#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dk6 n LYS 234 N 0.00 0.17 0.05 0.11 2.85 -1.26 -2.82 118.16 117.27 3dk6 n LYS 234 Ca 0.00 0.45 -0.04 0.00 -1.05 0.00 0.00 58.31 57.67 3dk6 n LYS 234 Cb 0.00 -1.87 -0.09 0.00 -0.65 0.00 0.00 35.03 32.42 3dk6 n LYS 234 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 177.40 175.86 3dk6 h TRP 235 N 0.00 0.00 -2.77 5.58 4.06 -1.94 -3.47 115.95 117.41 3dk6 h TRP 235 Ca 0.00 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.42 3dk6 h TRP 235 Cb 0.30 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.48 3dk6 h TRP 235 CO 0.00 0.83 0.93 -2.00 -3.56 0.00 0.00 178.44 174.65 3dk6 s GLU 236 N -2.76 4.22 0.24 0.49 2.56 -1.13 -1.21 118.70 121.12 3dk6 s GLU 236 Ca -0.01 2.26 0.10 0.00 0.00 0.00 0.00 54.97 57.32 3dk6 s GLU 236 Cb 0.09 -3.50 -0.05 0.00 2.00 0.00 0.00 34.13 32.67 3dk6 s GLU 236 CO 0.81 -0.67 -0.18 -1.64 -0.56 0.00 0.00 175.26 173.02 3dk6 s MET 237 N 2.24 1.53 0.22 4.30 -1.94 0.67 -4.89 119.30 121.42 3dk6 s MET 237 Ca 0.71 -1.68 -0.28 0.00 -1.71 0.00 0.00 55.69 52.73 3dk6 s MET 237 Cb -0.39 -1.51 -0.09 0.00 2.01 0.00 0.00 34.83 34.86 3dk6 s MET 237 CO 0.31 0.28 0.88 -1.21 -0.01 0.00 0.00 175.02 175.26 3dk6 s GLU 238 N -3.51 4.74 0.36 2.03 0.41 -1.26 -4.54 118.70 116.93 3dk6 s GLU 238 Ca 0.26 1.36 0.04 0.00 -0.41 0.00 0.00 54.97 56.22 3dk6 s GLU 238 Cb -0.03 -3.25 0.69 0.00 -1.78 0.00 0.00 34.13 29.76 3dk6 s GLU 238 CO 0.11 0.53 1.98 -0.09 -0.49 0.00 0.00 175.26 177.30 3dk6 h ARG 239 N 4.16 0.65 0.00 1.61 2.43 -1.95 -2.42 114.38 118.85 3dk6 h ARG 239 Ca -0.46 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 3dk6 h ARG 239 Cb 1.20 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3dk6 h ARG 239 CO 0.67 0.50 0.00 0.25 -1.51 0.00 0.00 179.97 179.88 3dk6 n THR 240 N -4.40 0.05 0.23 0.20 -2.24 -1.26 -2.81 114.28 104.06 3dk6 n THR 240 Ca 0.04 0.01 0.11 0.00 -2.27 0.00 0.00 64.05 61.94 3dk6 n THR 240 Cb 0.12 -0.55 0.54 0.00 -2.10 0.00 0.00 70.33 68.34 3dk6 n THR 240 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3dk6 h ASP 241 N 0.00 0.00 -3.55 3.42 3.32 -1.82 -3.44 116.42 114.35 3dk6 h ASP 241 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 3dk6 h ASP 241 Cb 0.15 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 39.47 3dk6 h ASP 241 CO 0.00 0.20 -0.73 -0.63 -1.72 0.00 0.00 179.24 176.36 3dk6 s ILE 242 N -3.80 3.37 -0.11 0.35 -1.09 -1.12 -2.45 121.20 116.35 3dk6 s ILE 242 Ca -0.00 -0.57 -0.00 0.00 -2.23 0.00 0.00 60.65 57.84 3dk6 s ILE 242 Cb 0.11 -2.40 -0.02 0.00 -1.58 0.00 0.00 42.46 38.57 3dk6 s ILE 242 CO 0.62 0.55 -0.10 -0.89 -1.23 0.00 0.00 174.94 173.89 3dk6 s THR 243 N -0.15 3.41 -0.09 2.92 2.01 -0.81 -4.95 115.64 117.98 3dk6 s THR 243 Ca 0.01 -0.55 -0.27 0.00 0.31 0.00 0.00 61.69 61.18 3dk6 s THR 243 Cb -0.13 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 3dk6 s THR 243 CO 0.03 0.54 0.88 -0.04 -0.69 0.00 0.00 174.62 175.35 3dk6 s MET 244 N -0.04 4.42 -0.02 4.92 1.00 -1.26 -0.07 119.30 128.24 3dk6 s MET 244 Ca -0.01 1.18 -0.01 0.00 0.00 0.00 0.00 55.69 56.84 3dk6 s MET 244 Cb -0.14 -3.51 -0.00 0.00 0.00 0.00 0.00 34.83 31.17 3dk6 s MET 244 CO 0.03 -0.18 -0.03 1.63 0.00 0.00 0.00 175.02 176.47 3dk6 n LYS 245 N 4.58 0.07 -4.19 2.03 5.02 0.12 -4.95 118.16 120.84 3dk6 n LYS 245 Ca 0.05 0.29 -0.16 0.00 -2.02 0.00 0.00 58.31 56.46 3dk6 n LYS 245 Cb 0.50 -0.89 -0.14 0.00 -0.02 0.00 0.00 35.03 34.48 3dk6 n LYS 245 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3dk6 s HIS 246 N -1.19 0.66 0.12 2.13 3.76 -1.02 -4.99 115.29 114.75 3dk6 s HIS 246 Ca -0.02 -0.23 -0.30 0.00 -0.15 0.00 0.00 55.06 54.35 3dk6 s HIS 246 Cb 0.00 -0.41 -0.06 0.00 1.11 0.00 0.00 32.58 33.22 3dk6 s HIS 246 CO 0.03 -0.02 1.08 -1.59 -0.85 0.00 0.00 174.74 173.39 3dk6 s LYS 247 N -0.63 4.58 -0.21 1.40 0.00 -1.26 0.70 119.74 124.32 3dk6 s LYS 247 Ca -0.01 1.65 0.05 0.00 0.00 0.00 0.00 55.97 57.66 3dk6 s LYS 247 Cb -0.05 -3.33 0.44 0.00 0.00 0.00 0.00 37.83 34.89 3dk6 s LYS 247 CO 0.00 0.02 1.41 1.28 0.00 0.00 0.00 175.35 178.06 3dk6 n LEU 248 N 2.93 4.58 -3.21 2.77 4.77 -0.23 -4.86 117.00 123.75 3dk6 n LEU 248 Ca 0.04 -2.38 -0.23 0.00 -0.03 0.00 0.00 56.01 53.41 3dk6 n LEU 248 Cb 0.47 -0.66 -0.06 0.00 -2.33 0.00 0.00 43.42 40.84 3dk6 n LEU 248 CO 0.53 0.67 -0.20 0.61 -1.33 0.00 0.00 177.39 177.67 3dk6 n GLY 251 N -0.09 3.45 0.24 -0.72 0.00 -1.26 -4.73 105.19 102.07 3dk6 n GLY 251 Ca 0.27 -1.84 0.13 0.00 0.00 0.00 0.00 46.02 44.57 3dk6 n GLY 251 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3dk6 h GLN 252 N 3.78 0.00 -0.01 1.61 -0.00 -2.02 -3.15 115.11 115.32 3dk6 h GLN 252 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.75 3dk6 h GLN 252 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.32 3dk6 h GLN 252 CO 0.55 0.07 -0.42 1.97 -0.00 0.00 0.00 178.83 180.99 3dk6 n PHE 253 N -3.14 0.00 0.00 0.06 -0.00 -1.26 -5.07 117.46 108.05 3dk6 n PHE 253 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 3dk6 n PHE 253 Cb 0.45 -0.08 0.00 0.00 -0.00 0.00 0.00 39.48 39.85 3dk6 n PHE 253 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3dk6 n GLY 254 N 1.40 0.95 3.27 4.97 0.00 -1.19 -4.71 105.19 109.87 3dk6 n GLY 254 Ca 0.10 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 3dk6 n GLY 254 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dk6 n GLU 255 N 0.00 3.24 -4.85 1.61 -0.58 -1.26 -4.86 120.64 113.93 3dk6 n GLU 255 Ca 0.00 -3.33 -0.28 0.00 -0.42 0.00 0.00 57.16 53.13 3dk6 n GLU 255 Cb 0.00 -3.25 -0.17 0.00 -0.57 0.00 0.00 31.44 27.46 3dk6 n GLU 255 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3dk6 s VAL 256 N 2.72 1.56 0.07 2.62 1.01 -1.26 -0.71 120.40 126.42 3dk6 s VAL 256 Ca 0.47 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.80 3dk6 s VAL 256 Cb 0.05 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 3dk6 s VAL 256 CO 0.01 0.45 -0.18 -0.31 0.00 0.00 0.00 175.10 175.07 3dk6 s TYR 257 N 0.54 1.58 0.04 5.22 1.51 0.40 -1.06 117.35 125.59 3dk6 s TYR 257 Ca -0.16 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.19 3dk6 s TYR 257 Cb -0.17 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.74 3dk6 s TYR 257 CO 0.06 0.12 1.01 -2.00 -1.11 0.00 0.00 175.55 173.64 3dk6 s GLU 258 N -1.60 4.57 0.27 -0.62 2.12 0.22 -0.22 118.70 123.45 3dk6 s GLU 258 Ca 0.04 1.49 0.02 0.00 0.36 0.00 0.00 54.97 56.89 3dk6 s GLU 258 Cb -0.09 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 3dk6 s GLU 258 CO 0.03 -0.02 0.16 0.20 -0.54 0.00 0.00 175.26 175.09 3dk6 s GLY 259 N 0.74 1.89 -0.15 -1.50 0.00 0.77 0.12 107.32 109.18 3dk6 s GLY 259 Ca 0.52 -1.80 0.01 0.00 0.00 0.00 0.00 44.72 43.46 3dk6 s GLY 259 CO 0.29 -1.52 -0.19 0.14 0.00 0.00 0.00 173.10 171.82 3dk6 s VAL 260 N -3.75 1.91 -0.86 1.40 1.01 0.89 -0.14 120.40 120.86 3dk6 s VAL 260 Ca 0.37 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 61.24 3dk6 s VAL 260 Cb 0.06 -1.72 0.03 0.00 0.00 0.00 0.00 36.38 34.75 3dk6 s VAL 260 CO 0.17 0.52 1.38 0.86 0.00 0.00 0.00 175.10 178.03 3dk6 s TRP 261 N 1.15 2.35 0.24 5.22 -0.11 0.80 -1.91 118.94 126.67 3dk6 s TRP 261 Ca 0.00 -0.33 -0.05 0.00 1.22 0.00 0.00 56.10 56.94 3dk6 s TRP 261 Cb -0.14 -4.63 0.43 0.00 -1.50 0.00 0.00 33.47 27.63 3dk6 s TRP 261 CO -0.08 -2.02 1.75 0.87 -4.62 0.00 0.00 176.95 172.85 3dk6 h LYS 262 N 10.12 0.51 -0.77 5.86 1.57 -1.77 -0.83 116.57 131.27 3dk6 h LYS 262 Ca -0.07 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.79 3dk6 h LYS 262 Cb 1.04 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 33.15 3dk6 h LYS 262 CO 1.34 0.34 0.38 -0.22 -0.57 0.00 0.00 179.45 180.72 3dk6 h LYS 263 N 0.52 0.60 -0.10 3.15 3.64 -1.91 -2.67 116.57 119.80 3dk6 h LYS 263 Ca 0.40 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3dk6 h LYS 263 Cb 0.54 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3dk6 h LYS 263 CO -0.35 0.39 0.00 0.66 -2.27 0.00 0.00 179.45 177.88 3dk6 n TYR 264 N -4.87 0.10 -1.99 1.91 4.02 -0.65 -4.94 117.16 110.74 3dk6 n TYR 264 Ca 0.13 -0.05 -0.14 0.00 -0.01 0.00 0.00 57.90 57.83 3dk6 n TYR 264 Cb 0.33 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.62 3dk6 n TYR 264 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3dk6 n SER 265 N 1.38 -4.16 -4.68 7.72 7.64 -0.41 -4.92 113.62 116.19 3dk6 n SER 265 Ca 0.15 0.24 -0.38 0.00 1.01 0.00 0.00 58.87 59.89 3dk6 n SER 265 Cb 0.60 -3.64 -0.07 0.00 -1.01 0.00 0.00 64.21 60.09 3dk6 n SER 265 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3dk6 s LEU 266 N -4.94 4.17 0.06 -3.43 2.96 -1.03 -4.90 118.68 111.57 3dk6 s LEU 266 Ca 0.00 0.53 -0.31 0.00 -0.22 0.00 0.00 54.13 54.14 3dk6 s LEU 266 Cb 0.00 -2.51 -0.07 0.00 0.50 0.00 0.00 46.19 44.11 3dk6 s LEU 266 CO 0.00 -0.05 1.39 -0.89 -1.32 0.00 0.00 176.35 175.48 3dk6 s THR 267 N 1.15 3.52 0.24 3.68 2.01 -1.26 -0.14 115.64 124.83 3dk6 s THR 267 Ca 0.19 1.03 0.04 0.00 0.31 0.00 0.00 61.69 63.26 3dk6 s THR 267 Cb -0.15 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 3dk6 s THR 267 CO 0.08 0.05 -0.01 0.68 -0.69 0.00 0.00 174.62 174.72 3dk6 s VAL 268 N 1.64 1.11 -0.10 3.82 -7.23 0.80 -4.09 120.40 116.35 3dk6 s VAL 268 Ca 0.64 -2.04 -0.04 0.00 -1.81 0.00 0.00 61.98 58.73 3dk6 s VAL 268 Cb -0.34 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 3dk6 s VAL 268 CO 0.29 -0.31 0.05 0.00 -0.31 0.00 0.00 175.10 174.81 3dk6 s ALA 269 N -3.37 3.47 -0.12 1.32 0.00 -0.25 -0.17 121.76 122.65 3dk6 s ALA 269 Ca 0.29 -0.75 -0.00 0.00 0.00 0.00 0.00 51.96 51.49 3dk6 s ALA 269 Cb 0.06 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.54 3dk6 s ALA 269 CO 0.09 0.57 -0.09 0.08 0.00 0.00 0.00 175.76 176.41 3dk6 s VAL 270 N -0.86 1.17 -0.19 0.00 1.01 0.70 -0.78 120.40 121.45 3dk6 s VAL 270 Ca 0.13 -0.38 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 3dk6 s VAL 270 Cb -0.12 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3dk6 s VAL 270 CO 0.03 0.39 0.36 -0.75 0.00 0.00 0.00 175.10 175.13 3dk6 s LYS 271 N 1.65 4.19 0.30 2.72 2.20 0.44 -0.45 119.74 130.79 3dk6 s LYS 271 Ca 0.05 0.15 0.10 0.00 -0.36 0.00 0.00 55.97 55.91 3dk6 s LYS 271 Cb -0.13 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.63 3dk6 s LYS 271 CO -0.09 0.03 -0.07 0.99 -0.36 0.00 0.00 175.35 175.85 3dk6 s THR 272 N 1.10 2.76 0.31 3.43 2.01 0.12 -0.71 115.64 124.66 3dk6 s THR 272 Ca 0.18 -2.12 0.01 0.00 0.31 0.00 0.00 61.69 60.07 3dk6 s THR 272 Cb -0.14 -2.63 0.01 0.00 0.01 0.00 0.00 72.50 69.75 3dk6 s THR 272 CO 0.07 -0.31 0.10 -0.11 -0.69 0.00 0.00 174.62 173.67 3dk6 n LEU 273 N -0.82 0.00 0.00 4.42 7.94 -1.21 -4.53 117.00 122.80 3dk6 n LEU 273 Ca -0.05 -1.81 -0.21 0.00 -1.11 0.00 0.00 56.01 52.83 3dk6 n LEU 273 Cb 0.61 0.12 0.16 0.00 0.53 0.00 0.00 43.42 44.84 3dk6 n LEU 273 CO 0.41 -0.34 0.52 -1.84 -1.11 0.00 0.00 177.39 175.02 3dk6 n GLU 279 N -0.96 -1.80 0.07 1.96 0.28 -1.26 -4.66 120.64 114.28 3dk6 n GLU 279 Ca -0.08 -1.33 -0.12 0.00 -0.16 0.00 0.00 57.16 55.47 3dk6 n GLU 279 Cb 0.38 -1.07 -0.05 0.00 1.43 0.00 0.00 31.44 32.12 3dk6 n GLU 279 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3dk6 h VAL 280 N -2.00 0.65 -0.26 3.84 2.07 -2.06 -2.17 116.25 116.33 3dk6 h VAL 280 Ca -0.30 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 3dk6 h VAL 280 Cb 0.86 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3dk6 h VAL 280 CO 0.20 0.00 -0.19 -0.33 0.02 0.00 0.00 177.57 177.27 3dk6 h GLU 281 N -0.27 0.46 -0.41 1.57 4.39 -2.05 -1.14 114.58 117.12 3dk6 h GLU 281 Ca 0.04 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 3dk6 h GLU 281 Cb 0.30 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 3dk6 h GLU 281 CO -0.11 0.63 -0.08 0.93 -1.16 0.00 0.00 179.01 179.21 3dk6 h GLU 282 N 0.41 0.79 -0.52 2.33 5.08 -1.98 -2.28 114.58 118.41 3dk6 h GLU 282 Ca 0.07 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 3dk6 h GLU 282 Cb 0.57 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3dk6 h GLU 282 CO 0.04 0.91 0.21 0.35 -1.00 0.00 0.00 179.01 179.51 3dk6 h PHE 283 N 0.61 0.80 -0.14 4.33 3.57 -1.00 -1.91 116.94 123.20 3dk6 h PHE 283 Ca 0.11 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 3dk6 h PHE 283 Cb 0.61 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3dk6 h PHE 283 CO 0.05 0.66 -0.36 -0.07 -2.23 0.00 0.00 178.31 176.36 3dk6 h LEU 284 N 0.71 0.29 -0.48 0.59 3.38 -1.20 -2.63 115.31 115.98 3dk6 h LEU 284 Ca 0.17 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 3dk6 h LEU 284 Cb 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3dk6 h LEU 284 CO -0.01 0.64 -0.20 0.50 0.09 0.00 0.00 178.44 179.45 3dk6 h LYS 285 N 0.24 0.98 -0.55 1.13 3.64 -1.26 -2.19 116.57 118.57 3dk6 h LYS 285 Ca 0.03 -0.42 0.11 0.00 -1.27 0.00 0.00 60.65 59.10 3dk6 h LYS 285 Cb 0.76 -0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.45 3dk6 h LYS 285 CO 0.06 1.09 -0.05 0.93 -2.27 0.00 0.00 179.45 179.21 3dk6 h GLU 286 N 0.84 0.07 -0.72 1.90 5.08 -1.04 -0.73 114.58 119.98 3dk6 h GLU 286 Ca 0.11 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3dk6 h GLU 286 Cb 0.78 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 3dk6 h GLU 286 CO 0.06 0.05 0.29 0.00 -1.00 0.00 0.00 179.01 178.41 3dk6 h ALA 287 N 1.52 1.15 -0.38 3.43 0.00 -1.32 -2.08 119.26 121.58 3dk6 h ALA 287 Ca 0.28 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3dk6 h ALA 287 Cb 0.44 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3dk6 h ALA 287 CO -0.50 0.61 0.06 0.00 0.00 0.00 0.00 179.25 179.42 3dk6 h ALA 288 N 1.27 0.50 -0.57 0.00 0.00 -0.69 -2.97 119.26 116.80 3dk6 h ALA 288 Ca 0.24 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3dk6 h ALA 288 Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3dk6 h ALA 288 CO -0.02 0.21 0.19 0.28 0.00 0.00 0.00 179.25 179.90 3dk6 h VAL 289 N 0.47 1.24 0.00 0.00 2.07 -1.02 -3.04 116.25 115.96 3dk6 h VAL 289 Ca 0.11 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 3dk6 h VAL 289 Cb 0.36 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3dk6 h VAL 289 CO 0.01 0.30 -0.12 0.24 0.02 0.00 0.00 177.57 178.02 3dk6 h MET 290 N 0.80 0.00 0.00 1.57 2.86 -1.32 -1.46 114.93 117.38 3dk6 h MET 290 Ca 0.19 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 3dk6 h MET 290 Cb 0.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 3dk6 h MET 290 CO -0.01 0.12 -0.05 0.87 1.06 0.00 0.00 176.91 178.90 3dk6 h LYS 291 N 0.00 0.00 -0.01 1.72 1.57 -1.40 -2.61 116.57 115.84 3dk6 h LYS 291 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dk6 h LYS 291 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3dk6 h LYS 291 CO 0.02 0.05 -0.32 0.39 -0.57 0.00 0.00 179.45 179.02 3dk6 n GLU 292 N -3.76 1.23 -3.29 3.15 1.02 -0.55 -4.89 120.64 113.55 3dk6 n GLU 292 Ca -0.03 -0.92 -0.39 0.00 -0.02 0.00 0.00 57.16 55.80 3dk6 n GLU 292 Cb 0.15 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.01 3dk6 n GLU 292 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3dk6 s ILE 293 N -2.40 5.12 -0.34 -3.67 -1.09 -0.98 -5.02 121.20 112.81 3dk6 s ILE 293 Ca 0.23 0.83 0.01 0.00 -2.23 0.00 0.00 60.65 59.49 3dk6 s ILE 293 Cb 0.19 -3.80 0.14 0.00 -1.58 0.00 0.00 42.46 37.41 3dk6 s ILE 293 CO 0.51 0.16 0.28 -0.75 -1.23 0.00 0.00 174.94 173.91 3dk6 s LYS 294 N 1.86 0.51 -0.14 2.79 2.47 -1.26 -4.77 119.74 121.20 3dk6 s LYS 294 Ca 0.21 -0.87 -0.14 0.00 -1.56 0.00 0.00 55.97 53.61 3dk6 s LYS 294 Cb -0.15 -0.95 0.04 0.00 -1.46 0.00 0.00 37.83 35.31 3dk6 s LYS 294 CO 0.09 -1.16 0.40 -1.58 0.16 0.00 0.00 175.35 173.26 3dk6 s HIS 295 N 1.53 -0.43 0.65 4.03 2.46 -1.26 -5.04 115.29 117.22 3dk6 s HIS 295 Ca 0.15 1.04 0.37 0.00 0.47 0.00 0.00 55.06 57.09 3dk6 s HIS 295 Cb -0.18 0.15 2.05 0.00 -0.13 0.00 0.00 32.58 34.47 3dk6 s HIS 295 CO -0.10 -0.22 2.20 -1.00 -2.47 0.00 0.00 174.74 173.14 3dk6 h PRO 296 N 5.41 0.00 -0.14 2.88 0.13 -2.00 -2.49 132.00 135.79 3dk6 h PRO 296 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3dk6 h PRO 296 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3dk6 h PRO 296 CO 0.26 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.12 3dk6 n ASN 297 N -3.19 3.13 -4.20 1.44 4.13 -1.26 -4.89 115.26 110.42 3dk6 n ASN 297 Ca -0.02 -3.02 -0.29 0.00 1.68 0.00 0.00 54.58 52.93 3dk6 n ASN 297 Cb 0.20 -0.48 -0.16 0.00 -1.54 0.00 0.00 39.78 37.80 3dk6 n ASN 297 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3dk6 s LEU 298 N -2.79 2.00 -0.05 3.41 1.43 -0.94 -0.74 118.68 120.99 3dk6 s LEU 298 Ca 0.37 -0.46 -0.36 0.00 -1.03 0.00 0.00 54.13 52.65 3dk6 s LEU 298 Cb 0.30 -1.22 -0.14 0.00 0.03 0.00 0.00 46.19 45.17 3dk6 s LEU 298 CO 0.06 0.19 1.72 0.52 0.23 0.00 0.00 176.35 179.06 3dk6 n VAL 299 N 3.18 0.32 -2.85 -1.59 0.31 -1.12 -4.61 118.33 111.97 3dk6 n VAL 299 Ca -0.18 -0.06 -0.41 0.00 -0.01 0.00 0.00 64.34 63.68 3dk6 n VAL 299 Cb 0.52 -1.53 -0.04 0.00 -0.91 0.00 0.00 33.84 31.89 3dk6 n VAL 299 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3dk6 s GLN 300 N 2.81 4.42 0.30 5.55 2.00 -1.26 -4.83 119.66 128.65 3dk6 s GLN 300 Ca 0.90 1.14 -0.29 0.00 -2.00 0.00 0.00 55.36 55.11 3dk6 s GLN 300 Cb -0.80 -3.51 -0.10 0.00 0.80 0.00 0.00 33.01 29.40 3dk6 s GLN 300 CO 0.51 -0.16 1.33 -1.17 -0.50 0.00 0.00 175.29 175.30 3dk6 s LEU 301 N 1.51 4.42 -0.06 3.68 2.96 -1.26 -1.96 118.68 127.96 3dk6 s LEU 301 Ca 0.43 2.65 0.07 0.00 -0.22 0.00 0.00 54.13 57.06 3dk6 s LEU 301 Cb -0.18 -3.64 -0.09 0.00 0.50 0.00 0.00 46.19 42.77 3dk6 s LEU 301 CO 0.19 -0.56 0.04 0.18 -1.32 0.00 0.00 176.35 174.88 3dk6 n LEU 302 N 1.29 0.00 0.00 -0.68 4.77 0.11 -4.89 117.00 117.59 3dk6 n LEU 302 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3dk6 n LEU 302 Cb 0.42 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3dk6 n LEU 302 CO 0.59 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3dk6 n GLY 303 N 2.49 0.67 3.05 -0.72 0.00 -0.90 -4.96 105.19 104.82 3dk6 n GLY 303 Ca -0.11 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 3dk6 n GLY 303 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dk6 s VAL 304 N -2.00 0.53 -0.38 1.61 -7.23 -0.35 -0.45 120.40 112.13 3dk6 s VAL 304 Ca 0.00 -0.99 0.03 0.00 -1.81 0.00 0.00 61.98 59.21 3dk6 s VAL 304 Cb 0.00 -0.58 0.11 0.00 0.56 0.00 0.00 36.38 36.47 3dk6 s VAL 304 CO 0.00 -0.33 0.11 0.00 -0.31 0.00 0.00 175.10 174.57 3dk6 n THR 306 N 4.13 0.17 -0.02 0.00 -2.24 -1.26 -1.81 114.28 113.26 3dk6 n THR 306 Ca 0.03 -0.46 -0.16 0.00 -2.27 0.00 0.00 64.05 61.19 3dk6 n THR 306 Cb 0.40 1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 69.63 3dk6 n THR 306 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3dk6 h ARG 307 N 0.00 0.29 -3.50 -0.78 2.47 -1.93 -3.47 114.38 107.46 3dk6 h ARG 307 Ca 0.00 -0.27 -0.13 0.00 -1.26 0.00 0.00 59.98 58.31 3dk6 h ARG 307 Cb 0.24 0.07 -0.19 0.00 -1.65 0.00 0.00 29.97 28.43 3dk6 h ARG 307 CO 0.00 0.95 -0.45 -1.83 0.56 0.00 0.00 179.97 179.21 3dk6 s GLU 308 N -3.36 0.56 0.59 0.04 1.03 -1.26 -5.16 118.70 111.14 3dk6 s GLU 308 Ca -0.15 -0.46 -0.19 0.00 0.03 0.00 0.00 54.97 54.20 3dk6 s GLU 308 Cb 0.03 0.23 -0.04 0.00 -0.80 0.00 0.00 34.13 33.55 3dk6 s GLU 308 CO 0.77 -0.14 1.23 -2.14 -1.33 0.00 0.00 175.26 173.65 3dk6 s PRO 309 N -1.76 2.97 0.32 -4.83 0.02 -1.26 -4.29 135.00 126.17 3dk6 s PRO 309 Ca -0.12 1.89 -0.27 0.00 0.02 0.00 0.00 61.00 62.53 3dk6 s PRO 309 Cb -0.05 -1.97 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 3dk6 s PRO 309 CO 0.00 -1.22 0.99 -2.14 -0.33 0.00 0.00 177.00 174.30 3dk6 s PRO 310 N -3.27 4.54 0.10 5.54 0.02 -1.26 -5.15 135.00 135.52 3dk6 s PRO 310 Ca 0.77 1.48 -0.20 0.00 0.02 0.00 0.00 61.00 63.06 3dk6 s PRO 310 Cb -0.32 -2.88 -0.07 0.00 0.02 0.00 0.00 34.50 31.25 3dk6 s PRO 310 CO 0.35 0.21 0.61 -0.06 -0.33 0.00 0.00 177.00 177.78 3dk6 s PHE 311 N -1.48 3.82 0.00 6.54 0.40 -1.26 -4.93 117.98 121.06 3dk6 s PHE 311 Ca 0.50 1.34 0.07 0.00 -0.60 0.00 0.00 56.93 58.24 3dk6 s PHE 311 Cb -0.23 -2.55 -0.03 0.00 0.51 0.00 0.00 43.02 40.73 3dk6 s PHE 311 CO 0.29 0.57 -0.23 0.71 0.70 0.00 0.00 175.22 177.25 3dk6 s TYR 312 N -1.14 2.42 -0.20 0.36 4.12 -0.75 -3.33 117.35 118.85 3dk6 s TYR 312 Ca 0.31 -0.36 0.00 0.00 0.02 0.00 0.00 57.07 57.04 3dk6 s TYR 312 Cb -0.20 -1.49 0.02 0.00 -1.52 0.00 0.00 41.96 38.77 3dk6 s TYR 312 CO 0.20 0.09 -0.16 0.42 0.02 0.00 0.00 175.55 176.12 3dk6 s ILE 313 N -0.73 2.30 -0.21 2.71 1.01 0.11 -1.27 121.20 125.12 3dk6 s ILE 313 Ca 0.11 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 3dk6 s ILE 313 Cb -0.10 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 3dk6 s ILE 313 CO 0.01 0.45 -0.01 -0.63 0.00 0.00 0.00 174.94 174.76 3dk6 s ILE 314 N 1.30 3.76 0.34 2.92 1.01 0.41 -0.42 121.20 130.51 3dk6 s ILE 314 Ca 0.04 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.35 3dk6 s ILE 314 Cb -0.14 -2.70 -0.06 0.00 0.01 0.00 0.00 42.46 39.57 3dk6 s ILE 314 CO -0.10 0.42 0.07 0.42 0.00 0.00 0.00 174.94 175.75 3dk6 s THR 315 N 1.18 1.07 0.70 2.92 -4.23 0.04 0.06 115.64 117.39 3dk6 s THR 315 Ca 0.03 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.38 3dk6 s THR 315 Cb -0.15 -2.71 0.02 0.00 1.34 0.00 0.00 72.50 71.01 3dk6 s THR 315 CO 0.01 0.00 1.25 -1.83 -0.54 0.00 0.00 174.62 173.51 3dk6 s GLU 316 N -3.87 2.23 -0.21 3.99 -1.05 -0.83 -1.09 118.70 117.88 3dk6 s GLU 316 Ca 0.34 1.92 -0.12 0.00 -0.15 0.00 0.00 54.97 56.97 3dk6 s GLU 316 Cb 0.08 -1.82 -0.05 0.00 -0.44 0.00 0.00 34.13 31.89 3dk6 s GLU 316 CO 0.15 -1.81 0.20 0.12 0.95 0.00 0.00 175.26 174.87 3dk6 s PHE 317 N -1.71 3.38 -0.44 4.83 5.36 -1.26 -4.17 117.98 123.98 3dk6 s PHE 317 Ca 0.79 0.38 -0.15 0.00 -0.96 0.00 0.00 56.93 56.98 3dk6 s PHE 317 Cb -0.34 -2.27 0.05 0.00 -0.34 0.00 0.00 43.02 40.13 3dk6 s PHE 317 CO 0.43 0.18 0.35 -1.64 -1.46 0.00 0.00 175.22 173.08 3dk6 s MET 318 N 0.71 2.96 0.40 10.12 -1.94 -1.26 -4.99 119.30 125.29 3dk6 s MET 318 Ca 0.11 -1.22 0.10 0.00 -1.71 0.00 0.00 55.69 52.96 3dk6 s MET 318 Cb -0.13 -4.05 0.88 0.00 2.01 0.00 0.00 34.83 33.55 3dk6 s MET 318 CO 0.02 -0.91 1.97 1.79 -0.01 0.00 0.00 175.02 177.89 3dk6 h THR 319 N 5.72 0.97 -0.18 2.05 1.35 -1.91 -2.64 112.91 118.27 3dk6 h THR 319 Ca -0.28 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3dk6 h THR 319 Cb 1.11 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 3dk6 h THR 319 CO 0.81 0.11 0.00 -1.22 -0.25 0.00 0.00 175.52 174.96 3dk6 n TYR 320 N -4.48 0.22 -4.29 4.73 4.02 -0.16 -5.04 117.16 112.16 3dk6 n TYR 320 Ca 0.10 -0.11 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 3dk6 n TYR 320 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.60 3dk6 n TYR 320 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dk6 n GLY 321 N 1.29 -0.30 3.79 2.72 0.00 -1.00 -4.73 105.19 106.96 3dk6 n GLY 321 Ca 0.17 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 3dk6 n GLY 321 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dk6 s ASN 322 N -4.00 6.17 0.31 1.61 2.20 -1.26 -0.41 114.94 119.56 3dk6 s ASN 322 Ca 0.00 2.05 0.04 0.00 -0.94 0.00 0.00 52.86 54.00 3dk6 s ASN 322 Cb 0.00 -2.57 0.50 0.00 -2.00 0.00 0.00 41.25 37.18 3dk6 s ASN 322 CO 0.00 -0.90 1.78 0.25 -2.94 0.00 0.00 177.10 175.29 3dk6 h LEU 323 N 1.57 0.46 0.36 3.54 5.85 -0.25 -2.29 115.31 124.55 3dk6 h LEU 323 Ca -0.50 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.09 3dk6 h LEU 323 Cb 1.24 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 3dk6 h LEU 323 CO 0.59 0.65 -0.30 0.25 -0.34 0.00 0.00 178.44 179.29 3dk6 h LEU 324 N 0.43 -0.79 -1.01 2.25 5.85 -1.75 0.36 115.31 120.64 3dk6 h LEU 324 Ca 0.07 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 3dk6 h LEU 324 Cb 0.55 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3dk6 h LEU 324 CO 0.04 -0.44 -0.08 0.44 -0.34 0.00 0.00 178.44 178.05 3dk6 h ASP 325 N -0.67 0.60 -0.45 1.25 3.32 -1.89 -2.16 116.42 116.42 3dk6 h ASP 325 Ca -0.03 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 56.90 3dk6 h ASP 325 Cb 0.59 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 3dk6 h ASP 325 CO -0.02 0.72 0.24 0.22 -1.72 0.00 0.00 179.24 178.68 3dk6 h TYR 326 N 0.57 0.44 -0.46 4.55 3.20 -1.12 -1.73 116.97 122.41 3dk6 h TYR 326 Ca 0.11 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.87 3dk6 h TYR 326 Cb 0.49 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3dk6 h TYR 326 CO 0.02 0.23 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.48 3dk6 h LEU 327 N 0.47 0.96 -1.12 2.82 3.38 -0.70 -1.93 115.31 119.19 3dk6 h LEU 327 Ca 0.19 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 3dk6 h LEU 327 Cb 0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3dk6 h LEU 327 CO -0.12 1.14 -0.15 0.03 0.09 0.00 0.00 178.44 179.42 3dk6 h ARG 328 N 0.81 0.44 -0.02 1.13 3.08 -1.22 -3.25 114.38 115.35 3dk6 h ARG 328 Ca 0.11 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3dk6 h ARG 328 Cb 0.78 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.79 3dk6 h ARG 328 CO 0.07 0.59 -0.34 0.39 -1.07 0.00 0.00 179.97 179.60 3dk6 n GLU 329 N -4.20 1.50 -1.36 0.04 1.02 -0.67 -5.02 120.64 111.95 3dk6 n GLU 329 Ca 0.00 -1.12 -0.30 0.00 -0.02 0.00 0.00 57.16 55.72 3dk6 n GLU 329 Cb 0.33 -1.41 0.10 0.00 -0.02 0.00 0.00 31.44 30.44 3dk6 n GLU 329 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dk6 s ASN 331 N -3.59 6.56 0.55 0.00 3.84 -1.26 -4.94 114.94 116.10 3dk6 s ASN 331 Ca 0.61 0.29 0.35 0.00 0.21 0.00 0.00 52.86 54.32 3dk6 s ASN 331 Cb -0.16 -2.50 1.51 0.00 -0.55 0.00 0.00 41.25 39.55 3dk6 s ASN 331 CO 0.56 -1.14 2.03 0.03 -2.79 0.00 0.00 177.10 175.78 3dk6 h ARG 332 N 9.14 0.00 -0.02 0.43 3.08 -1.95 0.18 114.38 125.24 3dk6 h ARG 332 Ca -0.24 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.66 3dk6 h ARG 332 Cb 1.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 3dk6 h ARG 332 CO 1.07 0.00 -0.68 1.96 -1.07 0.00 0.00 179.97 181.25 3dk6 h GLN 333 N 0.00 0.11 0.00 0.04 1.08 -1.99 -3.25 115.11 111.09 3dk6 h GLN 333 Ca 0.00 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3dk6 h GLN 333 Cb 0.42 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3dk6 h GLN 333 CO 0.00 0.75 -0.01 1.49 -0.95 0.00 0.00 178.83 180.11 3dk6 h GLU 334 N 0.07 0.00 -4.77 1.46 4.81 -1.69 -3.39 114.58 111.07 3dk6 h GLU 334 Ca -0.01 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.50 3dk6 h GLU 334 Cb 1.21 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.47 3dk6 h GLU 334 CO 0.10 0.72 1.95 0.28 -0.73 0.00 0.00 179.01 181.33 3dk6 n VAL 335 N -4.66 4.08 -2.34 0.32 0.31 0.51 -4.87 118.33 111.69 3dk6 n VAL 335 Ca -0.07 -4.27 -0.20 0.00 -0.01 0.00 0.00 64.34 59.78 3dk6 n VAL 335 Cb 0.35 -2.43 0.12 0.00 -0.91 0.00 0.00 33.84 30.96 3dk6 n VAL 335 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3dk6 n SER 336 N 6.21 0.84 -0.32 4.52 3.41 -1.23 -4.62 113.62 122.44 3dk6 n SER 336 Ca 0.43 -1.79 0.04 0.00 -0.26 0.00 0.00 58.87 57.29 3dk6 n SER 336 Cb 0.42 -0.61 0.19 0.00 -0.26 0.00 0.00 64.21 63.95 3dk6 n SER 336 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dk6 h ALA 337 N -0.91 1.28 -0.28 7.33 0.00 -1.93 -0.46 119.26 124.30 3dk6 h ALA 337 Ca -0.29 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 3dk6 h ALA 337 Cb 0.99 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3dk6 h ALA 337 CO 0.28 0.16 -0.20 -0.24 0.00 0.00 0.00 179.25 179.26 3dk6 h VAL 338 N 0.88 1.25 -0.51 0.00 3.04 -1.96 -1.87 116.25 117.08 3dk6 h VAL 338 Ca 0.43 -1.17 -0.11 0.00 -1.01 0.00 0.00 66.70 64.84 3dk6 h VAL 338 Cb 0.37 1.26 -0.02 0.00 -2.01 0.00 0.00 31.29 30.90 3dk6 h VAL 338 CO -0.24 0.38 -0.09 0.58 -1.01 0.00 0.00 177.57 177.18 3dk6 h VAL 339 N 0.45 1.27 -0.85 1.51 2.07 -1.62 -1.03 116.25 118.05 3dk6 h VAL 339 Ca 0.07 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.38 3dk6 h VAL 339 Cb 0.60 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3dk6 h VAL 339 CO 0.04 0.43 0.56 -0.07 0.02 0.00 0.00 177.57 178.55 3dk6 h LEU 340 N 0.82 0.95 -0.68 2.57 3.38 -0.78 -0.53 115.31 121.05 3dk6 h LEU 340 Ca 0.13 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3dk6 h LEU 340 Cb 0.65 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3dk6 h LEU 340 CO 0.04 0.68 0.20 -0.07 0.09 0.00 0.00 178.44 179.38 3dk6 h LEU 341 N 1.12 1.00 -0.61 1.67 3.38 -1.21 -2.14 115.31 118.52 3dk6 h LEU 341 Ca 0.32 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3dk6 h LEU 341 Cb -0.09 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.36 3dk6 h LEU 341 CO -0.08 0.95 0.39 0.22 0.09 0.00 0.00 178.44 180.01 3dk6 h TYR 342 N 0.99 0.73 -0.43 1.13 3.20 -0.45 0.40 116.97 122.55 3dk6 h TYR 342 Ca 0.22 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.97 3dk6 h TYR 342 Cb 0.32 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3dk6 h TYR 342 CO 0.02 0.45 -0.25 0.52 -1.64 0.00 0.00 178.16 177.26 3dk6 h MET 343 N 0.78 0.92 -0.54 1.82 2.86 -1.03 -1.58 114.93 118.16 3dk6 h MET 343 Ca 0.23 -0.42 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 3dk6 h MET 343 Cb -0.05 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3dk6 h MET 343 CO -0.07 1.08 0.12 0.00 1.06 0.00 0.00 176.91 179.10 3dk6 h ALA 344 N 0.82 1.18 -0.63 6.32 0.00 -1.15 -1.52 119.26 124.28 3dk6 h ALA 344 Ca 0.09 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3dk6 h ALA 344 Cb 0.83 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3dk6 h ALA 344 CO 0.07 0.55 0.17 1.15 0.00 0.00 0.00 179.25 181.19 3dk6 h THR 345 N 0.81 1.25 -0.22 0.00 2.02 -0.73 -1.57 112.91 114.47 3dk6 h THR 345 Ca 0.17 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 3dk6 h THR 345 Cb 0.32 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3dk6 h THR 345 CO 0.00 0.34 0.04 1.56 0.37 0.00 0.00 175.52 177.83 3dk6 h GLN 346 N 0.92 0.36 -0.33 6.66 4.20 -1.00 -1.89 115.11 124.03 3dk6 h GLN 346 Ca 0.20 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 3dk6 h GLN 346 Cb 0.34 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3dk6 h GLN 346 CO -0.00 0.49 0.13 0.82 -0.67 0.00 0.00 178.83 179.60 3dk6 h ILE 347 N 0.16 1.19 -0.12 2.54 2.04 -1.25 -2.53 117.51 119.54 3dk6 h ILE 347 Ca 0.07 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 3dk6 h ILE 347 Cb 0.31 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3dk6 h ILE 347 CO 0.00 0.21 -0.12 0.77 0.00 0.00 0.00 178.15 179.01 3dk6 h SER 348 N 0.39 0.17 -0.25 1.72 4.64 -1.29 -1.45 113.55 117.47 3dk6 h SER 348 Ca 0.11 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 3dk6 h SER 348 Cb 0.20 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 3dk6 h SER 348 CO -0.01 0.32 0.13 -1.28 -0.87 0.00 0.00 176.83 175.12 3dk6 h SER 349 N 0.18 0.32 -0.76 4.97 0.87 -1.08 0.76 113.55 118.81 3dk6 h SER 349 Ca 0.04 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 3dk6 h SER 349 Cb 0.33 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 3dk6 h SER 349 CO 0.02 0.34 0.37 0.00 -0.53 0.00 0.00 176.83 177.03 3dk6 h ALA 350 N 1.00 1.20 -0.03 6.23 0.00 -1.00 -1.91 119.26 124.74 3dk6 h ALA 350 Ca 0.09 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3dk6 h ALA 350 Cb 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3dk6 h ALA 350 CO -0.01 0.61 -0.78 0.52 0.00 0.00 0.00 179.25 179.59 3dk6 h MET 351 N 1.09 0.27 -0.74 0.00 2.86 -1.09 -1.86 114.93 115.47 3dk6 h MET 351 Ca 0.27 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3dk6 h MET 351 Cb 0.11 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 3dk6 h MET 351 CO -0.03 0.92 0.31 1.49 1.06 0.00 0.00 176.91 180.65 3dk6 h GLU 352 N 0.17 1.08 -0.26 1.72 4.81 -0.63 -0.58 114.58 120.89 3dk6 h GLU 352 Ca -0.03 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 3dk6 h GLU 352 Cb 1.36 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3dk6 h GLU 352 CO 0.12 0.86 0.14 -0.92 -0.73 0.00 0.00 179.01 178.48 3dk6 h TYR 353 N 1.06 0.36 -0.75 0.92 3.20 -1.12 -0.19 116.97 120.45 3dk6 h TYR 353 Ca 0.25 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 3dk6 h TYR 353 Cb 0.17 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 3dk6 h TYR 353 CO 0.02 0.32 0.33 -0.07 -1.64 0.00 0.00 178.16 177.11 3dk6 h LEU 354 N 0.30 1.01 -0.59 2.82 3.38 -1.13 0.58 115.31 121.67 3dk6 h LEU 354 Ca 0.09 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3dk6 h LEU 354 Cb 0.08 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3dk6 h LEU 354 CO -0.01 0.88 0.39 -0.08 0.09 0.00 0.00 178.44 179.71 3dk6 h GLU 355 N 1.07 0.77 -0.50 1.13 4.81 -1.00 0.61 114.58 121.47 3dk6 h GLU 355 Ca 0.25 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 3dk6 h GLU 355 Cb 0.17 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3dk6 h GLU 355 CO -0.03 0.51 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.52 3dk6 h LYS 356 N 0.79 0.86 -0.65 1.92 3.64 -0.61 -3.24 116.57 119.28 3dk6 h LYS 356 Ca 0.22 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3dk6 h LYS 356 Cb -0.08 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3dk6 h LYS 356 CO -0.06 0.88 0.00 1.63 -2.27 0.00 0.00 179.45 179.63 3dk6 n LYS 357 N -4.19 3.45 -3.58 1.90 4.76 0.16 -4.95 118.16 115.71 3dk6 n LYS 357 Ca 0.02 -2.59 -0.21 0.00 -2.87 0.00 0.00 58.31 52.67 3dk6 n LYS 357 Cb 0.33 -1.83 0.07 0.00 -1.84 0.00 0.00 35.03 31.76 3dk6 n LYS 357 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3dk6 n ASN 358 N 1.03 -3.42 -4.47 4.39 3.02 -0.70 -4.96 115.26 110.15 3dk6 n ASN 358 Ca 0.23 -0.65 -0.28 0.00 -0.03 0.00 0.00 54.58 53.85 3dk6 n ASN 358 Cb 0.81 -4.77 -0.11 0.00 -0.61 0.00 0.00 39.78 35.09 3dk6 n ASN 358 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3dk6 s PHE 359 N -3.40 2.45 0.00 3.10 0.40 0.12 -1.65 117.98 119.00 3dk6 s PHE 359 Ca 0.24 -0.30 0.06 0.00 -0.60 0.00 0.00 56.93 56.32 3dk6 s PHE 359 Cb -0.11 -1.26 -0.02 0.00 0.51 0.00 0.00 43.02 42.15 3dk6 s PHE 359 CO 0.76 0.44 -0.17 -1.50 0.70 0.00 0.00 175.22 175.44 3dk6 s ILE 360 N -1.40 1.38 -0.18 0.64 2.07 -0.60 -4.28 121.20 118.83 3dk6 s ILE 360 Ca 0.19 -0.83 -0.15 0.00 -1.41 0.00 0.00 60.65 58.46 3dk6 s ILE 360 Cb -0.09 -1.16 -0.11 0.00 0.13 0.00 0.00 42.46 41.23 3dk6 s ILE 360 CO 0.10 0.32 -0.04 1.57 -1.91 0.00 0.00 174.94 174.98 3dk6 n HIS 361 N 2.47 0.84 -0.85 3.50 -0.00 -1.26 -1.90 115.22 118.01 3dk6 n HIS 361 Ca -0.15 0.36 0.00 0.00 -0.00 0.00 0.00 57.72 57.93 3dk6 n HIS 361 Cb 0.54 -0.91 0.00 0.00 -0.00 0.00 0.00 29.99 29.62 3dk6 n HIS 361 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3dk6 n ARG 362 N -4.50 -0.08 -2.73 1.57 1.74 -1.26 -4.71 116.66 106.68 3dk6 n ARG 362 Ca -0.22 0.02 -0.04 0.00 -0.77 0.00 0.00 57.85 56.85 3dk6 n ARG 362 Cb 0.50 -3.23 0.08 0.00 -1.02 0.00 0.00 32.46 28.79 3dk6 n ARG 362 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3dk6 n ASP 363 N -0.04 0.25 -4.67 0.55 2.03 -1.26 -5.05 116.55 108.35 3dk6 n ASP 363 Ca 0.00 -2.31 -0.43 0.00 0.52 0.00 0.00 54.79 52.57 3dk6 n ASP 363 Cb 0.02 0.03 -0.02 0.00 -0.72 0.00 0.00 41.12 40.43 3dk6 n ASP 363 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3dk6 s LEU 364 N -3.61 4.20 0.08 -2.67 2.96 -1.26 -4.77 118.68 113.62 3dk6 s LEU 364 Ca 0.22 1.68 -0.27 0.00 -0.22 0.00 0.00 54.13 55.54 3dk6 s LEU 364 Cb 0.40 -3.55 0.08 0.00 0.50 0.00 0.00 46.19 43.63 3dk6 s LEU 364 CO -0.05 -0.67 0.88 0.00 -1.32 0.00 0.00 176.35 175.19 3dk6 s ALA 365 N 2.96 -1.72 0.41 5.97 0.00 -1.26 -4.66 121.76 123.45 3dk6 s ALA 365 Ca 0.53 0.58 0.08 0.00 0.00 0.00 0.00 51.96 53.16 3dk6 s ALA 365 Cb -0.21 0.56 0.85 0.00 0.00 0.00 0.00 23.12 24.31 3dk6 s ALA 365 CO 0.16 -0.84 2.01 0.00 0.00 0.00 0.00 175.76 177.08 3dk6 h ALA 366 N 2.00 1.64 0.00 0.00 0.00 -1.93 -1.84 119.26 119.13 3dk6 h ALA 366 Ca -0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3dk6 h ALA 366 Cb 1.24 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3dk6 h ALA 366 CO 0.29 0.29 -0.05 0.07 0.00 0.00 0.00 179.25 179.84 3dk6 h ARG 367 N 0.41 0.00 -0.47 0.00 0.11 -1.95 -2.57 114.38 109.91 3dk6 h ARG 367 Ca 0.10 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.09 3dk6 h ARG 367 Cb 0.11 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.13 3dk6 h ARG 367 CO -0.01 0.05 0.08 0.09 0.10 0.00 0.00 179.97 180.28 3dk6 n ASN 368 N -3.40 4.27 -4.41 0.08 3.02 -0.70 -4.72 115.26 109.41 3dk6 n ASN 368 Ca -0.02 -3.18 -0.30 0.00 -0.03 0.00 0.00 54.58 51.05 3dk6 n ASN 368 Cb 0.19 -0.64 -0.13 0.00 -0.61 0.00 0.00 39.78 38.59 3dk6 n ASN 368 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dk6 s LEU 370 N -1.41 2.16 -0.12 0.00 1.43 0.82 -0.07 118.68 121.49 3dk6 s LEU 370 Ca 0.13 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 3dk6 s LEU 370 Cb -0.10 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 3dk6 s LEU 370 CO 0.04 0.23 -0.13 -0.69 0.23 0.00 0.00 176.35 176.03 3dk6 s VAL 371 N -0.79 3.06 0.00 -1.59 1.01 0.46 -0.84 120.40 121.71 3dk6 s VAL 371 Ca 0.10 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3dk6 s VAL 371 Cb -0.10 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 34.00 3dk6 s VAL 371 CO 0.02 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3dk6 n GLY 372 N 3.44 3.08 3.75 4.51 0.00 0.30 -0.99 105.19 119.28 3dk6 n GLY 372 Ca -0.18 -2.13 -0.36 0.00 0.00 0.00 0.00 46.02 43.34 3dk6 n GLY 372 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dk6 s GLU 373 N -1.13 2.89 -1.31 1.61 8.01 -1.26 -3.70 118.70 123.82 3dk6 s GLU 373 Ca 0.00 1.92 -0.08 0.00 0.01 0.00 0.00 54.97 56.82 3dk6 s GLU 373 Cb 0.00 -1.94 0.01 0.00 -4.31 0.00 0.00 34.13 27.88 3dk6 s GLU 373 CO 0.00 -1.29 1.04 0.09 0.01 0.00 0.00 175.26 175.11 3dk6 n ASN 374 N -1.60 -6.13 -2.21 -0.19 3.02 -1.26 -2.75 115.26 104.14 3dk6 n ASN 374 Ca 0.14 -0.47 -0.21 0.00 -0.03 0.00 0.00 54.58 54.01 3dk6 n ASN 374 Cb 0.49 -4.78 -0.03 0.00 -0.61 0.00 0.00 39.78 34.85 3dk6 n ASN 374 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3dk6 n HIS 375 N -4.82 -0.77 -2.14 3.10 8.25 -1.24 -4.95 115.22 112.64 3dk6 n HIS 375 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 3dk6 n HIS 375 Cb 0.57 -3.86 -0.03 0.00 1.12 0.00 0.00 29.99 27.79 3dk6 n HIS 375 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3dk6 s LEU 376 N -5.74 4.33 -0.09 2.41 2.96 -1.11 -4.76 118.68 116.69 3dk6 s LEU 376 Ca 0.00 2.23 0.04 0.00 -0.22 0.00 0.00 54.13 56.18 3dk6 s LEU 376 Cb 0.00 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.13 3dk6 s LEU 376 CO 0.00 -0.76 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.36 3dk6 s VAL 377 N 2.37 1.88 -0.02 1.68 1.01 -1.26 -0.54 120.40 125.53 3dk6 s VAL 377 Ca 0.66 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.76 3dk6 s VAL 377 Cb -0.34 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 3dk6 s VAL 377 CO 0.28 0.52 -0.16 -0.54 0.00 0.00 0.00 175.10 175.21 3dk6 s LYS 378 N 0.30 1.37 -0.02 2.72 1.02 -0.02 -4.69 119.74 120.42 3dk6 s LYS 378 Ca -0.15 -0.56 -0.30 0.00 0.02 0.00 0.00 55.97 54.97 3dk6 s LYS 378 Cb -0.17 -1.29 -0.03 0.00 -0.52 0.00 0.00 37.83 35.82 3dk6 s LYS 378 CO 0.07 0.31 1.05 0.08 -0.92 0.00 0.00 175.35 175.95 3dk6 s VAL 379 N -0.26 4.62 0.17 3.17 1.01 0.08 -0.13 120.40 129.06 3dk6 s VAL 379 Ca 0.04 1.88 -0.32 0.00 0.00 0.00 0.00 61.98 63.59 3dk6 s VAL 379 Cb -0.07 -4.21 -0.11 0.00 0.00 0.00 0.00 36.38 31.99 3dk6 s VAL 379 CO -0.00 0.10 1.71 0.00 0.00 0.00 0.00 175.10 176.90 3dk6 s ALA 380 N 1.39 3.84 -0.12 5.51 0.00 -0.50 -2.78 121.76 129.10 3dk6 s ALA 380 Ca 0.53 1.48 0.15 0.00 0.00 0.00 0.00 51.96 54.12 3dk6 s ALA 380 Cb -0.22 -3.69 0.36 0.00 0.00 0.00 0.00 23.12 19.56 3dk6 s ALA 380 CO 0.25 -0.97 1.17 -0.40 0.00 0.00 0.00 175.76 175.81 3dk6 n ASP 381 N 4.51 1.45 0.16 0.00 5.75 -1.26 -4.77 116.55 122.38 3dk6 n ASP 381 Ca 0.16 -3.05 0.08 0.00 -0.01 0.00 0.00 54.79 51.97 3dk6 n ASP 381 Cb 0.37 -0.42 0.07 0.00 -1.03 0.00 0.00 41.12 40.12 3dk6 n ASP 381 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 3dk6 h PHE 382 N 0.73 0.00 -0.34 2.11 0.04 -1.94 -3.30 116.94 114.24 3dk6 h PHE 382 Ca -0.06 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.56 3dk6 h PHE 382 Cb 1.29 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.35 3dk6 h PHE 382 CO 0.41 0.18 -0.05 0.41 -0.60 0.00 0.00 178.31 178.65 3dk6 n GLY 383 N 1.18 4.74 3.78 -1.45 0.00 -1.26 -4.74 105.19 107.43 3dk6 n GLY 383 Ca 0.01 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 3dk6 n GLY 383 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dk6 s LEU 384 N -3.17 3.85 0.11 0.99 1.43 -1.25 -4.90 118.68 115.75 3dk6 s LEU 384 Ca 0.44 2.15 0.07 0.00 -1.03 0.00 0.00 54.13 55.76 3dk6 s LEU 384 Cb 0.39 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 42.10 3dk6 s LEU 384 CO 0.02 -1.02 -0.17 -0.44 0.23 0.00 0.00 176.35 174.97 3dk6 s SER 385 N -1.71 2.16 -0.12 2.29 0.01 -0.80 -4.91 113.70 110.63 3dk6 s SER 385 Ca 0.69 -0.73 -0.28 0.00 1.31 0.00 0.00 55.95 56.94 3dk6 s SER 385 Cb -0.23 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 65.89 3dk6 s SER 385 CO 0.27 -0.05 0.95 -0.13 0.41 0.00 0.00 173.24 174.69 3dk6 s ARG 386 N -2.22 4.40 -0.30 12.44 0.52 -1.26 -1.56 118.95 130.97 3dk6 s ARG 386 Ca 0.06 1.27 -0.10 0.00 -0.52 0.00 0.00 55.73 56.45 3dk6 s ARG 386 Cb -0.08 -3.54 0.14 0.00 0.52 0.00 0.00 34.95 31.99 3dk6 s ARG 386 CO 0.04 -0.29 0.71 -1.17 0.02 0.00 0.00 175.30 174.60 3dk6 s LEU 387 N 1.95 -1.08 0.09 2.53 2.96 -0.66 -4.92 118.68 119.55 3dk6 s LEU 387 Ca 0.45 1.34 -0.35 0.00 -0.22 0.00 0.00 54.13 55.35 3dk6 s LEU 387 Cb -0.18 2.17 -0.14 0.00 0.50 0.00 0.00 46.19 48.54 3dk6 s LEU 387 CO 0.17 -0.21 1.58 0.23 -1.32 0.00 0.00 176.35 176.80 3dk6 n MET 388 N 5.37 1.89 -1.64 1.98 2.81 -1.26 -3.85 117.12 122.42 3dk6 n MET 388 Ca -0.10 0.69 -0.45 0.00 -1.81 0.00 0.00 57.70 56.02 3dk6 n MET 388 Cb 0.50 -2.43 -0.04 0.00 -0.71 0.00 0.00 33.22 30.54 3dk6 n MET 388 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3dk6 n THR 389 N 3.53 0.59 0.00 2.03 -1.04 -1.26 -0.63 114.28 117.50 3dk6 n THR 389 Ca 0.19 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3dk6 n THR 389 Cb 0.26 -2.16 0.00 0.00 -1.82 0.00 0.00 70.33 66.61 3dk6 n THR 389 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dk6 n GLY 390 N 4.84 1.38 3.78 3.41 0.00 -1.26 -5.09 105.19 112.26 3dk6 n GLY 390 Ca 0.24 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3dk6 n GLY 390 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dk6 s ASP 391 N -0.39 4.27 0.00 1.61 -0.00 0.19 -4.98 116.67 117.38 3dk6 s ASP 391 Ca 0.00 1.38 0.00 0.00 -0.00 0.00 0.00 52.55 53.93 3dk6 s ASP 391 Cb 0.00 -2.10 0.00 0.00 -0.00 0.00 0.00 42.92 40.82 3dk6 s ASP 391 CO 0.00 -2.12 0.00 0.35 -0.00 0.00 0.00 175.17 173.40 3dk6 n THR 392 N -3.54 0.00 -3.50 -1.27 -2.24 -1.26 -4.53 114.28 97.94 3dk6 n THR 392 Ca 0.07 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.81 3dk6 n THR 392 Cb 0.56 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.72 3dk6 n THR 392 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3dk6 s THR 394 N 1.62 -0.82 0.66 4.28 2.01 -1.26 -4.94 115.64 117.19 3dk6 s THR 394 Ca 0.00 0.04 -0.17 0.00 0.31 0.00 0.00 61.69 61.87 3dk6 s THR 394 Cb 0.00 -0.86 -0.00 0.00 0.01 0.00 0.00 72.50 71.65 3dk6 s THR 394 CO 0.00 0.00 1.21 0.00 -0.69 0.00 0.00 174.62 175.14 3dk6 s ALA 395 N 2.74 2.35 0.64 7.40 0.00 -0.17 -4.98 121.76 129.74 3dk6 s ALA 395 Ca 0.04 0.95 -0.18 0.00 0.00 0.00 0.00 51.96 52.77 3dk6 s ALA 395 Cb -0.13 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 3dk6 s ALA 395 CO -0.17 -1.51 1.28 -3.38 0.00 0.00 0.00 175.76 171.98 3dk6 s HIS 396 N -1.78 2.12 0.28 0.00 -3.43 -1.26 -4.93 115.29 106.29 3dk6 s HIS 396 Ca 0.76 1.49 -0.30 0.00 -0.80 0.00 0.00 55.06 56.21 3dk6 s HIS 396 Cb -0.30 -3.67 -0.11 0.00 -1.43 0.00 0.00 32.58 27.07 3dk6 s HIS 396 CO 0.39 -2.83 1.61 0.00 -2.00 0.00 0.00 174.74 171.92 3dk6 s ALA 397 N -1.42 3.78 -0.14 -1.38 0.00 -1.26 -2.41 121.76 118.92 3dk6 s ALA 397 Ca 0.82 1.57 0.00 0.00 0.00 0.00 0.00 51.96 54.35 3dk6 s ALA 397 Cb -0.37 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.10 3dk6 s ALA 397 CO 0.39 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.58 3dk6 n GLY 398 N 2.46 0.45 3.76 0.00 0.00 -1.26 -5.03 105.19 105.57 3dk6 n GLY 398 Ca 0.09 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 3dk6 n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dk6 s ALA 399 N -2.05 3.38 -0.11 4.61 0.00 -1.01 -5.05 121.76 121.52 3dk6 s ALA 399 Ca 0.00 0.85 -0.01 0.00 0.00 0.00 0.00 51.96 52.80 3dk6 s ALA 399 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3dk6 s ALA 399 CO 0.00 -0.12 -0.07 0.15 0.00 0.00 0.00 175.76 175.72 3dk6 s LYS 400 N -1.49 3.19 0.18 0.00 1.02 -1.26 -5.08 119.74 116.29 3dk6 s LYS 400 Ca 0.45 -0.57 0.10 0.00 0.02 0.00 0.00 55.97 55.97 3dk6 s LYS 400 Cb -0.31 -2.70 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 3dk6 s LYS 400 CO 0.39 0.43 -0.18 -0.06 -0.92 0.00 0.00 175.35 175.01 3dk6 s PHE 401 N -0.18 2.45 -0.87 3.18 2.99 -1.26 -5.05 117.98 119.24 3dk6 s PHE 401 Ca 0.02 -0.30 -0.25 0.00 0.00 0.00 0.00 56.93 56.40 3dk6 s PHE 401 Cb -0.13 -1.21 -0.04 0.00 0.00 0.00 0.00 43.02 41.64 3dk6 s PHE 401 CO 0.03 0.50 1.94 -1.25 -0.00 0.00 0.00 175.22 176.44 3dk6 s PRO 402 N -2.71 2.56 0.26 0.24 0.04 -1.26 -4.87 135.00 129.26 3dk6 s PRO 402 Ca 0.22 -0.18 -0.02 0.00 0.04 0.00 0.00 61.00 61.06 3dk6 s PRO 402 Cb -0.08 -4.99 0.56 0.00 0.04 0.00 0.00 34.50 30.03 3dk6 s PRO 402 CO 0.12 -3.31 1.69 0.82 0.04 0.00 0.00 177.00 176.35 3dk6 h ILE 403 N 7.22 0.49 0.00 0.56 2.04 -1.95 -1.27 117.51 124.60 3dk6 h ILE 403 Ca 0.06 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3dk6 h ILE 403 Cb 1.02 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3dk6 h ILE 403 CO 1.21 0.06 0.00 0.29 0.00 0.00 0.00 178.15 179.71 3dk6 n LYS 404 N -5.12 0.12 0.00 2.37 5.02 -1.26 -1.68 118.16 117.60 3dk6 n LYS 404 Ca 0.17 0.14 0.07 0.00 -2.02 0.00 0.00 58.31 56.67 3dk6 n LYS 404 Cb 0.53 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.06 3dk6 n LYS 404 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3dk6 n TRP 405 N -1.41 0.00 -3.52 2.13 8.01 -0.50 -4.95 117.44 117.20 3dk6 n TRP 405 Ca 0.07 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.89 3dk6 n TRP 405 Cb 0.20 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.42 3dk6 n TRP 405 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 3dk6 s THR 406 N -1.54 5.28 0.60 -0.99 2.01 -0.68 -3.90 115.64 116.43 3dk6 s THR 406 Ca 0.13 0.49 -0.20 0.00 0.31 0.00 0.00 61.69 62.42 3dk6 s THR 406 Cb 0.11 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 3dk6 s THR 406 CO 0.29 0.33 1.33 0.00 -0.69 0.00 0.00 174.62 175.88 3dk6 s ALA 407 N 0.96 2.60 0.35 7.40 0.00 -1.26 -4.77 121.76 127.03 3dk6 s ALA 407 Ca 0.15 1.29 0.05 0.00 0.00 0.00 0.00 51.96 53.45 3dk6 s ALA 407 Cb -0.14 -3.57 0.71 0.00 0.00 0.00 0.00 23.12 20.13 3dk6 s ALA 407 CO 0.05 -1.51 1.94 -1.00 0.00 0.00 0.00 175.76 175.24 3dk6 h PRO 408 N 0.99 0.78 0.00 0.00 0.13 -1.96 -1.22 132.00 130.72 3dk6 h PRO 408 Ca -0.51 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.52 3dk6 h PRO 408 Cb 1.32 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3dk6 h PRO 408 CO 0.55 0.51 -0.26 1.05 -0.23 0.00 0.00 178.00 179.63 3dk6 h GLU 409 N 0.80 0.00 0.06 0.86 9.09 -1.89 -1.41 114.58 122.10 3dk6 h GLU 409 Ca 0.35 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.48 3dk6 h GLU 409 Cb 0.31 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.43 3dk6 h GLU 409 CO -0.12 0.26 -1.13 0.77 0.05 0.00 0.00 179.01 178.83 3dk6 h SER 410 N 0.00 0.88 -0.32 3.06 0.02 -1.14 -1.56 113.55 114.49 3dk6 h SER 410 Ca -0.00 -0.78 -0.08 0.00 -0.84 0.00 0.00 61.79 60.09 3dk6 h SER 410 Cb 0.55 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3dk6 h SER 410 CO 0.03 1.57 -0.06 -0.07 -1.14 0.00 0.00 176.83 177.16 3dk6 h LEU 411 N 0.31 0.68 0.05 5.07 3.38 -0.94 -1.65 115.31 122.21 3dk6 h LEU 411 Ca -0.16 -0.18 -0.37 0.00 0.09 0.00 0.00 57.88 57.27 3dk6 h LEU 411 Cb 1.79 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 42.31 3dk6 h LEU 411 CO 0.22 0.79 -2.21 0.00 0.09 0.00 0.00 178.44 177.33 3dk6 n ALA 412 N -2.48 1.23 0.00 1.53 0.00 -0.56 -4.64 120.51 115.60 3dk6 n ALA 412 Ca 0.02 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.56 3dk6 n ALA 412 Cb 0.32 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.37 3dk6 n ALA 412 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dk6 n TYR 413 N -3.28 0.00 -2.00 0.00 4.02 -0.60 -5.00 117.16 110.30 3dk6 n TYR 413 Ca -0.37 -0.19 -0.20 0.00 -0.01 0.00 0.00 57.90 57.14 3dk6 n TYR 413 Cb 1.04 -0.02 -0.05 0.00 -0.02 0.00 0.00 39.34 40.29 3dk6 n TYR 413 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3dk6 n ASN 414 N -0.17 -5.55 -4.73 7.72 4.13 -0.62 -4.85 115.26 111.20 3dk6 n ASN 414 Ca 0.00 0.24 -0.36 0.00 1.68 0.00 0.00 54.58 56.15 3dk6 n ASN 414 Cb 0.10 -4.76 -0.07 0.00 -1.54 0.00 0.00 39.78 33.50 3dk6 n ASN 414 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3dk6 s LYS 415 N -4.39 4.23 0.01 3.52 1.02 -1.11 -1.00 119.74 122.01 3dk6 s LYS 415 Ca 0.00 -0.04 0.06 0.00 0.02 0.00 0.00 55.97 56.01 3dk6 s LYS 415 Cb 0.00 -3.43 -0.02 0.00 -0.52 0.00 0.00 37.83 33.87 3dk6 s LYS 415 CO 0.00 0.26 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.44 3dk6 s PHE 416 N 0.44 1.65 0.31 3.18 0.40 -1.26 -2.92 117.98 119.77 3dk6 s PHE 416 Ca 0.13 -0.34 -0.07 0.00 -0.60 0.00 0.00 56.93 56.06 3dk6 s PHE 416 Cb -0.12 -1.02 0.03 0.00 0.51 0.00 0.00 43.02 42.41 3dk6 s PHE 416 CO 0.01 0.02 0.53 -1.13 0.70 0.00 0.00 175.22 175.35 3dk6 n SER 417 N 2.27 -1.50 0.14 1.36 3.41 -1.26 -4.33 113.62 113.71 3dk6 n SER 417 Ca -0.16 -2.45 0.16 0.00 -0.26 0.00 0.00 58.87 56.15 3dk6 n SER 417 Cb 0.54 2.62 0.72 0.00 -0.26 0.00 0.00 64.21 67.82 3dk6 n SER 417 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3dk6 h ILE 418 N 1.83 0.74 0.00 -1.33 6.09 -1.93 -1.56 117.51 121.36 3dk6 h ILE 418 Ca -0.25 0.00 -0.10 0.00 -1.37 0.00 0.00 64.86 63.14 3dk6 h ILE 418 Cb 1.00 0.85 -0.01 0.00 0.47 0.00 0.00 36.82 39.13 3dk6 h ILE 418 CO 0.33 0.00 -0.46 0.11 -3.07 0.00 0.00 178.15 175.06 3dk6 h LYS 419 N 0.00 0.00 0.00 2.19 1.79 -1.95 -1.34 116.57 117.26 3dk6 h LYS 419 Ca 0.13 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.48 3dk6 h LYS 419 Cb 0.55 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 3dk6 h LYS 419 CO -0.00 0.46 -0.57 0.66 -1.08 0.00 0.00 179.45 178.92 3dk6 h SER 420 N 0.00 0.00 -0.51 0.86 4.64 -1.67 -2.19 113.55 114.68 3dk6 h SER 420 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3dk6 h SER 420 Cb 1.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 3dk6 h SER 420 CO 0.06 0.57 -0.10 0.44 -0.87 0.00 0.00 176.83 176.93 3dk6 h ASP 421 N 0.00 0.99 -0.79 4.97 3.32 -1.19 -2.25 116.42 121.47 3dk6 h ASP 421 Ca -0.01 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 3dk6 h ASP 421 Cb 1.22 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.46 3dk6 h ASP 421 CO 0.07 1.10 0.49 0.58 -1.72 0.00 0.00 179.24 179.76 3dk6 h VAL 422 N 0.88 1.22 0.08 -1.35 2.07 -1.08 -0.10 116.25 117.96 3dk6 h VAL 422 Ca 0.14 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3dk6 h VAL 422 Cb 0.66 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3dk6 h VAL 422 CO 0.05 0.22 -0.08 -0.25 0.02 0.00 0.00 177.57 177.53 3dk6 h TRP 423 N 1.07 -0.21 -0.84 1.57 2.91 -1.32 -2.32 115.95 116.82 3dk6 h TRP 423 Ca 0.28 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.32 3dk6 h TRP 423 Cb -0.06 0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 28.62 3dk6 h TRP 423 CO -0.01 -0.13 0.55 0.00 -1.03 0.00 0.00 178.44 177.83 3dk6 h ALA 424 N 0.73 1.44 -0.83 2.65 0.00 -1.12 -1.68 119.26 120.44 3dk6 h ALA 424 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3dk6 h ALA 424 Cb 0.18 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3dk6 h ALA 424 CO -0.02 0.51 0.55 0.35 0.00 0.00 0.00 179.25 180.64 3dk6 h PHE 425 N 1.10 1.04 -0.73 0.00 3.57 -0.82 0.09 116.94 121.18 3dk6 h PHE 425 Ca 0.32 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.85 3dk6 h PHE 425 Cb -0.07 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.29 3dk6 h PHE 425 CO -0.00 0.64 0.48 0.78 -2.23 0.00 0.00 178.31 177.98 3dk6 h GLY 426 N 1.10 1.03 1.08 2.40 0.00 -0.75 0.15 103.07 108.09 3dk6 h GLY 426 Ca 0.31 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 3dk6 h GLY 426 CO -0.08 0.37 -0.02 -2.08 0.00 0.00 0.00 176.54 174.74 3dk6 h VAL 427 N 0.99 1.27 -0.79 4.60 2.07 -1.12 -2.52 116.25 120.74 3dk6 h VAL 427 Ca 0.27 -1.17 0.03 0.00 0.82 0.00 0.00 66.70 66.65 3dk6 h VAL 427 Cb -0.10 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 3dk6 h VAL 427 CO -0.06 0.42 0.50 0.25 0.02 0.00 0.00 177.57 178.70 3dk6 h LEU 428 N 0.94 0.84 -0.78 2.57 5.85 -0.49 -0.86 115.31 123.37 3dk6 h LEU 428 Ca 0.16 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.94 3dk6 h LEU 428 Cb 0.58 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 3dk6 h LEU 428 CO 0.03 0.58 0.46 -0.07 -0.34 0.00 0.00 178.44 179.11 3dk6 h LEU 429 N 0.99 0.71 -0.63 2.25 3.38 -0.50 -1.08 115.31 120.43 3dk6 h LEU 429 Ca 0.31 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.25 3dk6 h LEU 429 Cb -0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3dk6 h LEU 429 CO -0.11 0.45 0.15 -0.25 0.09 0.00 0.00 178.44 178.77 3dk6 h TRP 430 N 0.84 1.05 -0.78 1.13 7.01 -0.99 -0.56 115.95 123.65 3dk6 h TRP 430 Ca 0.35 -0.13 0.04 0.00 2.11 0.00 0.00 58.89 61.26 3dk6 h TRP 430 Cb 0.20 -0.30 -0.05 0.00 -2.10 0.00 0.00 29.16 26.91 3dk6 h TRP 430 CO -0.05 0.88 0.49 0.93 -2.79 0.00 0.00 178.44 177.90 3dk6 h GLU 431 N 0.92 0.91 -0.17 2.65 5.08 -0.59 -2.16 114.58 121.21 3dk6 h GLU 431 Ca 0.20 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3dk6 h GLU 431 Cb 0.36 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3dk6 h GLU 431 CO 0.00 0.60 -0.04 0.82 -1.00 0.00 0.00 179.01 179.39 3dk6 h ILE 432 N 0.93 1.28 0.00 3.13 2.04 -0.89 0.35 117.51 124.36 3dk6 h ILE 432 Ca 0.32 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 3dk6 h ILE 432 Cb 0.06 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3dk6 h ILE 432 CO -0.13 0.30 -0.06 0.00 0.00 0.00 0.00 178.15 178.25 3dk6 h ALA 433 N 0.73 1.64 -0.45 1.87 0.00 -0.96 -2.00 119.26 120.08 3dk6 h ALA 433 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dk6 h ALA 433 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3dk6 h ALA 433 CO 0.02 0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.59 3dk6 n THR 434 N -4.09 0.64 -3.79 0.00 -2.24 -0.83 -4.83 114.28 99.15 3dk6 n THR 434 Ca -0.03 -0.82 -0.27 0.00 -2.27 0.00 0.00 64.05 60.66 3dk6 n THR 434 Cb 0.15 0.84 0.05 0.00 -2.10 0.00 0.00 70.33 69.26 3dk6 n THR 434 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3dk6 n TYR 435 N 1.41 -2.47 -0.97 4.78 4.01 -0.75 -3.63 117.16 119.53 3dk6 n TYR 435 Ca 0.19 0.94 0.00 0.00 -0.16 0.00 0.00 57.90 58.87 3dk6 n TYR 435 Cb 0.58 -4.38 0.00 0.00 -0.31 0.00 0.00 39.34 35.23 3dk6 n TYR 435 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dk6 n GLY 436 N -1.78 1.21 3.78 2.72 0.00 0.12 -3.15 105.19 108.09 3dk6 n GLY 436 Ca 0.00 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 3dk6 n GLY 436 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dk6 s MET 437 N -2.44 3.63 0.08 1.61 -1.94 -1.24 -4.89 119.30 114.12 3dk6 s MET 437 Ca 0.00 1.59 -0.31 0.00 -1.71 0.00 0.00 55.69 55.26 3dk6 s MET 437 Cb 0.00 -2.18 -0.06 0.00 2.01 0.00 0.00 34.83 34.60 3dk6 s MET 437 CO 0.00 -0.61 1.27 -1.12 -0.01 0.00 0.00 175.02 174.55 3dk6 s SER 438 N -1.69 6.98 0.79 3.03 0.01 -1.26 -4.73 113.70 116.83 3dk6 s SER 438 Ca 0.68 2.13 -0.13 0.00 1.31 0.00 0.00 55.95 59.94 3dk6 s SER 438 Cb -0.23 -2.58 0.07 0.00 0.21 0.00 0.00 66.02 63.49 3dk6 s SER 438 CO 0.27 -0.54 1.16 -2.16 0.41 0.00 0.00 173.24 172.38 3dk6 s PRO 439 N 1.13 1.85 -1.14 12.44 0.04 -1.26 -3.62 135.00 144.44 3dk6 s PRO 439 Ca 0.61 1.55 -0.29 0.00 0.04 0.00 0.00 61.00 62.91 3dk6 s PRO 439 Cb -0.32 -1.82 0.04 0.00 0.04 0.00 0.00 34.50 32.44 3dk6 s PRO 439 CO 0.29 -2.01 0.66 0.66 0.04 0.00 0.00 177.00 176.64 3dk6 n TYR 440 N -3.34 -1.48 -1.81 0.56 4.02 -1.26 -4.77 117.16 109.09 3dk6 n TYR 440 Ca 0.12 0.19 -0.42 0.00 -0.01 0.00 0.00 57.90 57.78 3dk6 n TYR 440 Cb 0.51 -2.73 -0.02 0.00 -0.02 0.00 0.00 39.34 37.08 3dk6 n TYR 440 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3dk6 s PRO 441 N -7.02 4.15 0.00 -0.72 0.04 -1.24 -2.07 135.00 128.14 3dk6 s PRO 441 Ca 0.40 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.97 3dk6 s PRO 441 Cb -0.22 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.24 3dk6 s PRO 441 CO 0.96 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.75 3dk6 n GLY 442 N 3.12 2.84 3.65 0.56 0.00 -1.26 -5.00 105.19 109.10 3dk6 n GLY 442 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3dk6 n GLY 442 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dk6 s ILE 443 N -1.90 4.93 0.23 -0.61 1.01 -0.88 -5.03 121.20 118.95 3dk6 s ILE 443 Ca 0.00 1.40 -0.30 0.00 0.00 0.00 0.00 60.65 61.75 3dk6 s ILE 443 Cb 0.00 -4.04 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 3dk6 s ILE 443 CO 0.00 0.03 1.33 -0.62 0.00 0.00 0.00 174.94 175.68 3dk6 s ASP 444 N 1.26 6.84 0.37 3.58 -1.08 -1.26 -4.92 116.67 121.45 3dk6 s ASP 444 Ca 0.33 2.49 0.16 0.00 -0.52 0.00 0.00 52.55 55.01 3dk6 s ASP 444 Cb -0.16 -2.62 1.07 0.00 -1.46 0.00 0.00 42.92 39.75 3dk6 s ASP 444 CO 0.10 -0.55 1.72 -0.65 0.52 0.00 0.00 175.17 176.31 3dk6 h PRO 445 N 4.96 0.39 0.00 4.34 0.11 -1.95 -1.35 132.00 138.50 3dk6 h PRO 445 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3dk6 h PRO 445 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3dk6 h PRO 445 CO 0.75 0.26 0.00 -1.13 -0.21 0.00 0.00 178.00 177.67 3dk6 n SER 446 N -4.80 0.00 -0.20 -2.05 3.41 -1.26 -2.09 113.62 106.63 3dk6 n SER 446 Ca 0.29 0.29 0.03 0.00 -0.26 0.00 0.00 58.87 59.22 3dk6 n SER 446 Cb 0.92 -0.37 0.01 0.00 -0.26 0.00 0.00 64.21 64.52 3dk6 n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dk6 n GLN 447 N -1.37 1.45 -0.10 4.33 6.02 -0.51 -4.71 117.38 122.49 3dk6 n GLN 447 Ca 0.03 -0.66 -0.12 0.00 -0.01 0.00 0.00 57.00 56.25 3dk6 n GLN 447 Cb 0.08 -1.04 -0.04 0.00 1.02 0.00 0.00 30.24 30.26 3dk6 n GLN 447 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3dk6 h VAL 448 N 1.00 1.28 -0.53 5.09 2.07 -1.48 -3.15 116.25 120.52 3dk6 h VAL 448 Ca 0.00 -1.07 0.04 0.00 0.82 0.00 0.00 66.70 66.49 3dk6 h VAL 448 Cb 0.26 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 3dk6 h VAL 448 CO 0.00 0.34 0.29 0.22 0.02 0.00 0.00 177.57 178.44 3dk6 h TYR 449 N 0.30 0.54 -0.99 1.57 3.20 -1.84 -1.06 116.97 118.68 3dk6 h TYR 449 Ca 0.07 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.97 3dk6 h TYR 449 Cb 0.53 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 3dk6 h TYR 449 CO 0.05 0.29 0.65 0.93 -1.64 0.00 0.00 178.16 178.44 3dk6 h GLU 450 N 0.57 1.29 -0.26 1.82 4.39 -1.89 -1.41 114.58 119.09 3dk6 h GLU 450 Ca 0.22 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 3dk6 h GLU 450 Cb 0.08 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 3dk6 h GLU 450 CO -0.13 0.85 0.07 -0.07 -1.16 0.00 0.00 179.01 178.57 3dk6 h LEU 451 N 1.33 0.39 -1.27 1.33 3.38 -1.39 -2.71 115.31 116.37 3dk6 h LEU 451 Ca 0.37 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3dk6 h LEU 451 Cb -0.14 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3dk6 h LEU 451 CO -0.08 0.51 0.51 -0.07 0.09 0.00 0.00 178.44 179.39 3dk6 h LEU 452 N 0.25 0.82 -0.35 1.67 3.38 -0.79 -0.54 115.31 119.75 3dk6 h LEU 452 Ca 0.08 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3dk6 h LEU 452 Cb 0.27 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3dk6 h LEU 452 CO -0.00 0.57 0.16 -0.33 0.09 0.00 0.00 178.44 178.92 3dk6 h GLU 453 N 0.95 0.32 0.00 1.13 5.08 -1.17 -2.53 114.58 118.36 3dk6 h GLU 453 Ca 0.30 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3dk6 h GLU 453 Cb 0.03 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3dk6 h GLU 453 CO -0.09 0.21 0.00 1.63 -1.00 0.00 0.00 179.01 179.76 3dk6 n LYS 454 N -4.97 0.71 -1.81 2.33 4.76 -0.60 -4.83 118.16 113.76 3dk6 n LYS 454 Ca 0.01 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 3dk6 n LYS 454 Cb 0.10 -1.17 -0.02 0.00 -1.84 0.00 0.00 35.03 32.10 3dk6 n LYS 454 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3dk6 n ASP 455 N -0.67 -3.38 -4.72 4.39 2.03 -0.95 -5.02 116.55 108.23 3dk6 n ASP 455 Ca 0.06 0.07 -0.42 0.00 0.52 0.00 0.00 54.79 55.02 3dk6 n ASP 455 Cb 0.03 -2.27 -0.03 0.00 -0.72 0.00 0.00 41.12 38.12 3dk6 n ASP 455 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3dk6 s TYR 456 N -2.38 3.61 0.11 -0.67 5.04 -0.31 -5.00 117.35 117.75 3dk6 s TYR 456 Ca 0.00 1.59 0.03 0.00 -2.44 0.00 0.00 57.07 56.25 3dk6 s TYR 456 Cb 0.00 -3.21 -0.04 0.00 0.35 0.00 0.00 41.96 39.06 3dk6 s TYR 456 CO 0.00 -0.39 -0.08 1.03 -1.34 0.00 0.00 175.55 174.76 3dk6 s ARG 457 N 0.73 0.89 0.44 4.97 1.81 -1.26 -4.16 118.95 122.38 3dk6 s ARG 457 Ca 0.53 -1.31 -0.26 0.00 -1.72 0.00 0.00 55.73 52.98 3dk6 s ARG 457 Cb -0.25 -0.39 -0.09 0.00 -0.45 0.00 0.00 34.95 33.78 3dk6 s ARG 457 CO 0.29 0.03 1.45 -1.64 -0.68 0.00 0.00 175.30 174.75 3dk6 s MET 458 N -3.50 3.72 0.71 3.54 -1.94 -1.26 -5.00 119.30 115.58 3dk6 s MET 458 Ca 0.11 2.47 -0.11 0.00 -1.71 0.00 0.00 55.69 56.45 3dk6 s MET 458 Cb 0.02 -2.69 0.02 0.00 2.01 0.00 0.00 34.83 34.19 3dk6 s MET 458 CO -0.02 -0.81 1.07 -1.83 -0.01 0.00 0.00 175.02 173.42 3dk6 s GLU 459 N -2.42 2.80 0.10 2.03 1.03 -1.26 -4.97 118.70 116.01 3dk6 s GLU 459 Ca 0.60 0.75 -0.31 0.00 0.03 0.00 0.00 54.97 56.04 3dk6 s GLU 459 Cb -0.45 -1.99 -0.10 0.00 -0.80 0.00 0.00 34.13 30.79 3dk6 s GLU 459 CO 0.58 -1.14 1.88 0.50 -1.33 0.00 0.00 175.26 175.75 3dk6 s ARG 460 N -5.15 4.14 0.69 -4.83 3.52 -1.26 -4.96 118.95 111.09 3dk6 s ARG 460 Ca 0.58 2.61 -0.16 0.00 -0.13 0.00 0.00 55.73 58.63 3dk6 s ARG 460 Cb -0.13 -3.77 0.01 0.00 -1.56 0.00 0.00 34.95 29.50 3dk6 s ARG 460 CO 0.54 -0.88 1.22 -2.14 -0.81 0.00 0.00 175.30 173.23 3dk6 s PRO 461 N 3.28 2.40 0.13 5.12 0.02 -1.26 -4.93 135.00 139.75 3dk6 s PRO 461 Ca 0.83 1.81 -0.32 0.00 0.02 0.00 0.00 61.00 63.35 3dk6 s PRO 461 Cb -0.45 -1.86 -0.11 0.00 0.02 0.00 0.00 34.50 32.10 3dk6 s PRO 461 CO 0.38 -1.65 1.81 -1.91 -0.33 0.00 0.00 177.00 175.30 3dk6 n GLU 462 N -2.35 2.74 -0.30 5.54 2.13 -1.26 -2.19 120.64 124.95 3dk6 n GLU 462 Ca 0.14 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.95 3dk6 n GLU 462 Cb 0.50 -2.87 0.00 0.00 0.27 0.00 0.00 31.44 29.33 3dk6 n GLU 462 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dk6 n GLY 463 N 4.15 1.83 3.71 8.31 0.00 -1.26 -4.95 105.19 116.98 3dk6 n GLY 463 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3dk6 n GLY 463 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dk6 s PRO 465 N 1.38 3.45 0.26 0.00 0.02 -1.26 -4.87 135.00 133.97 3dk6 s PRO 465 Ca 0.57 2.10 -0.04 0.00 0.02 0.00 0.00 61.00 63.65 3dk6 s PRO 465 Cb -0.27 -2.38 0.36 0.00 0.02 0.00 0.00 34.50 32.22 3dk6 s PRO 465 CO 0.27 -0.90 1.89 1.49 -0.33 0.00 0.00 177.00 179.42 3dk6 h GLU 466 N 1.82 1.16 -0.94 5.54 4.57 -1.99 -1.89 114.58 122.85 3dk6 h GLU 466 Ca -0.50 -0.07 0.06 0.00 -1.18 0.00 0.00 59.36 57.67 3dk6 h GLU 466 Cb 1.28 -0.26 -0.06 0.00 -0.16 0.00 0.00 28.75 29.54 3dk6 h GLU 466 CO 0.59 0.77 0.61 0.87 -1.18 0.00 0.00 179.01 180.67 3dk6 h LYS 467 N 1.20 1.07 -0.19 1.92 1.57 -1.99 0.41 116.57 120.55 3dk6 h LYS 467 Ca 0.41 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.95 3dk6 h LYS 467 Cb 0.08 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.16 3dk6 h LYS 467 CO -0.15 0.70 -0.58 0.28 -0.57 0.00 0.00 179.45 179.14 3dk6 h VAL 468 N 1.10 1.31 -0.31 0.50 2.07 -1.75 -2.85 116.25 116.31 3dk6 h VAL 468 Ca 0.40 -1.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.03 3dk6 h VAL 468 Cb 0.16 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 3dk6 h VAL 468 CO -0.15 0.57 -0.17 0.22 0.02 0.00 0.00 177.57 178.06 3dk6 h TYR 469 N 0.43 0.62 -0.67 1.57 3.20 -1.01 -1.58 116.97 119.52 3dk6 h TYR 469 Ca -0.02 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.71 3dk6 h TYR 469 Cb 1.20 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.28 3dk6 h TYR 469 CO 0.09 0.70 0.29 0.93 -1.64 0.00 0.00 178.16 178.53 3dk6 h GLU 470 N 0.51 0.97 -0.43 1.82 5.08 -0.92 -0.66 114.58 120.95 3dk6 h GLU 470 Ca 0.09 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3dk6 h GLU 470 Cb 0.58 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3dk6 h GLU 470 CO 0.04 0.77 0.04 -0.07 -1.00 0.00 0.00 179.01 178.79 3dk6 h LEU 471 N 0.96 0.71 -0.34 1.33 3.38 -1.23 -1.23 115.31 118.88 3dk6 h LEU 471 Ca 0.23 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.99 3dk6 h LEU 471 Cb 0.15 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 3dk6 h LEU 471 CO -0.02 0.81 -0.11 0.24 0.09 0.00 0.00 178.44 179.45 3dk6 h MET 472 N 0.58 -0.03 -0.21 1.13 2.86 -0.84 -1.27 114.93 117.14 3dk6 h MET 472 Ca 0.13 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.67 3dk6 h MET 472 Cb 0.42 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 3dk6 h MET 472 CO 0.01 -0.02 -0.30 0.00 1.06 0.00 0.00 176.91 177.67 3dk6 h ARG 473 N -0.03 0.41 -0.49 1.72 2.47 -1.02 -2.03 114.38 115.40 3dk6 h ARG 473 Ca 0.17 -0.16 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 3dk6 h ARG 473 Cb 0.29 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 3dk6 h ARG 473 CO -0.37 0.67 0.04 0.00 0.56 0.00 0.00 179.97 180.87 3dk6 h ALA 474 N 1.33 1.17 0.00 0.04 0.00 -0.91 -2.39 119.26 118.50 3dk6 h ALA 474 Ca 0.05 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3dk6 h ALA 474 Cb 0.71 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3dk6 h ALA 474 CO 0.05 0.55 -0.29 0.00 0.00 0.00 0.00 179.25 179.56 3dk6 n TRP 476 N -3.99 1.88 -1.89 0.00 8.01 -0.83 -3.87 117.44 116.77 3dk6 n TRP 476 Ca -0.02 -0.79 -0.41 0.00 -1.31 0.00 0.00 57.50 54.97 3dk6 n TRP 476 Cb 0.36 -0.52 -0.02 0.00 -2.01 0.00 0.00 31.31 29.12 3dk6 n TRP 476 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 3dk6 s GLN 477 N -2.51 4.19 0.15 -0.99 -1.52 -1.14 -4.93 119.66 112.92 3dk6 s GLN 477 Ca 0.45 2.46 -0.16 0.00 -1.95 0.00 0.00 55.36 56.16 3dk6 s GLN 477 Cb 0.35 -3.05 0.05 0.00 -0.22 0.00 0.00 33.01 30.15 3dk6 s GLN 477 CO 0.12 -0.52 1.76 2.35 -0.25 0.00 0.00 175.29 178.76 3dk6 h TRP 478 N 4.58 0.26 -3.25 0.91 2.91 -1.93 -3.40 115.95 116.03 3dk6 h TRP 478 Ca -0.47 0.02 -0.58 0.00 1.13 0.00 0.00 58.89 58.98 3dk6 h TRP 478 Cb 1.22 -0.06 -0.07 0.00 -0.51 0.00 0.00 29.16 29.74 3dk6 h TRP 478 CO 0.58 0.12 0.75 1.21 -1.03 0.00 0.00 178.44 180.07 3dk6 s ASN 479 N -5.38 6.95 0.31 2.65 2.47 -1.26 -4.86 114.94 115.82 3dk6 s ASN 479 Ca -0.13 1.11 0.09 0.00 0.42 0.00 0.00 52.86 54.34 3dk6 s ASN 479 Cb 0.12 -2.52 0.85 0.00 -1.45 0.00 0.00 41.25 38.25 3dk6 s ASN 479 CO 0.71 -0.75 1.74 -0.65 -3.72 0.00 0.00 177.10 174.43 3dk6 h PRO 480 N 7.86 0.59 0.00 0.43 0.11 -1.95 -0.36 132.00 138.68 3dk6 h PRO 480 Ca -0.21 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3dk6 h PRO 480 Cb 1.07 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3dk6 h PRO 480 CO 0.99 0.39 0.00 0.66 -0.21 0.00 0.00 178.00 179.83 3dk6 h SER 481 N 0.61 0.00 1.40 -2.05 4.64 -1.94 -2.57 113.55 113.64 3dk6 h SER 481 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 3dk6 h SER 481 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3dk6 h SER 481 CO -0.46 0.00 -0.26 0.44 -0.87 0.00 0.00 176.83 175.68 3dk6 h ASP 482 N 0.00 0.00 -3.95 4.97 3.32 -1.42 -3.46 116.42 115.87 3dk6 h ASP 482 Ca 0.00 -0.05 -0.49 0.00 0.02 0.00 0.00 57.03 56.50 3dk6 h ASP 482 Cb 0.41 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.99 3dk6 h ASP 482 CO 0.00 0.03 0.44 -0.13 -1.72 0.00 0.00 179.24 177.86 3dk6 s ARG 483 N -3.17 4.11 0.79 3.56 0.52 -0.97 -4.95 118.95 118.84 3dk6 s ARG 483 Ca 0.08 1.63 -0.10 0.00 -0.52 0.00 0.00 55.73 56.81 3dk6 s ARG 483 Cb 0.11 -2.58 0.07 0.00 0.52 0.00 0.00 34.95 33.06 3dk6 s ARG 483 CO 0.67 -0.21 1.10 -1.25 0.02 0.00 0.00 175.30 175.62 3dk6 s PRO 484 N -2.43 2.08 0.64 3.54 0.04 -1.26 -5.04 135.00 132.56 3dk6 s PRO 484 Ca 0.58 1.21 -0.10 0.00 0.04 0.00 0.00 61.00 62.72 3dk6 s PRO 484 Cb -0.25 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 3dk6 s PRO 484 CO 0.31 -1.78 1.02 -1.54 0.04 0.00 0.00 177.00 175.05 3dk6 s SER 485 N -3.31 5.85 0.42 6.66 1.04 -1.26 -4.93 113.70 118.17 3dk6 s SER 485 Ca 0.62 1.17 0.18 0.00 0.48 0.00 0.00 55.95 58.41 3dk6 s SER 485 Cb -0.18 -2.15 0.95 0.00 0.10 0.00 0.00 66.02 64.74 3dk6 s SER 485 CO 0.56 -1.05 1.89 -0.26 0.98 0.00 0.00 173.24 175.37 3dk6 h PHE 486 N -0.38 0.00 -0.34 5.02 0.04 -1.94 -1.40 116.94 117.94 3dk6 h PHE 486 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.33 3dk6 h PHE 486 Cb 1.22 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.36 3dk6 h PHE 486 CO 0.57 0.28 0.22 0.00 -0.60 0.00 0.00 178.31 178.79 3dk6 h ALA 487 N 1.72 0.43 -0.45 2.45 0.00 -1.89 0.18 119.26 121.70 3dk6 h ALA 487 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3dk6 h ALA 487 Cb 0.59 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3dk6 h ALA 487 CO 0.04 -0.11 0.10 0.93 0.00 0.00 0.00 179.25 180.21 3dk6 h GLU 488 N 0.46 0.73 -0.31 0.00 5.08 -1.85 -2.36 114.58 116.32 3dk6 h GLU 488 Ca 0.12 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3dk6 h GLU 488 Cb -0.05 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3dk6 h GLU 488 CO -0.03 0.73 0.14 0.82 -1.00 0.00 0.00 179.01 179.68 3dk6 h ILE 489 N 0.61 1.16 -0.76 3.13 2.04 -1.08 -2.26 117.51 120.35 3dk6 h ILE 489 Ca 0.14 -0.48 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 3dk6 h ILE 489 Cb 0.33 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 3dk6 h ILE 489 CO 0.00 0.17 0.29 -0.74 0.00 0.00 0.00 178.15 177.87 3dk6 h HIS 490 N 0.37 1.18 -0.65 1.37 2.76 -0.63 -1.75 115.15 117.80 3dk6 h HIS 490 Ca 0.11 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 3dk6 h HIS 490 Cb 0.14 -0.35 -0.03 0.00 1.55 0.00 0.00 27.41 28.72 3dk6 h HIS 490 CO -0.01 0.90 0.36 0.37 -1.30 0.00 0.00 177.93 178.25 3dk6 h GLN 491 N 1.11 0.90 -0.37 5.26 5.75 -1.34 -0.07 115.11 126.34 3dk6 h GLN 491 Ca 0.25 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 3dk6 h GLN 491 Cb 0.24 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 3dk6 h GLN 491 CO -0.02 0.67 0.20 0.00 -2.65 0.00 0.00 178.83 177.04 3dk6 h ALA 492 N 1.18 0.47 -0.33 3.38 0.00 -1.10 -2.13 119.26 120.74 3dk6 h ALA 492 Ca 0.23 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 3dk6 h ALA 492 Cb 0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3dk6 h ALA 492 CO -0.04 -0.00 -0.45 0.74 0.00 0.00 0.00 179.25 179.50 3dk6 h PHE 493 N 0.47 1.06 -0.90 0.00 0.04 -1.17 -1.99 116.94 114.46 3dk6 h PHE 493 Ca 0.13 -0.34 0.01 0.00 2.80 0.00 0.00 57.97 60.57 3dk6 h PHE 493 Cb 0.06 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 37.95 3dk6 h PHE 493 CO -0.03 1.16 0.60 1.49 -0.60 0.00 0.00 178.31 180.93 3dk6 h GLU 494 N 0.69 1.18 -0.31 1.51 4.57 -0.97 0.20 114.58 121.45 3dk6 h GLU 494 Ca 0.04 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 3dk6 h GLU 494 Cb 1.04 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 3dk6 h GLU 494 CO 0.10 0.78 0.02 1.15 -1.18 0.00 0.00 179.01 179.88 3dk6 h THR 495 N 1.21 1.25 -0.76 0.32 2.02 -1.33 -1.26 112.91 114.37 3dk6 h THR 495 Ca 0.33 -0.90 -0.05 0.00 0.77 0.00 0.00 66.41 66.56 3dk6 h THR 495 Cb -0.12 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 3dk6 h THR 495 CO -0.08 0.29 0.29 0.24 0.37 0.00 0.00 175.52 176.63 3dk6 h MET 496 N 0.34 1.14 -0.43 6.66 2.86 -0.99 -1.42 114.93 123.10 3dk6 h MET 496 Ca 0.09 -0.22 -0.09 0.00 -2.06 0.00 0.00 59.70 57.42 3dk6 h MET 496 Cb 0.41 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3dk6 h MET 496 CO 0.01 0.94 -0.08 0.35 1.06 0.00 0.00 176.91 179.20 3dk6 h PHE 497 N 1.10 0.90 -0.56 -0.22 3.57 -0.54 -0.96 116.94 120.23 3dk6 h PHE 497 Ca 0.25 -0.19 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 3dk6 h PHE 497 Cb 0.24 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3dk6 h PHE 497 CO 0.02 0.91 0.05 1.96 -2.23 0.00 0.00 178.31 179.02 3dk6 h GLN 498 N 0.64 0.93 -0.25 1.11 1.08 -1.12 -1.94 115.11 115.56 3dk6 h GLN 498 Ca 0.11 -0.25 -0.17 0.00 -1.45 0.00 0.00 58.65 56.90 3dk6 h GLN 498 Cb 0.60 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.92 3dk6 h GLN 498 CO 0.04 0.89 -0.52 0.93 -0.95 0.00 0.00 178.83 179.22 3dk6 h GLU 499 N 0.87 0.70 -0.09 1.46 5.08 -1.17 -2.60 114.58 118.83 3dk6 h GLU 499 Ca 0.17 -0.43 -0.10 0.00 -1.00 0.00 0.00 59.36 58.00 3dk6 h GLU 499 Cb 0.44 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3dk6 h GLU 499 CO 0.02 1.05 -0.40 1.03 -1.00 0.00 0.00 179.01 179.70 3dk6 h SER 500 N 0.55 0.21 0.13 1.42 0.87 -1.05 -2.75 113.55 112.93 3dk6 h SER 500 Ca 0.02 -0.08 -0.14 0.00 -1.23 0.00 0.00 61.79 60.36 3dk6 h SER 500 Cb 1.08 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 3dk6 h SER 500 CO 0.11 0.59 -0.49 0.28 -0.53 0.00 0.00 176.83 176.79 3dk6 h SER 501 N 0.17 0.45 -0.02 6.23 0.02 -1.30 -3.50 113.55 115.59 3dk6 h SER 501 Ca 0.02 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3dk6 h SER 501 Cb 0.78 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.19 3dk6 h SER 501 CO 0.06 0.86 0.00 -0.38 -1.14 0.00 0.00 176.83 176.23