#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dk3 h LYS 234 N 0.00 0.00 0.00 -0.67 5.09 -2.04 -3.14 116.57 115.81 3dk3 h LYS 234 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 3dk3 h LYS 234 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 3dk3 h LYS 234 CO 0.00 0.20 -0.36 -1.49 -2.09 0.00 0.00 179.45 175.72 3dk3 h TRP 235 N 0.00 0.00 -2.80 0.07 4.06 -1.95 -3.47 115.95 111.86 3dk3 h TRP 235 Ca -0.00 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.42 3dk3 h TRP 235 Cb 0.78 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.97 3dk3 h TRP 235 CO 0.00 0.00 0.90 -1.21 -3.56 0.00 0.00 178.44 174.57 3dk3 s GLU 236 N -3.23 4.23 0.29 0.49 0.41 -1.19 -1.76 118.70 117.94 3dk3 s GLU 236 Ca 0.05 2.29 0.05 0.00 -0.41 0.00 0.00 54.97 56.95 3dk3 s GLU 236 Cb 0.08 -3.36 -0.06 0.00 -1.78 0.00 0.00 34.13 29.01 3dk3 s GLU 236 CO 0.70 -0.63 -0.02 -1.64 -0.49 0.00 0.00 175.26 173.18 3dk3 s MET 237 N 1.79 1.56 0.31 1.61 -1.94 -0.62 -4.90 119.30 117.11 3dk3 s MET 237 Ca 0.70 -1.81 -0.21 0.00 -1.71 0.00 0.00 55.69 52.66 3dk3 s MET 237 Cb -0.41 -1.03 -0.09 0.00 2.01 0.00 0.00 34.83 35.31 3dk3 s MET 237 CO 0.31 -0.04 0.83 -1.83 -0.01 0.00 0.00 175.02 174.28 3dk3 s GLU 238 N -3.79 4.29 0.36 2.03 1.03 -1.26 -4.64 118.70 116.72 3dk3 s GLU 238 Ca 0.31 1.00 0.16 0.00 0.03 0.00 0.00 54.97 56.47 3dk3 s GLU 238 Cb 0.06 -2.64 0.67 0.00 -0.80 0.00 0.00 34.13 31.41 3dk3 s GLU 238 CO 0.13 0.24 1.75 -0.09 -1.33 0.00 0.00 175.26 175.96 3dk3 h ARG 239 N 2.85 0.00 0.00 -4.83 2.43 -1.97 -3.02 114.38 109.84 3dk3 h ARG 239 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3dk3 h ARG 239 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3dk3 h ARG 239 CO 0.64 0.42 0.00 2.41 -1.51 0.00 0.00 179.97 181.93 3dk3 n THR 240 N -3.75 0.80 0.25 0.20 -1.04 -1.26 -2.85 114.28 106.63 3dk3 n THR 240 Ca -0.01 0.20 0.15 0.00 -2.04 0.00 0.00 64.05 62.35 3dk3 n THR 240 Cb 0.49 -0.92 0.53 0.00 -1.82 0.00 0.00 70.33 68.61 3dk3 n THR 240 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3dk3 h ASP 241 N 0.00 0.00 -3.32 8.00 5.19 -1.92 -3.44 116.42 120.92 3dk3 h ASP 241 Ca 0.00 0.00 -0.65 0.00 -0.62 0.00 0.00 57.03 55.76 3dk3 h ASP 241 Cb 0.26 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 39.52 3dk3 h ASP 241 CO 0.00 0.05 -0.73 -0.63 -3.12 0.00 0.00 179.24 174.81 3dk3 s ILE 242 N -3.56 3.36 -0.39 0.35 -1.09 -1.13 -1.10 121.20 117.64 3dk3 s ILE 242 Ca 0.02 -0.54 -0.19 0.00 -2.23 0.00 0.00 60.65 57.71 3dk3 s ILE 242 Cb 0.08 -2.45 0.01 0.00 -1.58 0.00 0.00 42.46 38.53 3dk3 s ILE 242 CO 0.59 0.51 0.53 -0.89 -1.23 0.00 0.00 174.94 174.44 3dk3 s THR 243 N 0.44 4.98 -0.02 2.92 2.01 0.02 -4.91 115.64 121.09 3dk3 s THR 243 Ca -0.07 0.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.77 3dk3 s THR 243 Cb -0.15 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 3dk3 s THR 243 CO 0.04 -0.36 0.93 -0.04 -0.69 0.00 0.00 174.62 174.50 3dk3 s MET 244 N 2.44 4.53 0.00 4.92 -1.94 -1.26 -1.05 119.30 126.94 3dk3 s MET 244 Ca 0.18 1.31 0.00 0.00 -1.71 0.00 0.00 55.69 55.47 3dk3 s MET 244 Cb -0.15 -3.46 0.00 0.00 2.01 0.00 0.00 34.83 33.22 3dk3 s MET 244 CO 0.15 -0.04 0.00 1.63 -0.01 0.00 0.00 175.02 176.75 3dk3 n LYS 245 N 3.94 3.95 -1.99 2.03 4.01 0.37 -5.00 118.16 125.46 3dk3 n LYS 245 Ca 0.05 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.53 3dk3 n LYS 245 Cb 0.51 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 35.04 3dk3 n LYS 245 CO 0.00 0.00 0.00 -3.38 -1.11 0.00 0.00 177.40 172.91 3dk3 s HIS 246 N 2.52 3.19 0.14 2.13 0.00 -1.26 -4.62 115.29 117.39 3dk3 s HIS 246 Ca 0.00 1.46 -0.31 0.00 -3.00 0.00 0.00 55.06 53.21 3dk3 s HIS 246 Cb 0.00 -2.90 -0.09 0.00 -4.00 0.00 0.00 32.58 25.60 3dk3 s HIS 246 CO 0.00 -0.93 1.42 0.21 -1.00 0.00 0.00 174.74 174.45 3dk3 s LYS 247 N -4.42 4.30 0.49 -0.38 2.20 -1.26 -1.60 119.74 119.06 3dk3 s LYS 247 Ca 0.60 2.14 -0.08 0.00 -0.36 0.00 0.00 55.97 58.27 3dk3 s LYS 247 Cb -0.14 -3.22 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 3dk3 s LYS 247 CO 0.42 -0.46 0.84 -0.48 -0.36 0.00 0.00 175.35 175.30 3dk3 s LEU 248 N 0.96 3.61 -0.19 5.43 0.05 -0.95 -4.22 118.68 123.37 3dk3 s LEU 248 Ca 0.65 1.11 0.00 0.00 0.05 0.00 0.00 54.13 55.94 3dk3 s LEU 248 Cb -0.38 -4.06 0.00 0.00 -2.05 0.00 0.00 46.19 39.70 3dk3 s LEU 248 CO 0.31 -0.58 0.00 0.61 -0.55 0.00 0.00 176.35 176.14 3dk3 n GLY 249 N -2.05 0.35 2.25 -3.48 0.00 -1.26 -2.34 105.19 98.66 3dk3 n GLY 249 Ca 0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 3dk3 n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dk3 n GLY 250 N -0.60 0.77 1.19 -0.02 0.00 -1.26 -3.37 105.19 101.90 3dk3 n GLY 250 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3dk3 n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dk3 n GLY 251 N -1.95 0.72 0.27 -0.02 0.00 -0.99 -4.96 105.19 98.26 3dk3 n GLY 251 Ca -0.05 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.13 3dk3 n GLY 251 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3dk3 h GLN 252 N 2.43 0.00 -0.40 1.61 3.07 -1.75 -2.80 115.11 117.28 3dk3 h GLN 252 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3dk3 h GLN 252 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 3dk3 h GLN 252 CO 0.00 0.04 0.00 0.66 0.09 0.00 0.00 178.83 179.62 3dk3 n TYR 253 N -3.16 0.51 -1.35 0.06 4.02 -1.26 -5.07 117.16 110.91 3dk3 n TYR 253 Ca 0.00 -0.26 0.00 0.00 -0.01 0.00 0.00 57.90 57.64 3dk3 n TYR 253 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.65 3dk3 n TYR 253 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dk3 n GLY 254 N 1.50 0.74 2.35 2.72 0.00 -1.06 -4.47 105.19 106.97 3dk3 n GLY 254 Ca 0.20 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 3dk3 n GLY 254 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dk3 n GLU 255 N 5.38 3.58 -3.98 1.61 -0.58 -1.26 -4.76 120.64 120.63 3dk3 n GLU 255 Ca 0.00 -2.49 -0.35 0.00 -0.42 0.00 0.00 57.16 53.89 3dk3 n GLU 255 Cb 0.00 -2.52 -0.13 0.00 -0.57 0.00 0.00 31.44 28.22 3dk3 n GLU 255 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3dk3 s VAL 256 N 0.15 3.75 0.15 2.62 1.01 -1.26 -0.75 120.40 126.07 3dk3 s VAL 256 Ca 0.62 -0.37 0.10 0.00 0.00 0.00 0.00 61.98 62.33 3dk3 s VAL 256 Cb 0.23 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 3dk3 s VAL 256 CO -0.09 0.41 -0.21 -0.31 0.00 0.00 0.00 175.10 174.91 3dk3 s TYR 257 N 1.27 2.43 0.10 5.22 1.51 0.18 -2.23 117.35 125.83 3dk3 s TYR 257 Ca 0.04 -0.31 -0.30 0.00 -1.01 0.00 0.00 57.07 55.48 3dk3 s TYR 257 Cb -0.15 -1.27 -0.06 0.00 -0.11 0.00 0.00 41.96 40.38 3dk3 s TYR 257 CO 0.00 0.41 1.07 -2.00 -1.11 0.00 0.00 175.55 173.92 3dk3 s GLU 258 N -2.32 4.58 0.20 -0.62 2.12 -0.63 -0.32 118.70 121.71 3dk3 s GLU 258 Ca 0.18 1.61 0.01 0.00 0.36 0.00 0.00 54.97 57.14 3dk3 s GLU 258 Cb -0.10 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 30.90 3dk3 s GLU 258 CO 0.09 0.01 0.05 0.20 -0.54 0.00 0.00 175.26 175.07 3dk3 s GLY 259 N 0.38 1.38 -0.14 -1.50 0.00 0.49 -0.48 107.32 107.45 3dk3 s GLY 259 Ca 0.51 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.56 3dk3 s GLY 259 CO 0.31 -1.52 -0.11 0.14 0.00 0.00 0.00 173.10 171.92 3dk3 s VAL 260 N -3.76 1.35 -0.40 1.40 1.01 -0.22 -0.14 120.40 119.64 3dk3 s VAL 260 Ca 0.29 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.44 3dk3 s VAL 260 Cb 0.07 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 35.12 3dk3 s VAL 260 CO 0.07 0.38 1.46 0.86 0.00 0.00 0.00 175.10 177.87 3dk3 s TRP 261 N 1.57 2.32 0.11 5.22 -0.11 0.87 -0.80 118.94 128.13 3dk3 s TRP 261 Ca 0.04 0.66 -0.22 0.00 1.22 0.00 0.00 56.10 57.80 3dk3 s TRP 261 Cb -0.13 -4.29 -0.07 0.00 -1.50 0.00 0.00 33.47 27.47 3dk3 s TRP 261 CO -0.09 -2.11 1.70 0.87 -4.62 0.00 0.00 176.95 172.70 3dk3 h LYS 262 N 10.97 -0.10 0.00 5.86 1.57 -1.43 0.11 116.57 133.55 3dk3 h LYS 262 Ca -0.28 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 3dk3 h LYS 262 Cb 1.11 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 3dk3 h LYS 262 CO 1.08 -0.07 -0.03 0.87 -0.57 0.00 0.00 179.45 180.73 3dk3 h LYS 263 N -0.11 0.00 -0.00 3.15 1.57 -1.92 -2.98 116.57 116.28 3dk3 h LYS 263 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3dk3 h LYS 263 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3dk3 h LYS 263 CO -0.13 0.03 -0.07 0.66 -0.57 0.00 0.00 179.45 179.36 3dk3 n TYR 264 N -3.18 0.00 -2.60 -1.35 4.02 -1.09 -5.00 117.16 107.97 3dk3 n TYR 264 Ca -0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.72 3dk3 n TYR 264 Cb 0.22 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.54 3dk3 n TYR 264 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3dk3 n SER 265 N -0.33 -4.49 -4.68 7.72 2.88 0.35 -4.95 113.62 110.12 3dk3 n SER 265 Ca 0.02 0.04 -0.35 0.00 -1.33 0.00 0.00 58.87 57.25 3dk3 n SER 265 Cb 0.08 -3.76 -0.09 0.00 -0.75 0.00 0.00 64.21 59.69 3dk3 n SER 265 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3dk3 s LEU 266 N -5.90 3.96 0.00 2.46 2.96 -1.03 -4.90 118.68 116.24 3dk3 s LEU 266 Ca 0.08 0.16 -0.30 0.00 -0.22 0.00 0.00 54.13 53.84 3dk3 s LEU 266 Cb -0.04 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 3dk3 s LEU 266 CO 0.09 0.20 1.17 -0.89 -1.32 0.00 0.00 176.35 175.61 3dk3 s THR 267 N 0.22 4.24 0.30 3.68 2.01 -1.26 -0.09 115.64 124.73 3dk3 s THR 267 Ca 0.06 1.59 0.04 0.00 0.31 0.00 0.00 61.69 63.68 3dk3 s THR 267 Cb -0.12 -4.02 -0.06 0.00 0.01 0.00 0.00 72.50 68.31 3dk3 s THR 267 CO -0.00 0.07 0.04 0.68 -0.69 0.00 0.00 174.62 174.72 3dk3 s VAL 268 N 1.54 1.18 -0.11 3.82 -7.23 0.80 -3.76 120.40 116.65 3dk3 s VAL 268 Ca 0.57 -2.02 -0.01 0.00 -1.81 0.00 0.00 61.98 58.71 3dk3 s VAL 268 Cb -0.26 -2.69 -0.03 0.00 0.56 0.00 0.00 36.38 33.96 3dk3 s VAL 268 CO 0.26 -0.08 -0.07 0.00 -0.31 0.00 0.00 175.10 174.90 3dk3 s ALA 269 N -3.31 2.91 -0.11 1.32 0.00 -0.04 -0.38 121.76 122.15 3dk3 s ALA 269 Ca 0.35 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.44 3dk3 s ALA 269 Cb 0.08 -1.32 0.02 0.00 0.00 0.00 0.00 23.12 21.90 3dk3 s ALA 269 CO 0.14 0.39 -0.10 0.08 0.00 0.00 0.00 175.76 176.28 3dk3 s VAL 270 N -0.21 1.15 -0.13 0.00 1.01 0.56 -0.39 120.40 122.40 3dk3 s VAL 270 Ca 0.03 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.47 3dk3 s VAL 270 Cb -0.13 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 3dk3 s VAL 270 CO 0.03 0.38 0.35 -0.75 0.00 0.00 0.00 175.10 175.11 3dk3 s LYS 271 N 1.48 4.21 0.39 2.72 2.20 -0.02 0.50 119.74 131.21 3dk3 s LYS 271 Ca 0.01 0.23 0.07 0.00 -0.36 0.00 0.00 55.97 55.92 3dk3 s LYS 271 Cb -0.13 -3.39 -0.08 0.00 -1.51 0.00 0.00 37.83 32.72 3dk3 s LYS 271 CO -0.06 0.29 -0.00 0.95 -0.36 0.00 0.00 175.35 176.17 3dk3 s THR 272 N 0.26 1.93 0.00 3.43 -4.23 0.07 -1.46 115.64 115.65 3dk3 s THR 272 Ca 0.20 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 3dk3 s THR 272 Cb -0.14 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.79 3dk3 s THR 272 CO 0.07 -0.04 0.00 -0.11 -0.54 0.00 0.00 174.62 174.00 3dk3 n LEU 273 N -0.90 0.00 0.00 4.79 7.94 -1.24 -4.66 117.00 122.93 3dk3 n LEU 273 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 3dk3 n LEU 273 Cb 0.66 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.61 3dk3 n LEU 273 CO 0.47 0.00 0.00 0.23 -1.11 0.00 0.00 177.39 176.98 3dk3 n MET 278 N 0.00 0.00 0.00 1.96 2.81 -1.26 -5.03 117.12 115.60 3dk3 n MET 278 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.95 3dk3 n MET 278 Cb 0.00 0.00 0.39 0.00 -0.71 0.00 0.00 33.22 32.90 3dk3 n MET 278 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3dk3 n GLU 279 N 0.00 0.53 -0.11 0.03 4.71 -1.26 -3.45 120.64 121.08 3dk3 n GLU 279 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.06 3dk3 n GLU 279 Cb 0.00 -1.38 -0.01 0.00 -1.01 0.00 0.00 31.44 29.04 3dk3 n GLU 279 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3dk3 h VAL 280 N 0.00 1.11 -0.28 2.62 2.07 -2.03 -2.11 116.25 117.63 3dk3 h VAL 280 Ca 0.00 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.29 3dk3 h VAL 280 Cb 0.00 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3dk3 h VAL 280 CO 0.00 0.11 0.17 -0.33 0.02 0.00 0.00 177.57 177.54 3dk3 h GLU 281 N 0.48 0.34 -0.28 1.57 3.07 -2.00 -0.88 114.58 116.88 3dk3 h GLU 281 Ca 0.13 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.87 3dk3 h GLU 281 Cb -0.02 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 3dk3 h GLU 281 CO -0.03 0.23 -0.23 1.05 -1.40 0.00 0.00 179.01 178.63 3dk3 h GLU 282 N 0.35 0.54 -0.47 2.33 4.11 -1.80 -2.13 114.58 117.51 3dk3 h GLU 282 Ca 0.11 -0.20 -0.06 0.00 0.07 0.00 0.00 59.36 59.27 3dk3 h GLU 282 Cb -0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3dk3 h GLU 282 CO -0.04 0.73 0.04 0.35 0.07 0.00 0.00 179.01 180.16 3dk3 h PHE 283 N 0.48 0.86 0.00 2.06 3.57 -1.00 -2.23 116.94 120.67 3dk3 h PHE 283 Ca 0.07 -0.13 -0.11 0.00 3.53 0.00 0.00 57.97 61.33 3dk3 h PHE 283 Cb 0.66 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3dk3 h PHE 283 CO 0.02 0.82 -0.51 -0.07 -2.23 0.00 0.00 178.31 176.34 3dk3 h LEU 284 N 0.66 0.00 -0.47 0.59 3.38 -1.07 -2.41 115.31 115.99 3dk3 h LEU 284 Ca 0.14 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3dk3 h LEU 284 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3dk3 h LEU 284 CO 0.02 0.51 0.05 0.50 0.09 0.00 0.00 178.44 179.60 3dk3 h LYS 285 N 0.00 0.80 -0.78 1.13 1.63 -1.23 -2.09 116.57 116.04 3dk3 h LYS 285 Ca -0.01 -0.23 -0.01 0.00 -0.85 0.00 0.00 60.65 59.55 3dk3 h LYS 285 Cb 0.93 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.44 3dk3 h LYS 285 CO 0.07 0.83 0.44 0.93 -3.45 0.00 0.00 179.45 178.27 3dk3 h GLU 286 N 0.66 1.07 -0.76 1.90 5.08 -1.21 -1.70 114.58 119.62 3dk3 h GLU 286 Ca 0.14 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3dk3 h GLU 286 Cb 0.44 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3dk3 h GLU 286 CO 0.02 0.78 0.25 0.00 -1.00 0.00 0.00 179.01 179.05 3dk3 h ALA 287 N 1.23 1.00 -0.42 3.43 0.00 -1.30 -1.22 119.26 121.98 3dk3 h ALA 287 Ca 0.28 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 3dk3 h ALA 287 Cb 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3dk3 h ALA 287 CO -0.05 0.67 -0.31 0.00 0.00 0.00 0.00 179.25 179.57 3dk3 h ALA 288 N 1.13 0.65 -0.57 0.00 0.00 -1.19 -2.92 119.26 116.36 3dk3 h ALA 288 Ca 0.25 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3dk3 h ALA 288 Cb 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3dk3 h ALA 288 CO -0.01 0.68 0.19 0.28 0.00 0.00 0.00 179.25 180.39 3dk3 h VAL 289 N 0.79 1.23 0.00 0.00 2.07 -1.16 -2.97 116.25 116.22 3dk3 h VAL 289 Ca 0.08 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3dk3 h VAL 289 Cb 0.89 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3dk3 h VAL 289 CO 0.08 0.29 -0.10 0.24 0.02 0.00 0.00 177.57 178.10 3dk3 h MET 290 N 0.79 0.00 0.00 1.57 2.86 -1.17 -2.46 114.93 116.52 3dk3 h MET 290 Ca 0.19 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.72 3dk3 h MET 290 Cb 0.26 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 3dk3 h MET 290 CO -0.01 0.10 -0.52 0.87 1.06 0.00 0.00 176.91 178.41 3dk3 h LYS 291 N 0.00 0.00 0.00 1.72 1.57 -1.34 -3.23 116.57 115.28 3dk3 h LYS 291 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dk3 h LYS 291 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3dk3 h LYS 291 CO 0.01 0.52 -0.82 0.93 -0.57 0.00 0.00 179.45 179.53 3dk3 h GLU 292 N 0.00 0.00 -5.95 3.15 5.08 -1.50 -3.46 114.58 111.90 3dk3 h GLU 292 Ca -0.01 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.76 3dk3 h GLU 292 Cb 0.97 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.14 3dk3 h GLU 292 CO 0.07 0.00 0.57 0.42 -1.00 0.00 0.00 179.01 179.07 3dk3 s ILE 293 N -3.25 4.71 -0.30 3.13 -1.09 -1.17 -5.01 121.20 118.24 3dk3 s ILE 293 Ca 0.03 1.48 -0.03 0.00 -2.23 0.00 0.00 60.65 59.90 3dk3 s ILE 293 Cb 0.12 -4.23 0.10 0.00 -1.58 0.00 0.00 42.46 36.87 3dk3 s ILE 293 CO 0.76 -0.28 0.13 -0.75 -1.23 0.00 0.00 174.94 173.57 3dk3 s LYS 294 N 3.15 0.30 -0.14 2.79 2.20 -1.26 -4.77 119.74 121.99 3dk3 s LYS 294 Ca 0.37 -0.66 -0.14 0.00 -0.36 0.00 0.00 55.97 55.18 3dk3 s LYS 294 Cb -0.14 -1.30 0.04 0.00 -1.51 0.00 0.00 37.83 34.92 3dk3 s LYS 294 CO 0.12 -1.02 0.40 -1.58 -0.36 0.00 0.00 175.35 172.91 3dk3 s HIS 295 N 1.97 -0.43 0.59 4.03 2.46 -1.26 -5.05 115.29 117.59 3dk3 s HIS 295 Ca 0.10 1.04 0.28 0.00 0.47 0.00 0.00 55.06 56.95 3dk3 s HIS 295 Cb -0.17 0.15 1.64 0.00 -0.13 0.00 0.00 32.58 34.08 3dk3 s HIS 295 CO -0.33 -0.23 2.10 -1.00 -2.47 0.00 0.00 174.74 172.81 3dk3 h PRO 296 N 5.38 0.00 -0.34 2.88 0.13 -2.00 -2.42 132.00 135.63 3dk3 h PRO 296 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 3dk3 h PRO 296 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3dk3 h PRO 296 CO 0.26 0.00 0.01 0.09 -0.23 0.00 0.00 178.00 178.13 3dk3 n ASN 297 N -3.82 4.14 -4.12 1.44 4.13 -1.26 -4.88 115.26 110.90 3dk3 n ASN 297 Ca 0.02 -3.07 -0.26 0.00 1.68 0.00 0.00 54.58 52.95 3dk3 n ASN 297 Cb 0.33 -0.58 -0.16 0.00 -1.54 0.00 0.00 39.78 37.83 3dk3 n ASN 297 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3dk3 s LEU 298 N -2.86 1.88 -0.00 3.41 1.43 -0.91 -1.07 118.68 120.55 3dk3 s LEU 298 Ca 0.45 -0.35 -0.35 0.00 -1.03 0.00 0.00 54.13 52.85 3dk3 s LEU 298 Cb 0.36 -0.95 -0.13 0.00 0.03 0.00 0.00 46.19 45.50 3dk3 s LEU 298 CO 0.10 0.13 1.70 0.52 0.23 0.00 0.00 176.35 179.03 3dk3 n VAL 299 N 3.27 0.28 -3.00 -1.59 0.31 -1.12 -4.60 118.33 111.88 3dk3 n VAL 299 Ca -0.19 -0.05 -0.40 0.00 -0.01 0.00 0.00 64.34 63.69 3dk3 n VAL 299 Cb 0.53 -1.57 -0.05 0.00 -0.91 0.00 0.00 33.84 31.83 3dk3 n VAL 299 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3dk3 s GLN 300 N 2.50 4.49 0.32 5.55 2.00 -1.26 -4.88 119.66 128.38 3dk3 s GLN 300 Ca 0.87 1.05 -0.27 0.00 -2.00 0.00 0.00 55.36 55.02 3dk3 s GLN 300 Cb -0.75 -3.34 -0.09 0.00 0.80 0.00 0.00 33.01 29.62 3dk3 s GLN 300 CO 0.48 0.35 1.03 -1.17 -0.50 0.00 0.00 175.29 175.47 3dk3 s LEU 301 N -0.29 4.38 -0.07 3.68 2.96 -1.26 -2.08 118.68 126.01 3dk3 s LEU 301 Ca 0.37 2.05 0.00 0.00 -0.22 0.00 0.00 54.13 56.34 3dk3 s LEU 301 Cb -0.21 -3.90 -0.04 0.00 0.50 0.00 0.00 46.19 42.54 3dk3 s LEU 301 CO 0.23 -0.20 -0.06 0.18 -1.32 0.00 0.00 176.35 175.18 3dk3 n LEU 302 N 0.67 2.83 -3.71 -0.68 4.77 0.52 -4.90 117.00 116.49 3dk3 n LEU 302 Ca 0.01 -0.03 -0.04 0.00 -0.03 0.00 0.00 56.01 55.93 3dk3 n LEU 302 Cb 0.48 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 3dk3 n LEU 302 CO 0.48 0.59 0.73 -0.83 -1.33 0.00 0.00 177.39 177.03 3dk3 s GLY 303 N -4.70 -0.27 0.05 -0.72 0.00 -0.95 -4.97 107.32 95.76 3dk3 s GLY 303 Ca -0.09 0.27 -0.01 0.00 0.00 0.00 0.00 44.72 44.89 3dk3 s GLY 303 CO 0.16 0.05 -0.03 -1.34 0.00 0.00 0.00 173.10 171.94 3dk3 s VAL 304 N -3.23 0.25 -0.36 1.40 -7.23 -0.72 -0.42 120.40 110.09 3dk3 s VAL 304 Ca 0.11 -1.70 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 3dk3 s VAL 304 Cb -0.01 -1.36 0.11 0.00 0.56 0.00 0.00 36.38 35.68 3dk3 s VAL 304 CO 0.00 -0.92 0.15 0.00 -0.31 0.00 0.00 175.10 174.03 3dk3 n THR 306 N 4.28 1.17 -0.08 0.00 -2.24 -1.26 -1.86 114.28 114.28 3dk3 n THR 306 Ca 0.03 -1.20 -0.17 0.00 -2.27 0.00 0.00 64.05 60.44 3dk3 n THR 306 Cb 0.39 0.37 -0.12 0.00 -2.10 0.00 0.00 70.33 68.87 3dk3 n THR 306 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3dk3 h ARG 307 N 0.62 0.00 -3.43 -0.78 3.08 -1.94 -3.49 114.38 108.44 3dk3 h ARG 307 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 3dk3 h ARG 307 Cb 0.67 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.50 3dk3 h ARG 307 CO 0.01 1.00 -0.49 -1.21 -1.07 0.00 0.00 179.97 178.21 3dk3 s GLU 308 N -2.27 0.41 0.43 0.04 8.01 -1.26 -5.15 118.70 118.91 3dk3 s GLU 308 Ca -0.22 -0.20 -0.26 0.00 0.01 0.00 0.00 54.97 54.29 3dk3 s GLU 308 Cb 0.00 0.18 -0.09 0.00 -4.31 0.00 0.00 34.13 29.91 3dk3 s GLU 308 CO 0.65 -0.09 1.41 -2.14 0.01 0.00 0.00 175.26 175.10 3dk3 s PRO 309 N -0.95 3.80 0.35 0.39 0.02 -1.26 -4.15 135.00 133.19 3dk3 s PRO 309 Ca -0.10 2.39 -0.26 0.00 0.02 0.00 0.00 61.00 63.05 3dk3 s PRO 309 Cb -0.06 -2.72 -0.09 0.00 0.02 0.00 0.00 34.50 31.65 3dk3 s PRO 309 CO 0.01 -0.71 1.06 -2.14 -0.33 0.00 0.00 177.00 174.89 3dk3 s PRO 310 N -2.36 4.38 0.06 5.54 0.02 -1.26 -5.15 135.00 136.24 3dk3 s PRO 310 Ca 0.59 1.62 -0.22 0.00 0.02 0.00 0.00 61.00 63.01 3dk3 s PRO 310 Cb -0.43 -2.82 -0.06 0.00 0.02 0.00 0.00 34.50 31.20 3dk3 s PRO 310 CO 0.56 0.03 0.66 -0.06 -0.33 0.00 0.00 177.00 177.86 3dk3 s PHE 311 N -1.45 3.77 -0.03 6.54 0.40 -1.26 -4.93 117.98 121.02 3dk3 s PHE 311 Ca 0.52 1.36 0.07 0.00 -0.60 0.00 0.00 56.93 58.28 3dk3 s PHE 311 Cb -0.26 -2.65 -0.02 0.00 0.51 0.00 0.00 43.02 40.60 3dk3 s PHE 311 CO 0.33 0.44 -0.25 0.71 0.70 0.00 0.00 175.22 177.15 3dk3 s TYR 312 N -0.61 2.38 -0.20 0.36 4.12 -0.78 -3.63 117.35 118.99 3dk3 s TYR 312 Ca 0.33 -0.44 0.01 0.00 0.02 0.00 0.00 57.07 56.99 3dk3 s TYR 312 Cb -0.20 -1.53 0.04 0.00 -1.52 0.00 0.00 41.96 38.76 3dk3 s TYR 312 CO 0.21 -0.03 -0.10 0.42 0.02 0.00 0.00 175.55 176.06 3dk3 s ILE 313 N -0.57 1.65 -0.22 2.71 1.01 -0.53 -1.25 121.20 124.00 3dk3 s ILE 313 Ca 0.09 -1.05 -0.06 0.00 0.00 0.00 0.00 60.65 59.63 3dk3 s ILE 313 Cb -0.10 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 3dk3 s ILE 313 CO -0.00 0.14 0.04 -0.63 0.00 0.00 0.00 174.94 174.48 3dk3 s ILE 314 N 1.38 4.20 0.34 2.92 1.01 0.44 -0.84 121.20 130.66 3dk3 s ILE 314 Ca -0.02 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.45 3dk3 s ILE 314 Cb -0.17 -2.93 -0.06 0.00 0.01 0.00 0.00 42.46 39.32 3dk3 s ILE 314 CO -0.08 0.39 0.07 0.42 0.00 0.00 0.00 174.94 175.74 3dk3 s THR 315 N 1.19 1.08 0.57 2.92 -4.23 0.48 -0.36 115.64 117.28 3dk3 s THR 315 Ca 0.04 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.35 3dk3 s THR 315 Cb -0.14 -2.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 3dk3 s THR 315 CO 0.02 0.00 1.25 -1.83 -0.54 0.00 0.00 174.62 173.52 3dk3 s GLU 316 N -3.87 3.10 -0.13 3.99 -1.05 -0.88 -0.86 118.70 119.00 3dk3 s GLU 316 Ca 0.34 1.95 -0.16 0.00 -0.15 0.00 0.00 54.97 56.95 3dk3 s GLU 316 Cb 0.08 -2.08 -0.05 0.00 -0.44 0.00 0.00 34.13 31.64 3dk3 s GLU 316 CO 0.15 -1.14 0.38 0.12 0.95 0.00 0.00 175.26 175.72 3dk3 s PHE 317 N -1.49 3.51 -0.43 4.83 5.36 -1.25 -4.24 117.98 124.28 3dk3 s PHE 317 Ca 0.74 0.76 -0.16 0.00 -0.96 0.00 0.00 56.93 57.31 3dk3 s PHE 317 Cb -0.33 -2.43 0.03 0.00 -0.34 0.00 0.00 43.02 39.95 3dk3 s PHE 317 CO 0.38 0.25 0.38 -1.64 -1.46 0.00 0.00 175.22 173.13 3dk3 s MET 318 N 0.39 3.02 0.36 10.12 -1.94 -1.26 -4.98 119.30 125.02 3dk3 s MET 318 Ca 0.21 -0.99 0.06 0.00 -1.71 0.00 0.00 55.69 53.26 3dk3 s MET 318 Cb -0.14 -4.01 0.74 0.00 2.01 0.00 0.00 34.83 33.42 3dk3 s MET 318 CO 0.07 -0.87 1.97 1.79 -0.01 0.00 0.00 175.02 177.98 3dk3 h THR 319 N 5.70 1.04 -0.44 2.05 1.35 -1.92 -2.42 112.91 118.28 3dk3 h THR 319 Ca -0.27 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3dk3 h THR 319 Cb 1.11 0.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 3dk3 h THR 319 CO 0.79 0.14 0.00 -1.22 -0.25 0.00 0.00 175.52 174.98 3dk3 n TYR 320 N -4.47 0.58 -4.34 4.73 4.02 -0.74 -5.05 117.16 111.88 3dk3 n TYR 320 Ca 0.10 -0.29 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 3dk3 n TYR 320 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 3dk3 n TYR 320 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dk3 n GLY 321 N 1.29 -0.04 3.89 2.72 0.00 -0.91 -4.67 105.19 107.47 3dk3 n GLY 321 Ca 0.17 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 3dk3 n GLY 321 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dk3 s ASN 322 N -4.00 6.07 0.29 1.61 2.20 -1.26 -0.15 114.94 119.70 3dk3 s ASN 322 Ca 0.00 1.14 0.04 0.00 -0.94 0.00 0.00 52.86 53.10 3dk3 s ASN 322 Cb 0.00 -2.24 0.45 0.00 -2.00 0.00 0.00 41.25 37.45 3dk3 s ASN 322 CO 0.00 -0.85 1.73 0.25 -2.94 0.00 0.00 177.10 175.28 3dk3 h LEU 323 N -0.17 0.40 0.22 3.54 5.85 0.50 -2.34 115.31 123.31 3dk3 h LEU 323 Ca -0.45 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.12 3dk3 h LEU 323 Cb 1.21 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3dk3 h LEU 323 CO 0.62 0.68 -0.11 0.25 -0.34 0.00 0.00 178.44 179.54 3dk3 h LEU 324 N 0.34 -0.25 -0.93 2.25 5.85 -1.75 -0.38 115.31 120.44 3dk3 h LEU 324 Ca 0.05 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 3dk3 h LEU 324 Cb 0.69 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 3dk3 h LEU 324 CO 0.05 -0.11 0.19 0.44 -0.34 0.00 0.00 178.44 178.67 3dk3 h ASP 325 N -0.38 0.90 -0.00 1.25 3.32 -1.89 -2.77 116.42 116.85 3dk3 h ASP 325 Ca -0.03 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 3dk3 h ASP 325 Cb 0.29 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3dk3 h ASP 325 CO 0.05 0.85 0.00 0.22 -1.72 0.00 0.00 179.24 178.64 3dk3 h TYR 326 N 0.93 0.00 -0.33 4.55 3.20 -1.20 -2.62 116.97 121.50 3dk3 h TYR 326 Ca 0.21 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 3dk3 h TYR 326 Cb 0.28 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 3dk3 h TYR 326 CO 0.02 0.08 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.53 3dk3 h LEU 327 N -0.08 0.49 -1.03 2.82 3.38 -1.04 -0.74 115.31 119.11 3dk3 h LEU 327 Ca 0.00 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 3dk3 h LEU 327 Cb 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3dk3 h LEU 327 CO -0.00 0.58 -0.48 0.03 0.09 0.00 0.00 178.44 178.66 3dk3 h ARG 328 N 0.50 0.00 0.00 1.13 3.08 -1.38 -3.29 114.38 114.42 3dk3 h ARG 328 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3dk3 h ARG 328 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3dk3 h ARG 328 CO 0.01 0.48 -1.12 0.39 -1.07 0.00 0.00 179.97 178.67 3dk3 n GLU 329 N -3.95 1.08 -1.36 0.04 1.02 -1.00 -5.04 120.64 111.44 3dk3 n GLU 329 Ca -0.02 -0.05 -0.31 0.00 -0.02 0.00 0.00 57.16 56.76 3dk3 n GLU 329 Cb 0.50 -1.35 0.08 0.00 -0.02 0.00 0.00 31.44 30.66 3dk3 n GLU 329 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dk3 s ASN 331 N -3.38 6.95 0.00 0.00 3.84 -1.26 -4.94 114.94 116.14 3dk3 s ASN 331 Ca 0.61 1.12 0.24 0.00 0.21 0.00 0.00 52.86 55.04 3dk3 s ASN 331 Cb -0.17 -2.51 1.11 0.00 -0.55 0.00 0.00 41.25 39.12 3dk3 s ASN 331 CO 0.54 -0.73 1.79 0.54 -2.79 0.00 0.00 177.10 176.46 3dk3 n ARG 332 N 6.49 0.12 0.11 0.43 1.74 -1.26 -0.36 116.66 123.93 3dk3 n ARG 332 Ca 0.10 0.07 -0.23 0.00 -0.77 0.00 0.00 57.85 57.03 3dk3 n ARG 332 Cb 0.47 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.26 3dk3 n ARG 332 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3dk3 h GLN 333 N 0.00 0.52 0.25 5.56 7.50 -1.93 -3.31 115.11 123.70 3dk3 h GLN 333 Ca 0.00 -0.81 -0.01 0.00 0.50 0.00 0.00 58.65 58.33 3dk3 h GLN 333 Cb 0.35 0.29 0.00 0.00 0.05 0.00 0.00 27.48 28.18 3dk3 h GLN 333 CO 0.00 1.38 -0.12 1.49 -1.50 0.00 0.00 178.83 180.08 3dk3 h GLU 334 N 0.07 -0.32 -4.94 1.46 4.81 -1.72 -3.35 114.58 110.59 3dk3 h GLU 334 Ca -0.21 0.02 -0.72 0.00 -0.13 0.00 0.00 59.36 58.32 3dk3 h GLU 334 Cb 1.97 0.07 -0.17 0.00 0.63 0.00 0.00 28.75 31.26 3dk3 h GLU 334 CO 0.24 0.01 1.32 0.08 -0.73 0.00 0.00 179.01 179.93 3dk3 s VAL 335 N -4.60 4.86 0.37 0.32 1.01 0.51 -4.89 120.40 117.98 3dk3 s VAL 335 Ca -0.14 -2.31 -0.01 0.00 0.00 0.00 0.00 61.98 59.52 3dk3 s VAL 335 Cb 0.02 -4.91 0.07 0.00 0.00 0.00 0.00 36.38 31.56 3dk3 s VAL 335 CO 0.56 -1.64 0.51 -1.54 0.00 0.00 0.00 175.10 172.99 3dk3 n SER 336 N 6.15 0.63 -0.31 3.32 3.41 -1.25 -4.55 113.62 121.03 3dk3 n SER 336 Ca 0.35 -1.54 0.04 0.00 -0.26 0.00 0.00 58.87 57.45 3dk3 n SER 336 Cb 0.45 -0.33 0.18 0.00 -0.26 0.00 0.00 64.21 64.24 3dk3 n SER 336 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dk3 h ALA 337 N -0.62 1.24 -0.16 7.33 0.00 -1.85 -1.56 119.26 123.64 3dk3 h ALA 337 Ca -0.17 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3dk3 h ALA 337 Cb 0.61 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3dk3 h ALA 337 CO 0.17 0.12 -0.34 -0.24 0.00 0.00 0.00 179.25 178.96 3dk3 h VAL 338 N 0.83 1.29 -0.42 0.00 3.04 -1.86 -2.29 116.25 116.84 3dk3 h VAL 338 Ca 0.42 -1.39 -0.12 0.00 -1.01 0.00 0.00 66.70 64.59 3dk3 h VAL 338 Cb 0.38 1.55 -0.01 0.00 -2.01 0.00 0.00 31.29 31.20 3dk3 h VAL 338 CO -0.25 0.42 -0.24 0.58 -1.01 0.00 0.00 177.57 177.08 3dk3 h VAL 339 N 0.28 1.27 -0.81 1.51 2.07 -1.68 0.44 116.25 119.34 3dk3 h VAL 339 Ca 0.03 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.15 3dk3 h VAL 339 Cb 0.74 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 3dk3 h VAL 339 CO 0.06 0.46 0.40 -0.07 0.02 0.00 0.00 177.57 178.44 3dk3 h LEU 340 N 0.74 1.05 -0.75 2.57 3.38 -1.11 -0.00 115.31 121.18 3dk3 h LEU 340 Ca 0.10 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3dk3 h LEU 340 Cb 0.78 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3dk3 h LEU 340 CO 0.06 0.88 -0.10 -0.07 0.09 0.00 0.00 178.44 179.31 3dk3 h LEU 341 N 1.14 0.84 -0.48 1.67 3.38 -1.18 -2.48 115.31 118.20 3dk3 h LEU 341 Ca 0.28 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3dk3 h LEU 341 Cb 0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3dk3 h LEU 341 CO -0.04 0.96 0.00 0.22 0.09 0.00 0.00 178.44 179.68 3dk3 h TYR 342 N 0.77 0.92 -0.48 1.13 3.20 -0.47 -1.11 116.97 120.93 3dk3 h TYR 342 Ca 0.13 -0.16 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 3dk3 h TYR 342 Cb 0.60 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 3dk3 h TYR 342 CO 0.03 0.88 0.22 0.52 -1.64 0.00 0.00 178.16 178.17 3dk3 h MET 343 N 0.71 0.70 -0.58 1.82 2.86 -0.97 -1.85 114.93 117.62 3dk3 h MET 343 Ca 0.14 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 3dk3 h MET 343 Cb 0.50 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 3dk3 h MET 343 CO 0.02 0.60 0.11 0.00 1.06 0.00 0.00 176.91 178.70 3dk3 h ALA 344 N 1.07 1.11 -0.56 6.32 0.00 -1.32 -1.88 119.26 124.00 3dk3 h ALA 344 Ca 0.16 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3dk3 h ALA 344 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3dk3 h ALA 344 CO -0.02 0.59 0.05 1.15 0.00 0.00 0.00 179.25 181.02 3dk3 h THR 345 N 0.87 1.26 -0.24 0.00 2.02 -1.03 -1.54 112.91 114.24 3dk3 h THR 345 Ca 0.18 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 3dk3 h THR 345 Cb 0.36 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3dk3 h THR 345 CO 0.00 0.38 0.11 1.56 0.37 0.00 0.00 175.52 177.94 3dk3 h GLN 346 N 0.85 0.35 -0.39 6.66 4.20 -1.12 -1.86 115.11 123.80 3dk3 h GLN 346 Ca 0.16 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 3dk3 h GLN 346 Cb 0.48 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3dk3 h GLN 346 CO 0.02 0.37 0.04 0.82 -0.67 0.00 0.00 178.83 179.41 3dk3 h ILE 347 N 0.26 1.25 0.00 2.54 2.04 -1.28 -2.61 117.51 119.70 3dk3 h ILE 347 Ca 0.08 -0.91 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 3dk3 h ILE 347 Cb 0.14 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3dk3 h ILE 347 CO -0.01 0.31 -0.26 0.77 0.00 0.00 0.00 178.15 178.96 3dk3 h SER 348 N 0.50 0.00 -0.33 1.72 4.64 -1.28 -1.88 113.55 116.92 3dk3 h SER 348 Ca 0.12 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.37 3dk3 h SER 348 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3dk3 h SER 348 CO 0.01 0.26 -0.07 -1.28 -0.87 0.00 0.00 176.83 174.88 3dk3 h SER 349 N 0.00 0.62 -0.58 4.97 0.87 -1.14 -0.54 113.55 117.76 3dk3 h SER 349 Ca -0.00 -0.36 -0.05 0.00 -1.23 0.00 0.00 61.79 60.15 3dk3 h SER 349 Cb 0.60 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 3dk3 h SER 349 CO 0.03 0.84 0.19 0.00 -0.53 0.00 0.00 176.83 177.36 3dk3 h ALA 350 N 0.81 1.17 0.00 6.23 0.00 -1.09 -2.20 119.26 124.18 3dk3 h ALA 350 Ca 0.08 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 3dk3 h ALA 350 Cb 0.56 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3dk3 h ALA 350 CO 0.03 0.58 -0.70 0.52 0.00 0.00 0.00 179.25 179.67 3dk3 h MET 351 N 0.91 0.00 -0.54 0.00 2.86 -1.29 -2.36 114.93 114.51 3dk3 h MET 351 Ca 0.20 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.73 3dk3 h MET 351 Cb 0.27 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 3dk3 h MET 351 CO -0.01 0.70 -0.12 1.49 1.06 0.00 0.00 176.91 180.04 3dk3 h GLU 352 N 0.00 1.03 -0.39 1.72 4.81 -0.93 -0.62 114.58 120.21 3dk3 h GLU 352 Ca -0.01 -0.39 0.02 0.00 -0.13 0.00 0.00 59.36 58.86 3dk3 h GLU 352 Cb 1.38 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 3dk3 h GLU 352 CO 0.09 1.08 0.21 -0.92 -0.73 0.00 0.00 179.01 178.74 3dk3 h TYR 353 N 0.91 0.39 -0.40 0.92 3.20 -1.28 -1.99 116.97 118.73 3dk3 h TYR 353 Ca 0.14 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.91 3dk3 h TYR 353 Cb 0.69 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 3dk3 h TYR 353 CO 0.05 0.22 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.51 3dk3 h LEU 354 N 0.43 0.79 -0.25 2.82 3.38 -1.34 -1.99 115.31 119.16 3dk3 h LEU 354 Ca 0.16 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.90 3dk3 h LEU 354 Cb 0.04 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 3dk3 h LEU 354 CO -0.09 0.98 -0.07 -0.08 0.09 0.00 0.00 178.44 179.27 3dk3 h GLU 355 N 0.69 -0.02 -0.27 1.13 4.81 -0.91 0.12 114.58 120.12 3dk3 h GLU 355 Ca 0.10 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 3dk3 h GLU 355 Cb 0.72 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 3dk3 h GLU 355 CO 0.06 -0.01 -0.29 0.87 -0.73 0.00 0.00 179.01 178.90 3dk3 h LYS 356 N -0.02 0.56 -0.05 1.92 1.57 -1.26 -3.08 116.57 116.20 3dk3 h LYS 356 Ca 0.12 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3dk3 h LYS 356 Cb 0.20 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3dk3 h LYS 356 CO -0.26 0.79 0.00 1.63 -0.57 0.00 0.00 179.45 181.04 3dk3 n LYS 357 N -4.09 1.21 -3.05 3.15 4.76 -0.76 -4.90 118.16 114.49 3dk3 n LYS 357 Ca -0.01 -0.32 -0.21 0.00 -2.87 0.00 0.00 58.31 54.90 3dk3 n LYS 357 Cb 0.44 -1.29 0.04 0.00 -1.84 0.00 0.00 35.03 32.38 3dk3 n LYS 357 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3dk3 n ASN 358 N -0.44 -5.87 -4.75 4.39 3.02 -0.94 -4.92 115.26 105.76 3dk3 n ASN 358 Ca 0.13 -0.30 -0.26 0.00 -0.03 0.00 0.00 54.58 54.12 3dk3 n ASN 358 Cb 0.13 -4.66 -0.06 0.00 -0.61 0.00 0.00 39.78 34.58 3dk3 n ASN 358 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3dk3 s PHE 359 N -3.16 3.02 0.14 3.10 0.40 -0.01 -1.00 117.98 120.46 3dk3 s PHE 359 Ca 0.32 -0.08 0.06 0.00 -0.60 0.00 0.00 56.93 56.64 3dk3 s PHE 359 Cb -0.14 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 3dk3 s PHE 359 CO 0.40 0.52 -0.14 0.96 0.70 0.00 0.00 175.22 177.67 3dk3 s ILE 360 N -1.81 1.38 -0.21 0.64 -4.36 0.07 -4.24 121.20 112.66 3dk3 s ILE 360 Ca 0.30 -1.83 -0.16 0.00 -0.26 0.00 0.00 60.65 58.70 3dk3 s ILE 360 Cb -0.09 -1.65 -0.09 0.00 1.25 0.00 0.00 42.46 41.88 3dk3 s ILE 360 CO 0.22 -0.48 -0.26 1.57 0.24 0.00 0.00 174.94 176.23 3dk3 n HIS 361 N 0.31 0.28 -0.63 1.37 -0.00 -1.26 -1.51 115.22 113.77 3dk3 n HIS 361 Ca -0.14 0.12 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 3dk3 n HIS 361 Cb 0.58 -0.77 0.00 0.00 -0.00 0.00 0.00 29.99 29.80 3dk3 n HIS 361 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3dk3 n ARG 362 N -4.42 0.00 -2.73 1.57 1.74 -1.26 -4.61 116.66 106.95 3dk3 n ARG 362 Ca -0.28 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.76 3dk3 n ARG 362 Cb 0.61 -2.52 0.07 0.00 -1.02 0.00 0.00 32.46 29.60 3dk3 n ARG 362 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3dk3 n ASP 363 N 0.00 0.42 -4.66 0.55 2.03 -1.26 -5.02 116.55 108.61 3dk3 n ASP 363 Ca 0.00 -2.35 -0.43 0.00 0.52 0.00 0.00 54.79 52.53 3dk3 n ASP 363 Cb 0.00 -0.04 -0.02 0.00 -0.72 0.00 0.00 41.12 40.34 3dk3 n ASP 363 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3dk3 s LEU 364 N -3.54 4.13 0.10 -2.67 2.96 -1.26 -4.75 118.68 113.65 3dk3 s LEU 364 Ca 0.23 1.58 -0.26 0.00 -0.22 0.00 0.00 54.13 55.46 3dk3 s LEU 364 Cb 0.40 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.63 3dk3 s LEU 364 CO -0.04 -0.79 0.85 0.00 -1.32 0.00 0.00 176.35 175.05 3dk3 s ALA 365 N 3.58 -1.68 0.44 5.97 0.00 -1.26 -4.69 121.76 124.11 3dk3 s ALA 365 Ca 0.53 0.52 0.09 0.00 0.00 0.00 0.00 51.96 53.11 3dk3 s ALA 365 Cb -0.20 0.60 0.96 0.00 0.00 0.00 0.00 23.12 24.48 3dk3 s ALA 365 CO 0.14 -0.85 2.07 0.00 0.00 0.00 0.00 175.76 177.13 3dk3 h ALA 366 N 2.00 1.76 0.00 0.00 0.00 -1.92 -0.54 119.26 120.55 3dk3 h ALA 366 Ca -0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3dk3 h ALA 366 Cb 1.25 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3dk3 h ALA 366 CO 0.29 0.21 -0.07 0.07 0.00 0.00 0.00 179.25 179.76 3dk3 h ARG 367 N 0.39 0.00 -0.37 0.00 0.11 -1.95 -2.48 114.38 110.08 3dk3 h ARG 367 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 3dk3 h ARG 367 Cb -0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.07 3dk3 h ARG 367 CO -0.02 0.07 0.00 0.09 0.10 0.00 0.00 179.97 180.21 3dk3 n ASN 368 N -3.52 4.25 -4.50 0.08 3.02 -0.24 -4.77 115.26 109.58 3dk3 n ASN 368 Ca -0.02 -2.84 -0.33 0.00 -0.03 0.00 0.00 54.58 51.36 3dk3 n ASN 368 Cb 0.19 -0.54 -0.13 0.00 -0.61 0.00 0.00 39.78 38.69 3dk3 n ASN 368 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dk3 s LEU 370 N -0.39 2.20 -0.12 0.00 1.43 0.16 0.66 118.68 122.63 3dk3 s LEU 370 Ca 0.05 -0.61 -0.00 0.00 -1.03 0.00 0.00 54.13 52.54 3dk3 s LEU 370 Cb -0.12 -1.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 3dk3 s LEU 370 CO 0.02 0.25 -0.11 -0.69 0.23 0.00 0.00 176.35 176.05 3dk3 s VAL 371 N -0.85 3.23 0.00 -1.59 1.01 0.79 -0.45 120.40 122.54 3dk3 s VAL 371 Ca 0.12 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3dk3 s VAL 371 Cb -0.10 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.93 3dk3 s VAL 371 CO 0.03 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3dk3 n GLY 372 N 3.28 4.73 3.77 4.51 0.00 0.62 -1.79 105.19 120.31 3dk3 n GLY 372 Ca -0.18 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.49 3dk3 n GLY 372 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dk3 s GLU 373 N 2.19 3.86 -1.33 1.61 0.41 -1.26 -3.95 118.70 120.23 3dk3 s GLU 373 Ca 0.00 1.69 -0.02 0.00 -0.41 0.00 0.00 54.97 56.23 3dk3 s GLU 373 Cb 0.00 -2.42 -0.00 0.00 -1.78 0.00 0.00 34.13 29.93 3dk3 s GLU 373 CO 0.00 -0.45 0.59 -1.71 -0.49 0.00 0.00 175.26 173.21 3dk3 n ASN 374 N -0.41 -1.24 -2.55 -0.19 5.15 -1.26 -2.59 115.26 112.16 3dk3 n ASN 374 Ca 0.07 -0.91 -0.19 0.00 -0.60 0.00 0.00 54.58 52.94 3dk3 n ASN 374 Cb 0.49 -3.59 -0.00 0.00 -0.53 0.00 0.00 39.78 36.14 3dk3 n ASN 374 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3dk3 n HIS 375 N -4.30 -1.29 -2.38 1.20 8.25 -1.25 -4.96 115.22 110.49 3dk3 n HIS 375 Ca -0.28 0.10 -0.42 0.00 -0.26 0.00 0.00 57.72 56.86 3dk3 n HIS 375 Cb 0.67 -3.72 -0.03 0.00 1.12 0.00 0.00 29.99 28.03 3dk3 n HIS 375 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3dk3 s LEU 376 N -6.06 4.32 -0.11 2.41 2.96 -1.07 -4.78 118.68 116.35 3dk3 s LEU 376 Ca 0.07 1.97 0.03 0.00 -0.22 0.00 0.00 54.13 55.98 3dk3 s LEU 376 Cb -0.03 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 43.09 3dk3 s LEU 376 CO 0.08 -0.59 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.61 3dk3 s VAL 377 N 1.86 2.17 -0.02 1.68 1.01 -1.26 -0.27 120.40 125.57 3dk3 s VAL 377 Ca 0.59 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.65 3dk3 s VAL 377 Cb -0.28 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 3dk3 s VAL 377 CO 0.26 0.55 -0.19 -0.54 0.00 0.00 0.00 175.10 175.18 3dk3 s LYS 378 N 0.39 1.56 0.03 2.72 1.02 0.40 -4.67 119.74 121.20 3dk3 s LYS 378 Ca -0.17 -0.68 -0.28 0.00 0.02 0.00 0.00 55.97 54.86 3dk3 s LYS 378 Cb -0.18 -1.50 -0.05 0.00 -0.52 0.00 0.00 37.83 35.59 3dk3 s LYS 378 CO 0.08 0.41 0.88 0.08 -0.92 0.00 0.00 175.35 175.87 3dk3 s VAL 379 N -0.43 4.76 0.28 3.17 1.01 -0.24 0.37 120.40 129.33 3dk3 s VAL 379 Ca 0.07 1.86 -0.29 0.00 0.00 0.00 0.00 61.98 63.61 3dk3 s VAL 379 Cb -0.08 -4.23 -0.10 0.00 0.00 0.00 0.00 36.38 31.98 3dk3 s VAL 379 CO -0.01 0.27 1.37 0.00 0.00 0.00 0.00 175.10 176.73 3dk3 s ALA 380 N 0.42 3.56 -0.08 5.51 0.00 0.11 -2.79 121.76 128.49 3dk3 s ALA 380 Ca 0.45 1.28 0.24 0.00 0.00 0.00 0.00 51.96 53.93 3dk3 s ALA 380 Cb -0.21 -3.52 0.44 0.00 0.00 0.00 0.00 23.12 19.83 3dk3 s ALA 380 CO 0.26 -0.69 1.15 -0.40 0.00 0.00 0.00 175.76 176.08 3dk3 n ASP 381 N 1.65 1.04 -0.14 0.00 5.75 -1.26 -4.85 116.55 118.74 3dk3 n ASP 381 Ca 0.04 -2.01 -0.12 0.00 -0.01 0.00 0.00 54.79 52.69 3dk3 n ASP 381 Cb 0.41 -0.31 -0.01 0.00 -1.03 0.00 0.00 41.12 40.18 3dk3 n ASP 381 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 3dk3 h PHE 382 N 1.41 1.05 -0.82 2.11 0.05 -1.94 -3.35 116.94 115.45 3dk3 h PHE 382 Ca -0.22 -0.27 -0.45 0.00 3.82 0.00 0.00 57.97 60.85 3dk3 h PHE 382 Cb 1.69 -0.24 -0.26 0.00 2.00 0.00 0.00 35.95 39.15 3dk3 h PHE 382 CO 0.25 1.07 0.44 0.41 -0.18 0.00 0.00 178.31 180.30 3dk3 n GLY 383 N -0.04 4.83 3.77 -1.45 0.00 -1.26 -4.70 105.19 106.33 3dk3 n GLY 383 Ca -0.01 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 3dk3 n GLY 383 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dk3 s LEU 384 N -3.36 4.37 -0.09 0.99 1.43 -1.26 -4.87 118.68 115.89 3dk3 s LEU 384 Ca 0.54 2.59 0.05 0.00 -1.03 0.00 0.00 54.13 56.28 3dk3 s LEU 384 Cb 0.46 -3.75 -0.00 0.00 0.03 0.00 0.00 46.19 42.93 3dk3 s LEU 384 CO 0.06 -0.57 -0.24 -0.44 0.23 0.00 0.00 176.35 175.39 3dk3 s SER 385 N -0.67 3.09 0.07 2.29 0.01 -0.57 -4.97 113.70 112.95 3dk3 s SER 385 Ca 0.51 -0.54 -0.25 0.00 1.31 0.00 0.00 55.95 56.98 3dk3 s SER 385 Cb -0.37 -1.26 -0.06 0.00 0.21 0.00 0.00 66.02 64.54 3dk3 s SER 385 CO 0.49 0.18 0.76 -0.60 0.41 0.00 0.00 173.24 174.48 3dk3 s ARG 386 N 0.20 4.50 -0.67 12.44 3.52 -1.26 -0.75 118.95 136.93 3dk3 s ARG 386 Ca -0.15 1.08 -0.24 0.00 -0.13 0.00 0.00 55.73 56.29 3dk3 s ARG 386 Cb -0.17 -3.34 0.06 0.00 -1.56 0.00 0.00 34.95 29.94 3dk3 s ARG 386 CO 0.08 0.36 1.05 -0.51 -0.81 0.00 0.00 175.30 175.47 3dk3 s LEU 387 N -0.33 4.00 0.11 -0.88 1.43 -0.17 -4.90 118.68 117.93 3dk3 s LEU 387 Ca 0.38 -0.77 -0.17 0.00 -1.03 0.00 0.00 54.13 52.53 3dk3 s LEU 387 Cb -0.21 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 3dk3 s LEU 387 CO 0.24 -1.54 1.57 0.24 0.23 0.00 0.00 176.35 177.08 3dk3 h MET 388 N 9.68 0.55 -4.25 1.70 2.86 -1.95 -3.44 114.93 120.07 3dk3 h MET 388 Ca -0.28 -0.16 -0.26 0.00 -2.06 0.00 0.00 59.70 56.94 3dk3 h MET 388 Cb 1.06 -0.06 -0.24 0.00 0.06 0.00 0.00 31.60 32.43 3dk3 h MET 388 CO 1.20 0.66 -0.73 0.95 1.06 0.00 0.00 176.91 180.05 3dk3 s THR 389 N -5.10 0.34 0.00 2.22 -4.23 -1.26 -5.13 115.64 102.48 3dk3 s THR 389 Ca -0.13 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 3dk3 s THR 389 Cb 0.09 -0.38 0.00 0.00 1.34 0.00 0.00 72.50 73.55 3dk3 s THR 389 CO 0.76 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 3dk3 n GLY 390 N 2.10 -0.24 0.00 3.99 0.00 -1.26 -4.58 105.19 105.20 3dk3 n GLY 390 Ca -0.19 -1.05 0.04 0.00 0.00 0.00 0.00 46.02 44.82 3dk3 n GLY 390 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dk3 n ASP 391 N -1.66 2.70 -4.82 1.61 10.43 -1.26 -4.93 116.55 118.61 3dk3 n ASP 391 Ca 0.00 -0.09 -0.36 0.00 2.57 0.00 0.00 54.79 56.91 3dk3 n ASP 391 Cb 0.00 1.34 -0.07 0.00 1.84 0.00 0.00 41.12 44.23 3dk3 n ASP 391 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3dk3 s THR 392 N -2.49 5.12 -0.11 -3.53 2.01 -1.26 -4.41 115.64 110.97 3dk3 s THR 392 Ca -0.02 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.05 3dk3 s THR 392 Cb 0.06 -3.21 0.01 0.00 0.01 0.00 0.00 72.50 69.37 3dk3 s THR 392 CO 0.36 0.61 -0.17 0.12 -0.69 0.00 0.00 174.62 174.85 3dk3 s PHE 393 N -0.99 2.05 -0.23 4.92 5.36 0.30 -4.95 117.98 124.44 3dk3 s PHE 393 Ca 0.15 -0.94 -0.12 0.00 -0.96 0.00 0.00 56.93 55.06 3dk3 s PHE 393 Cb -0.12 -1.46 -0.05 0.00 -0.34 0.00 0.00 43.02 41.06 3dk3 s PHE 393 CO 0.04 -0.46 0.24 0.99 -1.46 0.00 0.00 175.22 174.57 3dk3 s THR 394 N 0.85 5.30 0.68 0.12 2.01 -1.26 0.48 115.64 123.83 3dk3 s THR 394 Ca -0.09 0.35 -0.13 0.00 0.31 0.00 0.00 61.69 62.12 3dk3 s THR 394 Cb -0.15 -3.58 0.01 0.00 0.01 0.00 0.00 72.50 68.79 3dk3 s THR 394 CO 0.00 0.30 1.09 0.00 -0.69 0.00 0.00 174.62 175.33 3dk3 s ALA 395 N 1.22 2.48 0.88 7.40 0.00 -0.90 -5.00 121.76 127.84 3dk3 s ALA 395 Ca 0.11 0.40 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 3dk3 s ALA 395 Cb -0.14 -3.28 0.13 0.00 0.00 0.00 0.00 23.12 19.83 3dk3 s ALA 395 CO 0.06 -1.32 1.17 -3.38 0.00 0.00 0.00 175.76 172.29 3dk3 s HIS 396 N -2.59 1.67 0.14 0.00 -3.43 -1.26 -4.89 115.29 104.93 3dk3 s HIS 396 Ca 0.64 1.76 -0.31 0.00 -0.80 0.00 0.00 55.06 56.35 3dk3 s HIS 396 Cb -0.18 -3.39 -0.11 0.00 -1.43 0.00 0.00 32.58 27.47 3dk3 s HIS 396 CO 0.46 -2.84 1.80 0.00 -2.00 0.00 0.00 174.74 172.16 3dk3 s ALA 397 N -2.49 3.79 -0.57 -1.38 0.00 -1.26 -2.39 121.76 117.46 3dk3 s ALA 397 Ca 0.69 1.47 0.00 0.00 0.00 0.00 0.00 51.96 54.11 3dk3 s ALA 397 Cb -0.25 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.13 3dk3 s ALA 397 CO 0.56 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.57 3dk3 n GLY 398 N 4.17 0.65 3.76 0.00 0.00 -1.26 -5.02 105.19 107.50 3dk3 n GLY 398 Ca 0.17 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 3dk3 n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dk3 s ALA 399 N -2.23 3.40 -0.14 4.61 0.00 -1.01 -5.04 121.76 121.37 3dk3 s ALA 399 Ca 0.00 0.99 -0.06 0.00 0.00 0.00 0.00 51.96 52.88 3dk3 s ALA 399 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 3dk3 s ALA 399 CO 0.00 -0.31 0.09 0.15 0.00 0.00 0.00 175.76 175.70 3dk3 s LYS 400 N -1.62 3.59 0.11 0.00 -0.14 -1.26 -5.06 119.74 115.36 3dk3 s LYS 400 Ca 0.47 -0.25 0.10 0.00 -1.36 0.00 0.00 55.97 54.92 3dk3 s LYS 400 Cb -0.34 -3.15 -0.04 0.00 -1.68 0.00 0.00 37.83 32.63 3dk3 s LYS 400 CO 0.44 0.57 -0.24 -0.06 -0.76 0.00 0.00 175.35 175.30 3dk3 s PHE 401 N -0.46 2.40 -0.73 3.18 2.99 -1.26 -5.07 117.98 119.04 3dk3 s PHE 401 Ca 0.11 -0.34 -0.26 0.00 0.00 0.00 0.00 56.93 56.44 3dk3 s PHE 401 Cb -0.12 -1.31 -0.04 0.00 0.00 0.00 0.00 43.02 41.55 3dk3 s PHE 401 CO 0.02 0.32 1.95 -1.25 -0.00 0.00 0.00 175.22 176.26 3dk3 s PRO 402 N -1.93 2.53 0.26 0.24 0.04 -1.26 -4.88 135.00 129.99 3dk3 s PRO 402 Ca 0.15 0.30 -0.03 0.00 0.04 0.00 0.00 61.00 61.46 3dk3 s PRO 402 Cb -0.10 -4.68 0.52 0.00 0.04 0.00 0.00 34.50 30.28 3dk3 s PRO 402 CO 0.07 -3.09 1.68 0.82 0.04 0.00 0.00 177.00 176.52 3dk3 h ILE 403 N 7.11 0.48 0.00 0.56 2.04 -1.94 -1.95 117.51 123.82 3dk3 h ILE 403 Ca -0.11 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3dk3 h ILE 403 Cb 1.10 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3dk3 h ILE 403 CO 1.20 0.05 0.00 0.29 0.00 0.00 0.00 178.15 179.69 3dk3 n LYS 404 N -5.16 0.11 0.00 2.37 5.02 -1.26 -1.74 118.16 117.51 3dk3 n LYS 404 Ca 0.16 0.32 0.07 0.00 -2.02 0.00 0.00 58.31 56.84 3dk3 n LYS 404 Cb 0.51 -1.70 -0.01 0.00 -0.02 0.00 0.00 35.03 33.81 3dk3 n LYS 404 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3dk3 n TRP 405 N -1.90 0.00 -3.44 2.13 8.01 -0.74 -4.97 117.44 116.52 3dk3 n TRP 405 Ca 0.03 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.85 3dk3 n TRP 405 Cb 0.22 0.00 -0.07 0.00 -2.01 0.00 0.00 31.31 29.45 3dk3 n TRP 405 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 3dk3 s THR 406 N -1.86 5.25 0.63 -0.99 2.01 -0.71 -3.94 115.64 116.03 3dk3 s THR 406 Ca 0.12 0.71 -0.18 0.00 0.31 0.00 0.00 61.69 62.65 3dk3 s THR 406 Cb 0.12 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.90 3dk3 s THR 406 CO 0.40 0.35 1.26 0.00 -0.69 0.00 0.00 174.62 175.94 3dk3 s ALA 407 N 0.64 2.43 0.22 7.40 0.00 -1.26 -4.80 121.76 126.40 3dk3 s ALA 407 Ca 0.20 1.13 -0.08 0.00 0.00 0.00 0.00 51.96 53.22 3dk3 s ALA 407 Cb -0.14 -3.51 0.35 0.00 0.00 0.00 0.00 23.12 19.81 3dk3 s ALA 407 CO 0.07 -1.45 1.73 -1.35 0.00 0.00 0.00 175.76 174.76 3dk3 h PRO 408 N 0.64 0.38 0.00 0.00 0.11 -1.95 -1.38 132.00 129.80 3dk3 h PRO 408 Ca -0.51 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 3dk3 h PRO 408 Cb 1.32 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3dk3 h PRO 408 CO 0.54 0.25 -0.24 1.05 -0.21 0.00 0.00 178.00 179.39 3dk3 h GLU 409 N 0.39 0.00 0.08 1.05 9.09 -1.88 -0.57 114.58 122.74 3dk3 h GLU 409 Ca 0.35 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.49 3dk3 h GLU 409 Cb 0.49 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.60 3dk3 h GLU 409 CO -0.36 0.24 -1.14 0.77 0.05 0.00 0.00 179.01 178.57 3dk3 h SER 410 N 0.00 0.70 -0.45 3.06 0.02 -1.30 -0.39 113.55 115.20 3dk3 h SER 410 Ca -0.00 -0.63 -0.07 0.00 -0.84 0.00 0.00 61.79 60.24 3dk3 h SER 410 Cb 0.59 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 3dk3 h SER 410 CO 0.03 1.45 -0.01 -0.07 -1.14 0.00 0.00 176.83 177.09 3dk3 h LEU 411 N 0.24 0.78 0.14 5.07 3.38 -0.99 -1.79 115.31 122.15 3dk3 h LEU 411 Ca -0.14 -0.31 -0.31 0.00 0.09 0.00 0.00 57.88 57.21 3dk3 h LEU 411 Cb 1.81 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.36 3dk3 h LEU 411 CO 0.21 0.91 -1.47 0.00 0.09 0.00 0.00 178.44 178.18 3dk3 h ALA 412 N 0.90 0.16 0.00 1.53 0.00 -1.16 -3.40 119.26 117.29 3dk3 h ALA 412 Ca 0.13 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 54.01 3dk3 h ALA 412 Cb 0.51 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3dk3 h ALA 412 CO 0.03 1.03 0.00 0.66 0.00 0.00 0.00 179.25 180.96 3dk3 n TYR 413 N -3.52 0.00 -1.80 0.00 4.02 -0.16 -5.00 117.16 110.70 3dk3 n TYR 413 Ca -0.15 -0.19 -0.17 0.00 -0.01 0.00 0.00 57.90 57.37 3dk3 n TYR 413 Cb 1.05 -0.02 -0.05 0.00 -0.02 0.00 0.00 39.34 40.30 3dk3 n TYR 413 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3dk3 n ASN 414 N -0.19 -4.71 -4.63 7.72 4.13 -0.67 -4.96 115.26 111.95 3dk3 n ASN 414 Ca 0.00 0.31 -0.39 0.00 1.68 0.00 0.00 54.58 56.17 3dk3 n ASN 414 Cb 0.29 -4.14 -0.08 0.00 -1.54 0.00 0.00 39.78 34.31 3dk3 n ASN 414 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3dk3 s LYS 415 N -3.98 4.09 0.05 3.52 3.01 -1.21 -2.13 119.74 123.10 3dk3 s LYS 415 Ca 0.00 0.29 0.08 0.00 -1.01 0.00 0.00 55.97 55.34 3dk3 s LYS 415 Cb 0.00 -3.62 -0.03 0.00 -1.01 0.00 0.00 37.83 33.16 3dk3 s LYS 415 CO 0.00 -0.27 -0.22 -0.06 0.51 0.00 0.00 175.35 175.30 3dk3 s PHE 416 N 2.06 2.44 0.26 3.18 0.40 0.18 -3.32 117.98 123.18 3dk3 s PHE 416 Ca 0.21 -0.33 -0.03 0.00 -0.60 0.00 0.00 56.93 56.18 3dk3 s PHE 416 Cb -0.16 -1.42 0.01 0.00 0.51 0.00 0.00 43.02 41.97 3dk3 s PHE 416 CO 0.09 0.21 0.39 -1.13 0.70 0.00 0.00 175.22 175.48 3dk3 n SER 417 N 1.59 -1.11 0.22 1.36 3.41 -1.26 0.11 113.62 117.95 3dk3 n SER 417 Ca -0.17 -2.33 0.07 0.00 -0.26 0.00 0.00 58.87 56.18 3dk3 n SER 417 Cb 0.52 2.01 0.53 0.00 -0.26 0.00 0.00 64.21 67.01 3dk3 n SER 417 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3dk3 h ILE 418 N 1.73 0.96 0.00 -1.33 6.09 -1.89 -2.72 117.51 120.35 3dk3 h ILE 418 Ca -0.20 -0.83 -0.09 0.00 -1.37 0.00 0.00 64.86 62.36 3dk3 h ILE 418 Cb 0.87 1.48 -0.01 0.00 0.47 0.00 0.00 36.82 39.62 3dk3 h ILE 418 CO 0.27 0.22 -0.43 0.11 -3.07 0.00 0.00 178.15 175.26 3dk3 h LYS 419 N 0.00 0.00 -0.01 2.19 1.79 -1.93 -1.08 116.57 117.53 3dk3 h LYS 419 Ca -0.00 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.29 3dk3 h LYS 419 Cb 0.46 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 3dk3 h LYS 419 CO 0.03 0.43 -0.79 0.66 -1.08 0.00 0.00 179.45 178.69 3dk3 h SER 420 N 0.00 0.14 -0.16 0.86 4.64 -1.87 -2.74 113.55 114.42 3dk3 h SER 420 Ca -0.00 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.14 3dk3 h SER 420 Cb 0.97 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 3dk3 h SER 420 CO 0.06 0.88 -0.08 0.44 -0.87 0.00 0.00 176.83 177.25 3dk3 h ASP 421 N 0.07 0.47 -0.55 4.97 3.32 -1.16 -2.45 116.42 121.09 3dk3 h ASP 421 Ca -0.02 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 3dk3 h ASP 421 Cb 1.39 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 3dk3 h ASP 421 CO 0.11 0.60 0.23 0.58 -1.72 0.00 0.00 179.24 179.05 3dk3 h VAL 422 N 0.46 1.22 -0.32 -1.35 2.07 -1.11 -0.49 116.25 116.73 3dk3 h VAL 422 Ca 0.09 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 66.99 3dk3 h VAL 422 Cb 0.43 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3dk3 h VAL 422 CO 0.02 0.26 0.10 -0.25 0.02 0.00 0.00 177.57 177.72 3dk3 h TRP 423 N 0.75 0.18 -0.29 1.57 2.91 -1.29 -2.09 115.95 117.69 3dk3 h TRP 423 Ca 0.19 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.16 3dk3 h TRP 423 Cb 0.18 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 28.78 3dk3 h TRP 423 CO 0.01 0.07 -0.08 0.00 -1.03 0.00 0.00 178.44 177.41 3dk3 h ALA 424 N 1.21 1.33 -0.72 2.65 0.00 -1.23 -2.20 119.26 120.29 3dk3 h ALA 424 Ca 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3dk3 h ALA 424 Cb 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3dk3 h ALA 424 CO -0.16 0.45 0.32 0.35 0.00 0.00 0.00 179.25 180.21 3dk3 h PHE 425 N 0.44 1.05 -0.91 0.00 3.57 -0.74 0.01 116.94 120.36 3dk3 h PHE 425 Ca 0.09 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3dk3 h PHE 425 Cb 0.41 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 3dk3 h PHE 425 CO 0.01 0.78 0.60 0.78 -2.23 0.00 0.00 178.31 178.26 3dk3 h GLY 426 N 1.09 1.27 1.54 2.40 0.00 -0.76 0.69 103.07 109.31 3dk3 h GLY 426 Ca 0.25 -0.48 -0.13 0.00 0.00 0.00 0.00 47.33 46.97 3dk3 h GLY 426 CO -0.03 0.47 -0.41 -2.08 0.00 0.00 0.00 176.54 174.49 3dk3 h VAL 427 N 1.23 1.30 -0.48 4.60 2.07 -1.20 -2.70 116.25 121.07 3dk3 h VAL 427 Ca 0.33 -1.58 -0.07 0.00 0.82 0.00 0.00 66.70 66.20 3dk3 h VAL 427 Cb -0.14 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3dk3 h VAL 427 CO -0.07 0.49 0.01 0.25 0.02 0.00 0.00 177.57 178.27 3dk3 h LEU 428 N 0.42 0.76 -0.90 2.57 5.85 -0.44 -1.49 115.31 122.08 3dk3 h LEU 428 Ca 0.03 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3dk3 h LEU 428 Cb 0.90 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 3dk3 h LEU 428 CO 0.08 0.82 0.54 -0.07 -0.34 0.00 0.00 178.44 179.47 3dk3 h LEU 429 N 0.74 1.08 -0.64 2.25 3.38 -0.68 -1.04 115.31 120.40 3dk3 h LEU 429 Ca 0.15 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3dk3 h LEU 429 Cb 0.44 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3dk3 h LEU 429 CO 0.02 0.83 0.14 -0.25 0.09 0.00 0.00 178.44 179.27 3dk3 h TRP 430 N 1.24 1.09 -0.76 1.13 7.01 -1.15 0.45 115.95 124.96 3dk3 h TRP 430 Ca 0.32 -0.14 0.03 0.00 2.11 0.00 0.00 58.89 61.22 3dk3 h TRP 430 Cb -0.05 -0.31 -0.05 0.00 -2.10 0.00 0.00 29.16 26.66 3dk3 h TRP 430 CO 0.00 0.91 0.48 0.93 -2.79 0.00 0.00 178.44 177.97 3dk3 h GLU 431 N 0.96 0.91 -0.17 2.65 5.08 -0.90 -2.07 114.58 121.02 3dk3 h GLU 431 Ca 0.20 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3dk3 h GLU 431 Cb 0.38 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3dk3 h GLU 431 CO 0.00 0.60 0.03 0.82 -1.00 0.00 0.00 179.01 179.46 3dk3 h ILE 432 N 0.94 1.22 -0.04 3.13 2.04 -0.83 0.42 117.51 124.39 3dk3 h ILE 432 Ca 0.30 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 3dk3 h ILE 432 Cb 0.01 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3dk3 h ILE 432 CO -0.11 0.22 -0.12 0.00 0.00 0.00 0.00 178.15 178.14 3dk3 h ALA 433 N 0.82 1.73 -0.52 1.87 0.00 -0.74 -2.36 119.26 120.07 3dk3 h ALA 433 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3dk3 h ALA 433 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3dk3 h ALA 433 CO 0.00 0.20 0.00 0.25 0.00 0.00 0.00 179.25 179.70 3dk3 n THR 434 N -4.37 0.68 -3.73 0.00 -2.24 -0.80 -4.84 114.28 98.99 3dk3 n THR 434 Ca -0.02 -0.82 -0.25 0.00 -2.27 0.00 0.00 64.05 60.69 3dk3 n THR 434 Cb 0.21 0.74 0.05 0.00 -2.10 0.00 0.00 70.33 69.23 3dk3 n THR 434 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3dk3 n TYR 435 N 1.49 -2.37 -0.99 4.78 4.01 -0.89 -3.74 117.16 119.45 3dk3 n TYR 435 Ca 0.21 0.93 0.00 0.00 -0.16 0.00 0.00 57.90 58.88 3dk3 n TYR 435 Cb 0.59 -4.47 0.00 0.00 -0.31 0.00 0.00 39.34 35.15 3dk3 n TYR 435 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dk3 n GLY 436 N -1.70 1.18 3.84 2.72 0.00 0.15 -3.36 105.19 108.01 3dk3 n GLY 436 Ca -0.07 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 3dk3 n GLY 436 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dk3 s MET 437 N -2.39 3.44 0.12 1.61 -1.94 -1.24 -4.89 119.30 114.01 3dk3 s MET 437 Ca 0.00 0.94 -0.30 0.00 -1.71 0.00 0.00 55.69 54.62 3dk3 s MET 437 Cb 0.00 -2.06 -0.06 0.00 2.01 0.00 0.00 34.83 34.72 3dk3 s MET 437 CO 0.00 -0.70 1.10 -1.12 -0.01 0.00 0.00 175.02 174.30 3dk3 s SER 438 N -3.54 7.25 0.70 3.03 0.01 -1.26 -4.72 113.70 115.17 3dk3 s SER 438 Ca 0.58 1.99 -0.15 0.00 1.31 0.00 0.00 55.95 59.69 3dk3 s SER 438 Cb -0.13 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.53 3dk3 s SER 438 CO 0.46 -0.28 1.15 -2.84 0.41 0.00 0.00 173.24 172.14 3dk3 s PRO 439 N 0.21 2.45 -1.25 12.44 0.02 -1.26 -3.63 135.00 143.98 3dk3 s PRO 439 Ca 0.52 1.56 -0.23 0.00 0.02 0.00 0.00 61.00 62.87 3dk3 s PRO 439 Cb -0.28 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.37 3dk3 s PRO 439 CO 0.32 -1.56 0.62 0.66 -0.33 0.00 0.00 177.00 176.71 3dk3 n TYR 440 N -2.61 -1.57 -1.87 6.54 4.02 -1.26 -4.82 117.16 115.58 3dk3 n TYR 440 Ca 0.12 0.32 -0.42 0.00 -0.01 0.00 0.00 57.90 57.91 3dk3 n TYR 440 Cb 0.51 -3.11 -0.02 0.00 -0.02 0.00 0.00 39.34 36.70 3dk3 n TYR 440 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3dk3 s PRO 441 N -6.87 4.18 0.00 -0.72 0.04 -1.24 -1.81 135.00 128.58 3dk3 s PRO 441 Ca 0.38 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.88 3dk3 s PRO 441 Cb -0.18 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.27 3dk3 s PRO 441 CO 0.93 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.78 3dk3 n GLY 442 N 3.04 1.33 3.56 0.56 0.00 -1.26 -5.02 105.19 107.40 3dk3 n GLY 442 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3dk3 n GLY 442 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dk3 s ILE 443 N -3.49 4.58 0.22 -0.61 1.01 -0.75 -5.09 121.20 117.07 3dk3 s ILE 443 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 3dk3 s ILE 443 Cb 0.00 -3.09 -0.09 0.00 0.01 0.00 0.00 42.46 39.29 3dk3 s ILE 443 CO 0.00 0.41 1.24 -0.62 0.00 0.00 0.00 174.94 175.97 3dk3 s ASP 444 N 0.88 6.99 0.44 3.58 -1.08 -1.26 -4.92 116.67 121.30 3dk3 s ASP 444 Ca 0.04 2.36 0.27 0.00 -0.52 0.00 0.00 52.55 54.69 3dk3 s ASP 444 Cb -0.14 -2.62 1.32 0.00 -1.46 0.00 0.00 42.92 40.03 3dk3 s ASP 444 CO 0.03 -0.43 1.70 -0.65 0.52 0.00 0.00 175.17 176.34 3dk3 h PRO 445 N 4.93 0.19 0.00 4.34 0.11 -1.98 0.72 132.00 140.31 3dk3 h PRO 445 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3dk3 h PRO 445 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3dk3 h PRO 445 CO 0.74 0.13 0.00 -1.13 -0.21 0.00 0.00 178.00 177.52 3dk3 n SER 446 N -4.57 0.48 0.00 -2.05 3.41 -1.26 -2.66 113.62 106.96 3dk3 n SER 446 Ca 0.31 0.61 0.10 0.00 -0.26 0.00 0.00 58.87 59.64 3dk3 n SER 446 Cb 1.20 -0.72 -0.07 0.00 -0.26 0.00 0.00 64.21 64.37 3dk3 n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dk3 n GLN 447 N -2.02 0.11 0.05 4.33 6.02 0.24 -4.67 117.38 121.44 3dk3 n GLN 447 Ca 0.03 -0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 56.87 3dk3 n GLN 447 Cb 0.22 -1.51 -0.08 0.00 1.02 0.00 0.00 30.24 29.89 3dk3 n GLN 447 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3dk3 h VAL 448 N 0.00 1.05 -0.37 5.09 2.07 -1.54 -2.97 116.25 119.58 3dk3 h VAL 448 Ca 0.00 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.23 3dk3 h VAL 448 Cb 0.59 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3dk3 h VAL 448 CO 0.00 0.09 0.13 0.22 0.02 0.00 0.00 177.57 178.02 3dk3 h TYR 449 N -0.21 0.23 -0.87 1.57 3.20 -1.83 -0.97 116.97 118.08 3dk3 h TYR 449 Ca -0.01 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.89 3dk3 h TYR 449 Cb 0.19 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 3dk3 h TYR 449 CO -0.03 0.09 0.57 1.49 -1.64 0.00 0.00 178.16 178.65 3dk3 h GLU 450 N 0.28 1.13 -0.22 1.82 4.57 -1.87 -0.05 114.58 120.24 3dk3 h GLU 450 Ca 0.17 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 3dk3 h GLU 450 Cb 0.15 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 3dk3 h GLU 450 CO -0.18 0.75 0.11 -0.07 -1.18 0.00 0.00 179.01 178.44 3dk3 h LEU 451 N 1.17 0.29 -0.76 1.64 3.38 -1.28 -2.12 115.31 117.63 3dk3 h LEU 451 Ca 0.32 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3dk3 h LEU 451 Cb -0.12 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3dk3 h LEU 451 CO -0.07 0.33 0.50 -0.07 0.09 0.00 0.00 178.44 179.21 3dk3 h LEU 452 N 0.23 0.86 -1.65 1.67 3.38 -0.83 -0.37 115.31 118.60 3dk3 h LEU 452 Ca 0.08 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3dk3 h LEU 452 Cb 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3dk3 h LEU 452 CO -0.01 0.62 -0.03 -0.08 0.09 0.00 0.00 178.44 179.03 3dk3 h GLU 453 N 1.02 0.18 -0.75 1.13 4.22 -0.88 -1.30 114.58 118.20 3dk3 h GLU 453 Ca 0.28 -0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.64 3dk3 h GLU 453 Cb -0.11 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3dk3 h GLU 453 CO -0.06 0.23 0.07 1.63 -2.18 0.00 0.00 179.01 178.69 3dk3 n LYS 454 N -4.40 3.49 -1.12 1.92 4.76 -0.81 -4.92 118.16 117.09 3dk3 n LYS 454 Ca -0.01 -2.21 -0.04 0.00 -2.87 0.00 0.00 58.31 53.18 3dk3 n LYS 454 Cb 0.17 -2.01 -0.02 0.00 -1.84 0.00 0.00 35.03 31.33 3dk3 n LYS 454 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3dk3 n ASP 455 N 0.28 -3.98 -4.73 4.39 10.43 -0.49 -5.01 116.55 117.43 3dk3 n ASP 455 Ca 0.23 0.10 -0.41 0.00 2.57 0.00 0.00 54.79 57.27 3dk3 n ASP 455 Cb 0.98 -1.83 -0.03 0.00 1.84 0.00 0.00 41.12 42.08 3dk3 n ASP 455 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 3dk3 s TYR 456 N -1.98 3.39 0.07 1.24 5.04 -0.20 -4.99 117.35 119.93 3dk3 s TYR 456 Ca 0.00 1.34 0.02 0.00 -2.44 0.00 0.00 57.07 55.99 3dk3 s TYR 456 Cb 0.00 -3.47 -0.03 0.00 0.35 0.00 0.00 41.96 38.80 3dk3 s TYR 456 CO 0.00 -1.41 -0.07 1.03 -1.34 0.00 0.00 175.55 173.76 3dk3 s ARG 457 N 0.10 0.69 0.43 4.97 1.81 -1.26 -4.14 118.95 121.55 3dk3 s ARG 457 Ca 0.55 -1.07 -0.26 0.00 -1.72 0.00 0.00 55.73 53.24 3dk3 s ARG 457 Cb -0.33 -0.25 -0.09 0.00 -0.45 0.00 0.00 34.95 33.83 3dk3 s ARG 457 CO 0.35 0.01 1.37 -1.33 -0.68 0.00 0.00 175.30 175.03 3dk3 n MET 458 N 0.66 2.15 -1.40 3.54 2.81 -1.26 -4.99 117.12 118.63 3dk3 n MET 458 Ca -0.17 0.77 -0.31 0.00 -1.81 0.00 0.00 57.70 56.17 3dk3 n MET 458 Cb 0.58 -2.53 0.08 0.00 -0.71 0.00 0.00 33.22 30.63 3dk3 n MET 458 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3dk3 s GLU 459 N -2.32 2.47 0.08 0.03 2.02 -1.26 -4.96 118.70 114.75 3dk3 s GLU 459 Ca 0.60 1.17 -0.31 0.00 0.02 0.00 0.00 54.97 56.46 3dk3 s GLU 459 Cb -0.48 -1.92 -0.09 0.00 0.10 0.00 0.00 34.13 31.74 3dk3 s GLU 459 CO 0.58 -1.48 1.86 0.50 0.02 0.00 0.00 175.26 176.74 3dk3 s ARG 460 N -4.79 4.14 0.67 1.61 3.52 -1.26 -4.96 118.95 117.89 3dk3 s ARG 460 Ca 0.62 2.57 -0.17 0.00 -0.13 0.00 0.00 55.73 58.61 3dk3 s ARG 460 Cb -0.17 -3.83 0.01 0.00 -1.56 0.00 0.00 34.95 29.39 3dk3 s ARG 460 CO 0.53 -0.88 1.23 -2.14 -0.81 0.00 0.00 175.30 173.23 3dk3 s PRO 461 N 3.47 2.46 0.12 5.12 0.02 -1.26 -4.92 135.00 140.01 3dk3 s PRO 461 Ca 0.83 1.86 -0.31 0.00 0.02 0.00 0.00 61.00 63.40 3dk3 s PRO 461 Cb -0.44 -1.86 -0.10 0.00 0.02 0.00 0.00 34.50 32.12 3dk3 s PRO 461 CO 0.38 -1.61 1.86 -2.00 -0.33 0.00 0.00 177.00 175.30 3dk3 s GLU 462 N -3.62 4.13 0.00 5.54 2.12 -1.26 -1.93 118.70 123.67 3dk3 s GLU 462 Ca 0.77 2.62 0.00 0.00 0.36 0.00 0.00 54.97 58.73 3dk3 s GLU 462 Cb -0.32 -3.65 0.00 0.00 0.26 0.00 0.00 34.13 30.42 3dk3 s GLU 462 CO 0.41 -0.86 0.00 0.41 -0.54 0.00 0.00 175.26 174.67 3dk3 n GLY 463 N 4.29 1.37 3.70 -1.50 0.00 -1.26 -4.94 105.19 106.85 3dk3 n GLY 463 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3dk3 n GLY 463 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dk3 s PRO 465 N 1.93 3.88 0.33 0.00 0.02 -1.26 -4.87 135.00 135.03 3dk3 s PRO 465 Ca 0.60 2.41 0.03 0.00 0.02 0.00 0.00 61.00 64.06 3dk3 s PRO 465 Cb -0.29 -2.78 0.62 0.00 0.02 0.00 0.00 34.50 32.08 3dk3 s PRO 465 CO 0.26 -0.66 1.93 1.49 -0.33 0.00 0.00 177.00 179.69 3dk3 h GLU 466 N 2.61 0.88 -0.20 5.54 4.57 -1.99 -1.79 114.58 124.20 3dk3 h GLU 466 Ca -0.51 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 57.53 3dk3 h GLU 466 Cb 1.25 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 3dk3 h GLU 466 CO 0.62 0.58 -0.28 0.87 -1.18 0.00 0.00 179.01 179.62 3dk3 h LYS 467 N 0.91 0.39 -0.31 1.92 1.79 -1.99 -0.50 116.57 118.78 3dk3 h LYS 467 Ca 0.35 -0.15 -0.12 0.00 -2.18 0.00 0.00 60.65 58.56 3dk3 h LYS 467 Cb 0.22 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 3dk3 h LYS 467 CO -0.13 0.65 -0.26 0.28 -1.08 0.00 0.00 179.45 178.91 3dk3 h VAL 468 N 0.35 1.30 -0.01 0.50 2.07 -1.73 -2.76 116.25 115.96 3dk3 h VAL 468 Ca 0.05 -1.42 -0.07 0.00 0.82 0.00 0.00 66.70 66.08 3dk3 h VAL 468 Cb 0.68 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3dk3 h VAL 468 CO 0.05 0.46 -0.34 0.22 0.02 0.00 0.00 177.57 177.98 3dk3 h TYR 469 N 0.49 0.03 -0.61 1.57 3.20 -1.09 -1.26 116.97 119.30 3dk3 h TYR 469 Ca 0.06 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 3dk3 h TYR 469 Cb 0.82 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 3dk3 h TYR 469 CO 0.07 0.37 0.17 0.93 -1.64 0.00 0.00 178.16 178.06 3dk3 h GLU 470 N 0.02 0.96 -0.53 1.82 5.08 -1.02 -1.02 114.58 119.90 3dk3 h GLU 470 Ca 0.00 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 3dk3 h GLU 470 Cb 0.62 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3dk3 h GLU 470 CO 0.05 0.86 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.79 3dk3 h LEU 471 N 0.88 0.93 -0.30 1.33 3.38 -1.17 -1.19 115.31 119.17 3dk3 h LEU 471 Ca 0.19 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3dk3 h LEU 471 Cb 0.32 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3dk3 h LEU 471 CO -0.00 1.02 0.12 -0.03 0.09 0.00 0.00 178.44 179.64 3dk3 h MET 472 N 0.86 0.25 -0.08 1.13 4.05 -1.04 -0.52 114.93 119.59 3dk3 h MET 472 Ca 0.15 -0.02 -0.12 0.00 -0.28 0.00 0.00 59.70 59.43 3dk3 h MET 472 Cb 0.59 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 3dk3 h MET 472 CO 0.04 0.17 -0.48 0.00 0.23 0.00 0.00 176.91 176.86 3dk3 h ARG 473 N 0.26 0.19 -0.55 0.39 2.47 -1.05 -2.58 114.38 113.52 3dk3 h ARG 473 Ca 0.13 -0.10 -0.11 0.00 -1.26 0.00 0.00 59.98 58.64 3dk3 h ARG 473 Cb 0.08 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 3dk3 h ARG 473 CO -0.12 0.64 -0.08 0.00 0.56 0.00 0.00 179.97 180.98 3dk3 h ALA 474 N 1.35 0.75 0.00 0.04 0.00 -0.93 -2.54 119.26 117.92 3dk3 h ALA 474 Ca 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3dk3 h ALA 474 Cb 0.91 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3dk3 h ALA 474 CO 0.07 0.64 -0.04 0.00 0.00 0.00 0.00 179.25 179.92 3dk3 n TRP 476 N -4.46 2.35 -2.11 0.00 8.01 -0.96 -3.75 117.44 116.52 3dk3 n TRP 476 Ca -0.03 -1.27 -0.41 0.00 -1.31 0.00 0.00 57.50 54.48 3dk3 n TRP 476 Cb 0.12 -0.71 -0.03 0.00 -2.01 0.00 0.00 31.31 28.69 3dk3 n TRP 476 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 3dk3 s GLN 477 N -2.74 4.33 0.11 -0.99 -1.52 -1.13 -4.95 119.66 112.77 3dk3 s GLN 477 Ca 0.49 2.19 -0.25 0.00 -1.95 0.00 0.00 55.36 55.83 3dk3 s GLN 477 Cb 0.40 -3.13 -0.10 0.00 -0.22 0.00 0.00 33.01 29.96 3dk3 s GLN 477 CO 0.11 -0.31 1.67 2.35 -0.25 0.00 0.00 175.29 178.87 3dk3 h TRP 478 N 4.82 -0.45 -3.09 0.91 2.91 -1.93 -3.39 115.95 115.73 3dk3 h TRP 478 Ca -0.46 0.01 -0.57 0.00 1.13 0.00 0.00 58.89 59.00 3dk3 h TRP 478 Cb 1.22 0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 30.00 3dk3 h TRP 478 CO 0.60 -0.26 0.92 1.21 -1.03 0.00 0.00 178.44 179.88 3dk3 s ASN 479 N -4.91 6.83 0.53 2.65 2.47 -1.26 -4.85 114.94 116.40 3dk3 s ASN 479 Ca -0.15 1.35 0.23 0.00 0.42 0.00 0.00 52.86 54.71 3dk3 s ASN 479 Cb 0.07 -2.54 1.38 0.00 -1.45 0.00 0.00 41.25 38.71 3dk3 s ASN 479 CO 0.66 -0.91 2.04 1.55 -3.72 0.00 0.00 177.10 176.72 3dk3 h PRO 480 N 8.61 0.00 0.00 0.43 0.13 -1.95 -1.03 132.00 138.19 3dk3 h PRO 480 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3dk3 h PRO 480 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3dk3 h PRO 480 CO 1.01 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.44 3dk3 h SER 481 N 0.00 0.00 0.73 1.44 4.64 -1.93 -2.61 113.55 115.81 3dk3 h SER 481 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3dk3 h SER 481 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3dk3 h SER 481 CO -0.00 0.00 -0.25 0.47 -0.87 0.00 0.00 176.83 176.18 3dk3 n ASP 482 N -2.80 0.26 -4.79 4.97 8.00 -0.39 -4.88 116.55 116.93 3dk3 n ASP 482 Ca 0.01 0.09 -0.37 0.00 0.71 0.00 0.00 54.79 55.24 3dk3 n ASP 482 Cb 0.30 -0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 3dk3 n ASP 482 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3dk3 s ARG 483 N -2.98 4.53 0.75 -1.24 0.52 -0.99 -4.91 118.95 114.63 3dk3 s ARG 483 Ca 0.13 1.27 -0.12 0.00 -0.52 0.00 0.00 55.73 56.49 3dk3 s ARG 483 Cb 0.18 -2.76 0.05 0.00 0.52 0.00 0.00 34.95 32.94 3dk3 s ARG 483 CO 0.61 0.26 1.12 -1.25 0.02 0.00 0.00 175.30 176.06 3dk3 s PRO 484 N -2.14 2.27 0.72 3.54 0.04 -1.26 -5.04 135.00 133.13 3dk3 s PRO 484 Ca 0.51 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 62.79 3dk3 s PRO 484 Cb -0.18 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.50 3dk3 s PRO 484 CO 0.23 -1.66 1.07 -1.54 0.04 0.00 0.00 177.00 175.14 3dk3 s SER 485 N -2.89 5.24 0.43 6.66 1.04 -1.26 -4.91 113.70 118.01 3dk3 s SER 485 Ca 0.65 1.40 0.20 0.00 0.48 0.00 0.00 55.95 58.68 3dk3 s SER 485 Cb -0.20 -2.24 1.00 0.00 0.10 0.00 0.00 66.02 64.67 3dk3 s SER 485 CO 0.50 -1.51 1.90 -0.26 0.98 0.00 0.00 173.24 174.86 3dk3 h PHE 486 N -0.76 0.00 -0.68 5.02 0.04 -1.92 -1.38 116.94 117.25 3dk3 h PHE 486 Ca -0.45 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.32 3dk3 h PHE 486 Cb 1.23 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.35 3dk3 h PHE 486 CO 0.55 0.26 0.42 0.00 -0.60 0.00 0.00 178.31 178.95 3dk3 h ALA 487 N 1.74 0.87 -0.33 2.45 0.00 -1.90 0.70 119.26 122.78 3dk3 h ALA 487 Ca -0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 3dk3 h ALA 487 Cb 0.59 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3dk3 h ALA 487 CO 0.03 0.32 -0.45 0.93 0.00 0.00 0.00 179.25 180.09 3dk3 h GLU 488 N 0.92 0.88 -0.21 0.00 5.08 -1.82 -2.60 114.58 116.84 3dk3 h GLU 488 Ca 0.25 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 3dk3 h GLU 488 Cb -0.05 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3dk3 h GLU 488 CO -0.05 1.15 0.06 0.82 -1.00 0.00 0.00 179.01 179.99 3dk3 h ILE 489 N 0.68 1.20 -0.69 3.13 2.04 -1.14 -2.33 117.51 120.40 3dk3 h ILE 489 Ca 0.04 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.27 3dk3 h ILE 489 Cb 1.05 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 3dk3 h ILE 489 CO 0.10 0.20 0.44 -0.74 0.00 0.00 0.00 178.15 178.16 3dk3 h HIS 490 N 0.16 0.84 -0.67 1.37 2.76 -0.91 -1.42 115.15 117.28 3dk3 h HIS 490 Ca 0.07 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 3dk3 h HIS 490 Cb 0.26 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 28.91 3dk3 h HIS 490 CO 0.01 0.50 0.39 0.37 -1.30 0.00 0.00 177.93 177.90 3dk3 h GLN 491 N 0.89 0.92 -0.20 5.26 5.75 -1.42 0.40 115.11 126.71 3dk3 h GLN 491 Ca 0.27 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.66 3dk3 h GLN 491 Cb -0.04 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.31 3dk3 h GLN 491 CO -0.08 0.67 0.07 0.00 -2.65 0.00 0.00 178.83 176.83 3dk3 h ALA 492 N 1.20 0.26 -0.19 3.38 0.00 -1.04 -2.11 119.26 120.76 3dk3 h ALA 492 Ca 0.24 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 3dk3 h ALA 492 Cb -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3dk3 h ALA 492 CO -0.04 -0.12 -0.50 0.74 0.00 0.00 0.00 179.25 179.33 3dk3 h PHE 493 N 0.15 0.62 -0.38 0.00 0.04 -1.18 -2.33 116.94 113.86 3dk3 h PHE 493 Ca 0.06 -0.21 0.02 0.00 2.80 0.00 0.00 57.97 60.65 3dk3 h PHE 493 Cb 0.22 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 3dk3 h PHE 493 CO -0.00 0.90 0.22 1.49 -0.60 0.00 0.00 178.31 180.32 3dk3 h GLU 494 N 0.40 0.43 -0.01 1.51 4.81 -0.87 -0.09 114.58 120.75 3dk3 h GLU 494 Ca 0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3dk3 h GLU 494 Cb 1.01 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 3dk3 h GLU 494 CO 0.09 0.28 -0.01 1.15 -0.73 0.00 0.00 179.01 179.79 3dk3 h THR 495 N 0.44 0.96 -0.58 0.32 2.02 -1.28 -1.24 112.91 113.55 3dk3 h THR 495 Ca 0.15 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 3dk3 h THR 495 Cb 0.01 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 3dk3 h THR 495 CO -0.07 0.00 0.36 0.24 0.37 0.00 0.00 175.52 176.42 3dk3 h MET 496 N -0.02 0.79 -0.24 6.66 2.86 -1.26 -1.67 114.93 122.05 3dk3 h MET 496 Ca 0.01 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3dk3 h MET 496 Cb 0.04 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 3dk3 h MET 496 CO -0.03 0.56 0.15 0.35 1.06 0.00 0.00 176.91 179.00 3dk3 h PHE 497 N 0.79 0.32 -0.45 -0.22 3.57 -0.91 -1.95 116.94 118.09 3dk3 h PHE 497 Ca 0.21 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 3dk3 h PHE 497 Cb -0.04 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 3dk3 h PHE 497 CO -0.02 0.23 0.10 1.96 -2.23 0.00 0.00 178.31 178.35 3dk3 h GLN 498 N 0.31 0.68 -0.00 1.11 4.20 -1.04 -2.67 115.11 117.70 3dk3 h GLN 498 Ca 0.09 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3dk3 h GLN 498 Cb 0.00 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.68 3dk3 h GLN 498 CO -0.02 0.63 -0.19 0.39 -0.67 0.00 0.00 178.83 178.97 3dk3 n GLU 499 N -4.30 0.02 -2.68 1.46 1.02 -0.65 -4.94 120.64 110.57 3dk3 n GLU 499 Ca 0.03 -0.01 -0.37 0.00 -0.02 0.00 0.00 57.16 56.80 3dk3 n GLU 499 Cb 0.21 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.08 3dk3 n GLU 499 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3dk3 s SER 500 N -2.98 7.11 0.60 1.62 0.15 -0.75 -5.06 113.70 114.39 3dk3 s SER 500 Ca 0.13 1.92 -0.16 0.00 0.70 0.00 0.00 55.95 58.55 3dk3 s SER 500 Cb 0.18 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.88 3dk3 s SER 500 CO 0.59 -0.24 1.06 -0.55 1.20 0.00 0.00 173.24 175.30 3dk3 s SER 501 N -1.59 5.73 -0.11 5.45 0.15 -1.26 -4.98 113.70 117.09 3dk3 s SER 501 Ca 0.53 1.82 0.15 0.00 0.70 0.00 0.00 55.95 59.15 3dk3 s SER 501 Cb -0.20 -2.53 0.62 0.00 -1.71 0.00 0.00 66.02 62.19 3dk3 s SER 501 CO 0.25 -1.20 1.49 2.30 1.20 0.00 0.00 173.24 177.29 3dk3 n ILE 502 N -2.08 1.63 -1.68 6.45 -5.35 -1.26 -4.48 119.36 112.59 3dk3 n ILE 502 Ca 0.09 -1.00 -0.43 0.00 -0.27 0.00 0.00 62.75 61.13 3dk3 n ILE 502 Cb 0.53 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.42 3dk3 n ILE 502 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3dk3 n SER 503 N 0.86 2.55 -0.69 7.28 2.88 -1.26 -4.91 113.62 120.33 3dk3 n SER 503 Ca 0.22 1.19 0.08 0.00 -1.33 0.00 0.00 58.87 59.03 3dk3 n SER 503 Cb 0.80 -1.45 0.23 0.00 -0.75 0.00 0.00 64.21 63.05 3dk3 n SER 503 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3dk3 n ASP 504 N 1.06 2.02 -0.46 -3.46 5.68 -1.26 -4.53 116.55 115.59 3dk3 n ASP 504 Ca 0.06 -1.91 0.14 0.00 -0.50 0.00 0.00 54.79 52.58 3dk3 n ASP 504 Cb 0.35 -0.22 0.54 0.00 -1.14 0.00 0.00 41.12 40.65 3dk3 n ASP 504 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25