45 4.39 -0.57 -1.71 114.58 119.83 3a8x h GLU 362 Ca 0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.12 3a8x h GLU 362 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3a8x h GLU 362 CO -0.22 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.17 3a8x n ARG 363 N -2.71 2.41 -0.50 2.33 5.12 0.36 -4.95 116.66 118.73 3a8x n ARG 363 Ca -0.01 -2.16 0.00 0.00 -1.93 0.00 0.00 57.85 53.75 3a8x n ARG 363 Cb 0.15 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 3a8x n ARG 363 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a8x n GLY 364 N 1.42 0.70 3.31 -0.13 0.00 -0.64 -4.63 105.19 105.22 3a8x n GLY 364 Ca 0.17 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 2.86 -0.15 -0.61 1.01 -0.53 -1.49 121.20 120.28 3a8x s ILE 365 Ca 0.00 -0.71 -0.16 0.00 0.00 0.00 0.00 60.65 59.78 3a8x s ILE 365 Cb 0.00 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 3a8x s ILE 365 CO 0.00 0.51 0.39 -0.63 0.00 0.00 0.00 174.94 175.21 3a8x s ILE 366 N 0.68 5.24 -0.03 2.92 1.01 0.77 -3.06 121.20 128.72 3a8x s ILE 366 Ca -0.07 0.74 -0.20 0.00 0.00 0.00 0.00 60.65 61.12 3a8x s ILE 366 Cb -0.16 -3.72 -0.13 0.00 0.01 0.00 0.00 42.46 38.46 3a8x s ILE 366 CO 0.02 0.34 0.85 0.22 0.00 0.00 0.00 174.94 176.37 3a8x h TYR 367 N 6.81 -0.39 0.00 3.97 3.20 -1.91 0.88 116.97 129.53 3a8x h TYR 367 Ca -0.40 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.46 3a8x h TYR 367 Cb 1.17 0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.57 3a8x h TYR 367 CO 0.62 -0.07 0.00 0.54 -1.64 0.00 0.00 178.16 177.61 3a8x n ARG 368 N -5.07 0.00 -2.36 1.82 1.74 -1.26 -3.45 116.66 108.08 3a8x n ARG 368 Ca -0.08 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.96 3a8x n ARG 368 Cb 0.25 -2.71 0.05 0.00 -1.02 0.00 0.00 32.46 29.03 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 2.25 -4.66 0.55 2.03 -1.26 -4.47 116.55 110.99 3a8x n ASP 369 Ca 0.00 -2.50 -0.43 0.00 0.52 0.00 0.00 54.79 52.38 3a8x n ASP 369 Cb 0.00 -0.43 -0.02 0.00 -0.72 0.00 0.00 41.12 39.95 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 -3.21 4.17 0.20 -2.67 2.96 -1.26 -4.81 118.68 114.05 3a8x s LEU 370 Ca 0.34 1.77 -0.22 0.00 -0.22 0.00 0.00 54.13 55.79 3a8x s LEU 370 Cb 0.35 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.56 3a8x s LEU 370 CO -0.04 -0.86 0.63 -1.59 -1.32 0.00 0.00 176.35 173.17 3a8x s LYS 371 N 3.77 1.44 0.25 1.98 -2.85 -1.26 -4.89 119.74 118.17 3a8x s LYS 371 Ca 0.60 -0.64 -0.03 0.00 -1.00 0.00 0.00 55.97 54.90 3a8x s LYS 371 Cb -0.24 0.59 0.45 0.00 -2.06 0.00 0.00 37.83 36.57 3a8x s LYS 371 CO 0.20 -0.64 1.77 -0.07 0.10 0.00 0.00 175.35 176.71 3a8x h LEU 372 N 2.01 0.52 -0.04 2.77 3.38 -1.94 -1.35 115.31 120.66 3a8x h LEU 372 Ca -0.29 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3a8x h LEU 372 Cb 1.29 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3a8x h LEU 372 CO 0.33 0.26 -0.01 -0.90 0.09 0.00 0.00 178.44 178.21 3a8x n ASP 373 N -4.85 0.07 -0.68 -0.43 5.68 -1.26 -2.59 116.55 112.49 3a8x n ASP 373 Ca 0.14 -0.45 0.13 0.00 -0.50 0.00 0.00 54.79 54.12 3a8x n ASP 373 Cb 0.36 -0.18 0.35 0.00 -1.14 0.00 0.00 41.12 40.51 3a8x n ASP 373 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3a8x n ASN 374 N -1.15 2.13 -4.27 -1.12 3.02 -0.52 -4.71 115.26 108.64 3a8x n ASN 374 Ca 0.17 -1.71 -0.42 0.00 -0.03 0.00 0.00 54.58 52.59 3a8x n ASN 374 Cb 0.21 -0.02 -0.09 0.00 -0.61 0.00 0.00 39.78 39.28 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 -1.97 4.44 0.43 2.41 1.01 -1.07 -1.58 120.40 124.07 3a8x s VAL 375 Ca 0.34 -1.52 -0.15 0.00 0.00 0.00 0.00 61.98 60.65 3a8x s VAL 375 Cb 0.20 -3.80 -0.08 0.00 0.00 0.00 0.00 36.38 32.70 3a8x s VAL 375 CO 0.32 -0.66 0.86 -0.76 0.00 0.00 0.00 175.10 174.86 3a8x s LEU 376 N 1.44 3.83 -0.15 3.92 1.43 -0.18 -1.04 118.68 127.93 3a8x s LEU 376 Ca 0.04 1.39 -0.08 0.00 -1.03 0.00 0.00 54.13 54.46 3a8x s LEU 376 Cb -0.25 -4.27 -0.04 0.00 0.03 0.00 0.00 46.19 41.66 3a8x s LEU 376 CO 0.02 -0.41 0.11 -0.76 0.23 0.00 0.00 176.35 175.54 3a8x s LEU 377 N -3.63 4.17 0.90 1.79 1.43 0.33 -0.45 118.68 123.21 3a8x s LEU 377 Ca 0.56 0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 53.85 3a8x s LEU 377 Cb -0.10 -2.04 0.18 0.00 0.03 0.00 0.00 46.19 44.26 3a8x s LEU 377 CO 0.25 0.30 1.23 1.51 0.23 0.00 0.00 176.35 179.88 3a8x s ASP 378 N -0.37 3.46 0.58 2.29 1.47 0.14 0.07 116.67 124.32 3a8x s ASP 378 Ca 0.11 0.10 0.38 0.00 1.18 0.00 0.00 52.55 54.32 3a8x s ASP 378 Cb -0.12 -0.24 1.85 0.00 -0.34 0.00 0.00 42.92 44.07 3a8x s ASP 378 CO 0.01 -2.49 2.14 0.77 0.68 0.00 0.00 175.17 176.28 3a8x h SER 379 N -1.34 0.00 0.52 2.11 4.64 -1.88 -1.81 113.55 115.79 3a8x h SER 379 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3a8x h SER 379 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3a8x h SER 379 CO 0.39 0.00 -1.26 -0.62 -0.87 0.00 0.00 176.83 174.47 3a8x n GLU 380 N -3.01 0.49 0.00 4.77 -0.58 -1.26 -4.04 120.64 117.01 3a8x n GLU 380 Ca -0.01 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 3a8x n GLU 380 Cb 0.18 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 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 1.28 0.90 3.83 0.62 0.00 -0.68 -4.55 105.19 106.58 3a8x n GLY 381 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 3.26 0.39 1.61 3.76 -1.26 -4.81 115.29 116.24 3a8x s HIS 382 Ca 0.00 1.49 -0.08 0.00 -0.15 0.00 0.00 55.06 56.32 3a8x s HIS 382 Cb 0.00 -2.88 -0.06 0.00 1.11 0.00 0.00 32.58 30.75 3a8x s HIS 382 CO 0.00 -0.65 0.71 0.96 -0.85 0.00 0.00 174.74 174.91 3a8x s ILE 383 N -2.53 4.87 -0.04 0.60 -5.25 -1.26 -0.68 121.20 116.91 3a8x s ILE 383 Ca 0.61 0.40 -0.02 0.00 -0.99 0.00 0.00 60.65 60.65 3a8x s ILE 383 Cb -0.12 -3.76 0.03 0.00 2.95 0.00 0.00 42.46 41.56 3a8x s ILE 383 CO 0.32 -0.52 0.06 -0.54 -1.79 0.00 0.00 174.94 172.48 3a8x s LYS 384 N -3.92 -0.05 0.30 0.37 1.02 0.40 -4.40 119.74 113.45 3a8x s LYS 384 Ca 0.49 0.33 -0.29 0.00 0.02 0.00 0.00 55.97 56.52 3a8x s LYS 384 Cb -0.10 -0.39 -0.10 0.00 -0.52 0.00 0.00 37.83 36.72 3a8x s LYS 384 CO 0.33 -0.27 1.24 -0.51 -0.92 0.00 0.00 175.35 175.22 3a8x s LEU 385 N 1.78 4.47 0.28 3.17 1.02 -0.14 -1.01 118.68 128.24 3a8x s LEU 385 Ca -0.00 2.51 0.02 0.00 0.02 0.00 0.00 54.13 56.68 3a8x s LEU 385 Cb -0.12 -3.64 -0.05 0.00 0.02 0.00 0.00 46.19 42.40 3a8x s LEU 385 CO -0.03 -0.41 0.10 0.28 0.02 0.00 0.00 176.35 176.31 3a8x s THR 386 N -0.97 0.61 -0.26 5.49 -1.32 -0.61 -2.42 115.64 116.16 3a8x s THR 386 Ca 0.49 -2.00 -0.06 0.00 -1.21 0.00 0.00 61.69 58.91 3a8x s THR 386 Cb -0.37 -2.62 0.01 0.00 -1.51 0.00 0.00 72.50 68.01 3a8x s THR 386 CO 0.47 0.00 0.22 -0.67 -2.21 0.00 0.00 174.62 172.43 3a8x n ASP 387 N -0.62 -6.16 -1.12 8.08 -0.08 -1.26 -4.90 116.55 110.49 3a8x n ASP 387 Ca -0.00 0.67 0.08 0.00 -1.51 0.00 0.00 54.79 54.03 3a8x n ASP 387 Cb 0.66 -4.03 0.25 0.00 2.34 0.00 0.00 41.12 40.34 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 0.04 0.91 0.28 -0.67 0.53 -1.26 -4.42 117.16 112.57 3a8x n TYR 388 Ca 0.04 -0.40 0.17 0.00 -1.02 0.00 0.00 57.90 56.69 3a8x n TYR 388 Cb 0.17 -0.09 0.83 0.00 -1.03 0.00 0.00 39.34 39.22 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 4.69 0.00 -1.20 2.72 0.00 -1.92 -1.77 103.07 105.59 3a8x h GLY 389 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a8x h GLY 389 CO 0.08 0.00 -0.38 -0.13 0.00 0.00 0.00 176.54 176.11 3a8x n MET 390 N -2.70 1.45 -1.47 4.80 0.00 -1.26 -4.98 117.12 112.97 3a8x n MET 390 Ca -0.01 -1.20 -0.35 0.00 -0.00 0.00 0.00 57.70 56.14 3a8x n MET 390 Cb 0.12 -1.47 0.09 0.00 0.00 0.00 0.00 33.22 31.96 3a8x n MET 390 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3a8x s LYS 392 N -3.80 3.71 0.36 0.00 2.47 0.30 -4.97 119.74 117.82 3a8x s LYS 392 Ca 0.76 -0.46 0.08 0.00 -1.56 0.00 0.00 55.97 54.80 3a8x s LYS 392 Cb -0.31 -2.99 -0.06 0.00 -1.46 0.00 0.00 37.83 33.01 3a8x s LYS 392 CO 0.44 0.29 0.02 -1.83 0.16 0.00 0.00 175.35 174.43 3a8x s GLU 393 N 0.27 2.03 0.00 4.03 4.04 -1.26 -0.17 118.70 127.64 3a8x s GLU 393 Ca -0.01 -1.86 0.00 0.00 0.04 0.00 0.00 54.97 53.14 3a8x s GLU 393 Cb -0.13 -1.84 0.00 0.00 0.02 0.00 0.00 34.13 32.17 3a8x s GLU 393 CO 0.02 0.07 0.00 0.41 -1.84 0.00 0.00 175.26 173.92 3a8x n GLY 394 N -0.97 0.69 3.70 -3.83 0.00 -0.93 -4.94 105.19 98.90 3a8x n GLY 394 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 4.29 0.43 0.99 2.96 -0.56 -5.03 118.68 121.76 3a8x s LEU 395 Ca 0.00 1.34 -0.23 0.00 -0.22 0.00 0.00 54.13 55.01 3a8x s LEU 395 Cb 0.00 -3.29 -0.08 0.00 0.50 0.00 0.00 46.19 43.32 3a8x s LEU 395 CO 0.00 -0.25 1.09 -0.13 -1.32 0.00 0.00 176.35 175.74 3a8x s ARG 396 N 1.29 4.00 0.14 1.98 0.52 -1.26 -4.16 118.95 121.47 3a8x s ARG 396 Ca 0.42 1.59 -0.34 0.00 -0.52 0.00 0.00 55.73 56.88 3a8x s ARG 396 Cb -0.18 -2.46 -0.15 0.00 0.52 0.00 0.00 34.95 32.68 3a8x s ARG 396 CO 0.19 -0.31 1.49 -2.30 0.02 0.00 0.00 175.30 174.40 3a8x n PRO 397 N -0.28 1.84 -0.84 3.54 -0.02 -1.26 -0.77 135.00 137.21 3a8x n PRO 397 Ca 0.06 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3a8x n PRO 397 Cb 0.49 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3a8x n PRO 397 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a8x n GLY 398 N 3.05 1.09 3.90 -1.23 0.00 -1.26 -5.03 105.19 105.71 3a8x n GLY 398 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3a8x n GLY 398 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a8x s ASP 399 N -3.06 5.87 0.26 1.61 1.11 0.05 -5.09 116.67 117.43 3a8x s ASP 399 Ca 0.00 0.96 0.02 0.00 0.18 0.00 0.00 52.55 53.71 3a8x s ASP 399 Cb 0.00 -2.03 -0.05 0.00 1.07 0.00 0.00 42.92 41.91 3a8x s ASP 399 CO 0.00 -0.93 0.09 0.42 1.18 0.00 0.00 175.17 175.93 3a8x s THR 400 N -3.01 0.64 0.32 -1.27 -4.23 -1.26 -4.65 115.64 102.17 3a8x s THR 400 Ca 0.53 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 3a8x s THR 400 Cb -0.11 -2.64 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 3a8x s THR 400 CO 0.48 -0.01 0.29 0.28 -0.54 0.00 0.00 174.62 175.12 3a8x s THR 401 N -3.70 0.00 -0.20 3.99 -1.32 -0.25 -4.88 115.64 109.29 3a8x s THR 401 Ca 0.37 -1.93 -0.04 0.00 -1.21 0.00 0.00 61.69 58.89 3a8x s THR 401 Cb 0.08 -2.52 0.09 0.00 -1.51 0.00 0.00 72.50 68.63 3a8x s THR 401 CO 0.14 0.00 0.19 -0.94 -2.21 0.00 0.00 174.62 171.80 3a8x s SER 402 N -3.32 1.67 -0.03 8.08 1.04 -1.26 -0.67 113.70 119.21 3a8x s SER 402 Ca 0.39 -0.36 -0.01 0.00 0.48 0.00 0.00 55.95 56.45 3a8x s SER 402 Cb 0.02 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.39 3a8x s SER 402 CO 0.24 -0.34 0.05 0.12 0.98 0.00 0.00 173.24 174.30 3a8x s PHE 404 N 2.28 -0.01 -0.30 5.02 5.36 -1.26 -4.98 117.98 124.08 3a8x s PHE 404 Ca 0.06 0.19 -0.16 0.00 -0.96 0.00 0.00 56.93 56.05 3a8x s PHE 404 Cb -0.16 -0.18 0.17 0.00 -0.34 0.00 0.00 43.02 42.51 3a8x s PHE 404 CO -0.13 -0.10 1.08 0.00 -1.46 0.00 0.00 175.22 174.62 3a8x n GLY 406 N 4.40 0.80 3.67 0.00 0.00 -1.26 -4.91 105.19 107.89 3a8x n GLY 406 Ca -0.11 -2.02 -0.36 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.71 5.35 0.22 2.61 2.01 -1.26 -5.01 115.64 117.84 3a8x s THR 407 Ca 0.00 0.18 -0.14 0.00 0.31 0.00 0.00 61.69 62.04 3a8x s THR 407 Cb 0.00 -3.49 0.25 0.00 0.01 0.00 0.00 72.50 69.27 3a8x s THR 407 CO 0.00 0.36 1.61 -0.65 -0.69 0.00 0.00 174.62 175.25 3a8x h PRO 408 N 7.38 -0.02 -0.22 4.92 0.11 -1.97 0.29 132.00 142.48 3a8x h PRO 408 Ca -0.38 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.79 3a8x h PRO 408 Cb 1.17 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3a8x h PRO 408 CO 0.67 -0.02 0.27 -0.97 -0.21 0.00 0.00 178.00 177.74 3a8x h ASN 409 N -0.02 0.00 -0.01 -2.05 -1.24 -1.99 -2.45 115.58 107.83 3a8x h ASN 409 Ca 0.32 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.33 3a8x h ASN 409 Cb 0.51 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.56 3a8x h ASN 409 CO -0.70 0.00 -0.46 -1.22 -1.29 0.00 0.00 177.43 173.76 3a8x n TYR 410 N -3.70 0.00 -2.20 0.67 4.02 0.96 -5.01 117.16 111.91 3a8x n TYR 410 Ca 0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.50 3a8x n TYR 410 Cb 0.39 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.69 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 -2.04 3.14 0.24 -0.72 1.01 -0.92 -4.44 121.20 117.47 3a8x s ILE 411 Ca 0.10 0.95 -0.22 0.00 0.00 0.00 0.00 60.65 61.47 3a8x s ILE 411 Cb 0.12 -3.61 -0.09 0.00 0.01 0.00 0.00 42.46 38.90 3a8x s ILE 411 CO 0.47 0.15 0.79 0.00 0.00 0.00 0.00 174.94 176.35 3a8x s ALA 412 N 0.03 3.37 0.32 9.38 0.00 -1.26 -4.92 121.76 128.67 3a8x s ALA 412 Ca 0.56 0.30 0.04 0.00 0.00 0.00 0.00 51.96 52.86 3a8x s ALA 412 Cb -0.37 -2.94 0.64 0.00 0.00 0.00 0.00 23.12 20.45 3a8x s ALA 412 CO 0.39 0.28 1.88 -1.00 0.00 0.00 0.00 175.76 177.32 3a8x h PRO 413 N 3.53 0.87 -0.65 0.00 0.13 -1.90 0.26 132.00 134.24 3a8x h PRO 413 Ca -0.47 -0.05 0.13 0.00 -0.87 0.00 0.00 66.00 64.73 3a8x h PRO 413 Cb 1.20 -0.20 -0.12 0.00 0.13 0.00 0.00 31.00 32.01 3a8x h PRO 413 CO 0.65 0.58 -0.20 0.93 -0.23 0.00 0.00 178.00 179.73 3a8x h GLU 414 N 0.90 -0.04 -0.90 0.86 3.07 -1.93 0.16 114.58 116.70 3a8x h GLU 414 Ca 0.43 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.30 3a8x h GLU 414 Cb 0.44 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.31 3a8x h GLU 414 CO -0.19 -0.02 0.60 0.82 -1.40 0.00 0.00 179.01 178.81 3a8x h ILE 415 N -0.04 1.23 0.00 3.13 2.04 -1.20 -1.68 117.51 120.99 3a8x h ILE 415 Ca 0.30 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3a8x h ILE 415 Cb 0.50 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3a8x h ILE 415 CO -0.68 0.22 -0.12 -0.07 0.00 0.00 0.00 178.15 177.50 3a8x h LEU 416 N 1.22 0.00 -1.26 1.44 3.38 -0.57 -2.36 115.31 117.16 3a8x h LEU 416 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3a8x h LEU 416 Cb -0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3a8x h LEU 416 CO -0.07 0.12 0.00 0.54 0.09 0.00 0.00 178.44 179.11 3a8x n ARG 417 N -3.27 1.84 -1.00 1.13 1.74 0.29 -4.93 116.66 112.46 3a8x n ARG 417 Ca 0.00 -1.25 -0.00 0.00 -0.77 0.00 0.00 57.85 55.83 3a8x n ARG 417 Cb 0.36 -1.45 -0.00 0.00 -1.02 0.00 0.00 32.46 30.35 3a8x n ARG 417 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a8x n GLY 418 N 1.21 0.47 3.84 -0.13 0.00 -0.89 -5.02 105.19 104.67 3a8x n GLY 418 Ca 0.17 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3a8x n GLY 418 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a8x s GLU 419 N -0.37 4.03 0.38 1.61 2.02 -0.69 -5.02 118.70 120.66 3a8x s GLU 419 Ca 0.00 0.96 -0.26 0.00 0.02 0.00 0.00 54.97 55.69 3a8x s GLU 419 Cb 0.00 -2.18 -0.09 0.00 0.10 0.00 0.00 34.13 31.96 3a8x s GLU 419 CO 0.00 -0.16 1.24 -0.51 0.02 0.00 0.00 175.26 175.85 3a8x s ASP 420 N -2.74 6.51 0.04 -0.19 1.01 -1.26 -4.59 116.67 115.45 3a8x s ASP 420 Ca 0.59 2.52 -0.03 0.00 0.71 0.00 0.00 52.55 56.34 3a8x s ASP 420 Cb -0.10 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.18 3a8x s ASP 420 CO 0.25 -0.70 0.03 -0.72 0.21 0.00 0.00 175.17 174.24 3a8x s TYR 421 N -1.29 0.31 0.00 4.23 -0.85 0.15 -4.89 117.35 115.01 3a8x s TYR 421 Ca 0.55 -0.67 0.00 0.00 -0.52 0.00 0.00 57.07 56.43 3a8x s TYR 421 Cb -0.35 -0.22 0.00 0.00 0.38 0.00 0.00 41.96 41.77 3a8x s TYR 421 CO 0.45 -0.33 0.00 0.41 -1.52 0.00 0.00 175.55 174.56 3a8x n GLY 422 N 0.78 4.64 0.09 5.49 0.00 -1.26 -1.09 105.19 113.84 3a8x n GLY 422 Ca -0.19 -1.76 0.07 0.00 0.00 0.00 0.00 46.02 44.14 3a8x n GLY 422 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3a8x n PHE 423 N 0.00 0.43 -0.13 1.61 0.99 -1.26 -3.14 117.46 115.95 3a8x n PHE 423 Ca 0.00 0.22 0.17 0.00 -0.00 0.00 0.00 57.45 57.84 3a8x n PHE 423 Cb 0.00 -0.85 0.55 0.00 -1.00 0.00 0.00 39.48 38.19 3a8x n PHE 423 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3a8x h SER 424 N 0.00 0.29 0.46 4.37 4.64 -1.93 -2.26 113.55 119.12 3a8x h SER 424 Ca 0.00 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 3a8x h SER 424 Cb 0.04 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3a8x h SER 424 CO 0.00 0.15 -0.38 -0.37 -0.87 0.00 0.00 176.83 175.36 3a8x h VAL 425 N 0.31 1.18 -0.44 0.95 -1.51 -1.96 -2.31 116.25 112.47 3a8x h VAL 425 Ca 0.35 -1.34 -0.08 0.00 -1.23 0.00 0.00 66.70 64.41 3a8x h VAL 425 Cb 0.94 1.74 -0.02 0.00 -2.13 0.00 0.00 31.29 31.82 3a8x h VAL 425 CO -0.09 0.37 -0.02 0.44 -1.23 0.00 0.00 177.57 177.04 3a8x h ASP 426 N 0.00 0.79 0.14 4.19 3.32 -1.68 -2.32 116.42 120.85 3a8x h ASP 426 Ca -0.00 -0.32 -0.11 0.00 0.02 0.00 0.00 57.03 56.62 3a8x h ASP 426 Cb 0.71 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3a8x h ASP 426 CO 0.05 0.92 -0.39 -0.50 -1.72 0.00 0.00 179.24 177.59 3a8x h TRP 427 N 0.64 0.40 -0.28 4.55 4.06 -1.50 -0.30 115.95 123.51 3a8x h TRP 427 Ca 0.12 -0.11 0.00 0.00 2.06 0.00 0.00 58.89 60.97 3a8x h TRP 427 Cb 0.53 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.58 3a8x h TRP 427 CO 0.04 0.69 0.18 2.35 -3.56 0.00 0.00 178.44 178.14 3a8x h TRP 428 N 0.29 0.36 -0.67 0.49 2.91 -1.39 -1.99 115.95 115.95 3a8x h TRP 428 Ca 0.03 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.05 3a8x h TRP 428 Cb 0.82 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 29.32 3a8x h TRP 428 CO 0.02 0.24 0.41 0.00 -1.03 0.00 0.00 178.44 178.08 3a8x h ALA 429 N 1.09 1.47 -0.78 2.65 0.00 -0.82 -0.70 119.26 122.18 3a8x h ALA 429 Ca 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3a8x h ALA 429 Cb -0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 3a8x h ALA 429 CO -0.02 0.47 0.40 1.25 0.00 0.00 0.00 179.25 181.35 3a8x h LEU 430 N 0.91 1.00 -0.55 0.00 5.85 -0.82 -1.23 115.31 120.46 3a8x h LEU 430 Ca 0.24 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3a8x h LEU 430 Cb -0.06 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 3a8x h LEU 430 CO -0.05 0.83 0.30 1.23 -0.34 0.00 0.00 178.44 180.41 3a8x h GLY 431 N 1.09 0.79 0.96 3.75 0.00 -0.39 0.24 103.07 109.50 3a8x h GLY 431 Ca 0.27 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 3a8x h GLY 431 CO -0.04 0.15 0.13 -2.08 0.00 0.00 0.00 176.54 174.69 3a8x h VAL 432 N 0.58 1.23 -0.67 4.60 2.07 -1.04 -0.85 116.25 122.18 3a8x h VAL 432 Ca 0.24 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 3a8x h VAL 432 Cb 0.12 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3a8x h VAL 432 CO -0.15 0.28 0.14 0.25 0.02 0.00 0.00 177.57 178.11 3a8x h LEU 433 N 0.62 1.03 -0.42 2.57 6.46 -0.73 0.55 115.31 125.38 3a8x h LEU 433 Ca 0.15 -0.25 -0.05 0.00 -0.12 0.00 0.00 57.88 57.61 3a8x h LEU 433 Cb 0.30 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 3a8x h LEU 433 CO -0.00 1.01 0.08 0.24 -0.62 0.00 0.00 178.44 179.15 3a8x h MET 434 N 1.01 0.69 -0.51 1.25 2.86 -0.39 -0.26 114.93 119.58 3a8x h MET 434 Ca 0.21 -0.18 0.05 0.00 -2.06 0.00 0.00 59.70 57.71 3a8x h MET 434 Cb 0.40 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 3a8x h MET 434 CO 0.01 0.72 0.24 0.35 1.06 0.00 0.00 176.91 179.29 3a8x h PHE 435 N 0.55 0.44 -0.53 -0.22 3.57 -0.81 -1.80 116.94 118.15 3a8x h PHE 435 Ca 0.13 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.69 3a8x h PHE 435 Cb 0.36 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 3a8x h PHE 435 CO 0.02 0.20 0.30 0.93 -2.23 0.00 0.00 178.31 177.54 3a8x h GLU 436 N 0.47 0.57 -0.78 1.11 5.08 -0.57 0.88 114.58 121.35 3a8x h GLU 436 Ca 0.23 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3a8x h GLU 436 Cb 0.16 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3a8x h GLU 436 CO -0.18 0.38 0.34 0.52 -1.00 0.00 0.00 179.01 179.07 3a8x h MET 437 N 0.59 1.15 0.00 2.33 2.86 -0.77 0.17 114.93 121.26 3a8x h MET 437 Ca 0.22 -0.19 -0.25 0.00 -2.06 0.00 0.00 59.70 57.42 3a8x h MET 437 Cb 0.08 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 3a8x h MET 437 CO -0.13 0.92 -1.62 -1.33 1.06 0.00 0.00 176.91 175.81 3a8x n MET 438 N -4.33 0.63 0.01 1.72 2.81 -0.70 -1.21 117.12 116.05 3a8x n MET 438 Ca 0.07 0.28 0.02 0.00 -1.81 0.00 0.00 57.70 56.26 3a8x n MET 438 Cb 0.16 -1.80 -0.10 0.00 -0.71 0.00 0.00 33.22 30.78 3a8x n MET 438 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3a8x n ALA 439 N -2.51 2.13 -1.28 3.04 0.00 0.27 -4.61 120.51 117.56 3a8x n ALA 439 Ca -0.15 -0.62 -0.10 0.00 0.00 0.00 0.00 53.44 52.58 3a8x n ALA 439 Cb 0.99 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 19.58 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 1.39 1.10 3.42 0.00 0.00 0.60 -4.94 105.19 106.76 3a8x n GLY 440 Ca -0.11 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.69 1.26 0.39 1.61 1.70 -1.24 -4.94 118.95 115.05 3a8x s ARG 441 Ca 0.00 -1.08 -0.25 0.00 -0.47 0.00 0.00 55.73 53.93 3a8x s ARG 441 Cb 0.00 0.43 -0.09 0.00 -0.57 0.00 0.00 34.95 34.73 3a8x s ARG 441 CO 0.00 -0.49 1.12 0.45 -1.08 0.00 0.00 175.30 175.30 3a8x s SER 442 N -2.94 6.64 0.00 -2.89 0.15 -1.26 -3.84 113.70 109.56 3a8x s SER 442 Ca 0.15 2.23 0.10 0.00 0.70 0.00 0.00 55.95 59.13 3a8x s SER 442 Cb 0.02 -2.60 0.42 0.00 -1.71 0.00 0.00 66.02 62.14 3a8x s SER 442 CO -0.00 -0.59 1.31 -0.81 1.20 0.00 0.00 173.24 174.36 3a8x n PRO 443 N 0.09 0.00 -0.45 5.44 -0.04 -1.26 -2.51 135.00 136.26 3a8x n PRO 443 Ca 0.04 0.33 0.08 0.00 -0.04 0.00 0.00 63.50 63.91 3a8x n PRO 443 Cb 0.47 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.50 0.93 1.94 0.54 0.99 -1.26 -4.72 117.46 114.38 3a8x n PHE 444 Ca 0.02 -0.90 0.14 0.00 -0.00 0.00 0.00 57.45 56.71 3a8x n PHE 444 Cb 0.12 -0.32 0.78 0.00 -1.00 0.00 0.00 39.48 39.05 3a8x n PHE 444 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 3a8x n ASP 445 N -0.56 0.16 0.06 4.37 5.75 -1.05 -2.50 116.55 122.78 3a8x n ASP 445 Ca 0.22 -1.19 0.18 0.00 -0.01 0.00 0.00 54.79 53.98 3a8x n ASP 445 Cb 0.89 -0.00 0.68 0.00 -1.03 0.00 0.00 41.12 41.66 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 0.23 0.79 -2.15 2.12 6.09 -1.86 -3.40 117.51 119.32 3a8x h ILE 446 Ca 0.00 0.00 -0.52 0.00 -1.37 0.00 0.00 64.86 62.97 3a8x h ILE 446 Cb 0.05 0.79 -0.03 0.00 0.47 0.00 0.00 36.82 38.10 3a8x h ILE 446 CO 0.00 0.00 1.34 0.68 -3.07 0.00 0.00 178.15 177.10 3a8x s VAL 447 N -5.02 3.39 0.00 2.19 -7.23 -1.04 -1.57 120.40 111.11 3a8x s VAL 447 Ca -0.05 0.28 0.00 0.00 -1.81 0.00 0.00 61.98 60.40 3a8x s VAL 447 Cb 0.19 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 33.28 3a8x s VAL 447 CO 0.72 -0.77 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 3a8x n GLY 448 N 5.63 1.08 0.00 2.32 0.00 -1.26 -5.08 105.19 107.88 3a8x n GLY 448 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 3a8x n GLY 448 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3a8x n SER 449 N 0.00 0.00 -0.12 1.61 7.64 -0.61 -5.24 113.62 116.90 3a8x n SER 449 Ca 0.00 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.59 3a8x n SER 449 Cb 0.00 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 3a8x n SER 449 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3a8x n THR 457 N -1.17 0.00 0.25 0.44 -2.24 -1.26 -5.18 114.28 105.13 3a8x n THR 457 Ca 0.13 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 62.06 3a8x n THR 457 Cb 0.13 -0.39 0.81 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.00 0.00 0.00 -0.78 4.81 -2.02 0.14 114.58 116.73 3a8x h GLU 458 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3a8x h GLU 458 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3a8x h GLU 458 CO 0.00 0.00 -0.34 -0.44 -0.73 0.00 0.00 179.01 177.50 3a8x h ASP 459 N 0.00 0.00 0.19 1.04 5.19 -2.04 -3.05 116.42 117.75 3a8x h ASP 459 Ca 0.00 -0.03 -0.29 0.00 -0.62 0.00 0.00 57.03 56.09 3a8x h ASP 459 Cb 0.06 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.60 3a8x h ASP 459 CO 0.00 0.01 -1.23 0.22 -3.12 0.00 0.00 179.24 175.12 3a8x h TYR 460 N 0.00 0.94 -0.66 4.55 5.03 -1.23 -2.61 116.97 122.99 3a8x h TYR 460 Ca 0.00 -0.60 0.13 0.00 2.58 0.00 0.00 58.73 60.84 3a8x h TYR 460 Cb 0.92 -0.07 -0.13 0.00 1.55 0.00 0.00 36.73 39.00 3a8x h TYR 460 CO 0.00 1.44 -0.24 1.25 -1.32 0.00 0.00 178.16 179.29 3a8x h LEU 461 N 0.25 -0.86 -0.90 2.82 5.85 -1.24 0.20 115.31 121.44 3a8x h LEU 461 Ca -0.18 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3a8x h LEU 461 Cb 1.91 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 43.39 3a8x h LEU 461 CO 0.23 -0.26 0.51 -0.26 -0.34 0.00 0.00 178.44 178.32 3a8x h PHE 462 N -0.06 1.22 -0.69 1.25 0.04 -1.52 0.06 116.94 117.23 3a8x h PHE 462 Ca 0.30 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 61.02 3a8x h PHE 462 Cb 0.53 -0.39 -0.03 0.00 2.20 0.00 0.00 35.95 38.25 3a8x h PHE 462 CO -0.60 0.83 0.32 0.37 -0.60 0.00 0.00 178.31 178.63 3a8x h GLN 463 N 1.26 1.01 -0.41 1.51 4.15 -0.95 -0.20 115.11 121.47 3a8x h GLN 463 Ca 0.32 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 3a8x h GLN 463 Cb -0.00 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 3a8x h GLN 463 CO -0.05 0.81 0.21 0.28 -1.93 0.00 0.00 178.83 178.15 3a8x h VAL 464 N 0.97 1.16 -0.58 2.39 2.07 -0.08 0.40 116.25 122.57 3a8x h VAL 464 Ca 0.24 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3a8x h VAL 464 Cb 0.15 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3a8x h VAL 464 CO -0.03 0.18 0.24 0.40 0.02 0.00 0.00 177.57 178.38 3a8x h ILE 465 N 0.53 1.22 -0.39 4.57 2.04 -0.69 0.34 117.51 125.15 3a8x h ILE 465 Ca 0.14 -0.69 -0.16 0.00 1.00 0.00 0.00 64.86 65.16 3a8x h ILE 465 Cb 0.09 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3a8x h ILE 465 CO -0.02 0.27 -0.37 -0.07 0.00 0.00 0.00 178.15 177.96 3a8x h LEU 466 N 0.81 0.99 0.00 1.44 3.38 -0.87 -3.41 115.31 117.65 3a8x h LEU 466 Ca 0.20 -0.46 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 3a8x h LEU 466 Cb 0.19 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3a8x h LEU 466 CO -0.02 1.25 -1.42 -0.62 0.09 0.00 0.00 178.44 177.72 3a8x n GLU 467 N -4.08 1.99 -3.47 1.13 1.02 0.14 -5.01 120.64 112.36 3a8x n GLU 467 Ca -0.02 -0.02 -0.38 0.00 -0.02 0.00 0.00 57.16 56.72 3a8x n GLU 467 Cb 0.54 -1.17 -0.06 0.00 -0.02 0.00 0.00 31.44 30.72 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 -2.28 4.06 0.01 3.49 2.20 0.10 -5.03 119.74 122.30 3a8x s LYS 468 Ca -0.03 0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 55.64 3a8x s LYS 468 Cb 0.03 -3.30 -0.05 0.00 -1.51 0.00 0.00 37.83 32.99 3a8x s LYS 468 CO 0.28 0.50 1.31 -1.14 -0.36 0.00 0.00 175.35 175.94 3a8x s GLN 469 N -0.43 4.33 0.17 4.03 0.74 -1.26 -4.82 119.66 122.42 3a8x s GLN 469 Ca 0.23 1.88 -0.30 0.00 0.05 0.00 0.00 55.36 57.21 3a8x s GLN 469 Cb -0.16 -3.48 -0.08 0.00 1.10 0.00 0.00 33.01 30.39 3a8x s GLN 469 CO 0.11 -0.47 1.20 0.42 -0.55 0.00 0.00 175.29 176.00 3a8x s ILE 470 N 1.92 3.64 -0.24 -2.34 1.01 -1.26 -5.02 121.20 118.91 3a8x s ILE 470 Ca 0.61 1.35 -0.09 0.00 0.00 0.00 0.00 60.65 62.52 3a8x s ILE 470 Cb -0.30 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 3a8x s ILE 470 CO 0.26 0.20 0.11 -0.13 0.00 0.00 0.00 174.94 175.39 3a8x s ARG 471 N -0.04 3.87 -0.10 2.79 0.52 -1.26 -5.08 118.95 119.64 3a8x s ARG 471 Ca 0.54 -0.37 -0.28 0.00 -0.52 0.00 0.00 55.73 55.09 3a8x s ARG 471 Cb -0.32 -3.42 -0.02 0.00 0.52 0.00 0.00 34.95 31.71 3a8x s ARG 471 CO 0.35 -0.05 0.95 0.42 0.02 0.00 0.00 175.30 176.99 3a8x s ILE 472 N 1.30 4.83 0.40 1.52 -1.09 -1.26 -5.01 121.20 121.89 3a8x s ILE 472 Ca 0.06 1.92 -0.25 0.00 -2.23 0.00 0.00 60.65 60.15 3a8x s ILE 472 Cb -0.15 -4.26 -0.11 0.00 -1.58 0.00 0.00 42.46 36.36 3a8x s ILE 472 CO 0.05 0.04 1.04 -2.65 -1.23 0.00 0.00 174.94 172.19 3a8x n PRO 473 N 4.84 1.42 0.27 2.79 -0.02 -1.26 -4.85 135.00 138.19 3a8x n PRO 473 Ca 0.07 0.51 0.11 0.00 -2.02 0.00 0.00 63.50 62.17 3a8x n PRO 473 Cb 0.49 -2.05 0.76 0.00 -0.02 0.00 0.00 33.50 32.69 3a8x n PRO 473 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3a8x h ARG 474 N 1.69 0.00 0.00 -0.52 0.11 -2.01 -2.47 114.38 111.18 3a8x h ARG 474 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 3a8x h ARG 474 Cb 1.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 3a8x h ARG 474 CO 0.58 0.02 0.00 -1.13 0.10 0.00 0.00 179.97 179.54 3a8x n SER 475 N -4.15 0.60 -4.79 0.08 3.41 -1.26 -4.80 113.62 102.71 3a8x n SER 475 Ca -0.03 0.64 -0.37 0.00 -0.26 0.00 0.00 58.87 58.85 3a8x n SER 475 Cb 0.11 -0.77 -0.06 0.00 -0.26 0.00 0.00 64.21 63.22 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 -4.31 4.37 1.02 1.04 1.43 -0.93 -5.04 118.68 116.25 3a8x s LEU 476 Ca 0.05 1.75 -0.12 0.00 -1.03 0.00 0.00 54.13 54.77 3a8x s LEU 476 Cb 0.09 -3.87 0.17 0.00 0.03 0.00 0.00 46.19 42.61 3a8x s LEU 476 CO 0.39 -0.02 0.88 -1.54 0.23 0.00 0.00 176.35 176.28 3a8x n SER 477 N 0.69 -0.94 -0.15 2.29 3.41 -1.26 -4.79 113.62 112.87 3a8x n SER 477 Ca 0.01 0.18 -0.06 0.00 -0.26 0.00 0.00 58.87 58.73 3a8x n SER 477 Cb 0.50 -1.32 0.11 0.00 -0.26 0.00 0.00 64.21 63.24 3a8x n SER 477 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3a8x h VAL 478 N -2.10 1.25 -0.23 -3.33 2.07 -1.97 -1.65 116.25 110.30 3a8x h VAL 478 Ca -0.50 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 65.88 3a8x h VAL 478 Cb 1.30 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3a8x h VAL 478 CO 0.42 0.38 -0.22 0.11 0.02 0.00 0.00 177.57 178.28 3a8x h LYS 479 N 0.84 0.41 -0.20 1.57 1.57 -1.97 -1.37 116.57 117.42 3a8x h LYS 479 Ca 0.16 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 3a8x h LYS 479 Cb 0.49 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 3a8x h LYS 479 CO 0.02 0.61 -0.12 0.00 -0.57 0.00 0.00 179.45 179.39 3a8x h ALA 480 N 1.40 0.29 -0.92 3.86 0.00 -1.85 -1.78 119.26 120.27 3a8x h ALA 480 Ca 0.06 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.74 3a8x h ALA 480 Cb 0.59 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 3a8x h ALA 480 CO 0.04 0.15 0.57 0.00 0.00 0.00 0.00 179.25 180.01 3a8x h ALA 481 N 0.69 1.30 -0.25 0.00 0.00 -1.14 -1.10 119.26 118.77 3a8x h ALA 481 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3a8x h ALA 481 Cb 0.63 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3a8x h ALA 481 CO 0.03 0.27 -0.03 1.03 0.00 0.00 0.00 179.25 180.55 3a8x h SER 482 N 0.99 0.46 -0.25 0.00 0.87 -1.07 0.04 113.55 114.60 3a8x h SER 482 Ca 0.42 -0.34 -0.14 0.00 -1.23 0.00 0.00 61.79 60.50 3a8x h SER 482 Cb 0.28 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3a8x h SER 482 CO -0.21 0.69 -0.34 1.62 -0.53 0.00 0.00 176.83 178.06 3a8x h VAL 483 N 0.22 1.28 -0.30 2.23 3.04 -1.08 -0.93 116.25 120.71 3a8x h VAL 483 Ca 0.07 -1.50 -0.06 0.00 -1.01 0.00 0.00 66.70 64.20 3a8x h VAL 483 Cb 0.48 1.38 -0.01 0.00 -2.01 0.00 0.00 31.29 31.13 3a8x h VAL 483 CO 0.02 0.49 -0.04 -0.07 -1.01 0.00 0.00 177.57 176.96 3a8x h LEU 484 N 0.65 0.56 -0.80 3.16 3.38 -1.14 -0.51 115.31 120.61 3a8x h LEU 484 Ca 0.06 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.70 3a8x h LEU 484 Cb 0.89 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 3a8x h LEU 484 CO 0.08 0.77 0.53 0.11 0.09 0.00 0.00 178.44 180.02 3a8x h LYS 485 N 0.34 1.05 -0.31 1.13 1.79 -0.76 -0.96 116.57 118.85 3a8x h LYS 485 Ca 0.08 -0.06 -0.12 0.00 -2.18 0.00 0.00 60.65 58.37 3a8x h LYS 485 Cb 0.51 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 3a8x h LYS 485 CO 0.02 0.69 -0.28 0.77 -1.08 0.00 0.00 179.45 179.58 3a8x h SER 486 N 1.08 0.78 -0.14 0.86 0.02 -0.89 -2.62 113.55 112.64 3a8x h SER 486 Ca 0.29 -0.46 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 3a8x h SER 486 Cb -0.13 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.18 3a8x h SER 486 CO -0.06 1.08 -0.00 -0.26 -1.14 0.00 0.00 176.83 176.44 3a8x h PHE 487 N 0.49 0.37 -0.79 3.45 0.05 -0.99 -1.94 116.94 117.58 3a8x h PHE 487 Ca 0.05 -0.03 -0.35 0.00 3.82 0.00 0.00 57.97 61.47 3a8x h PHE 487 Cb 0.84 -0.11 -0.21 0.00 2.00 0.00 0.00 35.95 38.48 3a8x h PHE 487 CO 0.07 0.38 0.39 1.28 -0.18 0.00 0.00 178.31 180.25 3a8x n LEU 488 N -4.34 6.03 -4.68 1.54 4.77 -0.38 -4.20 117.00 115.75 3a8x n LEU 488 Ca 0.01 -3.48 -0.42 0.00 -0.03 0.00 0.00 56.01 52.08 3a8x n LEU 488 Cb 0.21 -0.77 -0.03 0.00 -2.33 0.00 0.00 43.42 40.50 3a8x n LEU 488 CO 0.37 0.99 1.36 0.21 -1.33 0.00 0.00 177.39 178.99 3a8x s ASN 489 N -1.42 6.59 0.40 -1.43 3.84 -1.00 -4.89 114.94 117.02 3a8x s ASN 489 Ca 0.54 2.48 0.28 0.00 0.21 0.00 0.00 52.86 56.38 3a8x s ASN 489 Cb 0.45 -2.56 1.27 0.00 -0.55 0.00 0.00 41.25 39.86 3a8x s ASN 489 CO 0.10 -0.91 1.85 0.11 -2.79 0.00 0.00 177.10 175.46 3a8x h LYS 490 N 8.67 0.00 -4.45 0.43 1.57 -1.91 -3.40 116.57 117.48 3a8x h LYS 490 Ca -0.43 0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 57.62 3a8x h LYS 490 Cb 1.20 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.30 3a8x h LYS 490 CO 0.93 0.00 -0.30 0.34 -0.57 0.00 0.00 179.45 179.86 3a8x s ASP 491 N -4.74 6.15 0.25 0.86 3.68 -1.26 -4.64 116.67 116.97 3a8x s ASP 491 Ca 0.01 -1.15 0.21 0.00 2.13 0.00 0.00 52.55 53.75 3a8x s ASP 491 Cb 0.09 -2.19 0.97 0.00 -1.45 0.00 0.00 42.92 40.34 3a8x s ASP 491 CO 0.41 -0.63 1.63 -0.81 0.13 0.00 0.00 175.17 175.90 3a8x n PRO 492 N 5.33 0.15 0.14 4.34 -0.04 -1.26 -0.39 135.00 143.26 3a8x n PRO 492 Ca -0.11 0.50 0.02 0.00 -0.04 0.00 0.00 63.50 63.87 3a8x n PRO 492 Cb 0.45 -1.86 0.02 0.00 -0.04 0.00 0.00 33.50 32.07 3a8x n PRO 492 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3a8x h LYS 493 N 0.00 0.00 -0.02 0.54 6.56 -1.91 -3.30 116.57 118.44 3a8x h LYS 493 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3a8x h LYS 493 Cb 0.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.85 3a8x h LYS 493 CO 0.00 0.51 -0.38 0.39 -2.06 0.00 0.00 179.45 177.91 3a8x n GLU 494 N -3.22 1.31 -2.47 3.15 -0.58 0.47 -4.73 120.64 114.58 3a8x n GLU 494 Ca 0.02 -1.05 -0.41 0.00 -0.42 0.00 0.00 57.16 55.29 3a8x n GLU 494 Cb 0.74 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 30.10 3a8x n GLU 494 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 3a8x s ARG 495 N -2.41 4.54 -0.04 3.49 3.52 -1.01 -4.95 118.95 122.10 3a8x s ARG 495 Ca 0.21 1.76 -0.39 0.00 -0.13 0.00 0.00 55.73 57.18 3a8x s ARG 495 Cb 0.19 -3.28 -0.18 0.00 -1.56 0.00 0.00 34.95 30.11 3a8x s ARG 495 CO 0.53 -0.02 1.32 -0.11 -0.81 0.00 0.00 175.30 176.20 3a8x n LEU 496 N 2.65 1.11 0.00 -0.88 7.94 -0.74 -1.31 117.00 125.77 3a8x n LEU 496 Ca 0.04 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 3a8x n LEU 496 Cb 0.46 -1.06 0.00 0.00 0.53 0.00 0.00 43.42 43.35 3a8x n LEU 496 CO 0.55 -1.26 0.00 0.61 -1.11 0.00 0.00 177.39 176.18 3a8x n GLY 497 N 2.49 0.59 0.25 -3.96 0.00 -1.24 -4.74 105.19 98.58 3a8x n GLY 497 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.88 2.01 0.39 0.00 5.04 -1.26 -4.88 115.29 115.71 3a8x s HIS 499 Ca 0.08 -0.05 0.19 0.00 -1.54 0.00 0.00 55.06 53.74 3a8x s HIS 499 Cb 0.06 -4.15 1.13 0.00 0.04 0.00 0.00 32.58 29.66 3a8x s HIS 499 CO 0.14 -4.81 1.75 -1.35 -2.34 0.00 0.00 174.74 168.13 3a8x h PRO 500 N 9.00 0.36 0.00 2.88 0.11 -1.95 -0.80 132.00 141.59 3a8x h PRO 500 Ca -0.46 -0.02 -0.38 0.00 0.11 0.00 0.00 66.00 65.25 3a8x h PRO 500 Cb 1.22 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 3a8x h PRO 500 CO 0.94 0.24 -2.20 1.04 -0.21 0.00 0.00 178.00 177.81 3a8x n GLN 501 N -4.67 0.58 -0.19 1.05 3.00 -1.26 -4.76 117.38 111.13 3a8x n GLN 501 Ca 0.27 0.30 0.10 0.00 -0.01 0.00 0.00 57.00 57.66 3a8x n GLN 501 Cb 0.94 -1.52 0.20 0.00 0.00 0.00 0.00 30.24 29.86 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 -4.30 0.60 -0.17 5.09 -2.24 -1.19 -4.76 114.28 107.31 3a8x n THR 502 Ca -0.47 -0.80 -0.09 0.00 -2.27 0.00 0.00 64.05 60.43 3a8x n THR 502 Cb 0.81 0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 69.88 3a8x n THR 502 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3a8x h GLY 503 N 3.81 -0.46 1.79 3.38 0.00 -1.38 0.35 103.07 110.56 3a8x h GLY 503 Ca 0.00 0.54 -0.11 0.00 0.00 0.00 0.00 47.33 47.75 3a8x h GLY 503 CO 0.00 -0.18 -0.45 -2.75 0.00 0.00 0.00 176.54 173.16 3a8x h PHE 504 N -0.26 0.27 -0.36 5.60 3.57 -1.84 -2.18 116.94 121.74 3a8x h PHE 504 Ca 0.17 -0.08 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 3a8x h PHE 504 Cb 0.57 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 3a8x h PHE 504 CO -0.66 0.64 -0.18 0.00 -2.23 0.00 0.00 178.31 175.88 3a8x h ALA 505 N 1.35 1.01 -0.82 2.41 0.00 -1.38 -1.04 119.26 120.79 3a8x h ALA 505 Ca 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3a8x h ALA 505 Cb 0.87 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3a8x h ALA 505 CO 0.07 0.59 0.45 -0.44 0.00 0.00 0.00 179.25 179.92 3a8x h ASP 506 N 0.60 1.01 -0.01 0.00 3.45 -0.05 -0.97 116.42 120.44 3a8x h ASP 506 Ca 0.09 -0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.47 3a8x h ASP 506 Cb 0.65 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 39.16 3a8x h ASP 506 CO 0.05 0.81 0.00 0.40 -1.57 0.00 0.00 179.24 178.93 3a8x h ILE 507 N 1.14 1.15 0.00 0.35 2.04 -0.92 -2.54 117.51 118.72 3a8x h ILE 507 Ca 0.29 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 3a8x h ILE 507 Cb 0.02 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3a8x h ILE 507 CO -0.05 0.12 -0.14 1.56 0.00 0.00 0.00 178.15 179.64 3a8x h GLN 508 N -0.16 0.00 -0.02 2.37 4.20 -0.85 -2.31 115.11 118.34 3a8x h GLN 508 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3a8x h GLN 508 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 3a8x h GLN 508 CO -0.00 0.14 -0.10 0.41 -0.67 0.00 0.00 178.83 178.61 3a8x n GLY 509 N -1.01 0.41 3.76 3.46 0.00 -0.40 -4.70 105.19 106.70 3a8x n GLY 509 Ca -0.02 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.12 2.98 0.48 1.61 5.04 -0.87 -4.90 115.29 117.51 3a8x s HIS 510 Ca 0.29 1.23 0.25 0.00 -1.54 0.00 0.00 55.06 55.29 3a8x s HIS 510 Cb 0.20 -3.78 1.29 0.00 0.04 0.00 0.00 32.58 30.34 3a8x s HIS 510 CO 0.37 -2.31 1.86 -1.35 -2.34 0.00 0.00 174.74 170.97 3a8x h PRO 511 N 4.01 0.19 0.00 2.88 0.11 -1.92 0.66 132.00 137.93 3a8x h PRO 511 Ca -0.48 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3a8x h PRO 511 Cb 1.22 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3a8x h PRO 511 CO 0.70 0.13 -0.17 0.35 -0.21 0.00 0.00 178.00 178.80 3a8x h PHE 512 N 0.20 0.00 -0.52 0.65 3.57 -1.91 -2.40 116.94 116.53 3a8x h PHE 512 Ca 0.47 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.97 3a8x h PHE 512 Cb 1.52 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.26 3a8x h PHE 512 CO -0.00 0.17 0.00 1.19 -2.23 0.00 0.00 178.31 177.44 3a8x n PHE 513 N -4.12 1.29 -0.25 0.41 3.72 0.21 -4.66 117.46 114.07 3a8x n PHE 513 Ca -0.02 -0.66 0.05 0.00 -0.05 0.00 0.00 57.45 56.77 3a8x n PHE 513 Cb 0.24 -0.25 0.18 0.00 -0.94 0.00 0.00 39.48 38.71 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 3.32 0.33 -0.15 -1.08 9.65 -1.30 -1.46 114.38 123.69 3a8x h ARG 514 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3a8x h ARG 514 Cb 1.40 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.91 3a8x h ARG 514 CO 0.22 0.22 0.00 0.09 2.80 0.00 0.00 179.97 183.30 3a8x n ASN 515 N -5.09 0.98 -4.68 -3.80 3.02 -1.26 -4.83 115.26 99.61 3a8x n ASN 515 Ca 0.14 -1.83 -0.42 0.00 -0.03 0.00 0.00 54.58 52.44 3a8x n ASN 515 Cb 0.44 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.48 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 -1.80 4.81 -0.53 2.41 1.01 -0.55 -5.01 120.40 120.74 3a8x s VAL 516 Ca 0.20 1.88 -0.21 0.00 0.00 0.00 0.00 61.98 63.84 3a8x s VAL 516 Cb 0.10 -4.24 0.05 0.00 0.00 0.00 0.00 36.38 32.29 3a8x s VAL 516 CO 0.15 -0.01 0.77 -0.62 0.00 0.00 0.00 175.10 175.39 3a8x s ASP 517 N 1.13 6.27 0.45 3.32 3.68 -1.26 -4.93 116.67 125.33 3a8x s ASP 517 Ca 0.44 -0.68 0.24 0.00 2.13 0.00 0.00 52.55 54.68 3a8x s ASP 517 Cb -0.17 -2.36 1.05 0.00 -1.45 0.00 0.00 42.92 39.99 3a8x s ASP 517 CO 0.14 -1.05 1.89 -0.50 0.13 0.00 0.00 175.17 175.77 3a8x h TRP 518 N 9.15 0.00 -0.13 -5.34 4.06 -1.96 -1.12 115.95 120.62 3a8x h TRP 518 Ca -0.27 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.59 3a8x h TRP 518 Cb 1.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.25 3a8x h TRP 518 CO 0.83 0.22 -0.27 -0.44 -3.56 0.00 0.00 178.44 175.21 3a8x h ASP 519 N 0.00 0.46 -0.55 -3.49 3.45 -1.99 -1.00 116.42 113.30 3a8x h ASP 519 Ca -0.00 -0.57 -0.07 0.00 0.43 0.00 0.00 57.03 56.82 3a8x h ASP 519 Cb 0.64 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.26 3a8x h ASP 519 CO 0.03 0.94 0.08 0.24 -1.57 0.00 0.00 179.24 178.96 3a8x h MET 520 N -0.01 0.92 0.02 3.56 2.86 -1.90 -2.08 114.93 118.31 3a8x h MET 520 Ca 0.00 -0.26 0.02 0.00 -2.06 0.00 0.00 59.70 57.41 3a8x h MET 520 Cb 0.87 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 3a8x h MET 520 CO 0.06 0.90 -0.15 1.98 1.06 0.00 0.00 176.91 180.75 3a8x h MET 521 N 0.81 -0.26 0.00 1.72 -1.53 -1.21 0.37 114.93 114.84 3a8x h MET 521 Ca 0.17 0.02 -0.01 0.00 -3.44 0.00 0.00 59.70 56.43 3a8x h MET 521 Cb 0.43 0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 31.54 3a8x h MET 521 CO 0.01 -0.17 -0.07 1.49 0.14 0.00 0.00 176.91 178.31 3a8x h GLU 522 N -0.27 0.00 -0.51 0.39 4.81 -1.08 -1.04 114.58 116.87 3a8x h GLU 522 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3a8x h GLU 522 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3a8x h GLU 522 CO -0.13 0.07 0.00 1.04 -0.73 0.00 0.00 179.01 179.26 3a8x n GLN 523 N -4.18 2.27 -3.90 1.92 6.02 -0.79 -4.86 117.38 113.85 3a8x n GLN 523 Ca -0.03 -1.81 -0.28 0.00 -0.01 0.00 0.00 57.00 54.88 3a8x n GLN 523 Cb 0.15 -1.44 0.02 0.00 1.02 0.00 0.00 30.24 29.99 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 0.90 -4.88 0.00 -1.09 5.02 -0.39 -4.89 118.16 112.83 3a8x n LYS 524 Ca 0.17 0.56 0.10 0.00 -2.02 0.00 0.00 58.31 57.11 3a8x n LYS 524 Cb 0.46 -5.26 0.03 0.00 -0.02 0.00 0.00 35.03 30.23 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 -4.52 1.61 -3.18 1.97 6.02 0.13 -4.85 117.38 114.55 3a8x n GLN 525 Ca -0.08 -1.23 -0.40 0.00 -0.01 0.00 0.00 57.00 55.27 3a8x n GLN 525 Cb 0.58 -1.39 -0.07 0.00 1.02 0.00 0.00 30.24 30.38 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 -2.03 5.04 0.11 5.09 1.01 -1.23 -4.93 120.40 123.46 3a8x s VAL 526 Ca 0.19 1.02 -0.31 0.00 0.00 0.00 0.00 61.98 62.88 3a8x s VAL 526 Cb 0.16 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 3a8x s VAL 526 CO 0.41 0.09 1.68 -0.69 0.00 0.00 0.00 175.10 176.59 3a8x s VAL 527 N 2.15 2.75 0.67 2.92 1.01 -1.26 -4.96 120.40 123.68 3a8x s VAL 527 Ca 0.24 0.34 -0.17 0.00 0.00 0.00 0.00 61.98 62.40 3a8x s VAL 527 Cb -0.16 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.01 3a8x s VAL 527 CO 0.09 0.01 1.25 -2.84 0.00 0.00 0.00 175.10 173.61 3a8x s PRO 528 N 2.20 2.44 0.37 2.72 0.02 -1.26 -4.92 135.00 136.57 3a8x s PRO 528 Ca 0.75 1.91 0.27 0.00 0.02 0.00 0.00 61.00 63.95 3a8x s PRO 528 Cb -0.43 -1.85 0.90 0.00 0.02 0.00 0.00 34.50 33.14 3a8x s PRO 528 CO 0.33 -1.64 1.78 -1.00 -0.33 0.00 0.00 177.00 176.14 3a8x h PRO 529 N 0.26 0.00 -3.41 5.54 0.13 -1.92 -3.44 132.00 129.16 3a8x h PRO 529 Ca -0.50 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.37 3a8x h PRO 529 Cb 1.32 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.12 3a8x h PRO 529 CO 0.52 0.00 -0.66 0.12 -0.23 0.00 0.00 178.00 177.75 3a8x s PHE 530 N -3.34 -0.07 -0.28 1.56 5.36 -1.26 -5.11 117.98 114.83 3a8x s PHE 530 Ca 0.05 0.29 -0.08 0.00 -0.96 0.00 0.00 56.93 56.24 3a8x s PHE 530 Cb 0.09 -0.14 -0.01 0.00 -0.34 0.00 0.00 43.02 42.63 3a8x s PHE 530 CO 0.55 -0.12 0.10 0.21 -1.46 0.00 0.00 175.22 174.50 3a8x s LYS 531 N 0.98 3.36 0.50 10.12 2.36 -1.26 -4.26 119.74 131.54 3a8x s LYS 531 Ca -0.08 -0.69 -0.23 0.00 -2.55 0.00 0.00 55.97 52.42 3a8x s LYS 531 Cb -0.11 -3.42 -0.07 0.00 -1.05 0.00 0.00 37.83 33.19 3a8x s LYS 531 CO -0.04 -0.35 1.36 -2.30 1.55 0.00 0.00 175.35 175.57 3a8x n PRO 532 N 4.92 1.90 -2.74 4.03 -0.02 -1.26 -4.96 135.00 136.87 3a8x n PRO 532 Ca -0.15 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 3a8x n PRO 532 Cb 0.49 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 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 -0.71 7.06 -0.43 2.55 0.01 -1.26 -4.93 114.94 117.23 3a8x s ASN 533 Ca 0.67 1.32 -0.10 0.00 -0.71 0.00 0.00 52.86 54.03 3a8x s ASN 533 Cb -0.44 -2.51 0.08 0.00 0.41 0.00 0.00 41.25 38.79 3a8x s ASN 533 CO 0.53 -0.56 0.28 -0.63 -1.51 0.00 0.00 177.10 175.21 3a8x s ILE 534 N 2.76 4.35 0.43 0.60 -1.09 -1.26 -4.82 121.20 122.18 3a8x s ILE 534 Ca 0.42 -1.37 -0.01 0.00 -2.23 0.00 0.00 60.65 57.46 3a8x s ILE 534 Cb -0.16 -3.66 -0.02 0.00 -1.58 0.00 0.00 42.46 37.04 3a8x s ILE 534 CO 0.09 -0.53 0.67 -0.94 -1.23 0.00 0.00 174.94 173.01 3a8x s SER 535 N 2.20 6.06 0.86 3.58 1.04 -1.26 -4.82 113.70 121.34 3a8x s SER 535 Ca 0.03 0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.97 3a8x s SER 535 Cb -0.23 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 64.03 3a8x s SER 535 CO 0.03 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.29 3a8x n GLY 536 N -2.06 2.72 0.12 7.32 0.00 -1.26 -1.68 105.19 110.35 3a8x n GLY 536 Ca -0.01 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 3a8x n GLY 536 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3a8x h GLU 537 N 0.00 0.20 0.00 1.61 5.08 -2.05 -3.42 114.58 116.00 3a8x h GLU 537 Ca 0.00 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3a8x h GLU 537 Cb 0.00 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3a8x h GLU 537 CO 0.00 1.01 0.00 1.19 -1.00 0.00 0.00 179.01 180.21 3a8x n PHE 538 N -3.37 0.00 -0.73 4.33 3.72 -1.24 -5.01 117.46 115.17 3a8x n PHE 538 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 3a8x n PHE 538 Cb 1.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 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 0.06 0.56 0.13 1.37 0.00 -0.68 -4.90 105.19 101.73 3a8x n GLY 539 Ca 0.00 -0.72 0.08 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 0.39 0.14 0.99 4.77 -1.26 -0.74 117.00 121.29 3a8x n LEU 540 Ca 0.00 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 3a8x n LEU 540 Cb 0.00 -0.65 0.50 0.00 -2.33 0.00 0.00 43.42 40.93 3a8x n LEU 540 CO 0.00 -0.77 0.87 0.44 -1.33 0.00 0.00 177.39 176.60 3a8x h ASP 541 N 0.00 0.00 0.59 -1.43 3.45 -1.90 -2.05 116.42 115.08 3a8x h ASP 541 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3a8x h ASP 541 Cb 0.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 3a8x h ASP 541 CO 0.00 0.00 -0.14 0.59 -1.57 0.00 0.00 179.24 178.12 3a8x n ASN 542 N -2.30 0.29 -4.96 6.45 5.03 0.08 -4.85 115.26 115.01 3a8x n ASN 542 Ca 0.02 -0.16 -0.23 0.00 0.87 0.00 0.00 54.58 55.09 3a8x n ASN 542 Cb 0.25 -0.16 -0.02 0.00 -1.02 0.00 0.00 39.78 38.83 3a8x n ASN 542 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 3a8x s PHE 543 N -2.73 3.46 0.18 3.10 0.40 -0.77 -4.44 117.98 117.18 3a8x s PHE 543 Ca 0.21 0.07 -0.31 0.00 -0.60 0.00 0.00 56.93 56.31 3a8x s PHE 543 Cb 0.19 -1.65 -0.09 0.00 0.51 0.00 0.00 43.02 41.98 3a8x s PHE 543 CO 0.53 0.40 1.48 0.34 0.70 0.00 0.00 175.22 178.68 3a8x s ASP 544 N -3.82 6.67 0.60 1.36 -1.08 -1.26 -4.89 116.67 114.25 3a8x s ASP 544 Ca 0.35 2.55 0.36 0.00 -0.52 0.00 0.00 52.55 55.29 3a8x s ASP 544 Cb -0.10 -2.60 1.91 0.00 -1.46 0.00 0.00 42.92 40.67 3a8x s ASP 544 CO 0.30 -0.74 2.22 -1.28 0.52 0.00 0.00 175.17 176.19 3a8x h SER 545 N 6.27 0.00 -0.98 -0.34 0.87 -1.94 -1.56 113.55 115.87 3a8x h SER 545 Ca -0.43 0.00 0.22 0.00 -1.23 0.00 0.00 61.79 60.35 3a8x h SER 545 Cb 1.21 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.08 3a8x h SER 545 CO 0.86 0.03 0.63 -0.61 -0.53 0.00 0.00 176.83 177.21 3a8x h GLN 546 N 0.00 0.51 0.01 2.24 4.15 -2.01 -2.29 115.11 117.73 3a8x h GLN 546 Ca -0.00 -0.03 -0.34 0.00 0.77 0.00 0.00 58.65 59.05 3a8x h GLN 546 Cb 0.16 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 27.69 3a8x h GLN 546 CO 0.00 0.34 -1.90 1.19 -1.93 0.00 0.00 178.83 176.53 3a8x n PHE 547 N -4.64 0.60 0.31 3.99 3.72 -0.61 -4.32 117.46 116.51 3a8x n PHE 547 Ca 0.23 0.23 0.17 0.00 -0.05 0.00 0.00 57.45 58.03 3a8x n PHE 547 Cb 0.72 -1.06 0.75 0.00 -0.94 0.00 0.00 39.48 38.94 3a8x n PHE 547 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3a8x h THR 548 N -0.81 0.00 0.00 4.37 1.35 -1.44 -0.37 112.91 116.00 3a8x h THR 548 Ca -0.50 -0.30 -0.09 0.00 -0.55 0.00 0.00 66.41 64.97 3a8x h THR 548 Cb 1.54 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 69.14 3a8x h THR 548 CO -0.25 0.00 -0.43 0.78 -0.25 0.00 0.00 175.52 175.37 3a8x h ASN 549 N 0.00 0.00 -4.00 5.36 2.35 -1.60 -3.43 115.58 114.26 3a8x h ASN 549 Ca 0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 3a8x h ASN 549 Cb 0.33 0.00 0.18 0.00 0.05 0.00 0.00 38.32 38.88 3a8x h ASN 549 CO 0.00 0.43 0.21 -0.62 -1.65 0.00 0.00 177.43 175.80 3a8x n GLU 550 N -3.61 0.30 -1.97 0.81 1.02 -0.15 -4.94 120.64 112.09 3a8x n GLU 550 Ca -0.01 0.17 -0.41 0.00 -0.02 0.00 0.00 57.16 56.89 3a8x n GLU 550 Cb 0.53 -2.33 -0.02 0.00 -0.02 0.00 0.00 31.44 29.60 3a8x n GLU 550 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3a8x s PRO 551 N -3.79 4.24 -0.94 3.49 0.04 -1.26 -4.68 135.00 132.11 3a8x s PRO 551 Ca 0.73 2.36 -0.23 0.00 0.04 0.00 0.00 61.00 63.90 3a8x s PRO 551 Cb -0.31 -3.08 0.06 0.00 0.04 0.00 0.00 34.50 31.22 3a8x s PRO 551 CO 0.51 -0.43 1.33 0.08 0.04 0.00 0.00 177.00 178.53 3a8x s VAL 552 N -0.25 4.07 0.12 -0.36 1.01 -1.26 -4.85 120.40 118.88 3a8x s VAL 552 Ca 0.58 -0.72 -0.25 0.00 0.00 0.00 0.00 61.98 61.60 3a8x s VAL 552 Cb -0.43 -4.96 0.08 0.00 0.00 0.00 0.00 36.38 31.07 3a8x s VAL 552 CO 0.47 -1.81 0.66 0.00 0.00 0.00 0.00 175.10 174.42 3a8x s GLN 553 N 4.59 1.18 0.00 2.72 1.03 -1.26 -5.01 119.66 122.90 3a8x s GLN 553 Ca 0.40 -0.40 0.00 0.00 0.04 0.00 0.00 55.36 55.40 3a8x s GLN 553 Cb -0.03 0.54 0.00 0.00 0.03 0.00 0.00 33.01 33.55 3a8x s GLN 553 CO -0.05 -0.51 0.00 1.28 -2.54 0.00 0.00 175.29 173.47 3a8x n LEU 554 N -0.28 0.00 -4.63 2.60 4.77 -1.26 -5.10 117.00 113.09 3a8x n LEU 554 Ca -0.16 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.52 3a8x n LEU 554 Cb 0.64 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.64 3a8x n LEU 554 CO 0.12 0.00 -0.37 -2.84 -1.33 0.00 0.00 177.39 172.97 3a8x s PRO 556 N 2.49 2.45 0.43 3.23 0.02 -1.26 -5.24 135.00 137.12 3a8x s PRO 556 Ca 0.00 -0.85 0.03 0.00 0.02 0.00 0.00 61.00 60.21 3a8x s PRO 556 Cb 0.00 -2.47 0.00 0.00 0.02 0.00 0.00 34.50 32.05 3a8x s PRO 556 CO 0.00 0.55 0.62 -0.51 -0.33 0.00 0.00 177.00 177.33 3a8x s ASP 557 N -2.00 5.76 -0.24 2.53 1.11 -1.26 -5.09 116.67 117.48 3a8x s ASP 557 Ca 0.22 0.02 -0.10 0.00 0.18 0.00 0.00 52.55 52.87 3a8x s ASP 557 Cb -0.11 -1.24 -0.05 0.00 1.07 0.00 0.00 42.92 42.58 3a8x s ASP 557 CO 0.14 -0.70 0.15 1.51 1.18 0.00 0.00 175.17 177.45 3a8x s ASP 558 N -4.25 6.04 0.42 0.27 3.84 -1.26 -4.98 116.67 116.75 3a8x s ASP 558 Ca 0.49 0.08 0.29 0.00 -0.00 0.00 0.00 52.55 53.42 3a8x s ASP 558 Cb -0.10 -2.09 1.44 0.00 -1.38 0.00 0.00 42.92 40.79 3a8x s ASP 558 CO 0.35 0.05 1.88 0.44 -0.00 0.00 0.00 175.17 177.90 3a8x h ASP 559 N 7.59 0.00 0.10 2.11 5.19 -1.98 -2.45 116.42 126.99 3a8x h ASP 559 Ca -0.38 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.03 3a8x h ASP 559 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 3a8x h ASP 559 CO 0.64 0.00 -0.05 0.44 -3.12 0.00 0.00 179.24 177.15 3a8x h ASP 560 N 0.00 -0.12 -0.17 6.45 3.45 -1.99 -0.84 116.42 123.19 3a8x h ASP 560 Ca 0.00 -0.22 -0.06 0.00 0.43 0.00 0.00 57.03 57.18 3a8x h ASP 560 Cb 0.16 0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 38.95 3a8x h ASP 560 CO 0.00 0.16 -0.11 0.40 -1.57 0.00 0.00 179.24 178.12 3a8x h ILE 561 N -0.40 1.32 -0.89 0.35 1.08 -1.89 -3.23 117.51 113.86 3a8x h ILE 561 Ca -0.01 -1.20 0.06 0.00 -0.39 0.00 0.00 64.86 63.32 3a8x h ILE 561 Cb 0.33 1.73 -0.06 0.00 -3.07 0.00 0.00 36.82 35.75 3a8x h ILE 561 CO 0.02 0.36 0.55 0.58 -0.69 0.00 0.00 178.15 178.97 3a8x h VAL 562 N 0.05 1.05 0.00 1.67 2.07 -1.49 -1.48 116.25 118.11 3a8x h VAL 562 Ca 0.04 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3a8x h VAL 562 Cb 0.61 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3a8x h VAL 562 CO 0.03 0.18 0.00 0.08 0.02 0.00 0.00 177.57 177.88 3a8x h ARG 563 N 1.00 0.00 0.00 1.57 0.11 -1.17 -2.02 114.38 113.88 3a8x h ARG 563 Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 3a8x h ARG 563 Cb 0.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 3a8x h ARG 563 CO -0.18 0.00 -0.14 1.63 0.10 0.00 0.00 179.97 181.39 3a8x n LYS 564 N -2.29 0.23 -1.90 0.08 5.02 -0.56 -4.84 118.16 113.89 3a8x n LYS 564 Ca 0.01 0.16 -0.42 0.00 -2.02 0.00 0.00 58.31 56.03 3a8x n LYS 564 Cb 0.18 -1.73 -0.03 0.00 -0.02 0.00 0.00 35.03 33.42 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 -3.10 2.96 -0.56 -0.18 -1.09 -0.76 -4.93 121.20 113.53 3a8x s ILE 565 Ca 0.10 0.43 -0.28 0.00 -2.23 0.00 0.00 60.65 58.68 3a8x s ILE 565 Cb 0.14 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 3a8x s ILE 565 CO 0.62 0.00 1.54 -0.62 -1.23 0.00 0.00 174.94 175.25 3a8x s ASP 566 N 2.38 5.92 0.47 3.58 2.15 -1.26 -4.85 116.67 125.06 3a8x s ASP 566 Ca 0.75 0.35 0.27 0.00 0.43 0.00 0.00 52.55 54.34 3a8x s ASP 566 Cb -0.41 -2.54 0.87 0.00 -0.30 0.00 0.00 42.92 40.54 3a8x s ASP 566 CO 0.33 -1.86 1.80 1.56 -0.17 0.00 0.00 175.17 176.82 3a8x h GLN 567 N 12.02 0.00 -0.18 4.34 1.08 -1.96 -3.24 115.11 127.17 3a8x h GLN 567 Ca -0.27 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 56.97 3a8x h GLN 567 Cb 1.11 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.53 3a8x h GLN 567 CO 1.18 0.09 0.12 0.66 -0.95 0.00 0.00 178.83 179.94 3a8x h SER 568 N 0.00 0.04 0.70 1.46 4.64 -2.00 -1.33 113.55 117.07 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 0.77 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3a8x h SER 568 CO 0.01 0.03 0.00 1.21 -0.87 0.00 0.00 176.83 177.21 3a8x n GLU 569 N -4.49 0.26 -0.32 4.77 4.07 -1.22 -2.23 120.64 121.48 3a8x n GLU 569 Ca 0.01 0.01 0.09 0.00 -0.06 0.00 0.00 57.16 57.21 3a8x n GLU 569 Cb 0.22 -1.50 0.25 0.00 -0.06 0.00 0.00 31.44 30.35 3a8x n GLU 569 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3a8x n PHE 570 N -1.36 0.80 -1.84 4.31 3.01 -0.50 -4.99 117.46 116.89 3a8x n PHE 570 Ca 0.11 -0.53 -0.41 0.00 1.01 0.00 0.00 57.45 57.62 3a8x n PHE 570 Cb 0.27 -0.06 -0.02 0.00 -0.01 0.00 0.00 39.48 39.66 3a8x n PHE 570 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3a8x s GLU 571 N -1.19 4.16 0.00 -1.08 -1.05 -0.94 -2.31 118.70 116.28 3a8x s GLU 571 Ca 0.37 2.50 0.00 0.00 -0.15 0.00 0.00 54.97 57.70 3a8x s GLU 571 Cb 0.21 -3.05 0.00 0.00 -0.44 0.00 0.00 34.13 30.85 3a8x s GLU 571 CO 0.23 -0.59 0.00 0.41 0.95 0.00 0.00 175.26 176.26 3a8x n GLY 572 N 2.33 0.56 0.31 -3.83 0.00 -1.26 -4.93 105.19 98.37 3a8x n GLY 572 Ca 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 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 0.88 -3.41 1.61 3.57 -1.85 -3.44 116.94 114.30 3a8x h PHE 573 Ca 0.00 -0.06 -0.57 0.00 3.53 0.00 0.00 57.97 60.87 3a8x h PHE 573 Cb 0.00 -0.27 0.12 0.00 2.79 0.00 0.00 35.95 38.59 3a8x h PHE 573 CO 0.00 0.70 0.50 0.39 -2.23 0.00 0.00 178.31 177.68 3a8x n GLU 574 N -4.30 2.06 -3.60 1.11 4.71 -1.26 -4.71 120.64 114.64 3a8x n GLU 574 Ca 0.05 0.73 -0.15 0.00 -0.01 0.00 0.00 57.16 57.78 3a8x n GLU 574 Cb 0.19 -2.35 -0.07 0.00 -1.01 0.00 0.00 31.44 28.20 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 -1.14 -0.75 -0.04 -0.32 5.04 -0.74 -4.92 117.35 114.48 3a8x s TYR 575 Ca 0.57 1.71 0.03 0.00 -2.44 0.00 0.00 57.07 56.94 3a8x s TYR 575 Cb -0.54 0.31 0.01 0.00 0.35 0.00 0.00 41.96 42.08 3a8x s TYR 575 CO 0.61 -0.44 -0.11 0.42 -1.34 0.00 0.00 175.55 174.69 3a8x s ILE 576 N -0.03 0.96 0.72 3.14 1.01 -1.26 -0.56 121.20 125.18 3a8x s ILE 576 Ca -0.03 -0.42 -0.16 0.00 0.00 0.00 0.00 60.65 60.04 3a8x s ILE 576 Cb -0.04 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 3a8x s ILE 576 CO 0.03 0.30 0.83 -0.46 0.00 0.00 0.00 174.94 175.64 3a8x n ASN 577 N 3.51 -0.05 -0.84 3.58 0.23 -0.19 -4.89 115.26 116.61 3a8x n ASN 577 Ca -0.20 0.64 0.07 0.00 -0.53 0.00 0.00 54.58 54.56 3a8x n ASN 577 Cb 0.53 -1.35 0.20 0.00 -2.08 0.00 0.00 39.78 37.09 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 -1.50 2.05 0.00 -0.53 -0.04 -1.26 -5.08 135.00 128.64 3a8x n PRO 578 Ca 0.12 -1.64 0.15 0.00 -0.04 0.00 0.00 63.50 62.10 3a8x n PRO 578 Cb 0.49 -1.36 0.84 0.00 -0.04 0.00 0.00 33.50 33.44 3a8x n PRO 578 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74