#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 0.04 0.11 2.10 -2.03 -3.02 116.57 113.78 3dk3 h LYS 234 Ca 0.00 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.40 3dk3 h LYS 234 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 3dk3 h LYS 234 CO 0.00 0.00 -1.23 -1.49 -2.00 0.00 0.00 179.45 174.73 3dk3 h TRP 235 N 0.00 0.17 -2.78 0.07 4.06 -1.95 -3.47 115.95 112.06 3dk3 h TRP 235 Ca 0.00 -0.12 -0.53 0.00 2.06 0.00 0.00 58.89 60.30 3dk3 h TRP 235 Cb 0.19 -0.01 0.03 0.00 -1.00 0.00 0.00 29.16 28.37 3dk3 h TRP 235 CO 0.00 1.12 0.92 -2.00 -3.56 0.00 0.00 178.44 174.92 3dk3 s GLU 236 N -2.67 4.21 0.19 0.49 2.56 -1.14 -1.48 118.70 120.86 3dk3 s GLU 236 Ca -0.02 2.33 0.08 0.00 0.00 0.00 0.00 54.97 57.36 3dk3 s GLU 236 Cb 0.09 -3.34 -0.04 0.00 2.00 0.00 0.00 34.13 32.83 3dk3 s GLU 236 CO 0.84 -0.65 -0.15 -1.64 -0.56 0.00 0.00 175.26 173.10 3dk3 s MET 237 N 1.74 1.28 0.18 4.30 -1.94 0.21 -4.89 119.30 120.18 3dk3 s MET 237 Ca 0.71 -1.52 -0.30 0.00 -1.71 0.00 0.00 55.69 52.87 3dk3 s MET 237 Cb -0.42 -1.12 -0.08 0.00 2.01 0.00 0.00 34.83 35.23 3dk3 s MET 237 CO 0.32 0.19 1.12 -1.21 -0.01 0.00 0.00 175.02 175.43 3dk3 s GLU 238 N -3.42 4.57 0.33 2.03 0.41 -1.26 -4.56 118.70 116.79 3dk3 s GLU 238 Ca 0.20 1.75 0.01 0.00 -0.41 0.00 0.00 54.97 56.52 3dk3 s GLU 238 Cb -0.02 -3.27 0.55 0.00 -1.78 0.00 0.00 34.13 29.62 3dk3 s GLU 238 CO 0.06 0.05 1.94 -0.09 -0.49 0.00 0.00 175.26 176.73 3dk3 h ARG 239 N 5.09 0.80 0.00 1.61 2.43 -1.95 -2.64 114.38 119.71 3dk3 h ARG 239 Ca -0.44 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3dk3 h ARG 239 Cb 1.21 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3dk3 h ARG 239 CO 0.73 0.62 0.00 0.25 -1.51 0.00 0.00 179.97 180.05 3dk3 n THR 240 N -4.37 0.56 0.27 0.20 -2.24 -1.26 -2.55 114.28 104.90 3dk3 n THR 240 Ca 0.05 0.14 0.15 0.00 -2.27 0.00 0.00 64.05 62.13 3dk3 n THR 240 Cb 0.12 -0.82 0.76 0.00 -2.10 0.00 0.00 70.33 68.29 3dk3 n THR 240 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3dk3 h ASP 241 N 0.00 0.00 -3.36 3.42 5.19 -1.86 -3.43 116.42 116.38 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 0.25 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 39.53 3dk3 h ASP 241 CO 0.00 0.08 -0.70 -0.63 -3.12 0.00 0.00 179.24 174.87 3dk3 s ILE 242 N -3.94 3.62 -0.27 0.35 -1.09 -1.06 -2.65 121.20 116.16 3dk3 s ILE 242 Ca -0.01 -0.46 -0.12 0.00 -2.23 0.00 0.00 60.65 57.82 3dk3 s ILE 242 Cb 0.11 -2.56 -0.05 0.00 -1.58 0.00 0.00 42.46 38.39 3dk3 s ILE 242 CO 0.55 0.52 0.26 -0.89 -1.23 0.00 0.00 174.94 174.14 3dk3 s THR 243 N 0.20 5.26 0.17 2.92 2.01 0.01 -4.93 115.64 121.27 3dk3 s THR 243 Ca -0.04 0.32 -0.29 0.00 0.31 0.00 0.00 61.69 61.99 3dk3 s THR 243 Cb -0.14 -3.59 -0.07 0.00 0.01 0.00 0.00 72.50 68.70 3dk3 s THR 243 CO 0.04 0.22 0.92 -0.04 -0.69 0.00 0.00 174.62 175.07 3dk3 s MET 244 N 1.84 4.74 0.00 4.92 1.00 -1.26 -0.72 119.30 129.82 3dk3 s MET 244 Ca 0.10 1.41 0.00 0.00 0.00 0.00 0.00 55.69 57.20 3dk3 s MET 244 Cb -0.16 -3.32 0.00 0.00 0.00 0.00 0.00 34.83 31.35 3dk3 s MET 244 CO 0.10 0.38 0.00 1.63 0.00 0.00 0.00 175.02 177.13 3dk3 n LYS 245 N 2.13 3.23 -2.67 2.03 5.02 0.26 -4.96 118.16 123.20 3dk3 n LYS 245 Ca -0.01 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.00 3dk3 n LYS 245 Cb 0.48 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.48 3dk3 n LYS 245 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3dk3 s HIS 246 N 3.88 3.54 0.26 2.13 3.76 -1.26 -4.71 115.29 122.89 3dk3 s HIS 246 Ca 0.00 0.88 -0.31 0.00 -0.15 0.00 0.00 55.06 55.48 3dk3 s HIS 246 Cb 0.00 -2.35 -0.13 0.00 1.11 0.00 0.00 32.58 31.22 3dk3 s HIS 246 CO 0.00 -0.25 1.52 1.17 -0.85 0.00 0.00 174.74 176.33 3dk3 n LYS 247 N -2.03 2.38 -3.03 1.40 4.81 -1.26 -1.16 118.16 119.27 3dk3 n LYS 247 Ca 0.01 0.85 -0.23 0.00 -0.87 0.00 0.00 58.31 58.07 3dk3 n LYS 247 Cb 0.55 -2.58 0.01 0.00 0.02 0.00 0.00 35.03 33.03 3dk3 n LYS 247 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 3dk3 s LEU 248 N -0.06 3.70 -1.92 3.14 0.05 -0.25 -4.49 118.68 118.84 3dk3 s LEU 248 Ca 0.67 0.31 0.00 0.00 0.05 0.00 0.00 54.13 55.16 3dk3 s LEU 248 Cb -0.57 -3.19 0.00 0.00 -2.05 0.00 0.00 46.19 40.38 3dk3 s LEU 248 CO 0.48 -0.64 0.00 0.61 -0.55 0.00 0.00 176.35 176.24 3dk3 n GLY 249 N -2.04 0.82 2.60 -3.48 0.00 -1.26 -1.93 105.19 99.90 3dk3 n GLY 249 Ca 0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.76 0.74 1.32 -0.02 0.00 -1.26 -2.70 105.19 102.51 3dk3 n GLY 250 Ca -0.22 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.55 0.75 0.28 -0.02 0.00 -0.81 -4.96 105.19 99.89 3dk3 n GLY 251 Ca -0.06 0.00 0.17 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 3.16 0.00 -0.54 1.61 3.07 -1.70 -2.23 115.11 118.48 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 -3.20 0.72 -2.65 0.06 4.02 -1.26 -5.07 117.16 109.78 3dk3 n TYR 253 Ca -0.01 -0.36 0.00 0.00 -0.01 0.00 0.00 57.90 57.53 3dk3 n TYR 253 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 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 1.55 0.55 2.45 2.72 0.00 -0.84 -4.48 105.19 107.15 3dk3 n GLY 254 Ca 0.21 -1.12 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 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 8.58 3.43 -4.40 1.61 -0.58 -1.26 -4.76 120.64 123.26 3dk3 n GLU 255 Ca 0.00 -2.35 -0.33 0.00 -0.42 0.00 0.00 57.16 54.06 3dk3 n GLU 255 Cb 0.00 -2.96 -0.16 0.00 -0.57 0.00 0.00 31.44 27.75 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 2.47 2.46 0.10 2.62 1.01 -1.26 -0.89 120.40 126.91 3dk3 s VAL 256 Ca 0.62 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.88 3dk3 s VAL 256 Cb 0.17 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 3dk3 s VAL 256 CO -0.07 0.52 -0.27 -0.31 0.00 0.00 0.00 175.10 174.97 3dk3 s TYR 257 N 0.99 2.30 0.30 5.22 1.51 0.64 -1.09 117.35 127.21 3dk3 s TYR 257 Ca -0.02 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.36 3dk3 s TYR 257 Cb -0.15 -1.29 -0.10 0.00 -0.11 0.00 0.00 41.96 40.32 3dk3 s TYR 257 CO -0.04 0.26 1.17 -2.00 -1.11 0.00 0.00 175.55 173.83 3dk3 s GLU 258 N -1.77 4.52 0.17 -0.62 2.12 -0.31 -0.43 118.70 122.39 3dk3 s GLU 258 Ca 0.13 1.94 -0.09 0.00 0.36 0.00 0.00 54.97 57.31 3dk3 s GLU 258 Cb -0.10 -3.13 -0.01 0.00 0.26 0.00 0.00 34.13 31.16 3dk3 s GLU 258 CO 0.05 0.06 0.30 0.20 -0.54 0.00 0.00 175.26 175.32 3dk3 s GLY 259 N -0.77 0.50 -0.17 -1.50 0.00 0.47 -0.57 107.32 105.28 3dk3 s GLY 259 Ca 0.46 -0.90 -0.00 0.00 0.00 0.00 0.00 44.72 44.28 3dk3 s GLY 259 CO 0.45 -0.83 -0.15 0.14 0.00 0.00 0.00 173.10 172.70 3dk3 s VAL 260 N -3.98 2.57 -0.73 1.40 1.01 0.10 -0.06 120.40 120.71 3dk3 s VAL 260 Ca 0.18 -0.79 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 3dk3 s VAL 260 Cb 0.03 -2.10 0.08 0.00 0.00 0.00 0.00 36.38 34.39 3dk3 s VAL 260 CO 0.01 0.51 1.04 0.86 0.00 0.00 0.00 175.10 177.52 3dk3 s TRP 261 N 1.07 2.72 0.23 5.22 -0.11 0.11 -0.81 118.94 127.37 3dk3 s TRP 261 Ca -0.00 -0.69 -0.06 0.00 1.22 0.00 0.00 56.10 56.56 3dk3 s TRP 261 Cb -0.14 -4.34 0.34 0.00 -1.50 0.00 0.00 33.47 27.82 3dk3 s TRP 261 CO -0.05 -1.67 1.80 0.87 -4.62 0.00 0.00 176.95 173.28 3dk3 h LYS 262 N 9.48 0.67 -0.80 5.86 1.57 -1.79 -0.78 116.57 130.78 3dk3 h LYS 262 Ca -0.18 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.68 3dk3 h LYS 262 Cb 1.06 -0.15 -0.08 0.00 0.08 0.00 0.00 32.23 33.13 3dk3 h LYS 262 CO 1.19 0.44 0.42 -0.22 -0.57 0.00 0.00 179.45 180.71 3dk3 h LYS 263 N 0.69 0.64 -0.11 3.15 3.64 -1.92 -2.47 116.57 120.19 3dk3 h LYS 263 Ca 0.36 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 3dk3 h LYS 263 Cb 0.32 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3dk3 h LYS 263 CO -0.24 0.43 0.00 0.66 -2.27 0.00 0.00 179.45 178.02 3dk3 n TYR 264 N -4.83 0.12 -3.95 1.91 4.02 -0.87 -4.97 117.16 108.60 3dk3 n TYR 264 Ca 0.14 -0.06 -0.29 0.00 -0.01 0.00 0.00 57.90 57.68 3dk3 n TYR 264 Cb 0.34 -0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.67 3dk3 n TYR 264 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3dk3 n SER 265 N 1.34 -3.12 -4.28 7.72 7.64 -0.35 -4.95 113.62 117.62 3dk3 n SER 265 Ca 0.15 -0.87 -0.33 0.00 1.01 0.00 0.00 58.87 58.83 3dk3 n SER 265 Cb 0.58 -3.55 -0.16 0.00 -1.01 0.00 0.00 64.21 60.08 3dk3 n SER 265 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3dk3 s LEU 266 N -7.12 2.39 0.06 -3.43 2.96 -0.90 -4.95 118.68 107.69 3dk3 s LEU 266 Ca 0.45 -0.46 -0.31 0.00 -0.22 0.00 0.00 54.13 53.60 3dk3 s LEU 266 Cb -0.23 -1.51 -0.06 0.00 0.50 0.00 0.00 46.19 44.88 3dk3 s LEU 266 CO 0.86 0.14 1.31 -0.89 -1.32 0.00 0.00 176.35 176.45 3dk3 s THR 267 N 0.45 3.73 0.23 3.68 2.01 -1.26 0.09 115.64 124.57 3dk3 s THR 267 Ca -0.13 1.21 0.04 0.00 0.31 0.00 0.00 61.69 63.12 3dk3 s THR 267 Cb -0.17 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 3dk3 s THR 267 CO 0.06 0.06 -0.01 0.68 -0.69 0.00 0.00 174.62 174.72 3dk3 s VAL 268 N 1.47 1.05 -0.10 3.82 -7.23 0.92 -3.90 120.40 116.44 3dk3 s VAL 268 Ca 0.62 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.72 3dk3 s VAL 268 Cb -0.32 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 3dk3 s VAL 268 CO 0.28 -0.34 0.02 0.00 -0.31 0.00 0.00 175.10 174.76 3dk3 s ALA 269 N -3.41 3.36 -0.14 1.32 0.00 -0.38 -0.40 121.76 122.12 3dk3 s ALA 269 Ca 0.28 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 3dk3 s ALA 269 Cb 0.05 -1.59 0.04 0.00 0.00 0.00 0.00 23.12 21.62 3dk3 s ALA 269 CO 0.08 0.54 -0.01 0.08 0.00 0.00 0.00 175.76 176.44 3dk3 s VAL 270 N -0.72 0.73 -0.11 0.00 1.01 0.43 -0.71 120.40 121.02 3dk3 s VAL 270 Ca 0.12 -0.36 -0.21 0.00 0.00 0.00 0.00 61.98 61.53 3dk3 s VAL 270 Cb -0.12 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3dk3 s VAL 270 CO 0.02 0.09 0.60 -0.75 0.00 0.00 0.00 175.10 175.07 3dk3 s LYS 271 N 1.80 4.35 0.44 2.72 2.20 0.05 -0.26 119.74 131.04 3dk3 s LYS 271 Ca 0.02 0.66 0.03 0.00 -0.36 0.00 0.00 55.97 56.32 3dk3 s LYS 271 Cb -0.15 -3.47 -0.02 0.00 -1.51 0.00 0.00 37.83 32.68 3dk3 s LYS 271 CO -0.07 0.04 0.09 -0.08 -0.36 0.00 0.00 175.35 174.97 3dk3 s THR 272 N 0.96 0.80 -0.22 3.43 -1.32 -0.07 -0.60 115.64 118.62 3dk3 s THR 272 Ca 0.31 -2.00 -0.03 0.00 -1.21 0.00 0.00 61.69 58.76 3dk3 s THR 272 Cb -0.16 -2.31 0.07 0.00 -1.51 0.00 0.00 72.50 68.59 3dk3 s THR 272 CO 0.14 0.00 0.07 -0.22 -2.21 0.00 0.00 174.62 172.40 3dk3 s LEU 273 N -3.69 1.06 -0.06 9.08 2.96 -1.23 -4.67 118.68 122.13 3dk3 s LEU 273 Ca 0.19 -0.97 0.25 0.00 -0.22 0.00 0.00 54.13 53.37 3dk3 s LEU 273 Cb 0.02 -0.52 0.44 0.00 0.50 0.00 0.00 46.19 46.63 3dk3 s LEU 273 CO 0.11 -0.35 1.16 0.29 -1.32 0.00 0.00 176.35 176.23 3dk3 n LYS 274 N 5.10 0.39 -2.89 1.98 4.01 -1.26 -4.57 118.16 120.92 3dk3 n LYS 274 Ca -0.07 -2.30 -0.39 0.00 -0.51 0.00 0.00 58.31 55.04 3dk3 n LYS 274 Cb 0.46 -0.34 -0.06 0.00 -0.51 0.00 0.00 35.03 34.58 3dk3 n LYS 274 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 3dk3 s GLU 279 N -0.83 4.62 0.09 1.97 -6.30 -1.26 -5.11 118.70 111.88 3dk3 s GLU 279 Ca 0.32 1.25 -0.24 0.00 -2.50 0.00 0.00 54.97 53.80 3dk3 s GLU 279 Cb 0.37 -3.13 -0.14 0.00 0.00 0.00 0.00 34.13 31.22 3dk3 s GLU 279 CO -0.14 0.48 1.72 0.28 0.02 0.00 0.00 175.26 177.62 3dk3 h VAL 280 N 3.07 0.89 -0.20 3.70 2.07 -2.01 -2.30 116.25 121.46 3dk3 h VAL 280 Ca -0.46 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 3dk3 h VAL 280 Cb 1.20 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3dk3 h VAL 280 CO 0.66 0.00 -0.20 -0.33 0.02 0.00 0.00 177.57 177.72 3dk3 h GLU 281 N -0.11 0.34 -0.34 1.57 4.39 -2.05 -1.76 114.58 116.62 3dk3 h GLU 281 Ca 0.00 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 3dk3 h GLU 281 Cb 0.11 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3dk3 h GLU 281 CO -0.01 0.54 -0.02 0.93 -1.16 0.00 0.00 179.01 179.28 3dk3 h GLU 282 N 0.32 0.61 -0.37 2.33 5.08 -1.97 -2.36 114.58 118.21 3dk3 h GLU 282 Ca 0.05 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3dk3 h GLU 282 Cb 0.54 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 3dk3 h GLU 282 CO 0.04 0.75 0.17 0.35 -1.00 0.00 0.00 179.01 179.32 3dk3 h PHE 283 N 0.41 0.32 0.00 4.33 3.57 -1.01 -1.77 116.94 122.79 3dk3 h PHE 283 Ca 0.09 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 3dk3 h PHE 283 Cb 0.49 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3dk3 h PHE 283 CO 0.04 0.16 -0.47 -0.07 -2.23 0.00 0.00 178.31 175.74 3dk3 h LEU 284 N 0.36 0.00 -0.40 0.59 3.38 -1.33 -2.06 115.31 115.85 3dk3 h LEU 284 Ca 0.16 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 3dk3 h LEU 284 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3dk3 h LEU 284 CO -0.12 0.47 -0.28 0.50 0.09 0.00 0.00 178.44 179.10 3dk3 h LYS 285 N 0.00 0.89 -0.54 1.13 3.64 -1.21 -2.05 116.57 118.43 3dk3 h LYS 285 Ca -0.00 -0.43 0.07 0.00 -1.27 0.00 0.00 60.65 59.02 3dk3 h LYS 285 Cb 0.93 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.68 3dk3 h LYS 285 CO 0.06 1.08 0.22 0.93 -2.27 0.00 0.00 179.45 179.47 3dk3 h GLU 286 N 0.71 0.40 -0.84 1.90 5.08 -0.96 0.49 114.58 121.36 3dk3 h GLU 286 Ca 0.08 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3dk3 h GLU 286 Cb 0.86 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 3dk3 h GLU 286 CO 0.08 0.27 0.55 0.00 -1.00 0.00 0.00 179.01 178.90 3dk3 h ALA 287 N 1.35 1.08 -0.33 3.43 0.00 -1.28 -1.26 119.26 122.24 3dk3 h ALA 287 Ca 0.26 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3dk3 h ALA 287 Cb 0.27 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3dk3 h ALA 287 CO -0.24 0.44 0.01 0.00 0.00 0.00 0.00 179.25 179.46 3dk3 h ALA 288 N 1.32 0.44 -0.61 0.00 0.00 -0.70 -3.14 119.26 116.57 3dk3 h ALA 288 Ca 0.32 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3dk3 h ALA 288 Cb -0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3dk3 h ALA 288 CO -0.08 0.19 0.08 0.28 0.00 0.00 0.00 179.25 179.72 3dk3 h VAL 289 N 0.38 1.26 0.00 0.00 2.07 -0.74 -3.06 116.25 116.16 3dk3 h VAL 289 Ca 0.10 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 3dk3 h VAL 289 Cb 0.43 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3dk3 h VAL 289 CO 0.01 0.38 -0.04 0.24 0.02 0.00 0.00 177.57 178.19 3dk3 h MET 290 N 0.93 0.00 0.00 1.57 2.86 -1.21 -1.98 114.93 117.10 3dk3 h MET 290 Ca 0.18 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 3dk3 h MET 290 Cb 0.45 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 3dk3 h MET 290 CO 0.02 0.04 -0.11 0.87 1.06 0.00 0.00 176.91 178.78 3dk3 h LYS 291 N 0.00 0.00 -0.01 1.72 1.57 -1.49 -2.84 116.57 115.52 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 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3dk3 h LYS 291 CO 0.01 0.11 -0.51 0.39 -0.57 0.00 0.00 179.45 178.88 3dk3 n GLU 292 N -3.64 0.63 -3.11 3.15 1.02 -0.75 -4.88 120.64 113.07 3dk3 n GLU 292 Ca -0.02 -0.46 -0.41 0.00 -0.02 0.00 0.00 57.16 56.25 3dk3 n GLU 292 Cb 0.23 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.10 3dk3 n GLU 292 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3dk3 s ILE 293 N -2.68 4.95 -0.32 -3.67 -1.09 -1.07 -5.01 121.20 112.31 3dk3 s ILE 293 Ca 0.17 0.96 -0.01 0.00 -2.23 0.00 0.00 60.65 59.54 3dk3 s ILE 293 Cb 0.18 -3.98 0.12 0.00 -1.58 0.00 0.00 42.46 37.20 3dk3 s ILE 293 CO 0.64 -0.09 0.21 -0.75 -1.23 0.00 0.00 174.94 173.72 3dk3 s LYS 294 N 2.58 0.37 -0.17 2.79 2.20 -1.26 -4.75 119.74 121.50 3dk3 s LYS 294 Ca 0.26 -0.72 -0.15 0.00 -0.36 0.00 0.00 55.97 54.99 3dk3 s LYS 294 Cb -0.15 -1.05 0.05 0.00 -1.51 0.00 0.00 37.83 35.16 3dk3 s LYS 294 CO 0.11 -1.10 0.45 -1.58 -0.36 0.00 0.00 175.35 172.87 3dk3 s HIS 295 N 1.78 -0.51 0.58 4.03 2.46 -1.26 -5.05 115.29 117.31 3dk3 s HIS 295 Ca 0.13 1.23 0.28 0.00 0.47 0.00 0.00 55.06 57.17 3dk3 s HIS 295 Cb -0.18 0.18 1.50 0.00 -0.13 0.00 0.00 32.58 33.96 3dk3 s HIS 295 CO -0.21 -0.25 1.94 -1.00 -2.47 0.00 0.00 174.74 172.75 3dk3 h PRO 296 N 5.59 0.00 -0.24 2.88 0.13 -1.99 -2.14 132.00 136.22 3dk3 h PRO 296 Ca -0.28 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 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 0.23 0.00 -0.00 0.09 -0.23 0.00 0.00 178.00 178.08 3dk3 n ASN 297 N -3.85 3.60 -4.15 1.44 4.13 -1.26 -4.88 115.26 110.30 3dk3 n ASN 297 Ca 0.08 -3.10 -0.28 0.00 1.68 0.00 0.00 54.58 52.96 3dk3 n ASN 297 Cb 0.62 -0.54 -0.17 0.00 -1.54 0.00 0.00 39.78 38.15 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 -2.88 1.92 -0.01 3.41 1.43 -0.81 -0.78 118.68 120.97 3dk3 s LEU 298 Ca 0.41 -0.42 -0.36 0.00 -1.03 0.00 0.00 54.13 52.73 3dk3 s LEU 298 Cb 0.34 -1.12 -0.14 0.00 0.03 0.00 0.00 46.19 45.30 3dk3 s LEU 298 CO 0.07 0.14 1.64 0.52 0.23 0.00 0.00 176.35 178.96 3dk3 n VAL 299 N 3.41 0.23 -2.98 -1.59 0.31 -1.07 -4.58 118.33 112.05 3dk3 n VAL 299 Ca -0.20 -0.04 -0.40 0.00 -0.01 0.00 0.00 64.34 63.69 3dk3 n VAL 299 Cb 0.52 -1.42 -0.04 0.00 -0.91 0.00 0.00 33.84 31.99 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 2.22 4.46 0.30 5.55 2.00 -1.26 -4.87 119.66 128.07 3dk3 s GLN 300 Ca 0.88 0.99 -0.29 0.00 -2.00 0.00 0.00 55.36 54.93 3dk3 s GLN 300 Cb -0.82 -3.45 -0.10 0.00 0.80 0.00 0.00 33.01 29.45 3dk3 s GLN 300 CO 0.49 0.04 1.28 -1.17 -0.50 0.00 0.00 175.29 175.43 3dk3 s LEU 301 N 0.83 4.44 -0.08 3.68 2.96 -1.26 -2.18 118.68 127.07 3dk3 s LEU 301 Ca 0.40 2.59 0.09 0.00 -0.22 0.00 0.00 54.13 56.99 3dk3 s LEU 301 Cb -0.18 -3.64 -0.12 0.00 0.50 0.00 0.00 46.19 42.75 3dk3 s LEU 301 CO 0.20 -0.48 0.06 0.18 -1.32 0.00 0.00 176.35 174.99 3dk3 n LEU 302 N 1.15 0.00 0.00 -0.68 4.77 0.14 -4.90 117.00 117.48 3dk3 n LEU 302 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3dk3 n LEU 302 Cb 0.42 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3dk3 n LEU 302 CO 0.58 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 3dk3 n GLY 303 N 2.35 0.53 3.04 -0.72 0.00 -0.98 -4.96 105.19 104.45 3dk3 n GLY 303 Ca -0.13 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 3dk3 n GLY 303 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dk3 s VAL 304 N -2.00 0.21 -0.33 1.61 -7.23 -0.55 -0.69 120.40 111.42 3dk3 s VAL 304 Ca 0.00 -1.33 0.03 0.00 -1.81 0.00 0.00 61.98 58.86 3dk3 s VAL 304 Cb 0.00 -0.86 0.10 0.00 0.56 0.00 0.00 36.38 36.18 3dk3 s VAL 304 CO 0.00 -0.71 0.06 0.00 -0.31 0.00 0.00 175.10 174.14 3dk3 n THR 306 N 4.41 0.42 0.02 0.00 -2.24 -1.26 -1.75 114.28 113.89 3dk3 n THR 306 Ca 0.02 -0.61 -0.09 0.00 -2.27 0.00 0.00 64.05 61.10 3dk3 n THR 306 Cb 0.42 0.89 -0.07 0.00 -2.10 0.00 0.00 70.33 69.47 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 0.00 -0.16 -3.41 -0.78 -0.00 -1.95 -3.48 114.38 104.61 3dk3 h ARG 307 Ca 0.00 0.01 -0.14 0.00 -0.50 0.00 0.00 59.98 59.35 3dk3 h ARG 307 Cb 0.36 0.04 -0.21 0.00 0.00 0.00 0.00 29.97 30.16 3dk3 h ARG 307 CO 0.00 0.28 -0.45 -1.83 0.00 0.00 0.00 179.97 177.96 3dk3 s GLU 308 N -2.88 0.49 0.52 0.04 1.03 -1.26 -5.15 118.70 111.50 3dk3 s GLU 308 Ca -0.11 -0.30 -0.23 0.00 0.03 0.00 0.00 54.97 54.36 3dk3 s GLU 308 Cb -0.00 0.21 -0.06 0.00 -0.80 0.00 0.00 34.13 33.48 3dk3 s GLU 308 CO 0.41 -0.12 1.39 -2.14 -1.33 0.00 0.00 175.26 173.47 3dk3 s PRO 309 N -1.24 3.27 0.18 -4.83 0.02 -1.26 -4.30 135.00 126.84 3dk3 s PRO 309 Ca -0.13 2.32 -0.30 0.00 0.02 0.00 0.00 61.00 62.91 3dk3 s PRO 309 Cb -0.07 -2.37 -0.07 0.00 0.02 0.00 0.00 34.50 32.01 3dk3 s PRO 309 CO 0.02 -1.11 1.02 -2.14 -0.33 0.00 0.00 177.00 174.46 3dk3 s PRO 310 N -2.79 4.69 0.17 5.54 0.02 -1.26 -5.16 135.00 136.21 3dk3 s PRO 310 Ca 0.69 1.59 -0.24 0.00 0.02 0.00 0.00 61.00 63.06 3dk3 s PRO 310 Cb -0.42 -3.30 -0.08 0.00 0.02 0.00 0.00 34.50 30.72 3dk3 s PRO 310 CO 0.51 0.22 0.75 -0.06 -0.33 0.00 0.00 177.00 178.10 3dk3 s PHE 311 N -0.43 3.87 0.00 6.54 0.40 -1.26 -4.93 117.98 122.17 3dk3 s PHE 311 Ca 0.46 1.58 0.08 0.00 -0.60 0.00 0.00 56.93 58.45 3dk3 s PHE 311 Cb -0.27 -2.73 -0.02 0.00 0.51 0.00 0.00 43.02 40.51 3dk3 s PHE 311 CO 0.33 0.50 -0.24 0.71 0.70 0.00 0.00 175.22 177.22 3dk3 s TYR 312 N -1.19 2.12 -0.20 0.36 4.12 -0.71 -3.52 117.35 118.31 3dk3 s TYR 312 Ca 0.36 -0.40 0.02 0.00 0.02 0.00 0.00 57.07 57.07 3dk3 s TYR 312 Cb -0.22 -1.33 0.03 0.00 -1.52 0.00 0.00 41.96 38.92 3dk3 s TYR 312 CO 0.25 0.01 -0.16 0.42 0.02 0.00 0.00 175.55 176.09 3dk3 s ILE 313 N -0.63 2.02 -0.22 2.71 1.01 0.23 -1.50 121.20 124.82 3dk3 s ILE 313 Ca 0.09 -1.14 -0.06 0.00 0.00 0.00 0.00 60.65 59.54 3dk3 s ILE 313 Cb -0.09 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 3dk3 s ILE 313 CO -0.00 0.32 0.04 -0.63 0.00 0.00 0.00 174.94 174.67 3dk3 s ILE 314 N 1.25 4.16 0.32 2.92 1.01 0.13 -0.77 121.20 130.23 3dk3 s ILE 314 Ca 0.00 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.46 3dk3 s ILE 314 Cb -0.15 -2.91 -0.06 0.00 0.01 0.00 0.00 42.46 39.34 3dk3 s ILE 314 CO -0.10 0.39 0.04 0.42 0.00 0.00 0.00 174.94 175.68 3dk3 s THR 315 N 1.27 1.31 0.63 2.92 -4.23 0.11 0.25 115.64 117.91 3dk3 s THR 315 Ca 0.04 -2.02 -0.18 0.00 -1.18 0.00 0.00 61.69 58.35 3dk3 s THR 315 Cb -0.15 -2.74 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 3dk3 s THR 315 CO 0.02 -0.06 1.29 -1.83 -0.54 0.00 0.00 174.62 173.50 3dk3 s GLU 316 N -3.85 2.65 -0.15 3.99 -1.05 -0.93 -1.25 118.70 118.11 3dk3 s GLU 316 Ca 0.35 2.04 -0.15 0.00 -0.15 0.00 0.00 54.97 57.07 3dk3 s GLU 316 Cb 0.08 -1.88 -0.05 0.00 -0.44 0.00 0.00 34.13 31.84 3dk3 s GLU 316 CO 0.15 -1.51 0.33 0.12 0.95 0.00 0.00 175.26 175.29 3dk3 s PHE 317 N -1.41 3.48 -0.48 4.83 5.36 -1.25 -4.20 117.98 124.29 3dk3 s PHE 317 Ca 0.81 0.66 -0.16 0.00 -0.96 0.00 0.00 56.93 57.27 3dk3 s PHE 317 Cb -0.37 -2.37 0.07 0.00 -0.34 0.00 0.00 43.02 40.01 3dk3 s PHE 317 CO 0.39 0.24 0.45 -1.64 -1.46 0.00 0.00 175.22 173.21 3dk3 s MET 318 N 0.44 3.01 0.46 10.12 -1.94 -1.26 -4.97 119.30 125.17 3dk3 s MET 318 Ca 0.18 -1.24 0.12 0.00 -1.71 0.00 0.00 55.69 53.04 3dk3 s MET 318 Cb -0.13 -4.13 1.06 0.00 2.01 0.00 0.00 34.83 33.64 3dk3 s MET 318 CO 0.05 -1.08 2.10 1.79 -0.01 0.00 0.00 175.02 177.87 3dk3 h THR 319 N 5.78 1.06 -0.44 2.05 1.35 -1.93 -2.30 112.91 118.49 3dk3 h THR 319 Ca -0.28 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3dk3 h THR 319 Cb 1.11 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3dk3 h THR 319 CO 0.90 0.06 0.00 -1.22 -0.25 0.00 0.00 175.52 175.01 3dk3 n TYR 320 N -4.49 0.59 -4.37 4.73 4.02 -0.72 -5.06 117.16 111.86 3dk3 n TYR 320 Ca -0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 57.90 57.60 3dk3 n TYR 320 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 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 1.35 0.40 3.90 2.72 0.00 -0.87 -4.70 105.19 107.99 3dk3 n GLY 321 Ca 0.18 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 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 6.38 0.39 1.61 2.20 -1.26 -0.26 114.94 120.01 3dk3 s ASN 322 Ca 0.00 0.90 0.09 0.00 -0.94 0.00 0.00 52.86 52.90 3dk3 s ASN 322 Cb 0.00 -2.23 0.79 0.00 -2.00 0.00 0.00 41.25 37.81 3dk3 s ASN 322 CO 0.00 -0.41 1.94 0.25 -2.94 0.00 0.00 177.10 175.94 3dk3 h LEU 323 N 0.91 0.29 0.49 3.54 5.85 -0.50 -1.86 115.31 124.03 3dk3 h LEU 323 Ca -0.47 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 3dk3 h LEU 323 Cb 1.20 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3dk3 h LEU 323 CO 0.63 0.39 -0.24 0.25 -0.34 0.00 0.00 178.44 179.13 3dk3 h LEU 324 N 0.30 -0.56 -0.97 2.25 5.85 -1.78 -0.37 115.31 120.03 3dk3 h LEU 324 Ca 0.07 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 3dk3 h LEU 324 Cb 0.29 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3dk3 h LEU 324 CO 0.01 -0.36 0.20 0.44 -0.34 0.00 0.00 178.44 178.39 3dk3 h ASP 325 N -0.72 0.88 -0.43 1.25 3.32 -1.88 -2.19 116.42 116.65 3dk3 h ASP 325 Ca -0.07 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 3dk3 h ASP 325 Cb 0.53 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3dk3 h ASP 325 CO 0.11 0.83 0.24 0.22 -1.72 0.00 0.00 179.24 178.92 3dk3 h TYR 326 N 0.92 0.58 -0.46 4.55 3.20 -1.22 -1.59 116.97 122.96 3dk3 h TYR 326 Ca 0.21 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.95 3dk3 h TYR 326 Cb 0.26 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3dk3 h TYR 326 CO 0.02 0.44 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.74 3dk3 h LEU 327 N 0.56 0.89 -0.93 2.82 3.38 -0.92 -1.81 115.31 119.31 3dk3 h LEU 327 Ca 0.15 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 3dk3 h LEU 327 Cb 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3dk3 h LEU 327 CO -0.03 1.04 -0.36 0.03 0.09 0.00 0.00 178.44 179.22 3dk3 h ARG 328 N 0.78 0.33 -0.02 1.13 3.08 -1.23 -3.27 114.38 115.19 3dk3 h ARG 328 Ca 0.12 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3dk3 h ARG 328 Cb 0.69 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3dk3 h ARG 328 CO 0.05 0.66 -0.24 0.39 -1.07 0.00 0.00 179.97 179.76 3dk3 n GLU 329 N -4.06 1.63 -1.46 0.04 1.02 -0.61 -5.03 120.64 112.17 3dk3 n GLU 329 Ca -0.01 -1.27 -0.30 0.00 -0.02 0.00 0.00 57.16 55.56 3dk3 n GLU 329 Cb 0.46 -1.39 0.09 0.00 -0.02 0.00 0.00 31.44 30.58 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 -3.73 6.51 0.49 0.00 3.84 -1.26 -4.94 114.94 115.85 3dk3 s ASN 331 Ca 0.61 0.16 0.32 0.00 0.21 0.00 0.00 52.86 54.16 3dk3 s ASN 331 Cb -0.15 -2.49 1.44 0.00 -0.55 0.00 0.00 41.25 39.50 3dk3 s ASN 331 CO 0.55 -1.18 1.97 0.03 -2.79 0.00 0.00 177.10 175.68 3dk3 h ARG 332 N 9.20 0.00 -0.04 0.43 3.08 -1.95 0.14 114.38 125.24 3dk3 h ARG 332 Ca -0.24 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.65 3dk3 h ARG 332 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 3dk3 h ARG 332 CO 1.08 0.00 -0.68 1.96 -1.07 0.00 0.00 179.97 181.26 3dk3 h GLN 333 N 0.00 0.20 0.04 0.04 1.08 -1.99 -3.22 115.11 111.25 3dk3 h GLN 333 Ca 0.00 -0.16 -0.12 0.00 -1.45 0.00 0.00 58.65 56.92 3dk3 h GLN 333 Cb 0.36 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 3dk3 h GLN 333 CO 0.00 0.80 -0.62 1.49 -0.95 0.00 0.00 178.83 179.55 3dk3 h GLU 334 N 0.14 0.08 -4.50 1.46 4.81 -1.74 -3.39 114.58 111.43 3dk3 h GLU 334 Ca -0.02 -0.13 -0.74 0.00 -0.13 0.00 0.00 59.36 58.34 3dk3 h GLU 334 Cb 1.22 0.05 -0.16 0.00 0.63 0.00 0.00 28.75 30.48 3dk3 h GLU 334 CO 0.10 1.06 1.61 0.28 -0.73 0.00 0.00 179.01 181.34 3dk3 n VAL 335 N -4.40 4.24 -2.34 0.32 0.31 0.40 -4.88 118.33 111.98 3dk3 n VAL 335 Ca -0.18 -4.58 -0.11 0.00 -0.01 0.00 0.00 64.34 59.47 3dk3 n VAL 335 Cb 0.64 -2.43 0.06 0.00 -0.91 0.00 0.00 33.84 31.19 3dk3 n VAL 335 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3dk3 n SER 336 N 5.39 0.57 -0.37 4.52 3.41 -1.22 -4.57 113.62 121.35 3dk3 n SER 336 Ca 0.39 -1.49 0.03 0.00 -0.26 0.00 0.00 58.87 57.54 3dk3 n SER 336 Cb 0.41 -0.30 0.18 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.61 1.41 -0.21 7.33 0.00 -1.93 -1.52 119.26 123.72 3dk3 h ALA 337 Ca -0.15 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3dk3 h ALA 337 Cb 0.55 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3dk3 h ALA 337 CO 0.16 0.40 -0.23 -0.24 0.00 0.00 0.00 179.25 179.34 3dk3 h VAL 338 N 1.14 1.25 -0.45 0.00 3.04 -1.95 -2.11 116.25 117.18 3dk3 h VAL 338 Ca 0.44 -1.16 -0.14 0.00 -1.01 0.00 0.00 66.70 64.82 3dk3 h VAL 338 Cb 0.22 1.34 -0.01 0.00 -2.01 0.00 0.00 31.29 30.83 3dk3 h VAL 338 CO -0.19 0.37 -0.29 0.58 -1.01 0.00 0.00 177.57 177.03 3dk3 h VAL 339 N 0.35 1.27 -0.88 1.51 2.07 -1.65 -0.70 116.25 118.22 3dk3 h VAL 339 Ca 0.06 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 3dk3 h VAL 339 Cb 0.60 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 3dk3 h VAL 339 CO 0.04 0.50 0.50 -0.07 0.02 0.00 0.00 177.57 178.56 3dk3 h LEU 340 N 0.82 1.08 -0.79 2.57 3.38 -1.03 0.07 115.31 121.42 3dk3 h LEU 340 Ca 0.09 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3dk3 h LEU 340 Cb 0.87 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3dk3 h LEU 340 CO 0.08 0.85 0.09 -0.07 0.09 0.00 0.00 178.44 179.49 3dk3 h LEU 341 N 1.22 0.97 -0.60 1.67 3.38 -1.26 -1.80 115.31 118.89 3dk3 h LEU 341 Ca 0.31 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3dk3 h LEU 341 Cb -0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3dk3 h LEU 341 CO -0.05 0.97 0.30 0.22 0.09 0.00 0.00 178.44 179.96 3dk3 h TYR 342 N 0.95 0.86 -0.36 1.13 3.20 -0.39 -0.73 116.97 121.62 3dk3 h TYR 342 Ca 0.19 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 3dk3 h TYR 342 Cb 0.42 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3dk3 h TYR 342 CO 0.03 0.65 -0.10 0.52 -1.64 0.00 0.00 178.16 177.62 3dk3 h MET 343 N 0.82 0.70 -0.72 1.82 2.86 -0.92 -1.87 114.93 117.62 3dk3 h MET 343 Ca 0.21 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3dk3 h MET 343 Cb 0.11 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 3dk3 h MET 343 CO -0.03 0.86 0.39 0.00 1.06 0.00 0.00 176.91 179.19 3dk3 h ALA 344 N 0.82 1.33 -0.42 6.32 0.00 -1.21 -1.70 119.26 124.40 3dk3 h ALA 344 Ca 0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3dk3 h ALA 344 Cb 0.61 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3dk3 h ALA 344 CO 0.04 0.54 0.12 1.15 0.00 0.00 0.00 179.25 181.10 3dk3 h THR 345 N 1.00 1.22 -0.20 0.00 2.02 -0.95 -2.03 112.91 113.98 3dk3 h THR 345 Ca 0.25 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 3dk3 h THR 345 Cb 0.03 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3dk3 h THR 345 CO -0.04 0.27 0.09 1.56 0.37 0.00 0.00 175.52 177.77 3dk3 h GLN 346 N 0.55 0.29 -0.48 6.66 4.20 -1.04 -1.23 115.11 124.04 3dk3 h GLN 346 Ca 0.14 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 3dk3 h GLN 346 Cb 0.28 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 3dk3 h GLN 346 CO -0.00 0.32 0.18 0.82 -0.67 0.00 0.00 178.83 179.48 3dk3 h ILE 347 N 0.18 1.22 -0.03 2.54 2.04 -1.31 -2.35 117.51 119.81 3dk3 h ILE 347 Ca 0.07 -0.69 -0.08 0.00 1.00 0.00 0.00 64.86 65.16 3dk3 h ILE 347 Cb 0.13 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3dk3 h ILE 347 CO -0.01 0.26 -0.36 0.77 0.00 0.00 0.00 178.15 178.81 3dk3 h SER 348 N 0.64 0.05 -0.25 1.72 4.64 -1.34 -1.30 113.55 117.71 3dk3 h SER 348 Ca 0.16 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 3dk3 h SER 348 Cb 0.22 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3dk3 h SER 348 CO -0.01 0.41 0.11 -1.28 -0.87 0.00 0.00 176.83 175.20 3dk3 h SER 349 N 0.05 0.34 -0.69 4.97 0.87 -0.89 0.33 113.55 118.52 3dk3 h SER 349 Ca 0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 3dk3 h SER 349 Cb 0.66 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 3dk3 h SER 349 CO 0.05 0.39 0.45 0.00 -0.53 0.00 0.00 176.83 177.19 3dk3 h ALA 350 N 0.96 0.88 -0.05 6.23 0.00 -1.14 -2.14 119.26 123.99 3dk3 h ALA 350 Ca 0.09 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3dk3 h ALA 350 Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3dk3 h ALA 350 CO -0.01 0.31 -0.51 0.52 0.00 0.00 0.00 179.25 179.56 3dk3 h MET 351 N 0.94 0.13 -0.45 0.00 2.86 -1.07 -2.11 114.93 115.23 3dk3 h MET 351 Ca 0.25 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.73 3dk3 h MET 351 Cb -0.09 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 3dk3 h MET 351 CO -0.05 0.62 -0.05 1.49 1.06 0.00 0.00 176.91 179.98 3dk3 h GLU 352 N 0.11 0.77 -0.33 1.72 4.81 -0.70 -1.37 114.58 119.59 3dk3 h GLU 352 Ca 0.00 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 3dk3 h GLU 352 Cb 0.94 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 3dk3 h GLU 352 CO 0.07 0.81 0.11 -0.92 -0.73 0.00 0.00 179.01 178.36 3dk3 h TYR 353 N 0.71 0.53 -0.61 0.92 3.20 -1.00 -0.42 116.97 120.31 3dk3 h TYR 353 Ca 0.13 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 3dk3 h TYR 353 Cb 0.50 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 3dk3 h TYR 353 CO 0.03 0.52 0.14 -0.07 -1.64 0.00 0.00 178.16 177.13 3dk3 h LEU 354 N 0.38 0.91 -0.85 2.82 3.38 -1.31 0.13 115.31 120.77 3dk3 h LEU 354 Ca 0.11 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3dk3 h LEU 354 Cb 0.23 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3dk3 h LEU 354 CO -0.00 0.89 0.54 -0.08 0.09 0.00 0.00 178.44 179.87 3dk3 h GLU 355 N 0.92 1.14 -0.31 1.13 4.81 -1.10 0.17 114.58 121.35 3dk3 h GLU 355 Ca 0.19 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 59.18 3dk3 h GLU 355 Cb 0.35 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 3dk3 h GLU 355 CO 0.00 0.78 -0.44 -0.22 -0.73 0.00 0.00 179.01 178.41 3dk3 h LYS 356 N 1.17 0.84 -0.51 1.92 3.64 -0.51 -3.29 116.57 119.82 3dk3 h LYS 356 Ca 0.31 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3dk3 h LYS 356 Cb -0.09 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3dk3 h LYS 356 CO -0.06 1.13 0.00 1.63 -2.27 0.00 0.00 179.45 179.87 3dk3 n LYS 357 N -4.10 2.22 -3.26 1.90 4.76 0.40 -4.94 118.16 115.15 3dk3 n LYS 357 Ca -0.04 -1.81 -0.15 0.00 -2.87 0.00 0.00 58.31 53.45 3dk3 n LYS 357 Cb 0.57 -1.42 0.08 0.00 -1.84 0.00 0.00 35.03 32.42 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 0.93 -2.15 -4.41 4.39 3.02 -0.57 -4.96 115.26 111.51 3dk3 n ASN 358 Ca 0.17 -0.55 -0.28 0.00 -0.03 0.00 0.00 54.58 53.89 3dk3 n ASN 358 Cb 0.44 -4.60 -0.12 0.00 -0.61 0.00 0.00 39.78 34.89 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 -3.32 2.31 -0.02 3.10 0.40 0.51 -1.72 117.98 119.24 3dk3 s PHE 359 Ca 0.01 -0.37 0.06 0.00 -0.60 0.00 0.00 56.93 56.04 3dk3 s PHE 359 Cb -0.00 -1.20 -0.02 0.00 0.51 0.00 0.00 43.02 42.31 3dk3 s PHE 359 CO 0.65 0.42 -0.21 -1.50 0.70 0.00 0.00 175.22 175.27 3dk3 s ILE 360 N -1.35 1.65 -0.17 0.64 2.07 -0.51 -4.31 121.20 119.22 3dk3 s ILE 360 Ca 0.17 -0.89 -0.16 0.00 -1.41 0.00 0.00 60.65 58.36 3dk3 s ILE 360 Cb -0.09 -1.37 -0.12 0.00 0.13 0.00 0.00 42.46 41.01 3dk3 s ILE 360 CO 0.08 0.47 0.11 -0.74 -1.91 0.00 0.00 174.94 172.95 3dk3 h HIS 361 N 5.65 0.00 0.00 3.50 -0.00 -1.90 -1.65 115.15 120.75 3dk3 h HIS 361 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.98 3dk3 h HIS 361 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.55 3dk3 h HIS 361 CO 0.40 0.77 0.00 0.54 -0.00 0.00 0.00 177.93 179.63 3dk3 n ARG 362 N -4.55 0.00 -2.75 5.26 1.74 -1.26 -4.67 116.66 110.43 3dk3 n ARG 362 Ca -0.18 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.87 3dk3 n ARG 362 Cb 0.45 -2.45 0.08 0.00 -1.02 0.00 0.00 32.46 29.51 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 0.26 -4.68 0.55 2.03 -1.26 -5.03 116.55 108.42 3dk3 n ASP 363 Ca 0.00 -2.23 -0.42 0.00 0.52 0.00 0.00 54.79 52.65 3dk3 n ASP 363 Cb 0.00 0.03 -0.03 0.00 -0.72 0.00 0.00 41.12 40.40 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 -3.74 4.29 0.05 -2.67 2.96 -1.26 -4.76 118.68 113.56 3dk3 s LEU 364 Ca 0.21 2.07 -0.28 0.00 -0.22 0.00 0.00 54.13 55.91 3dk3 s LEU 364 Cb 0.39 -3.55 0.09 0.00 0.50 0.00 0.00 46.19 43.62 3dk3 s LEU 364 CO -0.06 -0.77 0.96 0.00 -1.32 0.00 0.00 176.35 175.16 3dk3 s ALA 365 N 2.96 -1.79 0.36 5.97 0.00 -1.26 -4.68 121.76 123.32 3dk3 s ALA 365 Ca 0.64 0.63 0.04 0.00 0.00 0.00 0.00 51.96 53.28 3dk3 s ALA 365 Cb -0.30 0.48 0.69 0.00 0.00 0.00 0.00 23.12 23.99 3dk3 s ALA 365 CO 0.25 -0.87 1.97 0.00 0.00 0.00 0.00 175.76 177.12 3dk3 h ALA 366 N 2.00 1.53 0.00 0.00 0.00 -1.93 -1.67 119.26 119.19 3dk3 h ALA 366 Ca -0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3dk3 h ALA 366 Cb 1.23 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3dk3 h ALA 366 CO 0.28 0.38 -0.07 0.07 0.00 0.00 0.00 179.25 179.91 3dk3 h ARG 367 N 0.63 0.00 -0.38 0.00 0.11 -1.95 -2.43 114.38 110.36 3dk3 h ARG 367 Ca 0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.24 3dk3 h ARG 367 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 3dk3 h ARG 367 CO -0.02 0.07 0.00 0.09 0.10 0.00 0.00 179.97 180.20 3dk3 n ASN 368 N -3.40 4.50 -4.46 0.08 3.02 -0.65 -4.79 115.26 109.56 3dk3 n ASN 368 Ca -0.02 -2.95 -0.32 0.00 -0.03 0.00 0.00 54.58 51.27 3dk3 n ASN 368 Cb 0.21 -0.58 -0.13 0.00 -0.61 0.00 0.00 39.78 38.67 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 -0.89 2.21 -0.10 0.00 1.43 0.12 -0.38 118.68 121.07 3dk3 s LEU 370 Ca 0.12 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 3dk3 s LEU 370 Cb -0.11 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.96 3dk3 s LEU 370 CO 0.02 0.19 -0.15 -0.69 0.23 0.00 0.00 176.35 175.95 3dk3 s VAL 371 N -0.89 2.95 0.00 -1.59 1.01 0.65 -0.40 120.40 122.12 3dk3 s VAL 371 Ca 0.10 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3dk3 s VAL 371 Cb -0.10 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3dk3 s VAL 371 CO 0.03 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3dk3 n GLY 372 N 3.15 3.37 3.75 4.51 0.00 0.65 -1.75 105.19 118.87 3dk3 n GLY 372 Ca -0.18 -2.15 -0.37 0.00 0.00 0.00 0.00 46.02 43.31 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 -1.48 3.13 -1.26 1.61 8.01 -1.26 -3.64 118.70 123.81 3dk3 s GLU 373 Ca 0.00 2.06 -0.08 0.00 0.01 0.00 0.00 54.97 56.96 3dk3 s GLU 373 Cb 0.00 -2.17 0.01 0.00 -4.31 0.00 0.00 34.13 27.66 3dk3 s GLU 373 CO 0.00 -1.14 1.01 0.09 0.01 0.00 0.00 175.26 175.23 3dk3 n ASN 374 N -1.16 -5.96 -2.02 -0.19 3.02 -1.26 -2.92 115.26 104.77 3dk3 n ASN 374 Ca 0.11 -0.46 -0.20 0.00 -0.03 0.00 0.00 54.58 54.00 3dk3 n ASN 374 Cb 0.47 -4.60 -0.04 0.00 -0.61 0.00 0.00 39.78 34.99 3dk3 n ASN 374 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3dk3 n HIS 375 N -4.73 -0.57 -2.10 3.10 8.25 -1.24 -4.96 115.22 112.98 3dk3 n HIS 375 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 3dk3 n HIS 375 Cb 0.56 -3.71 -0.03 0.00 1.12 0.00 0.00 29.99 27.93 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 -5.38 4.34 -0.11 2.41 2.96 -1.15 -4.78 118.68 116.98 3dk3 s LEU 376 Ca 0.00 2.28 0.03 0.00 -0.22 0.00 0.00 54.13 56.23 3dk3 s LEU 376 Cb 0.00 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.12 3dk3 s LEU 376 CO 0.00 -0.78 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.33 3dk3 s VAL 377 N 2.35 2.17 -0.04 1.68 1.01 -1.26 -0.26 120.40 126.06 3dk3 s VAL 377 Ca 0.68 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.73 3dk3 s VAL 377 Cb -0.35 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 3dk3 s VAL 377 CO 0.29 0.55 -0.18 -0.54 0.00 0.00 0.00 175.10 175.23 3dk3 s LYS 378 N 0.39 1.73 0.05 2.72 1.02 0.46 -4.67 119.74 121.45 3dk3 s LYS 378 Ca -0.17 -0.64 -0.30 0.00 0.02 0.00 0.00 55.97 54.88 3dk3 s LYS 378 Cb -0.18 -1.55 -0.05 0.00 -0.52 0.00 0.00 37.83 35.54 3dk3 s LYS 378 CO 0.07 0.29 1.09 0.08 -0.92 0.00 0.00 175.35 175.97 3dk3 s VAL 379 N -0.11 4.38 0.22 3.17 1.01 0.04 0.16 120.40 129.28 3dk3 s VAL 379 Ca -0.01 1.74 -0.30 0.00 0.00 0.00 0.00 61.98 63.41 3dk3 s VAL 379 Cb -0.10 -4.12 -0.10 0.00 0.00 0.00 0.00 36.38 32.06 3dk3 s VAL 379 CO 0.01 0.16 1.43 0.00 0.00 0.00 0.00 175.10 176.70 3dk3 s ALA 380 N 0.88 3.63 -0.03 5.51 0.00 -0.28 -2.61 121.76 128.86 3dk3 s ALA 380 Ca 0.55 1.28 0.04 0.00 0.00 0.00 0.00 51.96 53.83 3dk3 s ALA 380 Cb -0.26 -3.55 0.07 0.00 0.00 0.00 0.00 23.12 19.38 3dk3 s ALA 380 CO 0.29 -0.70 1.03 -0.40 0.00 0.00 0.00 175.76 175.99 3dk3 n ASP 381 N 2.72 0.47 -0.26 0.00 5.75 -1.26 -4.82 116.55 119.16 3dk3 n ASP 381 Ca 0.08 -2.22 -0.03 0.00 -0.01 0.00 0.00 54.79 52.62 3dk3 n ASP 381 Cb 0.41 -0.25 0.09 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.03 0.83 -0.58 2.11 0.05 -1.95 -3.25 116.94 114.18 3dk3 h PHE 382 Ca -0.00 0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.77 3dk3 h PHE 382 Cb 1.33 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 38.99 3dk3 h PHE 382 CO 0.09 0.46 0.04 0.41 -0.18 0.00 0.00 178.31 179.13 3dk3 n GLY 383 N -1.30 3.02 3.78 -1.45 0.00 -1.26 -4.71 105.19 103.27 3dk3 n GLY 383 Ca 0.08 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.67 4.35 0.08 0.99 1.43 -1.23 -4.89 118.68 116.74 3dk3 s LEU 384 Ca 0.52 2.93 0.10 0.00 -1.03 0.00 0.00 54.13 56.66 3dk3 s LEU 384 Cb 0.40 -3.67 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 3dk3 s LEU 384 CO 0.15 -0.78 -0.26 -0.44 0.23 0.00 0.00 176.35 175.25 3dk3 s SER 385 N -0.26 3.20 -0.12 2.29 0.01 -0.62 -4.96 113.70 113.23 3dk3 s SER 385 Ca 0.52 -0.66 -0.30 0.00 1.31 0.00 0.00 55.95 56.83 3dk3 s SER 385 Cb -0.44 -0.26 -0.02 0.00 0.21 0.00 0.00 66.02 65.51 3dk3 s SER 385 CO 0.60 0.22 1.17 -0.13 0.41 0.00 0.00 173.24 175.51 3dk3 s ARG 386 N -1.59 4.31 -0.30 12.44 0.52 -1.26 -1.42 118.95 131.65 3dk3 s ARG 386 Ca 0.12 1.59 -0.09 0.00 -0.52 0.00 0.00 55.73 56.83 3dk3 s ARG 386 Cb -0.10 -3.63 0.15 0.00 0.52 0.00 0.00 34.95 31.89 3dk3 s ARG 386 CO 0.04 -0.53 0.70 -1.17 0.02 0.00 0.00 175.30 174.36 3dk3 s LEU 387 N 2.71 -1.09 0.17 2.53 2.96 -0.70 -4.93 118.68 120.33 3dk3 s LEU 387 Ca 0.53 1.27 -0.33 0.00 -0.22 0.00 0.00 54.13 55.37 3dk3 s LEU 387 Cb -0.22 2.15 -0.14 0.00 0.50 0.00 0.00 46.19 48.48 3dk3 s LEU 387 CO 0.17 -0.21 1.48 0.23 -1.32 0.00 0.00 176.35 176.70 3dk3 n MET 388 N 5.38 1.95 -1.68 1.98 2.81 -1.26 -3.79 117.12 122.50 3dk3 n MET 388 Ca -0.09 0.70 -0.43 0.00 -1.81 0.00 0.00 57.70 56.07 3dk3 n MET 388 Cb 0.50 -2.41 -0.03 0.00 -0.71 0.00 0.00 33.22 30.57 3dk3 n MET 388 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3dk3 n THR 389 N 2.78 0.52 0.00 2.03 -1.04 -1.26 -0.98 114.28 116.33 3dk3 n THR 389 Ca 0.15 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3dk3 n THR 389 Cb 0.28 -2.18 0.00 0.00 -1.82 0.00 0.00 70.33 66.61 3dk3 n THR 389 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dk3 n GLY 390 N 4.35 2.59 3.70 3.41 0.00 -1.26 -5.09 105.19 112.90 3dk3 n GLY 390 Ca 0.19 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 3dk3 n GLY 390 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dk3 s ASP 391 N -0.03 3.37 0.21 1.61 -0.00 -0.15 -4.98 116.67 116.70 3dk3 s ASP 391 Ca 0.00 1.66 0.12 0.00 -0.00 0.00 0.00 52.55 54.32 3dk3 s ASP 391 Cb 0.00 -2.31 -0.05 0.00 -0.00 0.00 0.00 42.92 40.57 3dk3 s ASP 391 CO 0.00 -2.73 -0.23 0.42 -0.00 0.00 0.00 175.17 172.63 3dk3 s THR 392 N -2.84 2.39 -0.03 -1.27 -4.23 -1.26 -4.59 115.64 103.80 3dk3 s THR 392 Ca 0.64 -2.12 0.05 0.00 -1.18 0.00 0.00 61.69 59.09 3dk3 s THR 392 Cb -0.19 -2.17 -0.01 0.00 1.34 0.00 0.00 72.50 71.47 3dk3 s THR 392 CO 0.58 -0.18 -0.20 0.12 -0.54 0.00 0.00 174.62 174.40 3dk3 s PHE 393 N -1.86 1.88 -0.26 3.99 5.36 0.91 -4.95 117.98 123.05 3dk3 s PHE 393 Ca 0.23 -0.47 -0.07 0.00 -0.96 0.00 0.00 56.93 55.66 3dk3 s PHE 393 Cb -0.07 -1.24 -0.01 0.00 -0.34 0.00 0.00 43.02 41.36 3dk3 s PHE 393 CO 0.11 -0.12 0.05 0.99 -1.46 0.00 0.00 175.22 174.79 3dk3 s THR 394 N -0.21 4.05 0.78 0.12 2.01 -1.26 -0.16 115.64 120.97 3dk3 s THR 394 Ca 0.01 -0.37 -0.11 0.00 0.31 0.00 0.00 61.69 61.53 3dk3 s THR 394 Cb -0.10 -2.94 0.07 0.00 0.01 0.00 0.00 72.50 69.53 3dk3 s THR 394 CO 0.01 0.28 1.10 0.00 -0.69 0.00 0.00 174.62 175.33 3dk3 s ALA 395 N 1.56 2.15 0.72 7.40 0.00 -0.14 -5.01 121.76 128.45 3dk3 s ALA 395 Ca 0.05 0.35 -0.13 0.00 0.00 0.00 0.00 51.96 52.24 3dk3 s ALA 395 Cb -0.15 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.69 3dk3 s ALA 395 CO 0.02 -1.88 1.11 -3.38 0.00 0.00 0.00 175.76 171.62 3dk3 s HIS 396 N -2.80 2.55 0.10 0.00 -3.43 -1.26 -4.95 115.29 105.50 3dk3 s HIS 396 Ca 0.63 1.56 -0.31 0.00 -0.80 0.00 0.00 55.06 56.14 3dk3 s HIS 396 Cb -0.18 -3.13 -0.09 0.00 -1.43 0.00 0.00 32.58 27.75 3dk3 s HIS 396 CO 0.55 -1.81 1.64 0.00 -2.00 0.00 0.00 174.74 173.12 3dk3 s ALA 397 N -2.60 3.71 0.00 -1.38 0.00 -1.26 -2.32 121.76 117.91 3dk3 s ALA 397 Ca 0.64 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.86 3dk3 s ALA 397 Cb -0.19 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.25 3dk3 s ALA 397 CO 0.49 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.64 3dk3 n GLY 398 N 3.94 0.57 3.75 0.00 0.00 -1.26 -5.04 105.19 107.14 3dk3 n GLY 398 Ca 0.15 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.00 3.45 -0.17 4.61 0.00 -0.98 -5.03 121.76 121.64 3dk3 s ALA 399 Ca 0.00 1.00 -0.07 0.00 0.00 0.00 0.00 51.96 52.89 3dk3 s ALA 399 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 3dk3 s ALA 399 CO 0.00 -0.38 0.05 0.15 0.00 0.00 0.00 175.76 175.59 3dk3 s LYS 400 N -0.71 3.87 0.22 0.00 1.02 -1.26 -5.05 119.74 117.83 3dk3 s LYS 400 Ca 0.51 -0.35 0.09 0.00 0.02 0.00 0.00 55.97 56.24 3dk3 s LYS 400 Cb -0.34 -3.16 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 3dk3 s LYS 400 CO 0.40 0.32 -0.07 -0.06 -0.92 0.00 0.00 175.35 175.02 3dk3 s PHE 401 N 0.22 2.63 -0.93 3.18 2.99 -1.26 -5.05 117.98 119.76 3dk3 s PHE 401 Ca 0.04 -0.23 -0.24 0.00 0.00 0.00 0.00 56.93 56.50 3dk3 s PHE 401 Cb -0.12 -1.23 -0.03 0.00 0.00 0.00 0.00 43.02 41.63 3dk3 s PHE 401 CO 0.01 0.57 1.87 -1.25 -0.00 0.00 0.00 175.22 176.42 3dk3 s PRO 402 N -3.18 2.71 0.26 0.24 0.04 -1.26 -4.88 135.00 128.94 3dk3 s PRO 402 Ca 0.28 -0.46 -0.02 0.00 0.04 0.00 0.00 61.00 60.83 3dk3 s PRO 402 Cb -0.08 -5.12 0.54 0.00 0.04 0.00 0.00 34.50 29.89 3dk3 s PRO 402 CO 0.17 -3.23 1.71 0.82 0.04 0.00 0.00 177.00 176.51 3dk3 h ILE 403 N 7.13 0.55 0.00 0.56 2.04 -1.94 -1.77 117.51 124.09 3dk3 h ILE 403 Ca 0.12 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3dk3 h ILE 403 Cb 1.00 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3dk3 h ILE 403 CO 1.24 0.07 0.00 0.29 0.00 0.00 0.00 178.15 179.75 3dk3 n LYS 404 N -5.06 0.07 0.00 2.37 5.02 -1.26 -1.66 118.16 117.63 3dk3 n LYS 404 Ca 0.17 0.31 0.07 0.00 -2.02 0.00 0.00 58.31 56.84 3dk3 n LYS 404 Cb 0.50 -1.63 0.04 0.00 -0.02 0.00 0.00 35.03 33.92 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 -1.75 0.00 -3.67 2.13 8.01 -0.67 -4.96 117.44 116.53 3dk3 n TRP 405 Ca 0.03 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.86 3dk3 n TRP 405 Cb 0.19 0.00 -0.09 0.00 -2.01 0.00 0.00 31.31 29.40 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 -1.40 5.37 0.53 -0.99 2.01 -0.66 -3.89 115.64 116.60 3dk3 s THR 406 Ca 0.15 0.22 -0.22 0.00 0.31 0.00 0.00 61.69 62.15 3dk3 s THR 406 Cb 0.12 -3.50 -0.06 0.00 0.01 0.00 0.00 72.50 69.07 3dk3 s THR 406 CO 0.24 0.37 1.35 0.00 -0.69 0.00 0.00 174.62 175.90 3dk3 n ALA 407 N 4.02 1.58 -0.35 7.40 0.00 -1.26 -4.77 120.51 127.11 3dk3 n ALA 407 Ca -0.15 0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3dk3 n ALA 407 Cb 0.52 -2.35 0.31 0.00 0.00 0.00 0.00 19.45 17.93 3dk3 n ALA 407 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3dk3 h PRO 408 N 1.57 0.79 0.00 0.00 0.13 -1.96 -0.62 132.00 131.92 3dk3 h PRO 408 Ca -0.50 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 64.51 3dk3 h PRO 408 Cb 1.30 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3dk3 h PRO 408 CO 0.58 0.52 -0.32 1.05 -0.23 0.00 0.00 178.00 179.59 3dk3 h GLU 409 N 0.81 0.00 -0.08 0.86 9.09 -1.88 -1.59 114.58 121.79 3dk3 h GLU 409 Ca 0.56 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.81 3dk3 h GLU 409 Cb 0.82 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.93 3dk3 h GLU 409 CO -0.36 0.32 -0.61 0.77 0.05 0.00 0.00 179.01 179.19 3dk3 h SER 410 N 0.00 0.67 -0.57 3.06 0.02 -1.04 -1.39 113.55 114.31 3dk3 h SER 410 Ca -0.00 -0.67 -0.08 0.00 -0.84 0.00 0.00 61.79 60.20 3dk3 h SER 410 Cb 0.61 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 3dk3 h SER 410 CO 0.04 1.24 0.06 -0.07 -1.14 0.00 0.00 176.83 176.97 3dk3 h LEU 411 N 0.16 0.93 0.12 5.07 3.38 -1.07 -0.64 115.31 123.26 3dk3 h LEU 411 Ca -0.05 -0.28 -0.34 0.00 0.09 0.00 0.00 57.88 57.31 3dk3 h LEU 411 Cb 1.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3dk3 h LEU 411 CO 0.12 0.97 -1.76 0.00 0.09 0.00 0.00 178.44 177.86 3dk3 h ALA 412 N 0.99 0.36 0.00 1.53 0.00 -1.40 -3.41 119.26 117.33 3dk3 h ALA 412 Ca 0.17 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.82 3dk3 h ALA 412 Cb 0.46 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3dk3 h ALA 412 CO 0.02 1.22 0.00 0.66 0.00 0.00 0.00 179.25 181.15 3dk3 n TYR 413 N -3.45 0.00 -1.97 0.00 4.02 -0.55 -5.00 117.16 110.22 3dk3 n TYR 413 Ca -0.24 -0.24 -0.20 0.00 -0.01 0.00 0.00 57.90 57.22 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 -0.24 -5.37 -4.69 7.72 4.13 -0.25 -4.84 115.26 111.72 3dk3 n ASN 414 Ca 0.00 0.26 -0.38 0.00 1.68 0.00 0.00 54.58 56.14 3dk3 n ASN 414 Cb 0.22 -4.63 -0.06 0.00 -1.54 0.00 0.00 39.78 33.77 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 -4.32 4.26 0.01 3.52 -0.14 -1.09 -0.96 119.74 121.01 3dk3 s LYS 415 Ca 0.00 0.40 0.06 0.00 -1.36 0.00 0.00 55.97 55.07 3dk3 s LYS 415 Cb 0.00 -3.50 -0.02 0.00 -1.68 0.00 0.00 37.83 32.63 3dk3 s LYS 415 CO 0.00 0.01 -0.19 -0.06 -0.76 0.00 0.00 175.35 174.35 3dk3 s PHE 416 N 1.12 1.71 0.24 3.18 0.40 0.77 -2.95 117.98 122.44 3dk3 s PHE 416 Ca 0.24 -0.34 -0.05 0.00 -0.60 0.00 0.00 56.93 56.19 3dk3 s PHE 416 Cb -0.15 -1.07 0.02 0.00 0.51 0.00 0.00 43.02 42.33 3dk3 s PHE 416 CO 0.10 0.01 0.39 -1.13 0.70 0.00 0.00 175.22 175.29 3dk3 n SER 417 N 2.35 -1.12 0.27 1.36 3.41 -1.26 -0.06 113.62 118.56 3dk3 n SER 417 Ca -0.16 -2.13 0.12 0.00 -0.26 0.00 0.00 58.87 56.45 3dk3 n SER 417 Cb 0.53 1.97 0.78 0.00 -0.26 0.00 0.00 64.21 67.23 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 1.64 0.75 0.00 -1.33 6.09 -1.92 -1.88 117.51 120.86 3dk3 h ILE 418 Ca -0.19 0.00 -0.09 0.00 -1.37 0.00 0.00 64.86 63.21 3dk3 h ILE 418 Cb 0.77 0.98 -0.01 0.00 0.47 0.00 0.00 36.82 39.03 3dk3 h ILE 418 CO 0.25 0.00 -0.45 0.11 -3.07 0.00 0.00 178.15 174.99 3dk3 h LYS 419 N 0.00 0.00 0.00 2.19 1.79 -1.95 -1.70 116.57 116.90 3dk3 h LYS 419 Ca 0.01 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.35 3dk3 h LYS 419 Cb 0.05 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 3dk3 h LYS 419 CO -0.00 0.45 -0.60 0.66 -1.08 0.00 0.00 179.45 178.88 3dk3 h SER 420 N 0.00 0.00 -0.54 0.86 4.64 -1.72 -2.41 113.55 114.38 3dk3 h SER 420 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3dk3 h SER 420 Cb 0.99 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.06 3dk3 h SER 420 CO 0.06 0.60 -0.03 0.44 -0.87 0.00 0.00 176.83 177.03 3dk3 h ASP 421 N 0.00 0.98 -0.49 4.97 3.32 -1.28 -2.39 116.42 121.53 3dk3 h ASP 421 Ca -0.01 -0.29 0.03 0.00 0.02 0.00 0.00 57.03 56.78 3dk3 h ASP 421 Cb 1.20 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 3dk3 h ASP 421 CO 0.08 1.05 0.28 0.58 -1.72 0.00 0.00 179.24 179.52 3dk3 h VAL 422 N 0.91 1.03 -0.30 -1.35 2.07 -1.17 0.11 116.25 117.55 3dk3 h VAL 422 Ca 0.16 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.53 3dk3 h VAL 422 Cb 0.58 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3dk3 h VAL 422 CO 0.03 0.10 0.04 -0.25 0.02 0.00 0.00 177.57 177.51 3dk3 h TRP 423 N 0.56 0.05 -0.66 1.57 2.91 -1.35 -1.96 115.95 117.08 3dk3 h TRP 423 Ca 0.20 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.21 3dk3 h TRP 423 Cb 0.04 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 28.68 3dk3 h TRP 423 CO -0.07 -0.01 0.28 0.00 -1.03 0.00 0.00 178.44 177.61 3dk3 h ALA 424 N 1.23 1.26 -1.01 2.65 0.00 -1.02 -1.98 119.26 120.39 3dk3 h ALA 424 Ca 0.14 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3dk3 h ALA 424 Cb 0.16 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 3dk3 h ALA 424 CO -0.20 0.56 0.66 0.35 0.00 0.00 0.00 179.25 180.61 3dk3 h PHE 425 N 0.94 1.24 -0.53 0.00 3.57 -0.44 0.74 116.94 122.46 3dk3 h PHE 425 Ca 0.23 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.79 3dk3 h PHE 425 Cb 0.15 -0.41 -0.04 0.00 2.79 0.00 0.00 35.95 38.43 3dk3 h PHE 425 CO 0.01 0.72 0.29 0.78 -2.23 0.00 0.00 178.31 177.89 3dk3 h GLY 426 N 1.28 0.75 1.28 2.40 0.00 -0.62 0.16 103.07 108.33 3dk3 h GLY 426 Ca 0.40 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.43 3dk3 h GLY 426 CO -0.12 0.15 -0.04 -2.08 0.00 0.00 0.00 176.54 174.45 3dk3 h VAL 427 N 0.57 1.25 -0.72 4.60 2.07 -1.04 -2.23 116.25 120.75 3dk3 h VAL 427 Ca 0.22 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 3dk3 h VAL 427 Cb 0.09 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3dk3 h VAL 427 CO -0.13 0.39 0.42 0.25 0.02 0.00 0.00 177.57 178.51 3dk3 h LEU 428 N 0.79 0.88 -0.73 2.57 5.85 -0.34 -0.90 115.31 123.43 3dk3 h LEU 428 Ca 0.14 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3dk3 h LEU 428 Cb 0.53 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 3dk3 h LEU 428 CO 0.03 0.70 0.45 -0.07 -0.34 0.00 0.00 178.44 179.21 3dk3 h LEU 429 N 0.99 0.73 -0.80 2.25 3.38 -0.42 -0.40 115.31 121.03 3dk3 h LEU 429 Ca 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3dk3 h LEU 429 Cb -0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3dk3 h LEU 429 CO -0.05 0.50 0.46 -0.25 0.09 0.00 0.00 178.44 179.19 3dk3 h TRP 430 N 0.87 1.08 -0.76 1.13 7.01 -1.05 -0.21 115.95 124.03 3dk3 h TRP 430 Ca 0.30 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.29 3dk3 h TRP 430 Cb 0.05 -0.35 -0.04 0.00 -2.10 0.00 0.00 29.16 26.72 3dk3 h TRP 430 CO -0.04 0.74 0.50 0.93 -2.79 0.00 0.00 178.44 177.78 3dk3 h GLU 431 N 1.10 0.98 -0.19 2.65 5.08 -0.59 -2.29 114.58 121.33 3dk3 h GLU 431 Ca 0.28 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 3dk3 h GLU 431 Cb 0.00 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3dk3 h GLU 431 CO -0.05 0.65 0.00 0.82 -1.00 0.00 0.00 179.01 179.44 3dk3 h ILE 432 N 1.01 1.25 0.00 3.13 2.04 -0.66 0.38 117.51 124.66 3dk3 h ILE 432 Ca 0.28 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 3dk3 h ILE 432 Cb -0.10 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3dk3 h ILE 432 CO -0.07 0.26 -0.14 0.00 0.00 0.00 0.00 178.15 178.20 3dk3 h ALA 433 N 0.79 1.62 -0.42 1.87 0.00 -0.94 -2.29 119.26 119.90 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 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3dk3 h ALA 433 CO 0.01 0.18 0.00 0.25 0.00 0.00 0.00 179.25 179.69 3dk3 n THR 434 N -4.17 0.54 -3.71 0.00 -2.24 -0.87 -4.85 114.28 98.99 3dk3 n THR 434 Ca -0.02 -0.74 -0.25 0.00 -2.27 0.00 0.00 64.05 60.76 3dk3 n THR 434 Cb 0.22 0.85 0.06 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.41 -2.47 -1.24 4.78 4.01 -0.86 -3.65 117.16 119.14 3dk3 n TYR 435 Ca 0.20 0.95 0.00 0.00 -0.16 0.00 0.00 57.90 58.88 3dk3 n TYR 435 Cb 0.58 -4.58 0.00 0.00 -0.31 0.00 0.00 39.34 35.03 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 -1.73 1.02 3.79 2.72 0.00 0.13 -3.28 105.19 107.83 3dk3 n GLY 436 Ca -0.06 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.83 3.47 0.16 1.61 -1.94 -1.24 -4.89 119.30 113.65 3dk3 s MET 437 Ca 0.00 1.46 -0.31 0.00 -1.71 0.00 0.00 55.69 55.13 3dk3 s MET 437 Cb 0.00 -2.04 -0.08 0.00 2.01 0.00 0.00 34.83 34.72 3dk3 s MET 437 CO 0.00 -0.72 1.36 0.45 -0.01 0.00 0.00 175.02 176.10 3dk3 s SER 438 N -2.03 6.84 0.72 3.03 0.15 -1.26 -4.73 113.70 116.43 3dk3 s SER 438 Ca 0.69 2.39 -0.15 0.00 0.70 0.00 0.00 55.95 59.58 3dk3 s SER 438 Cb -0.20 -2.60 0.03 0.00 -1.71 0.00 0.00 66.02 61.54 3dk3 s SER 438 CO 0.27 -0.60 1.22 -2.84 1.20 0.00 0.00 173.24 172.48 3dk3 s PRO 439 N 0.44 2.17 -1.14 5.44 0.02 -1.26 -3.57 135.00 137.10 3dk3 s PRO 439 Ca 0.61 1.81 -0.28 0.00 0.02 0.00 0.00 61.00 63.15 3dk3 s PRO 439 Cb -0.37 -1.83 0.04 0.00 0.02 0.00 0.00 34.50 32.35 3dk3 s PRO 439 CO 0.35 -1.82 0.68 0.66 -0.33 0.00 0.00 177.00 176.53 3dk3 n TYR 440 N -2.62 -1.54 -1.71 6.54 4.02 -1.26 -4.79 117.16 115.81 3dk3 n TYR 440 Ca 0.14 0.22 -0.43 0.00 -0.01 0.00 0.00 57.90 57.82 3dk3 n TYR 440 Cb 0.50 -2.81 -0.03 0.00 -0.02 0.00 0.00 39.34 36.97 3dk3 n TYR 440 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3dk3 n PRO 441 N -4.58 2.63 -0.19 -0.72 -0.04 -1.23 -1.61 135.00 129.26 3dk3 n PRO 441 Ca -0.15 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 3dk3 n PRO 441 Cb 0.59 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 3dk3 n PRO 441 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dk3 n GLY 442 N 3.56 2.46 3.63 0.55 0.00 -1.26 -5.01 105.19 109.12 3dk3 n GLY 442 Ca 0.15 0.00 -0.39 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 -3.13 5.17 0.20 -0.61 -1.09 -0.64 -5.05 121.20 116.06 3dk3 s ILE 443 Ca 0.00 0.65 -0.31 0.00 -2.23 0.00 0.00 60.65 58.76 3dk3 s ILE 443 Cb 0.00 -3.72 -0.10 0.00 -1.58 0.00 0.00 42.46 37.06 3dk3 s ILE 443 CO 0.00 0.18 1.45 -0.62 -1.23 0.00 0.00 174.94 174.73 3dk3 s ASP 444 N 1.40 6.69 0.51 3.58 -1.08 -1.26 -4.90 116.67 121.62 3dk3 s ASP 444 Ca 0.17 2.57 0.33 0.00 -0.52 0.00 0.00 52.55 55.10 3dk3 s ASP 444 Cb -0.15 -2.61 1.46 0.00 -1.46 0.00 0.00 42.92 40.16 3dk3 s ASP 444 CO 0.09 -0.71 1.79 1.55 0.52 0.00 0.00 175.17 178.41 3dk3 h PRO 445 N 5.83 0.08 0.00 4.34 0.13 -1.96 0.11 132.00 140.53 3dk3 h PRO 445 Ca -0.44 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3dk3 h PRO 445 Cb 1.21 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3dk3 h PRO 445 CO 0.83 0.05 0.00 -1.13 -0.23 0.00 0.00 178.00 177.52 3dk3 n SER 446 N -4.28 0.34 -0.33 1.44 3.41 -1.26 -2.38 113.62 110.55 3dk3 n SER 446 Ca 0.26 0.60 0.06 0.00 -0.26 0.00 0.00 58.87 59.54 3dk3 n SER 446 Cb 1.19 -0.67 0.01 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.90 1.64 -0.01 4.33 6.02 0.39 -4.71 117.38 123.15 3dk3 n GLN 447 Ca 0.02 -0.82 -0.12 0.00 -0.01 0.00 0.00 57.00 56.06 3dk3 n GLN 447 Cb 0.14 -1.17 -0.08 0.00 1.02 0.00 0.00 30.24 30.15 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 1.63 1.25 -0.77 5.09 2.07 -1.49 -3.05 116.25 120.98 3dk3 h VAL 448 Ca 0.00 -0.77 0.06 0.00 0.82 0.00 0.00 66.70 66.82 3dk3 h VAL 448 Cb 0.44 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.87 3dk3 h VAL 448 CO 0.00 0.20 0.45 0.22 0.02 0.00 0.00 177.57 178.47 3dk3 h TYR 449 N -0.26 0.83 -0.61 1.57 3.20 -1.84 -1.31 116.97 118.55 3dk3 h TYR 449 Ca 0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3dk3 h TYR 449 Cb 0.33 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 3dk3 h TYR 449 CO 0.03 0.41 0.38 0.93 -1.64 0.00 0.00 178.16 178.27 3dk3 h GLU 450 N 0.82 0.81 -0.29 1.82 5.08 -1.87 -1.35 114.58 119.60 3dk3 h GLU 450 Ca 0.34 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.55 3dk3 h GLU 450 Cb 0.19 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3dk3 h GLU 450 CO -0.18 0.56 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.12 3dk3 h LEU 451 N 0.83 0.67 -0.92 1.33 3.38 -1.22 -3.02 115.31 116.36 3dk3 h LEU 451 Ca 0.22 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3dk3 h LEU 451 Cb -0.06 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3dk3 h LEU 451 CO -0.04 0.96 0.50 -0.07 0.09 0.00 0.00 178.44 179.87 3dk3 h LEU 452 N 0.39 1.13 -0.23 1.67 3.38 -0.72 -0.31 115.31 120.62 3dk3 h LEU 452 Ca 0.06 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3dk3 h LEU 452 Cb 0.73 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3dk3 h LEU 452 CO 0.05 0.90 0.00 -1.84 0.09 0.00 0.00 178.44 177.64 3dk3 n GLU 453 N -4.33 0.24 -0.15 1.13 0.28 -0.56 -1.97 120.64 115.27 3dk3 n GLU 453 Ca 0.10 0.28 0.09 0.00 -0.16 0.00 0.00 57.16 57.47 3dk3 n GLU 453 Cb 0.09 -1.83 0.28 0.00 1.43 0.00 0.00 31.44 31.42 3dk3 n GLU 453 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3dk3 n LYS 454 N -2.26 1.98 -0.87 3.44 4.76 -0.93 -4.94 118.16 119.34 3dk3 n LYS 454 Ca 0.04 -1.49 0.00 0.00 -2.87 0.00 0.00 58.31 53.99 3dk3 n LYS 454 Cb 0.37 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 3dk3 n LYS 454 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3dk3 n ASP 455 N 0.71 -2.60 -4.74 4.39 4.64 -0.83 -5.04 116.55 113.07 3dk3 n ASP 455 Ca 0.16 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 53.16 3dk3 n ASP 455 Cb 0.39 -0.43 -0.03 0.00 -1.04 0.00 0.00 41.12 40.01 3dk3 n ASP 455 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 3dk3 s TYR 456 N -2.00 3.43 0.05 -0.67 5.04 -0.17 -5.00 117.35 118.04 3dk3 s TYR 456 Ca 0.00 1.45 0.01 0.00 -2.44 0.00 0.00 57.07 56.09 3dk3 s TYR 456 Cb 0.00 -3.42 -0.03 0.00 0.35 0.00 0.00 41.96 38.86 3dk3 s TYR 456 CO 0.00 -1.15 -0.05 1.03 -1.34 0.00 0.00 175.55 174.04 3dk3 s ARG 457 N -0.39 0.56 0.34 4.97 1.81 -1.26 -4.15 118.95 120.83 3dk3 s ARG 457 Ca 0.52 -0.96 -0.28 0.00 -1.72 0.00 0.00 55.73 53.28 3dk3 s ARG 457 Cb -0.33 -0.05 -0.12 0.00 -0.45 0.00 0.00 34.95 34.01 3dk3 s ARG 457 CO 0.37 -0.03 1.42 -1.33 -0.68 0.00 0.00 175.30 175.05 3dk3 n MET 458 N 0.84 2.42 -1.71 3.54 2.81 -1.26 -4.99 117.12 118.76 3dk3 n MET 458 Ca -0.19 0.85 -0.30 0.00 -1.81 0.00 0.00 57.70 56.25 3dk3 n MET 458 Cb 0.58 -2.52 0.07 0.00 -0.71 0.00 0.00 33.22 30.63 3dk3 n MET 458 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 3dk3 s GLU 459 N -1.71 2.45 0.09 0.03 -1.05 -1.26 -4.97 118.70 112.29 3dk3 s GLU 459 Ca 0.56 0.55 -0.31 0.00 -0.15 0.00 0.00 54.97 55.63 3dk3 s GLU 459 Cb -0.53 -1.97 -0.10 0.00 -0.44 0.00 0.00 34.13 31.10 3dk3 s GLU 459 CO 0.60 -1.34 1.89 0.50 0.95 0.00 0.00 175.26 177.86 3dk3 s ARG 460 N -5.26 4.14 0.76 -4.83 3.52 -1.26 -4.96 118.95 111.05 3dk3 s ARG 460 Ca 0.60 2.62 -0.15 0.00 -0.13 0.00 0.00 55.73 58.67 3dk3 s ARG 460 Cb -0.13 -3.82 0.05 0.00 -1.56 0.00 0.00 34.95 29.50 3dk3 s ARG 460 CO 0.53 -0.89 1.23 -2.14 -0.81 0.00 0.00 175.30 173.21 3dk3 s PRO 461 N 3.42 1.94 0.16 5.12 0.02 -1.26 -4.93 135.00 139.46 3dk3 s PRO 461 Ca 0.84 1.83 -0.31 0.00 0.02 0.00 0.00 61.00 63.38 3dk3 s PRO 461 Cb -0.45 -1.80 -0.10 0.00 0.02 0.00 0.00 34.50 32.17 3dk3 s PRO 461 CO 0.39 -2.00 1.65 -2.00 -0.33 0.00 0.00 177.00 174.70 3dk3 s GLU 462 N -3.92 4.18 0.00 5.54 2.12 -1.26 -2.36 118.70 123.00 3dk3 s GLU 462 Ca 0.76 2.44 0.00 0.00 0.36 0.00 0.00 54.97 58.53 3dk3 s GLU 462 Cb -0.31 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 30.83 3dk3 s GLU 462 CO 0.47 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 3dk3 n GLY 463 N 3.90 1.79 3.71 -1.50 0.00 -1.26 -4.93 105.19 106.90 3dk3 n GLY 463 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 1.19 3.44 0.27 0.00 0.02 -1.26 -4.88 135.00 133.78 3dk3 s PRO 465 Ca 0.56 2.28 -0.02 0.00 0.02 0.00 0.00 61.00 63.84 3dk3 s PRO 465 Cb -0.26 -2.45 0.41 0.00 0.02 0.00 0.00 34.50 32.22 3dk3 s PRO 465 CO 0.28 -0.97 1.89 0.93 -0.33 0.00 0.00 177.00 178.80 3dk3 h GLU 466 N 1.90 1.14 -0.88 5.54 4.39 -1.99 -1.94 114.58 122.75 3dk3 h GLU 466 Ca -0.51 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.12 3dk3 h GLU 466 Cb 1.28 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 29.63 3dk3 h GLU 466 CO 0.59 0.75 0.53 0.87 -1.16 0.00 0.00 179.01 180.59 3dk3 h LYS 467 N 1.17 1.19 -0.23 2.33 1.57 -1.99 -1.31 116.57 119.31 3dk3 h LYS 467 Ca 0.42 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 58.97 3dk3 h LYS 467 Cb 0.14 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 3dk3 h LYS 467 CO -0.16 0.83 -0.35 0.28 -0.57 0.00 0.00 179.45 179.48 3dk3 h VAL 468 N 1.21 1.32 -0.34 0.50 2.07 -1.78 -2.82 116.25 116.41 3dk3 h VAL 468 Ca 0.31 -1.56 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 3dk3 h VAL 468 Cb -0.05 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3dk3 h VAL 468 CO -0.06 0.49 0.02 0.22 0.02 0.00 0.00 177.57 178.26 3dk3 h TYR 469 N 0.34 0.54 -0.01 1.57 3.20 -1.20 -1.68 116.97 119.73 3dk3 h TYR 469 Ca 0.02 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.76 3dk3 h TYR 469 Cb 0.94 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 3dk3 h TYR 469 CO 0.08 0.52 -0.36 0.93 -1.64 0.00 0.00 178.16 177.69 3dk3 h GLU 470 N 0.51 0.02 -0.20 1.82 5.08 -1.20 -1.33 114.58 119.28 3dk3 h GLU 470 Ca 0.11 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 3dk3 h GLU 470 Cb 0.30 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3dk3 h GLU 470 CO 0.01 0.38 -0.26 -0.07 -1.00 0.00 0.00 179.01 178.07 3dk3 h LEU 471 N 0.02 0.57 -0.30 1.33 3.38 -1.13 -2.31 115.31 116.87 3dk3 h LEU 471 Ca -0.00 -0.51 0.07 0.00 0.09 0.00 0.00 57.88 57.53 3dk3 h LEU 471 Cb 0.65 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.16 3dk3 h LEU 471 CO 0.05 0.97 -0.24 0.24 0.09 0.00 0.00 178.44 179.55 3dk3 h MET 472 N 0.19 -0.20 -0.20 1.13 2.86 -1.04 -1.09 114.93 116.58 3dk3 h MET 472 Ca 0.02 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 3dk3 h MET 472 Cb 0.83 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 3dk3 h MET 472 CO 0.06 -0.14 -0.12 0.00 1.06 0.00 0.00 176.91 177.78 3dk3 h ARG 473 N -0.21 0.32 -0.43 1.72 2.47 -1.28 -1.67 114.38 115.30 3dk3 h ARG 473 Ca 0.16 -0.08 -0.11 0.00 -1.26 0.00 0.00 59.98 58.69 3dk3 h ARG 473 Cb 0.46 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 3dk3 h ARG 473 CO -0.43 0.45 -0.17 0.00 0.56 0.00 0.00 179.97 180.38 3dk3 h ALA 474 N 1.58 0.89 0.00 0.04 0.00 -1.01 -2.29 119.26 118.47 3dk3 h ALA 474 Ca 0.06 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3dk3 h ALA 474 Cb 0.40 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3dk3 h ALA 474 CO 0.02 0.63 -0.14 0.00 0.00 0.00 0.00 179.25 179.76 3dk3 n TRP 476 N -3.68 2.10 -1.81 0.00 8.01 -0.71 -3.72 117.44 117.63 3dk3 n TRP 476 Ca -0.02 -0.76 -0.41 0.00 -1.31 0.00 0.00 57.50 55.00 3dk3 n TRP 476 Cb 0.26 -0.53 -0.01 0.00 -2.01 0.00 0.00 31.31 29.02 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 -2.76 4.13 0.11 -0.99 -1.52 -1.11 -4.92 119.66 112.60 3dk3 s GLN 477 Ca 0.54 2.55 -0.21 0.00 -1.95 0.00 0.00 55.36 56.29 3dk3 s GLN 477 Cb 0.41 -3.01 -0.09 0.00 -0.22 0.00 0.00 33.01 30.10 3dk3 s GLN 477 CO 0.15 -0.57 1.75 2.35 -0.25 0.00 0.00 175.29 178.72 3dk3 h TRP 478 N 4.13 0.09 -3.09 0.91 2.91 -1.92 -3.40 115.95 115.58 3dk3 h TRP 478 Ca -0.48 0.01 -0.57 0.00 1.13 0.00 0.00 58.89 58.97 3dk3 h TRP 478 Cb 1.23 -0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 29.80 3dk3 h TRP 478 CO 0.57 0.05 0.85 1.21 -1.03 0.00 0.00 178.44 180.09 3dk3 s ASN 479 N -5.27 6.98 0.32 2.65 3.84 -1.26 -4.83 114.94 117.36 3dk3 s ASN 479 Ca -0.13 1.37 0.06 0.00 0.21 0.00 0.00 52.86 54.37 3dk3 s ASN 479 Cb 0.08 -2.54 0.74 0.00 -0.55 0.00 0.00 41.25 38.98 3dk3 s ASN 479 CO 0.68 -0.78 1.81 -0.65 -2.79 0.00 0.00 177.10 175.37 3dk3 h PRO 480 N 7.96 0.75 0.00 0.43 0.11 -1.95 -0.66 132.00 138.64 3dk3 h PRO 480 Ca -0.22 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3dk3 h PRO 480 Cb 1.07 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3dk3 h PRO 480 CO 0.99 0.50 0.00 0.66 -0.21 0.00 0.00 178.00 179.94 3dk3 h SER 481 N 0.78 0.00 1.21 -2.05 4.64 -1.94 -2.46 113.55 113.72 3dk3 h SER 481 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3dk3 h SER 481 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3dk3 h SER 481 CO -0.32 0.00 -0.15 0.47 -0.87 0.00 0.00 176.83 175.96 3dk3 n ASP 482 N -2.66 0.61 -4.79 4.97 8.00 -0.25 -4.87 116.55 117.57 3dk3 n ASP 482 Ca 0.01 0.42 -0.36 0.00 0.71 0.00 0.00 54.79 55.57 3dk3 n ASP 482 Cb 0.24 -0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 40.79 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 -3.09 4.40 0.81 -1.24 0.52 -0.93 -4.94 118.95 114.49 3dk3 s ARG 483 Ca 0.10 1.35 -0.11 0.00 -0.52 0.00 0.00 55.73 56.55 3dk3 s ARG 483 Cb 0.14 -2.62 0.08 0.00 0.52 0.00 0.00 34.95 33.07 3dk3 s ARG 483 CO 0.61 0.11 1.11 -1.25 0.02 0.00 0.00 175.30 175.90 3dk3 s PRO 484 N -2.38 1.94 0.70 3.54 0.04 -1.26 -5.03 135.00 132.55 3dk3 s PRO 484 Ca 0.54 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 3dk3 s PRO 484 Cb -0.18 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.52 3dk3 s PRO 484 CO 0.23 -1.90 1.08 -1.54 0.04 0.00 0.00 177.00 174.91 3dk3 s SER 485 N -3.14 5.42 0.42 6.66 1.04 -1.26 -4.94 113.70 117.89 3dk3 s SER 485 Ca 0.63 1.29 0.20 0.00 0.48 0.00 0.00 55.95 58.55 3dk3 s SER 485 Cb -0.19 -2.14 0.90 0.00 0.10 0.00 0.00 66.02 64.69 3dk3 s SER 485 CO 0.56 -1.37 1.85 -0.26 0.98 0.00 0.00 173.24 174.99 3dk3 h PHE 486 N -0.68 0.00 -0.51 5.02 0.04 -1.94 -2.15 116.94 116.73 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 1.24 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.36 3dk3 h PHE 486 CO 0.54 0.30 0.32 0.00 -0.60 0.00 0.00 178.31 178.87 3dk3 h ALA 487 N 1.70 0.65 -0.45 2.45 0.00 -1.89 0.25 119.26 121.96 3dk3 h ALA 487 Ca -0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 3dk3 h ALA 487 Cb 0.69 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3dk3 h ALA 487 CO 0.04 0.12 -0.26 0.93 0.00 0.00 0.00 179.25 180.08 3dk3 h GLU 488 N 0.68 0.96 -0.18 0.00 5.08 -1.87 -2.35 114.58 116.89 3dk3 h GLU 488 Ca 0.18 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 3dk3 h GLU 488 Cb -0.03 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3dk3 h GLU 488 CO -0.04 1.10 0.03 0.82 -1.00 0.00 0.00 179.01 179.91 3dk3 h ILE 489 N 0.82 1.23 -0.71 3.13 2.04 -1.27 -2.35 117.51 120.40 3dk3 h ILE 489 Ca 0.10 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.22 3dk3 h ILE 489 Cb 0.83 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 3dk3 h ILE 489 CO 0.07 0.23 0.46 -0.74 0.00 0.00 0.00 178.15 178.17 3dk3 h HIS 490 N 0.09 0.90 -0.85 1.37 2.76 -0.95 -1.15 115.15 117.32 3dk3 h HIS 490 Ca 0.05 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3dk3 h HIS 490 Cb 0.32 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 28.94 3dk3 h HIS 490 CO 0.02 0.58 0.54 0.37 -1.30 0.00 0.00 177.93 178.14 3dk3 h GLN 491 N 0.96 1.14 -0.29 5.26 5.75 -1.40 0.33 115.11 126.86 3dk3 h GLN 491 Ca 0.26 -0.09 -0.03 0.00 -0.15 0.00 0.00 58.65 58.65 3dk3 h GLN 491 Cb -0.09 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.20 3dk3 h GLN 491 CO -0.05 0.78 0.08 0.00 -2.65 0.00 0.00 178.83 176.98 3dk3 h ALA 492 N 1.30 0.38 -0.18 3.38 0.00 -0.94 -2.16 119.26 121.03 3dk3 h ALA 492 Ca 0.31 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 3dk3 h ALA 492 Cb -0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3dk3 h ALA 492 CO -0.06 0.03 -0.54 0.74 0.00 0.00 0.00 179.25 179.41 3dk3 h PHE 493 N 0.30 0.68 -0.51 0.00 0.04 -1.05 -1.68 116.94 114.72 3dk3 h PHE 493 Ca 0.09 -0.24 -0.00 0.00 2.80 0.00 0.00 57.97 60.62 3dk3 h PHE 493 Cb 0.27 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 3dk3 h PHE 493 CO 0.01 0.96 0.31 1.49 -0.60 0.00 0.00 178.31 180.49 3dk3 h GLU 494 N 0.42 0.68 -0.12 1.51 4.57 -0.92 0.14 114.58 120.87 3dk3 h GLU 494 Ca 0.01 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3dk3 h GLU 494 Cb 1.08 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.52 3dk3 h GLU 494 CO 0.10 0.49 0.06 1.15 -1.18 0.00 0.00 179.01 179.63 3dk3 h THR 495 N 0.68 1.10 -0.72 0.32 2.02 -1.32 -1.16 112.91 113.82 3dk3 h THR 495 Ca 0.18 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 3dk3 h THR 495 Cb -0.03 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 3dk3 h THR 495 CO -0.04 0.09 0.35 0.24 0.37 0.00 0.00 175.52 176.54 3dk3 h MET 496 N 0.08 1.03 -0.24 6.66 2.86 -1.11 -1.42 114.93 122.78 3dk3 h MET 496 Ca 0.04 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 3dk3 h MET 496 Cb 0.09 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3dk3 h MET 496 CO -0.01 0.79 -0.06 0.35 1.06 0.00 0.00 176.91 179.05 3dk3 h PHE 497 N 1.03 0.52 -0.78 -0.22 3.57 -0.60 -1.52 116.94 118.94 3dk3 h PHE 497 Ca 0.25 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3dk3 h PHE 497 Cb 0.10 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 3dk3 h PHE 497 CO 0.01 0.69 0.44 1.96 -2.23 0.00 0.00 178.31 179.18 3dk3 h GLN 498 N 0.21 1.08 -0.06 1.11 7.50 -1.01 -1.70 115.11 122.23 3dk3 h GLN 498 Ca 0.06 -0.12 -0.14 0.00 0.50 0.00 0.00 58.65 58.95 3dk3 h GLN 498 Cb 0.52 -0.22 -0.01 0.00 0.05 0.00 0.00 27.48 27.82 3dk3 h GLN 498 CO 0.02 0.79 -0.59 0.93 -1.50 0.00 0.00 178.83 178.49 3dk3 h GLU 499 N 1.08 0.20 -0.11 1.46 5.08 -1.26 -2.25 114.58 118.79 3dk3 h GLU 499 Ca 0.28 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 3dk3 h GLU 499 Cb 0.02 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3dk3 h GLU 499 CO -0.05 0.73 -0.42 1.03 -1.00 0.00 0.00 179.01 179.31 3dk3 h SER 500 N 0.15 0.26 -0.06 1.42 0.87 -0.98 -2.98 113.55 112.23 3dk3 h SER 500 Ca -0.00 -0.11 -0.19 0.00 -1.23 0.00 0.00 61.79 60.25 3dk3 h SER 500 Cb 1.08 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 3dk3 h SER 500 CO 0.09 0.66 -0.67 0.28 -0.53 0.00 0.00 176.83 176.66 3dk3 h SER 501 N 0.21 0.79 -0.01 6.23 0.02 -1.17 -3.49 113.55 116.13 3dk3 h SER 501 Ca 0.02 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3dk3 h SER 501 Cb 0.83 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3dk3 h SER 501 CO 0.07 1.25 0.00 -0.38 -1.14 0.00 0.00 176.83 176.63