#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fy0 h ASP 250 N 0.00 0.19 0.31 4.04 3.32 -2.03 -1.66 116.42 120.58 3fy0 h ASP 250 Ca 0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3fy0 h ASP 250 Cb 0.00 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3fy0 h ASP 250 CO 0.00 0.18 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.22 3fy0 h GLU 251 N 0.21 -0.40 -0.46 3.56 3.07 -2.05 -2.02 114.58 116.48 3fy0 h GLU 251 Ca 0.05 0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.87 3fy0 h GLU 251 Cb 0.06 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 3fy0 h GLU 251 CO -0.01 -0.07 0.01 1.49 -1.40 0.00 0.00 179.01 179.04 3fy0 h GLU 252 N -0.77 0.75 -0.08 2.33 4.81 -1.95 -1.51 114.58 118.16 3fy0 h GLU 252 Ca -0.04 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.04 3fy0 h GLU 252 Cb 0.51 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.74 3fy0 h GLU 252 CO 0.07 0.76 -0.23 0.82 -0.73 0.00 0.00 179.01 179.69 3fy0 h ILE 253 N 0.71 0.45 -0.92 2.32 2.04 -1.34 0.12 117.51 120.90 3fy0 h ILE 253 Ca 0.14 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 3fy0 h ILE 253 Cb 0.42 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 3fy0 h ILE 253 CO 0.02 0.00 0.51 -0.07 0.00 0.00 0.00 178.15 178.61 3fy0 h LEU 254 N -0.32 1.14 -0.51 1.44 3.38 -0.89 -1.16 115.31 118.38 3fy0 h LEU 254 Ca 0.09 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3fy0 h LEU 254 Cb 0.44 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3fy0 h LEU 254 CO -0.27 0.90 -0.02 -0.33 0.09 0.00 0.00 178.44 178.81 3fy0 h GLU 255 N 1.28 0.92 -0.55 1.13 4.39 -0.98 -0.62 114.58 120.15 3fy0 h GLU 255 Ca 0.32 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 3fy0 h GLU 255 Cb 0.01 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 3fy0 h GLU 255 CO -0.05 0.96 0.19 -0.22 -1.16 0.00 0.00 179.01 178.73 3fy0 h LYS 256 N 0.79 0.85 -0.38 2.33 1.63 -0.47 -1.89 116.57 119.43 3fy0 h LYS 256 Ca 0.14 -0.17 -0.12 0.00 -0.85 0.00 0.00 60.65 59.65 3fy0 h LYS 256 Cb 0.56 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 3fy0 h LYS 256 CO 0.03 0.76 -0.25 -0.07 -3.45 0.00 0.00 179.45 176.47 3fy0 h LEU 257 N 0.77 0.80 -0.80 5.20 3.38 -1.07 -2.63 115.31 120.96 3fy0 h LEU 257 Ca 0.18 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.93 3fy0 h LEU 257 Cb 0.25 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 3fy0 h LEU 257 CO -0.01 1.01 0.46 0.03 0.09 0.00 0.00 178.44 180.03 3fy0 h ARG 258 N 0.67 0.79 -0.08 1.13 3.08 -0.90 0.18 114.38 119.24 3fy0 h ARG 258 Ca 0.09 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3fy0 h ARG 258 Cb 0.77 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 3fy0 h ARG 258 CO 0.06 0.52 -0.03 0.66 -1.07 0.00 0.00 179.97 180.11 3fy0 h SER 259 N 0.81 0.11 0.16 7.04 4.64 -0.99 -3.24 113.55 122.07 3fy0 h SER 259 Ca 0.37 -0.01 -0.29 0.00 -0.47 0.00 0.00 61.79 61.38 3fy0 h SER 259 Cb 0.27 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3fy0 h SER 259 CO -0.21 0.16 -1.43 0.40 -0.87 0.00 0.00 176.83 174.88 3fy0 h ILE 260 N 0.12 1.12 -4.14 0.95 2.04 -0.82 -3.47 117.51 113.30 3fy0 h ILE 260 Ca 0.03 -2.50 -0.51 0.00 1.00 0.00 0.00 64.86 62.87 3fy0 h ILE 260 Cb 0.14 2.86 0.10 0.00 -0.74 0.00 0.00 36.82 39.18 3fy0 h ILE 260 CO 0.01 0.77 0.42 0.68 0.00 0.00 0.00 178.15 180.02 3fy0 s VAL 261 N -2.52 2.95 0.62 1.67 -7.23 0.47 -4.87 120.40 111.49 3fy0 s VAL 261 Ca -0.16 0.52 -0.18 0.00 -1.81 0.00 0.00 61.98 60.35 3fy0 s VAL 261 Cb 0.04 -3.12 -0.02 0.00 0.56 0.00 0.00 36.38 33.84 3fy0 s VAL 261 CO 0.83 -0.19 1.23 -0.44 -0.31 0.00 0.00 175.10 176.22 3fy0 s SER 262 N -2.03 4.94 0.58 4.85 0.01 0.94 -4.96 113.70 118.04 3fy0 s SER 262 Ca 0.72 2.46 -0.17 0.00 1.31 0.00 0.00 55.95 60.27 3fy0 s SER 262 Cb -0.25 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.34 3fy0 s SER 262 CO 0.35 -1.77 1.07 0.68 0.41 0.00 0.00 173.24 173.99 3fy0 s VAL 263 N -1.56 3.61 0.00 3.43 -7.23 -1.26 -4.41 120.40 112.98 3fy0 s VAL 263 Ca 0.79 0.83 0.00 0.00 -1.81 0.00 0.00 61.98 61.78 3fy0 s VAL 263 Cb -0.32 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.29 3fy0 s VAL 263 CO 0.36 -0.39 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 3fy0 n GLY 264 N -0.63 -0.70 3.68 2.32 0.00 -1.26 -4.91 105.19 103.69 3fy0 n GLY 264 Ca 0.09 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 3fy0 n GLY 264 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fy0 s ASP 265 N -4.00 5.21 0.51 1.61 2.15 -1.26 -4.47 116.67 116.41 3fy0 s ASP 265 Ca 0.00 0.13 0.26 0.00 0.43 0.00 0.00 52.55 53.37 3fy0 s ASP 265 Cb 0.00 -1.45 1.37 0.00 -0.30 0.00 0.00 42.92 42.53 3fy0 s ASP 265 CO 0.00 0.37 2.04 1.55 -0.17 0.00 0.00 175.17 178.97 3fy0 h PRO 266 N 5.12 0.00 0.00 4.34 0.13 -1.96 -2.87 132.00 136.76 3fy0 h PRO 266 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3fy0 h PRO 266 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3fy0 h PRO 266 CO 0.54 0.14 0.00 1.63 -0.23 0.00 0.00 178.00 180.08 3fy0 n LYS 267 N -3.67 0.17 0.16 0.86 5.02 -1.26 -1.37 118.16 118.07 3fy0 n LYS 267 Ca -0.02 0.17 0.07 0.00 -2.02 0.00 0.00 58.31 56.51 3fy0 n LYS 267 Cb 0.26 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.84 3fy0 n LYS 267 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3fy0 h LYS 268 N 0.00 0.00 0.00 1.97 3.64 -1.94 -3.37 116.57 116.87 3fy0 h LYS 268 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3fy0 h LYS 268 Cb 0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3fy0 h LYS 268 CO 0.00 0.25 -0.98 1.17 -2.27 0.00 0.00 179.45 177.62 3fy0 n LYS 269 N -3.11 1.39 -4.35 1.90 4.81 -0.47 -5.02 118.16 113.31 3fy0 n LYS 269 Ca 0.02 -0.03 -0.19 0.00 -0.87 0.00 0.00 58.31 57.24 3fy0 n LYS 269 Cb 0.65 -1.02 -0.15 0.00 0.02 0.00 0.00 35.03 34.53 3fy0 n LYS 269 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3fy0 s TYR 270 N -2.11 0.79 0.00 5.64 1.51 -0.53 -1.94 117.35 120.71 3fy0 s TYR 270 Ca -0.01 -0.16 0.00 0.00 -1.01 0.00 0.00 57.07 55.90 3fy0 s TYR 270 Cb 0.03 -0.52 0.00 0.00 -0.11 0.00 0.00 41.96 41.36 3fy0 s TYR 270 CO 0.19 -0.03 0.00 0.25 -1.11 0.00 0.00 175.55 174.85 3fy0 n THR 271 N 2.94 0.00 -2.09 -0.71 -2.24 -1.03 -4.34 114.28 106.81 3fy0 n THR 271 Ca -0.14 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 3fy0 n THR 271 Cb 0.57 -0.94 -0.00 0.00 -2.10 0.00 0.00 70.33 67.86 3fy0 n THR 271 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3fy0 n ARG 272 N -2.66 4.35 -2.12 -0.78 0.63 -1.26 -4.90 116.66 109.91 3fy0 n ARG 272 Ca 0.00 -3.49 -0.42 0.00 -0.92 0.00 0.00 57.85 53.02 3fy0 n ARG 272 Cb 0.41 -2.71 -0.03 0.00 0.45 0.00 0.00 32.46 30.59 3fy0 n ARG 272 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3fy0 s PHE 273 N -0.77 2.21 -0.09 -0.14 0.40 -1.25 -3.77 117.98 114.56 3fy0 s PHE 273 Ca 0.50 0.43 -0.02 0.00 -0.60 0.00 0.00 56.93 57.23 3fy0 s PHE 273 Cb 0.16 -3.81 0.04 0.00 0.51 0.00 0.00 43.02 39.91 3fy0 s PHE 273 CO -0.07 -3.24 0.03 -2.00 0.70 0.00 0.00 175.22 170.65 3fy0 s GLU 274 N 3.95 0.36 0.30 0.44 2.12 -0.63 -4.97 118.70 120.26 3fy0 s GLU 274 Ca 0.68 0.08 -0.29 0.00 0.36 0.00 0.00 54.97 55.80 3fy0 s GLU 274 Cb -0.30 -1.13 -0.10 0.00 0.26 0.00 0.00 34.13 32.86 3fy0 s GLU 274 CO 0.26 -0.41 1.39 0.21 -0.54 0.00 0.00 175.26 176.17 3fy0 s LYS 275 N 2.03 4.29 0.00 4.30 2.20 -1.26 -0.35 119.74 130.94 3fy0 s LYS 275 Ca 0.04 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 57.94 3fy0 s LYS 275 Cb -0.13 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 3fy0 s LYS 275 CO -0.06 -0.34 0.00 0.44 -0.36 0.00 0.00 175.35 175.04 3fy0 n ILE 276 N 1.47 0.00 -3.93 5.43 -5.35 0.41 -4.87 119.36 112.52 3fy0 n ILE 276 Ca 0.03 -0.02 -0.09 0.00 -0.27 0.00 0.00 62.75 62.40 3fy0 n ILE 276 Cb 0.41 0.33 -0.06 0.00 -1.74 0.00 0.00 39.64 38.58 3fy0 n ILE 276 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fy0 s GLY 277 N -1.12 0.40 -0.01 3.28 0.00 -1.11 -4.97 107.32 103.79 3fy0 s GLY 277 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.97 3fy0 s GLY 277 CO 0.00 -0.62 0.01 1.62 0.00 0.00 0.00 173.10 174.11 3fy0 s GLN 278 N -3.97 0.04 0.20 2.90 0.74 -1.26 -1.76 119.66 116.55 3fy0 s GLN 278 Ca 0.18 0.06 0.00 0.00 0.05 0.00 0.00 55.36 55.66 3fy0 s GLN 278 Cb 0.01 -0.16 -0.04 0.00 1.10 0.00 0.00 33.01 33.91 3fy0 s GLN 278 CO 0.04 -0.07 0.37 0.20 -0.55 0.00 0.00 175.29 175.29 3fy0 s GLY 279 N 0.47 1.72 0.00 2.59 0.00 -1.06 -4.84 107.32 106.19 3fy0 s GLY 279 Ca -0.04 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.78 3fy0 s GLY 279 CO -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 173.10 172.22 3fy0 n ALA 280 N -0.74 0.00 0.22 3.20 0.00 -1.26 -4.82 120.51 117.11 3fy0 n ALA 280 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 3fy0 n ALA 280 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 3fy0 n ALA 280 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3fy0 h SER 281 N 9.34 -0.42 -5.56 0.00 0.87 -1.97 -3.48 113.55 112.33 3fy0 h SER 281 Ca 0.00 0.02 0.27 0.00 -1.23 0.00 0.00 61.79 60.85 3fy0 h SER 281 Cb 0.00 0.11 -0.11 0.00 -0.44 0.00 0.00 62.40 61.96 3fy0 h SER 281 CO 0.00 -0.30 0.70 -0.83 -0.53 0.00 0.00 176.83 175.87 3fy0 s GLY 282 N -2.12 -0.35 -0.04 5.77 0.00 -1.26 -4.66 107.32 104.66 3fy0 s GLY 282 Ca -0.16 0.53 -0.30 0.00 0.00 0.00 0.00 44.72 44.79 3fy0 s GLY 282 CO 0.64 0.09 1.58 -1.59 0.00 0.00 0.00 173.10 173.82 3fy0 s THR 283 N -2.73 3.59 -0.12 0.90 2.01 -1.06 -2.58 115.64 115.65 3fy0 s THR 283 Ca 0.13 0.81 -0.07 0.00 0.31 0.00 0.00 61.69 62.87 3fy0 s THR 283 Cb 0.02 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 3fy0 s THR 283 CO -0.02 -0.05 0.13 -0.69 -0.69 0.00 0.00 174.62 173.30 3fy0 s VAL 284 N 3.56 5.45 0.28 3.82 1.01 -0.72 -0.96 120.40 132.82 3fy0 s VAL 284 Ca 0.70 0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.93 3fy0 s VAL 284 Cb -0.33 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 3fy0 s VAL 284 CO 0.28 0.62 -0.06 -0.31 0.00 0.00 0.00 175.10 175.63 3fy0 s TYR 285 N -0.99 1.92 0.24 5.22 1.51 0.06 -0.44 117.35 124.87 3fy0 s TYR 285 Ca 0.15 -0.71 0.07 0.00 -1.01 0.00 0.00 57.07 55.57 3fy0 s TYR 285 Cb -0.12 -1.10 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 3fy0 s TYR 285 CO 0.04 0.26 0.14 0.95 -1.11 0.00 0.00 175.55 175.83 3fy0 s THR 286 N -3.04 4.22 0.08 -0.71 -4.23 0.52 -1.54 115.64 110.95 3fy0 s THR 286 Ca 0.29 -1.47 -0.26 0.00 -1.18 0.00 0.00 61.69 59.07 3fy0 s THR 286 Cb 0.04 -3.26 0.09 0.00 1.34 0.00 0.00 72.50 70.71 3fy0 s THR 286 CO 0.12 -0.32 1.14 0.00 -0.54 0.00 0.00 174.62 175.01 3fy0 s ALA 287 N -2.12 -1.95 -0.08 3.99 0.00 -0.71 -1.60 121.76 119.29 3fy0 s ALA 287 Ca 0.32 0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.45 3fy0 s ALA 287 Cb -0.08 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.69 3fy0 s ALA 287 CO 0.23 -1.07 -0.22 -1.64 0.00 0.00 0.00 175.76 173.06 3fy0 s MET 288 N -2.46 2.66 -0.37 0.00 -1.94 -1.26 0.10 119.30 116.03 3fy0 s MET 288 Ca 0.19 -0.79 -0.28 0.00 -1.71 0.00 0.00 55.69 53.10 3fy0 s MET 288 Cb 0.00 -2.08 -0.03 0.00 2.01 0.00 0.00 34.83 34.73 3fy0 s MET 288 CO 0.01 0.19 1.90 0.34 -0.01 0.00 0.00 175.02 177.45 3fy0 s ASP 289 N 0.28 5.65 0.22 3.03 -1.08 -0.41 -2.47 116.67 121.89 3fy0 s ASP 289 Ca -0.15 1.22 -0.07 0.00 -0.52 0.00 0.00 52.55 53.03 3fy0 s ASP 289 Cb -0.16 -2.52 0.17 0.00 -1.46 0.00 0.00 42.92 38.95 3fy0 s ASP 289 CO 0.07 -1.92 1.73 0.58 0.52 0.00 0.00 175.17 176.15 3fy0 h VAL 290 N 6.92 1.26 -0.30 1.11 2.07 -1.72 1.00 116.25 126.59 3fy0 h VAL 290 Ca -0.33 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 66.30 3fy0 h VAL 290 Cb 1.18 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 3fy0 h VAL 290 CO 1.06 0.37 -0.21 0.00 0.02 0.00 0.00 177.57 178.80 3fy0 h ALA 291 N 1.14 -0.03 0.00 1.67 0.00 -1.90 -3.31 119.26 116.83 3fy0 h ALA 291 Ca 0.21 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 3fy0 h ALA 291 Cb 0.38 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3fy0 h ALA 291 CO 0.00 -0.62 -2.03 0.25 0.00 0.00 0.00 179.25 176.85 3fy0 n THR 292 N -5.37 0.33 -1.03 0.00 -2.24 -0.92 -5.00 114.28 100.05 3fy0 n THR 292 Ca 0.00 -0.56 -0.01 0.00 -2.27 0.00 0.00 64.05 61.22 3fy0 n THR 292 Cb 0.28 -0.10 -0.00 0.00 -2.10 0.00 0.00 70.33 68.40 3fy0 n THR 292 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fy0 n GLY 293 N 1.46 0.48 3.69 3.38 0.00 0.34 -5.01 105.19 109.53 3fy0 n GLY 293 Ca -0.11 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3fy0 n GLY 293 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3fy0 s GLN 294 N -0.89 4.27 0.14 1.61 0.74 -1.24 -4.82 119.66 119.45 3fy0 s GLN 294 Ca 0.00 2.08 -0.30 0.00 0.05 0.00 0.00 55.36 57.19 3fy0 s GLN 294 Cb 0.00 -3.52 -0.07 0.00 1.10 0.00 0.00 33.01 30.52 3fy0 s GLN 294 CO 0.00 -0.59 1.18 -2.00 -0.55 0.00 0.00 175.29 173.33 3fy0 s GLU 295 N 2.22 4.49 0.25 1.67 2.12 -1.26 -1.28 118.70 126.90 3fy0 s GLU 295 Ca 0.67 1.81 0.06 0.00 0.36 0.00 0.00 54.97 57.87 3fy0 s GLU 295 Cb -0.35 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 30.70 3fy0 s GLU 295 CO 0.29 -0.13 -0.06 0.14 -0.54 0.00 0.00 175.26 174.96 3fy0 s VAL 296 N 0.34 1.47 -0.16 3.70 -7.23 0.28 -3.89 120.40 114.91 3fy0 s VAL 296 Ca 0.55 -2.11 -0.02 0.00 -1.81 0.00 0.00 61.98 58.59 3fy0 s VAL 296 Cb -0.31 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 3fy0 s VAL 296 CO 0.33 -0.38 -0.10 0.00 -0.31 0.00 0.00 175.10 174.64 3fy0 s ALA 297 N -3.13 2.70 -0.11 1.32 0.00 0.10 -1.73 121.76 120.91 3fy0 s ALA 297 Ca 0.27 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.28 3fy0 s ALA 297 Cb 0.03 -1.40 -0.00 0.00 0.00 0.00 0.00 23.12 21.76 3fy0 s ALA 297 CO 0.09 -0.00 -0.23 0.42 0.00 0.00 0.00 175.76 176.05 3fy0 s ILE 298 N 0.76 2.17 -0.18 0.00 1.01 -0.59 0.87 121.20 125.23 3fy0 s ILE 298 Ca -0.04 -0.98 -0.14 0.00 0.00 0.00 0.00 60.65 59.49 3fy0 s ILE 298 Cb -0.15 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 3fy0 s ILE 298 CO 0.02 0.56 0.30 -0.13 0.00 0.00 0.00 174.94 175.68 3fy0 s ARG 299 N 0.38 4.21 -0.21 2.79 0.52 -0.06 -0.76 118.95 125.82 3fy0 s ARG 299 Ca -0.17 0.06 -0.06 0.00 -0.52 0.00 0.00 55.73 55.04 3fy0 s ARG 299 Cb -0.18 -3.47 -0.03 0.00 0.52 0.00 0.00 34.95 31.79 3fy0 s ARG 299 CO 0.08 0.14 0.03 -1.14 0.02 0.00 0.00 175.30 174.43 3fy0 s GLN 300 N 0.78 3.71 -0.09 3.54 0.74 -0.14 -1.63 119.66 126.57 3fy0 s GLN 300 Ca 0.16 -0.47 0.02 0.00 0.05 0.00 0.00 55.36 55.12 3fy0 s GLN 300 Cb -0.13 -3.16 0.01 0.00 1.10 0.00 0.00 33.01 30.82 3fy0 s GLN 300 CO 0.05 0.03 -0.15 -1.64 -0.55 0.00 0.00 175.29 173.03 3fy0 s MET 301 N 1.00 2.06 -0.41 1.67 -1.94 0.31 -2.57 119.30 119.41 3fy0 s MET 301 Ca 0.03 -0.52 -0.25 0.00 -1.71 0.00 0.00 55.69 53.24 3fy0 s MET 301 Cb -0.14 -1.71 0.02 0.00 2.01 0.00 0.00 34.83 35.01 3fy0 s MET 301 CO 0.02 -0.00 0.90 1.21 -0.01 0.00 0.00 175.02 177.14 3fy0 s ASN 302 N 0.80 6.56 0.35 3.03 2.47 -1.26 -0.86 114.94 126.04 3fy0 s ASN 302 Ca -0.11 0.30 0.10 0.00 0.42 0.00 0.00 52.86 53.57 3fy0 s ASN 302 Cb -0.16 -2.44 0.66 0.00 -1.45 0.00 0.00 41.25 37.86 3fy0 s ASN 302 CO 0.02 -0.93 1.81 -0.07 -3.72 0.00 0.00 177.10 174.21 3fy0 h LEU 303 N 10.25 0.11 -1.71 3.21 3.38 -1.34 -2.57 115.31 126.64 3fy0 h LEU 303 Ca -0.24 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3fy0 h LEU 303 Cb 1.08 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3fy0 h LEU 303 CO 0.99 0.44 0.00 1.56 0.09 0.00 0.00 178.44 181.52 3fy0 h GLN 304 N 0.10 0.00 -0.01 1.13 4.20 -1.93 -2.35 115.11 116.25 3fy0 h GLN 304 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3fy0 h GLN 304 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3fy0 h GLN 304 CO 0.05 0.00 -0.15 0.00 -0.67 0.00 0.00 178.83 178.06 3fy0 n GLN 305 N -2.74 1.58 -2.85 1.46 10.64 -1.00 -4.96 117.38 119.51 3fy0 n GLN 305 Ca -0.00 -0.79 -0.42 0.00 -1.83 0.00 0.00 57.00 53.96 3fy0 n GLN 305 Cb 0.17 -1.13 -0.04 0.00 -0.86 0.00 0.00 30.24 28.38 3fy0 n GLN 305 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 3fy0 s GLN 306 N -1.24 4.01 0.16 2.61 2.00 -0.89 -4.97 119.66 121.35 3fy0 s GLN 306 Ca 0.10 0.77 -0.11 0.00 -2.00 0.00 0.00 55.36 54.11 3fy0 s GLN 306 Cb 0.09 -3.72 0.05 0.00 0.80 0.00 0.00 33.01 30.22 3fy0 s GLN 306 CO 0.22 -0.72 1.65 -1.00 -0.50 0.00 0.00 175.29 174.94 3fy0 h PRO 307 N 8.05 0.93 -2.97 1.67 0.13 -1.93 -3.39 132.00 134.49 3fy0 h PRO 307 Ca -0.23 -0.26 -0.62 0.00 -0.87 0.00 0.00 66.00 64.03 3fy0 h PRO 307 Cb 1.09 -0.10 -0.41 0.00 0.13 0.00 0.00 31.00 31.70 3fy0 h PRO 307 CO 0.92 0.90 -0.67 0.15 -0.23 0.00 0.00 178.00 179.08 3fy0 s LYS 308 N -5.17 2.01 0.19 0.86 1.02 -1.26 -4.96 119.74 112.43 3fy0 s LYS 308 Ca -0.12 -2.91 -0.02 0.00 0.02 0.00 0.00 55.97 52.93 3fy0 s LYS 308 Cb 0.12 -2.93 0.10 0.00 -0.52 0.00 0.00 37.83 34.61 3fy0 s LYS 308 CO 0.82 -1.28 1.48 1.57 -0.92 0.00 0.00 175.35 177.03 3fy0 h LYS 309 N 5.68 0.47 -1.27 1.68 5.09 -1.95 -2.36 116.57 123.91 3fy0 h LYS 309 Ca 0.13 -0.33 0.37 0.00 0.09 0.00 0.00 60.65 60.91 3fy0 h LYS 309 Cb 0.81 0.05 -0.08 0.00 0.10 0.00 0.00 32.23 33.11 3fy0 h LYS 309 CO 0.63 0.95 0.87 1.05 -2.09 0.00 0.00 179.45 180.86 3fy0 h GLU 310 N 0.35 0.13 -0.01 0.07 9.09 -1.97 -1.55 114.58 120.68 3fy0 h GLU 310 Ca -0.01 -0.01 -0.17 0.00 0.05 0.00 0.00 59.36 59.22 3fy0 h GLU 310 Cb 1.18 -0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 28.23 3fy0 h GLU 310 CO 0.11 0.09 -0.78 -0.07 0.05 0.00 0.00 179.01 178.41 3fy0 h LEU 311 N 0.13 0.17 -0.15 3.06 3.38 -1.81 -1.36 115.31 118.74 3fy0 h LEU 311 Ca 0.68 -0.13 -0.19 0.00 0.09 0.00 0.00 57.88 58.33 3fy0 h LEU 311 Cb 2.31 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 43.02 3fy0 h LEU 311 CO -0.19 0.88 -0.66 -0.29 0.09 0.00 0.00 178.44 178.28 3fy0 h ILE 312 N 0.08 1.31 0.18 1.22 6.09 -1.39 0.49 117.51 125.49 3fy0 h ILE 312 Ca -0.02 -1.89 0.01 0.00 -1.37 0.00 0.00 64.86 61.58 3fy0 h ILE 312 Cb 1.37 2.03 -0.03 0.00 0.47 0.00 0.00 36.82 40.66 3fy0 h ILE 312 CO 0.11 0.59 -0.27 0.40 -3.07 0.00 0.00 178.15 175.91 3fy0 h ILE 313 N 0.39 0.41 -0.65 2.19 2.04 -1.44 -1.47 117.51 118.98 3fy0 h ILE 313 Ca -0.04 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.91 3fy0 h ILE 313 Cb 1.29 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 3fy0 h ILE 313 CO 0.14 0.00 0.28 -1.13 0.00 0.00 0.00 178.15 177.43 3fy0 h ASN 314 N -0.53 0.31 -0.15 1.72 -0.73 -1.29 -1.65 115.58 113.27 3fy0 h ASN 314 Ca 0.01 0.07 0.03 0.00 1.87 0.00 0.00 56.30 58.29 3fy0 h ASN 314 Cb 0.52 0.03 -0.03 0.00 0.27 0.00 0.00 38.32 39.11 3fy0 h ASN 314 CO -0.12 0.18 -0.06 -0.08 -0.37 0.00 0.00 177.43 176.98 3fy0 h GLU 315 N 0.48 -0.04 -0.13 6.67 4.81 -0.08 -1.29 114.58 125.00 3fy0 h GLU 315 Ca 0.32 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 3fy0 h GLU 315 Cb 0.38 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3fy0 h GLU 315 CO -0.29 -0.03 0.02 0.82 -0.73 0.00 0.00 179.01 178.80 3fy0 h ILE 316 N -0.04 1.22 -0.61 2.32 2.04 -1.10 -1.64 117.51 119.70 3fy0 h ILE 316 Ca 0.08 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.31 3fy0 h ILE 316 Cb 0.16 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 3fy0 h ILE 316 CO -0.18 0.20 0.31 -0.07 0.00 0.00 0.00 178.15 178.41 3fy0 h LEU 317 N -0.00 0.42 -0.22 1.44 3.38 -1.15 0.11 115.31 119.29 3fy0 h LEU 317 Ca 0.04 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3fy0 h LEU 317 Cb 0.30 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3fy0 h LEU 317 CO 0.00 0.27 -0.12 0.58 0.09 0.00 0.00 178.44 179.27 3fy0 h VAL 318 N 0.57 1.31 -0.41 1.22 2.07 -1.16 -2.85 116.25 116.99 3fy0 h VAL 318 Ca 0.28 -1.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 3fy0 h VAL 318 Cb 0.22 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3fy0 h VAL 318 CO -0.20 0.37 0.03 0.24 0.02 0.00 0.00 177.57 178.02 3fy0 h MET 319 N 0.17 0.71 -0.80 1.57 2.86 -1.06 -2.23 114.93 116.16 3fy0 h MET 319 Ca 0.05 -0.21 0.07 0.00 -2.06 0.00 0.00 59.70 57.54 3fy0 h MET 319 Cb 0.62 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.15 3fy0 h MET 319 CO 0.03 0.78 0.52 -0.09 1.06 0.00 0.00 176.91 179.22 3fy0 h ARG 320 N 0.55 0.82 -0.18 1.72 2.43 -0.80 -1.03 114.38 117.89 3fy0 h ARG 320 Ca 0.12 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3fy0 h ARG 320 Cb 0.44 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3fy0 h ARG 320 CO 0.02 0.54 0.00 0.39 -1.51 0.00 0.00 179.97 179.41 3fy0 n GLU 321 N -4.49 1.81 -2.72 0.20 -0.58 -1.00 -4.39 120.64 109.47 3fy0 n GLU 321 Ca 0.12 -1.22 -0.06 0.00 -0.42 0.00 0.00 57.16 55.58 3fy0 n GLU 321 Cb 0.24 -1.41 0.04 0.00 -0.57 0.00 0.00 31.44 29.73 3fy0 n GLU 321 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3fy0 n ASN 322 N 0.45 1.50 -4.73 1.62 3.02 -0.40 -5.07 115.26 111.64 3fy0 n ASN 322 Ca 0.16 -2.49 -0.41 0.00 -0.03 0.00 0.00 54.58 51.82 3fy0 n ASN 322 Cb 0.36 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 38.99 3fy0 n ASN 322 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3fy0 s LYS 323 N -3.35 4.46 -0.13 3.52 1.02 -1.19 -4.89 119.74 119.18 3fy0 s LYS 323 Ca 0.27 1.88 -0.12 0.00 0.02 0.00 0.00 55.97 58.02 3fy0 s LYS 323 Cb 0.41 -3.26 0.03 0.00 -0.52 0.00 0.00 37.83 34.50 3fy0 s LYS 323 CO 0.01 -0.16 0.35 1.21 -0.92 0.00 0.00 175.35 175.85 3fy0 s ASN 324 N 0.38 -0.37 0.53 2.83 3.84 -1.26 -5.05 114.94 115.85 3fy0 s ASN 324 Ca 0.55 0.70 0.32 0.00 0.21 0.00 0.00 52.86 54.64 3fy0 s ASN 324 Cb -0.33 0.71 1.48 0.00 -0.55 0.00 0.00 41.25 42.56 3fy0 s ASN 324 CO 0.35 -0.12 1.88 -0.65 -2.79 0.00 0.00 177.10 175.76 3fy0 h PRO 325 N 5.67 0.02 -0.70 0.43 0.11 -1.99 -1.16 132.00 134.39 3fy0 h PRO 325 Ca -0.27 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.76 3fy0 h PRO 325 Cb 1.19 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 3fy0 h PRO 325 CO 0.29 0.01 0.10 0.09 -0.21 0.00 0.00 178.00 178.28 3fy0 n ASN 326 N -4.27 4.94 -4.13 -2.05 4.13 -1.26 -4.85 115.26 107.78 3fy0 n ASN 326 Ca 0.19 -2.93 -0.25 0.00 1.68 0.00 0.00 54.58 53.28 3fy0 n ASN 326 Cb 0.99 -0.69 -0.16 0.00 -1.54 0.00 0.00 39.78 38.38 3fy0 n ASN 326 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3fy0 s ILE 327 N -2.62 1.33 -0.76 2.41 1.01 -0.44 -1.04 121.20 121.08 3fy0 s ILE 327 Ca 0.49 -0.68 -0.26 0.00 0.00 0.00 0.00 60.65 60.20 3fy0 s ILE 327 Cb 0.38 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.71 3fy0 s ILE 327 CO 0.13 0.38 1.71 -0.69 0.00 0.00 0.00 174.94 176.47 3fy0 s VAL 328 N -0.12 3.52 0.51 2.92 1.01 0.18 -4.68 120.40 123.75 3fy0 s VAL 328 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.79 3fy0 s VAL 328 Cb -0.09 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 31.92 3fy0 s VAL 328 CO 0.01 -1.24 1.03 0.20 0.00 0.00 0.00 175.10 175.10 3fy0 s ASN 329 N 6.79 6.24 0.18 3.32 0.01 -1.26 -4.76 114.94 125.46 3fy0 s ASN 329 Ca 0.59 1.86 -0.30 0.00 -0.71 0.00 0.00 52.86 54.29 3fy0 s ASN 329 Cb -0.09 -2.55 -0.08 0.00 0.41 0.00 0.00 41.25 38.95 3fy0 s ASN 329 CO 0.11 -0.85 1.17 -0.47 -1.51 0.00 0.00 177.10 175.55 3fy0 s TYR 330 N -2.17 3.47 -0.13 2.20 6.14 -1.26 -2.31 117.35 123.29 3fy0 s TYR 330 Ca 0.65 1.47 -0.00 0.00 0.64 0.00 0.00 57.07 59.83 3fy0 s TYR 330 Cb -0.15 -3.39 -0.08 0.00 0.42 0.00 0.00 41.96 38.76 3fy0 s TYR 330 CO 0.25 -1.03 -0.12 1.28 0.64 0.00 0.00 175.55 176.57 3fy0 n LEU 331 N 2.50 2.70 -3.62 6.97 4.77 0.03 -4.87 117.00 125.48 3fy0 n LEU 331 Ca 0.04 -0.03 -0.01 0.00 -0.03 0.00 0.00 56.01 55.98 3fy0 n LEU 331 Cb 0.45 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3fy0 n LEU 331 CO 0.55 0.66 1.00 -0.62 -1.33 0.00 0.00 177.39 177.65 3fy0 s ASP 332 N -5.41 -0.10 0.08 -1.43 -1.08 -1.18 -5.00 116.67 102.56 3fy0 s ASP 332 Ca -0.18 -0.13 -0.25 0.00 -0.52 0.00 0.00 52.55 51.48 3fy0 s ASP 332 Cb 0.05 0.20 0.06 0.00 -1.46 0.00 0.00 42.92 41.77 3fy0 s ASP 332 CO 0.29 -0.36 0.60 -0.94 0.52 0.00 0.00 175.17 175.28 3fy0 s SER 333 N -2.78 -0.55 -0.02 -0.34 1.04 -1.26 -0.16 113.70 109.63 3fy0 s SER 333 Ca 0.13 0.21 -0.03 0.00 0.48 0.00 0.00 55.95 56.73 3fy0 s SER 333 Cb 0.03 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3fy0 s SER 333 CO -0.04 -0.82 0.08 -0.31 0.98 0.00 0.00 173.24 173.13 3fy0 s TYR 334 N -2.83 -0.04 -0.21 5.02 1.51 -0.38 -0.04 117.35 120.37 3fy0 s TYR 334 Ca -0.03 0.11 0.01 0.00 -1.01 0.00 0.00 57.07 56.15 3fy0 s TYR 334 Cb -0.01 -0.00 0.05 0.00 -0.11 0.00 0.00 41.96 41.89 3fy0 s TYR 334 CO -0.05 -0.09 -0.11 -1.17 -1.11 0.00 0.00 175.55 173.02 3fy0 s LEU 335 N -0.29 2.49 -0.37 -1.29 2.96 -1.26 -0.35 118.68 120.57 3fy0 s LEU 335 Ca -0.04 -0.98 -0.04 0.00 -0.22 0.00 0.00 54.13 52.85 3fy0 s LEU 335 Cb -0.02 -1.30 0.07 0.00 0.50 0.00 0.00 46.19 45.44 3fy0 s LEU 335 CO 0.00 -0.15 0.13 -0.69 -1.32 0.00 0.00 176.35 174.33 3fy0 s VAL 336 N 1.34 3.43 0.00 1.68 1.01 0.74 -4.77 120.40 123.82 3fy0 s VAL 336 Ca -0.02 -1.59 0.00 0.00 0.00 0.00 0.00 61.98 60.36 3fy0 s VAL 336 Cb -0.17 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3fy0 s VAL 336 CO -0.08 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.23 3fy0 n GLY 337 N 4.69 3.16 1.22 4.51 0.00 -1.26 -1.21 105.19 116.30 3fy0 n GLY 337 Ca -0.08 0.27 0.10 0.00 0.00 0.00 0.00 46.02 46.31 3fy0 n GLY 337 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fy0 n ASP 338 N 9.05 3.56 -4.26 1.61 3.85 -1.26 -4.88 116.55 124.21 3fy0 n ASP 338 Ca 0.00 -2.05 -0.36 0.00 -0.71 0.00 0.00 54.79 51.68 3fy0 n ASP 338 Cb 0.00 -0.45 -0.14 0.00 -1.35 0.00 0.00 41.12 39.19 3fy0 n ASP 338 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 3fy0 s GLU 339 N -1.22 2.90 -0.17 0.11 2.12 -0.35 -0.79 118.70 121.30 3fy0 s GLU 339 Ca 0.43 -0.96 -0.09 0.00 0.36 0.00 0.00 54.97 54.72 3fy0 s GLU 339 Cb 0.23 -3.17 -0.05 0.00 0.26 0.00 0.00 34.13 31.41 3fy0 s GLU 339 CO 0.28 -0.44 0.12 -1.17 -0.54 0.00 0.00 175.26 173.51 3fy0 s LEU 340 N 1.39 4.19 -0.13 2.70 2.96 -0.04 -0.19 118.68 129.57 3fy0 s LEU 340 Ca 0.01 0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 54.19 3fy0 s LEU 340 Cb -0.17 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 3fy0 s LEU 340 CO -0.01 0.25 -0.12 0.26 -1.32 0.00 0.00 176.35 175.41 3fy0 s TRP 341 N -0.05 2.84 -0.19 5.38 0.52 0.53 -0.53 118.94 127.44 3fy0 s TRP 341 Ca 0.09 -0.53 0.01 0.00 0.02 0.00 0.00 56.10 55.69 3fy0 s TRP 341 Cb -0.11 -1.84 0.03 0.00 -1.15 0.00 0.00 33.47 30.39 3fy0 s TRP 341 CO -0.00 -0.14 -0.17 0.08 0.02 0.00 0.00 176.95 176.74 3fy0 s VAL 342 N 0.23 1.99 -0.18 4.03 1.01 -0.65 -1.25 120.40 125.57 3fy0 s VAL 342 Ca -0.08 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.77 3fy0 s VAL 342 Cb -0.15 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 3fy0 s VAL 342 CO 0.05 0.43 0.29 -0.69 0.00 0.00 0.00 175.10 175.18 3fy0 s VAL 343 N 1.30 5.29 0.20 2.92 1.01 0.78 -0.88 120.40 131.02 3fy0 s VAL 343 Ca 0.03 0.52 0.07 0.00 0.00 0.00 0.00 61.98 62.60 3fy0 s VAL 343 Cb -0.14 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 3fy0 s VAL 343 CO -0.11 0.35 -0.13 -0.04 0.00 0.00 0.00 175.10 175.17 3fy0 s MET 344 N 0.76 1.31 0.50 2.72 -1.94 0.25 -0.79 119.30 122.11 3fy0 s MET 344 Ca 0.15 -1.59 -0.23 0.00 -1.71 0.00 0.00 55.69 52.31 3fy0 s MET 344 Cb -0.13 -1.04 -0.06 0.00 2.01 0.00 0.00 34.83 35.60 3fy0 s MET 344 CO 0.05 0.15 1.33 -1.21 -0.01 0.00 0.00 175.02 175.33 3fy0 s GLU 345 N -3.67 3.42 -0.10 2.03 2.02 -0.98 0.01 118.70 121.43 3fy0 s GLU 345 Ca 0.22 2.18 0.02 0.00 0.02 0.00 0.00 54.97 57.42 3fy0 s GLU 345 Cb 0.00 -2.40 -0.01 0.00 0.10 0.00 0.00 34.13 31.82 3fy0 s GLU 345 CO 0.06 -0.95 -0.17 -0.47 0.02 0.00 0.00 175.26 173.75 3fy0 s TYR 346 N -1.32 2.69 -0.15 1.61 5.04 -1.25 -4.33 117.35 119.63 3fy0 s TYR 346 Ca 0.67 -0.63 0.01 0.00 -2.44 0.00 0.00 57.07 54.68 3fy0 s TYR 346 Cb -0.39 -1.74 0.00 0.00 0.35 0.00 0.00 41.96 40.19 3fy0 s TYR 346 CO 0.47 -0.17 -0.18 -0.51 -1.34 0.00 0.00 175.55 173.82 3fy0 s LEU 347 N 0.05 2.34 0.00 6.97 1.43 -1.26 -4.91 118.68 123.30 3fy0 s LEU 347 Ca -0.07 -0.52 0.27 0.00 -1.03 0.00 0.00 54.13 52.78 3fy0 s LEU 347 Cb -0.15 -1.52 0.81 0.00 0.03 0.00 0.00 46.19 45.36 3fy0 s LEU 347 CO 0.05 0.09 1.62 0.00 0.23 0.00 0.00 176.35 178.34 3fy0 n ALA 348 N 4.03 3.06 -0.42 4.21 0.00 -1.25 -4.13 120.51 126.01 3fy0 n ALA 348 Ca -0.19 -0.25 0.05 0.00 0.00 0.00 0.00 53.44 53.05 3fy0 n ALA 348 Cb 0.52 -1.26 0.31 0.00 0.00 0.00 0.00 19.45 19.01 3fy0 n ALA 348 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fy0 n GLY 349 N 1.50 2.62 6.56 0.00 0.00 -0.43 -4.84 105.19 110.59 3fy0 n GLY 349 Ca 0.06 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.40 3fy0 n GLY 349 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fy0 n GLY 350 N 0.47 -1.24 3.91 -0.02 0.00 -1.24 -4.51 105.19 102.56 3fy0 n GLY 350 Ca 0.21 -1.10 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 3fy0 n GLY 350 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fy0 s SER 351 N -4.16 6.29 0.46 1.61 1.04 -1.26 -0.47 113.70 117.20 3fy0 s SER 351 Ca 0.00 0.84 0.11 0.00 0.48 0.00 0.00 55.95 57.38 3fy0 s SER 351 Cb 0.00 -2.21 1.04 0.00 0.10 0.00 0.00 66.02 64.95 3fy0 s SER 351 CO 0.00 -0.51 2.10 0.25 0.98 0.00 0.00 173.24 176.06 3fy0 h LEU 352 N 0.41 0.26 -0.58 2.42 5.85 -1.08 -2.90 115.31 119.69 3fy0 h LEU 352 Ca -0.47 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.35 3fy0 h LEU 352 Cb 1.21 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.08 3fy0 h LEU 352 CO 0.62 0.19 0.04 0.74 -0.34 0.00 0.00 178.44 179.70 3fy0 h THR 353 N 0.31 0.57 -0.77 1.05 2.02 -1.82 0.15 112.91 114.41 3fy0 h THR 353 Ca 0.08 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 3fy0 h THR 353 Cb -0.03 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 3fy0 h THR 353 CO -0.02 0.03 0.37 0.44 0.37 0.00 0.00 175.52 176.71 3fy0 h ASP 354 N 0.16 1.02 -0.14 4.18 3.32 -1.87 -1.27 116.42 121.82 3fy0 h ASP 354 Ca 0.30 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 3fy0 h ASP 354 Cb 0.47 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3fy0 h ASP 354 CO -0.46 0.87 0.08 0.58 -1.72 0.00 0.00 179.24 178.59 3fy0 h VAL 355 N 1.09 1.09 0.00 -1.35 2.07 -1.25 -1.78 116.25 116.13 3fy0 h VAL 355 Ca 0.27 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3fy0 h VAL 355 Cb 0.13 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3fy0 h VAL 355 CO -0.03 0.08 -0.07 -0.37 0.02 0.00 0.00 177.57 177.20 3fy0 h VAL 356 N 0.13 0.19 0.00 2.57 -1.51 -0.54 -0.53 116.25 116.57 3fy0 h VAL 356 Ca 0.05 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 3fy0 h VAL 356 Cb 0.06 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 3fy0 h VAL 356 CO -0.01 0.07 -1.37 0.35 -1.23 0.00 0.00 177.57 175.38 3fy0 n THR 357 N -3.22 0.22 0.03 7.19 -2.24 -0.50 -4.44 114.28 111.33 3fy0 n THR 357 Ca 0.00 -0.40 0.01 0.00 -2.27 0.00 0.00 64.05 61.39 3fy0 n THR 357 Cb 0.32 0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 3fy0 n THR 357 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3fy0 n GLU 358 N -2.23 1.89 -4.39 -0.78 -0.58 -0.68 -5.06 120.64 108.81 3fy0 n GLU 358 Ca -0.01 -0.02 -0.22 0.00 -0.42 0.00 0.00 57.16 56.50 3fy0 n GLU 358 Cb 0.51 -0.93 -0.08 0.00 -0.57 0.00 0.00 31.44 30.37 3fy0 n GLU 358 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3fy0 s THR 359 N -1.90 0.28 -0.27 2.62 -4.23 -0.22 -4.86 115.64 107.06 3fy0 s THR 359 Ca -0.00 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3fy0 s THR 359 Cb 0.02 -2.43 0.08 0.00 1.34 0.00 0.00 72.50 71.51 3fy0 s THR 359 CO 0.10 0.00 0.04 0.00 -0.54 0.00 0.00 174.62 174.22 3fy0 s MET 361 N 1.49 4.61 0.59 0.00 -1.94 -1.26 -5.06 119.30 117.73 3fy0 s MET 361 Ca 0.04 1.66 0.02 0.00 -1.71 0.00 0.00 55.69 55.69 3fy0 s MET 361 Cb -0.18 -3.08 0.06 0.00 2.01 0.00 0.00 34.83 33.64 3fy0 s MET 361 CO -0.15 0.23 0.82 0.16 -0.01 0.00 0.00 175.02 176.08 3fy0 s ASP 362 N -1.10 5.04 0.35 3.03 1.47 -1.26 -4.89 116.67 119.31 3fy0 s ASP 362 Ca 0.46 -0.19 0.08 0.00 1.18 0.00 0.00 52.55 54.08 3fy0 s ASP 362 Cb -0.28 -0.55 0.67 0.00 -0.34 0.00 0.00 42.92 42.42 3fy0 s ASP 362 CO 0.36 -1.33 1.86 -0.33 0.68 0.00 0.00 175.17 176.41 3fy0 h GLU 363 N -0.05 0.30 -0.31 2.11 5.08 -1.98 -1.59 114.58 118.14 3fy0 h GLU 363 Ca -0.40 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 57.79 3fy0 h GLU 363 Cb 1.29 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 3fy0 h GLU 363 CO 0.48 0.47 -0.19 0.78 -1.00 0.00 0.00 179.01 179.55 3fy0 h GLY 364 N 0.86 0.62 1.31 -3.84 0.00 -1.94 0.12 103.07 100.20 3fy0 h GLY 364 Ca 0.05 -0.48 -0.24 0.00 0.00 0.00 0.00 47.33 46.66 3fy0 h GLY 364 CO 0.03 0.44 -0.92 1.46 0.00 0.00 0.00 176.54 177.55 3fy0 h GLN 365 N 0.52 0.64 -0.48 4.80 4.20 -1.70 0.11 115.11 123.19 3fy0 h GLN 365 Ca 0.08 -0.62 -0.03 0.00 0.06 0.00 0.00 58.65 58.14 3fy0 h GLN 365 Cb 0.61 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 3fy0 h GLN 365 CO 0.04 1.23 0.20 0.82 -0.67 0.00 0.00 178.83 180.45 3fy0 h ILE 366 N 0.39 1.21 -0.83 2.54 2.04 -1.17 -2.51 117.51 119.18 3fy0 h ILE 366 Ca -0.09 -0.64 0.07 0.00 1.00 0.00 0.00 64.86 65.20 3fy0 h ILE 366 Cb 1.55 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 38.30 3fy0 h ILE 366 CO 0.18 0.24 0.51 0.00 0.00 0.00 0.00 178.15 179.07 3fy0 h ALA 367 N 1.04 1.15 -0.01 1.87 0.00 -0.79 -0.27 119.26 122.26 3fy0 h ALA 367 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3fy0 h ALA 367 Cb 0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3fy0 h ALA 367 CO -0.01 0.22 -0.00 0.00 0.00 0.00 0.00 179.25 179.45 3fy0 h ALA 368 N 1.41 0.00 -0.38 0.00 0.00 -1.42 -0.95 119.26 117.92 3fy0 h ALA 368 Ca 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 3fy0 h ALA 368 Cb 0.22 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3fy0 h ALA 368 CO -0.19 -0.50 0.19 0.28 0.00 0.00 0.00 179.25 179.03 3fy0 h VAL 369 N -0.00 1.16 -0.72 0.00 2.07 -1.13 -2.21 116.25 115.42 3fy0 h VAL 369 Ca 0.01 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.08 3fy0 h VAL 369 Cb 0.01 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3fy0 h VAL 369 CO -0.01 0.17 0.47 0.00 0.02 0.00 0.00 177.57 178.23 3fy0 h ARG 371 N 0.96 0.01 -0.51 0.00 2.43 -1.00 -0.74 114.38 115.53 3fy0 h ARG 371 Ca 0.27 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.45 3fy0 h ARG 371 Cb -0.08 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 3fy0 h ARG 371 CO -0.07 0.05 0.33 0.93 -1.51 0.00 0.00 179.97 179.70 3fy0 h GLU 372 N -0.03 0.64 -0.70 0.20 4.39 -1.24 0.66 114.58 118.51 3fy0 h GLU 372 Ca 0.00 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 3fy0 h GLU 372 Cb 0.04 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 3fy0 h GLU 372 CO -0.00 0.42 0.29 0.00 -1.16 0.00 0.00 179.01 178.57 3fy0 h LEU 374 N 1.01 0.09 -0.79 0.00 3.38 -0.53 0.14 115.31 118.61 3fy0 h LEU 374 Ca 0.24 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 3fy0 h LEU 374 Cb 0.17 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3fy0 h LEU 374 CO -0.02 0.59 0.43 1.56 0.09 0.00 0.00 178.44 181.09 3fy0 h GLN 375 N 0.07 1.10 -0.34 1.13 4.20 -0.57 -0.17 115.11 120.52 3fy0 h GLN 375 Ca -0.00 -0.13 -0.10 0.00 0.06 0.00 0.00 58.65 58.48 3fy0 h GLN 375 Cb 0.94 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 3fy0 h GLN 375 CO 0.07 0.81 -0.17 0.00 -0.67 0.00 0.00 178.83 178.87 3fy0 h ALA 376 N 1.23 0.48 -0.52 3.87 0.00 -1.05 -2.69 119.26 120.57 3fy0 h ALA 376 Ca 0.28 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3fy0 h ALA 376 Cb 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3fy0 h ALA 376 CO -0.04 0.41 0.20 -0.07 0.00 0.00 0.00 179.25 179.75 3fy0 h LEU 377 N 0.50 0.73 -0.32 0.00 3.38 -0.80 -1.38 115.31 117.42 3fy0 h LEU 377 Ca 0.08 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3fy0 h LEU 377 Cb 0.71 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3fy0 h LEU 377 CO 0.05 0.71 0.19 -0.08 0.09 0.00 0.00 178.44 179.39 3fy0 h GLU 378 N 0.71 0.37 -0.25 1.13 4.22 -1.04 0.31 114.58 120.04 3fy0 h GLU 378 Ca 0.17 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.59 3fy0 h GLU 378 Cb 0.21 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3fy0 h GLU 378 CO -0.01 0.25 0.13 0.35 -2.18 0.00 0.00 179.01 177.55 3fy0 h PHE 379 N 0.38 0.34 0.27 0.92 3.57 -1.38 -0.95 116.94 120.10 3fy0 h PHE 379 Ca 0.13 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 3fy0 h PHE 379 Cb 0.00 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.63 3fy0 h PHE 379 CO -0.08 0.30 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.11 3fy0 h LEU 380 N 0.29 -0.30 -1.43 0.59 3.38 -0.95 -2.49 115.31 114.40 3fy0 h LEU 380 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3fy0 h LEU 380 Cb 0.07 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3fy0 h LEU 380 CO -0.01 -0.18 0.34 0.45 0.09 0.00 0.00 178.44 179.12 3fy0 h HIS 381 N -0.40 0.69 0.00 1.13 3.86 -0.32 0.49 115.15 120.60 3fy0 h HIS 381 Ca -0.04 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 3fy0 h HIS 381 Cb 0.31 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 3fy0 h HIS 381 CO -0.05 0.46 -0.08 0.66 0.86 0.00 0.00 177.93 179.78 3fy0 h SER 382 N 0.74 0.00 -0.52 2.45 4.64 -1.09 -2.06 113.55 117.71 3fy0 h SER 382 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3fy0 h SER 382 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3fy0 h SER 382 CO -0.04 0.08 0.00 0.59 -0.87 0.00 0.00 176.83 176.60 3fy0 n ASN 383 N -3.18 3.58 -2.54 4.97 3.02 -0.10 -4.95 115.26 116.05 3fy0 n ASN 383 Ca 0.01 -2.26 -0.20 0.00 -0.03 0.00 0.00 54.58 52.11 3fy0 n ASN 383 Cb 0.40 -0.47 0.02 0.00 -0.61 0.00 0.00 39.78 39.11 3fy0 n ASN 383 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fy0 n GLN 384 N 0.90 -3.31 -4.04 3.52 3.00 -0.77 -4.92 117.38 111.76 3fy0 n GLN 384 Ca 0.20 0.88 -0.35 0.00 -0.01 0.00 0.00 57.00 57.72 3fy0 n GLN 384 Cb 0.65 -5.53 -0.14 0.00 0.00 0.00 0.00 30.24 25.22 3fy0 n GLN 384 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3fy0 s VAL 385 N -3.06 3.18 -0.24 5.09 1.01 -0.03 -1.08 120.40 125.27 3fy0 s VAL 385 Ca 0.17 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.45 3fy0 s VAL 385 Cb -0.07 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 3fy0 s VAL 385 CO 0.20 0.45 0.30 -0.63 0.00 0.00 0.00 175.10 175.43 3fy0 s ILE 386 N 1.31 5.25 0.07 2.22 1.01 -0.10 -3.29 121.20 127.67 3fy0 s ILE 386 Ca 0.04 0.47 -0.27 0.00 0.00 0.00 0.00 60.65 60.88 3fy0 s ILE 386 Cb -0.14 -3.64 -0.17 0.00 0.01 0.00 0.00 42.46 38.52 3fy0 s ILE 386 CO -0.03 0.25 1.60 -0.74 0.00 0.00 0.00 174.94 176.02 3fy0 h HIS 387 N 7.72 -0.40 0.00 3.97 -0.00 -1.91 0.28 115.15 124.81 3fy0 h HIS 387 Ca -0.35 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.01 3fy0 h HIS 387 Cb 1.17 0.13 0.00 0.00 -0.00 0.00 0.00 27.41 28.71 3fy0 h HIS 387 CO 0.71 -0.20 0.00 0.54 -0.00 0.00 0.00 177.93 178.97 3fy0 n ARG 388 N -5.25 0.00 -2.69 5.26 1.74 -1.26 -2.97 116.66 111.49 3fy0 n ARG 388 Ca -0.10 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.90 3fy0 n ARG 388 Cb 0.21 -2.19 0.03 0.00 -1.02 0.00 0.00 32.46 29.49 3fy0 n ARG 388 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3fy0 n ASP 389 N 0.00 1.56 -4.64 0.55 2.03 -1.26 -3.73 116.55 111.06 3fy0 n ASP 389 Ca 0.00 -2.60 -0.43 0.00 0.52 0.00 0.00 54.79 52.28 3fy0 n ASP 389 Cb 0.00 -0.52 -0.02 0.00 -0.72 0.00 0.00 41.12 39.86 3fy0 n ASP 389 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3fy0 s ILE 390 N -3.32 3.78 0.18 5.18 -1.09 -1.26 -4.80 121.20 119.87 3fy0 s ILE 390 Ca 0.28 0.91 -0.23 0.00 -2.23 0.00 0.00 60.65 59.37 3fy0 s ILE 390 Cb 0.43 -3.72 0.06 0.00 -1.58 0.00 0.00 42.46 37.65 3fy0 s ILE 390 CO 0.02 -0.23 0.70 -1.59 -1.23 0.00 0.00 174.94 172.61 3fy0 s LYS 391 N 4.33 1.40 0.37 2.79 -2.85 -1.26 -4.69 119.74 119.83 3fy0 s LYS 391 Ca 0.69 -0.65 0.04 0.00 -1.00 0.00 0.00 55.97 55.05 3fy0 s LYS 391 Cb -0.26 0.56 0.72 0.00 -2.06 0.00 0.00 37.83 36.79 3fy0 s LYS 391 CO 0.27 -0.63 2.02 0.66 0.10 0.00 0.00 175.35 177.77 3fy0 h SER 392 N 2.00 0.61 -0.01 0.03 4.64 -1.93 0.40 113.55 119.29 3fy0 h SER 392 Ca -0.27 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3fy0 h SER 392 Cb 1.28 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3fy0 h SER 392 CO 0.31 0.46 0.09 0.44 -0.87 0.00 0.00 176.83 177.26 3fy0 h ASP 393 N 0.71 0.00 -0.62 4.97 3.32 -1.95 -2.12 116.42 120.73 3fy0 h ASP 393 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3fy0 h ASP 393 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3fy0 h ASP 393 CO -0.04 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.07 3fy0 n ASN 394 N -3.08 3.76 -4.43 6.45 3.02 0.14 -4.82 115.26 116.30 3fy0 n ASN 394 Ca -0.03 -1.99 -0.36 0.00 -0.03 0.00 0.00 54.58 52.17 3fy0 n ASN 394 Cb 0.16 -0.41 -0.13 0.00 -0.61 0.00 0.00 39.78 38.79 3fy0 n ASN 394 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3fy0 s ILE 395 N -1.12 4.10 0.01 2.41 -1.09 -0.81 -0.65 121.20 124.04 3fy0 s ILE 395 Ca 0.45 -0.25 0.01 0.00 -2.23 0.00 0.00 60.65 58.62 3fy0 s ILE 395 Cb 0.24 -2.89 -0.04 0.00 -1.58 0.00 0.00 42.46 38.19 3fy0 s ILE 395 CO 0.32 0.38 0.05 -0.76 -1.23 0.00 0.00 174.94 173.69 3fy0 s LEU 396 N 1.41 3.74 -0.04 2.97 1.43 0.48 -1.35 118.68 127.33 3fy0 s LEU 396 Ca 0.05 0.06 0.06 0.00 -1.03 0.00 0.00 54.13 53.27 3fy0 s LEU 396 Cb -0.15 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.84 3fy0 s LEU 396 CO 0.02 0.26 -0.21 -0.76 0.23 0.00 0.00 176.35 175.88 3fy0 s LEU 397 N -1.78 2.31 0.56 1.79 1.43 0.38 -1.20 118.68 122.16 3fy0 s LEU 397 Ca 0.23 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.88 3fy0 s LEU 397 Cb -0.12 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 3fy0 s LEU 397 CO 0.14 0.32 0.90 -0.83 0.23 0.00 0.00 176.35 177.11 3fy0 s GLY 398 N -0.58 1.57 0.64 -3.19 0.00 -0.45 -1.31 107.32 104.00 3fy0 s GLY 398 Ca 0.09 -0.40 0.41 0.00 0.00 0.00 0.00 44.72 44.82 3fy0 s GLY 398 CO 0.00 -0.16 2.31 -0.33 0.00 0.00 0.00 173.10 174.92 3fy0 h MET 399 N -0.07 0.00 -0.31 2.90 0.00 -1.90 -1.50 114.93 114.05 3fy0 h MET 399 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.24 3fy0 h MET 399 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.81 3fy0 h MET 399 CO 0.62 0.01 0.00 -0.40 0.00 0.00 0.00 176.91 177.13 3fy0 n ASP 400 N -3.23 2.05 0.00 1.22 5.75 -1.26 -4.72 116.55 116.36 3fy0 n ASP 400 Ca -0.03 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 3fy0 n ASP 400 Cb 0.10 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 3fy0 n ASP 400 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fy0 n GLY 401 N 1.16 0.75 3.65 6.12 0.00 -0.56 -4.05 105.19 112.26 3fy0 n GLY 401 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3fy0 n GLY 401 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fy0 n SER 402 N 0.00 1.31 -3.92 1.61 7.64 -1.26 -4.78 113.62 114.23 3fy0 n SER 402 Ca 0.00 0.88 -0.26 0.00 1.01 0.00 0.00 58.87 60.50 3fy0 n SER 402 Cb 0.00 -1.43 -0.17 0.00 -1.01 0.00 0.00 64.21 61.60 3fy0 n SER 402 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3fy0 s VAL 403 N -1.43 0.98 0.00 0.44 1.01 -1.26 -1.34 120.40 118.81 3fy0 s VAL 403 Ca 0.73 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.43 3fy0 s VAL 403 Cb -0.43 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 3fy0 s VAL 403 CO 0.49 0.35 -0.03 -0.54 0.00 0.00 0.00 175.10 175.37 3fy0 s LYS 404 N 1.49 0.23 0.14 2.72 1.02 -0.34 -4.57 119.74 120.42 3fy0 s LYS 404 Ca 0.00 -0.14 -0.26 0.00 0.02 0.00 0.00 55.97 55.60 3fy0 s LYS 404 Cb -0.13 -0.20 -0.07 0.00 -0.52 0.00 0.00 37.83 36.91 3fy0 s LYS 404 CO -0.05 0.05 0.79 -1.17 -0.92 0.00 0.00 175.35 174.05 3fy0 s LEU 405 N -0.18 4.56 0.00 3.17 2.96 -0.21 -0.38 118.68 128.60 3fy0 s LEU 405 Ca -0.00 1.63 0.00 0.00 -0.22 0.00 0.00 54.13 55.54 3fy0 s LEU 405 Cb -0.02 -3.31 0.00 0.00 0.50 0.00 0.00 46.19 43.36 3fy0 s LEU 405 CO -0.00 0.15 0.00 1.07 -1.32 0.00 0.00 176.35 176.25 3fy0 n THR 406 N 1.90 0.00 -3.32 3.68 5.66 0.17 -0.64 114.28 121.73 3fy0 n THR 406 Ca -0.04 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.75 3fy0 n THR 406 Cb 0.49 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.29 3fy0 n THR 406 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3fy0 n ASP 407 N -1.69 -6.15 -1.68 1.09 -0.08 -1.26 -4.89 116.55 101.89 3fy0 n ASP 407 Ca 0.00 0.17 0.03 0.00 -1.51 0.00 0.00 54.79 53.48 3fy0 n ASP 407 Cb 0.00 -1.94 0.31 0.00 2.34 0.00 0.00 41.12 41.84 3fy0 n ASP 407 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3fy0 n PHE 408 N 0.45 1.79 0.24 -0.67 3.01 -1.26 -4.49 117.46 116.53 3fy0 n PHE 408 Ca -0.04 -0.69 0.04 0.00 1.01 0.00 0.00 57.45 57.77 3fy0 n PHE 408 Cb 0.57 -0.48 0.17 0.00 -0.01 0.00 0.00 39.48 39.73 3fy0 n PHE 408 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3fy0 n GLY 409 N 0.38 -0.75 0.00 1.37 0.00 -1.26 -3.01 105.19 101.92 3fy0 n GLY 409 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3fy0 n GLY 409 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fy0 n PHE 410 N -1.53 0.00 -2.16 1.61 3.72 -1.26 -4.96 117.46 112.87 3fy0 n PHE 410 Ca 0.02 -0.33 -0.34 0.00 -0.05 0.00 0.00 57.45 56.75 3fy0 n PHE 410 Cb 0.08 -0.03 0.01 0.00 -0.94 0.00 0.00 39.48 38.60 3fy0 n PHE 410 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fy0 s ALA 412 N -1.93 2.39 -0.40 0.00 0.00 0.98 -4.98 121.76 117.83 3fy0 s ALA 412 Ca 0.71 -0.95 -0.19 0.00 0.00 0.00 0.00 51.96 51.53 3fy0 s ALA 412 Cb -0.22 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 21.93 3fy0 s ALA 412 CO 0.30 0.31 0.54 -0.65 0.00 0.00 0.00 175.76 176.26 3fy0 s GLN 413 N 0.20 3.37 0.58 0.00 -1.52 -1.26 -0.92 119.66 120.11 3fy0 s GLN 413 Ca -0.12 -0.38 -0.02 0.00 -1.95 0.00 0.00 55.36 52.90 3fy0 s GLN 413 Cb -0.16 -3.90 0.03 0.00 -0.22 0.00 0.00 33.01 28.76 3fy0 s GLN 413 CO 0.06 -0.83 0.83 0.96 -0.25 0.00 0.00 175.29 176.07 3fy0 s ILE 414 N 2.49 2.88 0.22 1.08 -4.36 -0.24 -5.03 121.20 118.24 3fy0 s ILE 414 Ca 0.19 -0.47 0.03 0.00 -0.26 0.00 0.00 60.65 60.14 3fy0 s ILE 414 Cb -0.15 -3.12 -0.05 0.00 1.25 0.00 0.00 42.46 40.38 3fy0 s ILE 414 CO 0.15 -0.10 0.00 0.42 0.24 0.00 0.00 174.94 175.66 3fy0 s THR 415 N -2.88 0.93 0.14 8.37 -4.23 -1.02 -4.86 115.64 112.09 3fy0 s THR 415 Ca 0.56 -2.02 0.32 0.00 -1.18 0.00 0.00 61.69 59.37 3fy0 s THR 415 Cb -0.10 -2.32 0.32 0.00 1.34 0.00 0.00 72.50 71.74 3fy0 s THR 415 CO 0.41 -0.33 1.97 -0.65 -0.54 0.00 0.00 174.62 175.47 3fy0 h PRO 416 N 2.51 0.00 0.13 3.99 0.11 -2.00 -2.13 132.00 134.62 3fy0 h PRO 416 Ca -0.38 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.39 3fy0 h PRO 416 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3fy0 h PRO 416 CO 0.64 0.00 -1.77 1.49 -0.21 0.00 0.00 178.00 178.15 3fy0 h GLU 417 N 0.00 0.28 -2.87 1.05 4.81 -2.04 -3.41 114.58 112.40 3fy0 h GLU 417 Ca 0.00 -0.48 -0.61 0.00 -0.13 0.00 0.00 59.36 58.14 3fy0 h GLU 417 Cb 0.07 0.18 -0.41 0.00 0.63 0.00 0.00 28.75 29.22 3fy0 h GLU 417 CO 0.00 1.23 -0.69 -1.14 -0.73 0.00 0.00 179.01 177.67 3fy0 s GLN 418 N -2.53 1.99 0.00 1.92 0.74 -1.14 -4.95 119.66 115.68 3fy0 s GLN 418 Ca -0.21 -2.97 0.26 0.00 0.05 0.00 0.00 55.36 52.50 3fy0 s GLN 418 Cb 0.06 -2.82 1.23 0.00 1.10 0.00 0.00 33.01 32.58 3fy0 s GLN 418 CO 0.78 -1.31 1.83 -1.13 -0.55 0.00 0.00 175.29 174.90 3fy0 n SER 419 N 2.25 0.90 -4.17 6.67 3.41 -0.81 -2.44 113.62 119.43 3fy0 n SER 419 Ca 0.22 -1.40 -0.18 0.00 -0.26 0.00 0.00 58.87 57.25 3fy0 n SER 419 Cb 0.39 -0.02 -0.12 0.00 -0.26 0.00 0.00 64.21 64.20 3fy0 n SER 419 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3fy0 s LYS 420 N -1.96 0.82 0.38 4.33 1.02 -1.26 -4.66 119.74 118.41 3fy0 s LYS 420 Ca 0.38 -0.95 0.06 0.00 0.02 0.00 0.00 55.97 55.48 3fy0 s LYS 420 Cb 0.19 -0.82 -0.07 0.00 -0.52 0.00 0.00 37.83 36.61 3fy0 s LYS 420 CO 0.31 0.18 0.02 1.03 -0.92 0.00 0.00 175.35 175.97 3fy0 s ARG 421 N -1.72 1.85 -0.50 1.68 1.81 -0.18 -4.86 118.95 117.02 3fy0 s ARG 421 Ca -0.02 -2.03 0.06 0.00 -1.72 0.00 0.00 55.73 52.02 3fy0 s ARG 421 Cb -0.10 -1.40 0.22 0.00 -0.45 0.00 0.00 34.95 33.22 3fy0 s ARG 421 CO 0.02 -0.08 0.53 -1.13 -0.68 0.00 0.00 175.30 173.97 3fy0 n SER 422 N -0.86 1.33 -3.36 0.23 3.41 -1.26 -1.22 113.62 111.88 3fy0 n SER 422 Ca -0.04 -2.88 -0.25 0.00 -0.26 0.00 0.00 58.87 55.44 3fy0 n SER 422 Cb 0.67 -0.64 -0.10 0.00 -0.26 0.00 0.00 64.21 63.88 3fy0 n SER 422 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3fy0 s MET 424 N -1.26 0.77 -0.03 4.33 -1.94 -1.26 -4.93 119.30 114.97 3fy0 s MET 424 Ca 0.34 -1.64 0.16 0.00 -1.71 0.00 0.00 55.69 52.85 3fy0 s MET 424 Cb 0.10 -1.19 -0.25 0.00 2.01 0.00 0.00 34.83 35.50 3fy0 s MET 424 CO -0.11 -1.31 0.34 1.33 -0.01 0.00 0.00 175.02 175.26 3fy0 n VAL 425 N 3.39 0.09 -1.23 -6.03 0.24 -1.26 -5.04 118.33 108.50 3fy0 n VAL 425 Ca 0.21 -0.40 -0.29 0.00 -2.04 0.00 0.00 64.34 61.82 3fy0 n VAL 425 Cb 0.45 0.06 0.16 0.00 -1.47 0.00 0.00 33.84 33.03 3fy0 n VAL 425 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3fy0 s GLY 426 N -4.00 1.59 -0.02 7.63 0.00 -1.24 -4.96 107.32 106.32 3fy0 s GLY 426 Ca -0.06 -0.27 -0.30 0.00 0.00 0.00 0.00 44.72 44.08 3fy0 s GLY 426 CO 0.69 0.29 1.24 -1.59 0.00 0.00 0.00 173.10 173.72 3fy0 s THR 427 N -2.99 4.11 0.28 0.90 2.01 -1.26 -4.96 115.64 113.73 3fy0 s THR 427 Ca 0.64 1.46 -0.05 0.00 0.31 0.00 0.00 61.69 64.06 3fy0 s THR 427 Cb -0.18 -3.94 0.40 0.00 0.01 0.00 0.00 72.50 68.79 3fy0 s THR 427 CO 0.57 0.02 1.58 -0.65 -0.69 0.00 0.00 174.62 175.45 3fy0 h PRO 428 N 7.40 0.02 0.00 4.92 0.11 -1.94 -1.99 132.00 140.51 3fy0 h PRO 428 Ca -0.36 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.72 3fy0 h PRO 428 Cb 1.18 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3fy0 h PRO 428 CO 0.87 0.01 -0.11 1.88 -0.21 0.00 0.00 178.00 180.44 3fy0 h TYR 429 N 0.02 0.00 -0.00 0.65 -1.99 -1.91 -2.47 116.97 111.26 3fy0 h TYR 429 Ca 0.50 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.23 3fy0 h TYR 429 Cb 0.90 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.63 3fy0 h TYR 429 CO -0.60 0.11 -0.76 0.91 -0.00 0.00 0.00 178.16 177.82 3fy0 n TRP 430 N -3.28 0.00 -2.13 4.88 8.01 -0.78 -4.76 117.44 119.38 3fy0 n TRP 430 Ca 0.00 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.78 3fy0 n TRP 430 Cb 0.35 -0.04 -0.03 0.00 -2.01 0.00 0.00 31.31 29.58 3fy0 n TRP 430 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3fy0 s MET 431 N -2.85 4.34 0.52 -0.99 -1.94 -0.93 -3.85 119.30 113.60 3fy0 s MET 431 Ca 0.12 2.16 -0.23 0.00 -1.71 0.00 0.00 55.69 56.03 3fy0 s MET 431 Cb 0.17 -3.16 -0.06 0.00 2.01 0.00 0.00 34.83 33.79 3fy0 s MET 431 CO 0.76 -0.32 1.38 0.00 -0.01 0.00 0.00 175.02 176.83 3fy0 n ALA 432 N 2.52 1.73 -0.11 3.03 0.00 -1.26 -4.93 120.51 121.49 3fy0 n ALA 432 Ca 0.06 0.16 0.03 0.00 0.00 0.00 0.00 53.44 53.70 3fy0 n ALA 432 Cb 0.42 -2.37 0.35 0.00 0.00 0.00 0.00 19.45 17.84 3fy0 n ALA 432 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3fy0 h PRO 433 N 1.68 0.74 0.00 0.00 0.11 -1.94 -2.64 132.00 129.94 3fy0 h PRO 433 Ca -0.51 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.53 3fy0 h PRO 433 Cb 1.29 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3fy0 h PRO 433 CO 0.58 0.49 -0.12 1.05 -0.21 0.00 0.00 178.00 179.79 3fy0 h GLU 434 N 0.76 0.00 -0.50 1.05 9.09 -1.93 -0.79 114.58 122.26 3fy0 h GLU 434 Ca 0.23 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.66 3fy0 h GLU 434 Cb -0.01 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.06 3fy0 h GLU 434 CO -0.06 0.12 0.33 0.28 0.05 0.00 0.00 179.01 179.74 3fy0 h VAL 435 N 0.00 1.07 0.00 -1.06 2.07 -1.73 -0.24 116.25 116.36 3fy0 h VAL 435 Ca -0.00 -0.20 -0.26 0.00 0.82 0.00 0.00 66.70 67.05 3fy0 h VAL 435 Cb 0.31 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 3fy0 h VAL 435 CO 0.02 0.11 -1.98 0.55 0.02 0.00 0.00 177.57 176.29 3fy0 n VAL 436 N -4.47 1.22 0.18 2.57 3.14 -0.87 -4.50 118.33 115.60 3fy0 n VAL 436 Ca 0.05 -0.76 0.12 0.00 -2.96 0.00 0.00 64.34 60.78 3fy0 n VAL 436 Cb 0.12 -0.59 0.02 0.00 -1.06 0.00 0.00 33.84 32.33 3fy0 n VAL 436 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3fy0 n THR 437 N -2.78 0.56 -4.42 1.55 -2.24 -0.36 -4.94 114.28 101.66 3fy0 n THR 437 Ca -0.21 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 60.84 3fy0 n THR 437 Cb 0.99 -0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 68.86 3fy0 n THR 437 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3fy0 s ARG 438 N -3.34 1.82 -0.37 -0.78 0.52 -0.12 -5.03 118.95 111.65 3fy0 s ARG 438 Ca 0.00 -2.08 0.07 0.00 -0.52 0.00 0.00 55.73 53.20 3fy0 s ARG 438 Cb 0.10 -0.26 0.44 0.00 0.52 0.00 0.00 34.95 35.76 3fy0 s ARG 438 CO 0.79 -0.52 1.14 1.63 0.02 0.00 0.00 175.30 178.35 3fy0 n LYS 439 N -0.77 3.39 -3.19 3.54 5.02 -1.26 -4.64 118.16 120.25 3fy0 n LYS 439 Ca -0.01 -4.30 0.03 0.00 -2.02 0.00 0.00 58.31 52.02 3fy0 n LYS 439 Cb 0.64 -2.21 -0.01 0.00 -0.02 0.00 0.00 35.03 33.42 3fy0 n LYS 439 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fy0 s ALA 440 N -3.56 -2.20 0.05 7.82 0.00 -1.25 -4.64 121.76 117.98 3fy0 s ALA 440 Ca 0.48 1.84 0.03 0.00 0.00 0.00 0.00 51.96 54.31 3fy0 s ALA 440 Cb 0.40 -2.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 3fy0 s ALA 440 CO -0.08 -1.30 -0.08 1.52 0.00 0.00 0.00 175.76 175.81 3fy0 s TYR 441 N 2.85 0.76 0.00 0.00 1.13 -0.35 -4.91 117.35 116.83 3fy0 s TYR 441 Ca 0.19 -0.54 0.00 0.00 -1.41 0.00 0.00 57.07 55.31 3fy0 s TYR 441 Cb -0.15 -0.45 0.00 0.00 -1.10 0.00 0.00 41.96 40.26 3fy0 s TYR 441 CO -0.21 -0.07 0.00 0.41 -2.51 0.00 0.00 175.55 173.17 3fy0 n GLY 442 N 1.27 6.60 0.37 5.49 0.00 -1.26 -1.01 105.19 116.65 3fy0 n GLY 442 Ca -0.21 -2.08 0.19 0.00 0.00 0.00 0.00 46.02 43.92 3fy0 n GLY 442 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fy0 h PRO 443 N 0.00 0.00 0.00 1.61 0.11 -1.96 -2.46 132.00 129.30 3fy0 h PRO 443 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3fy0 h PRO 443 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3fy0 h PRO 443 CO 0.00 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.42 3fy0 n LYS 444 N -3.79 0.16 0.07 1.05 5.02 -1.26 -1.57 118.16 117.84 3fy0 n LYS 444 Ca 0.06 0.18 0.04 0.00 -2.02 0.00 0.00 58.31 56.56 3fy0 n LYS 444 Cb 0.54 -1.50 0.43 0.00 -0.02 0.00 0.00 35.03 34.48 3fy0 n LYS 444 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 3fy0 h VAL 445 N 0.00 1.12 0.00 -0.18 -1.51 -1.84 -2.22 116.25 111.61 3fy0 h VAL 445 Ca 0.00 -0.38 -0.06 0.00 -1.23 0.00 0.00 66.70 65.03 3fy0 h VAL 445 Cb 0.16 0.80 -0.01 0.00 -2.13 0.00 0.00 31.29 30.11 3fy0 h VAL 445 CO 0.00 0.14 -0.28 0.44 -1.23 0.00 0.00 177.57 176.64 3fy0 h ASP 446 N 0.39 0.00 -0.03 4.19 3.32 -1.55 -1.36 116.42 121.38 3fy0 h ASP 446 Ca 0.10 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3fy0 h ASP 446 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3fy0 h ASP 446 CO -0.01 0.28 -0.10 0.40 -1.72 0.00 0.00 179.24 178.09 3fy0 h ILE 447 N 0.00 1.47 -0.24 0.35 1.08 -1.55 -0.17 117.51 118.44 3fy0 h ILE 447 Ca -0.00 -1.53 0.06 0.00 -0.39 0.00 0.00 64.86 63.00 3fy0 h ILE 447 Cb 0.88 2.40 -0.07 0.00 -3.07 0.00 0.00 36.82 36.95 3fy0 h ILE 447 CO 0.04 0.41 -0.27 -0.25 -0.69 0.00 0.00 178.15 177.39 3fy0 h TRP 448 N -0.44 -0.74 -0.91 1.37 2.91 -1.31 -1.53 115.95 115.30 3fy0 h TRP 448 Ca -0.00 0.04 0.08 0.00 1.13 0.00 0.00 58.89 60.14 3fy0 h TRP 448 Cb 0.73 0.36 -0.07 0.00 -0.51 0.00 0.00 29.16 29.67 3fy0 h TRP 448 CO 0.14 -0.35 0.56 0.77 -1.03 0.00 0.00 178.44 178.53 3fy0 h SER 449 N -0.29 0.86 -0.75 2.65 0.02 -1.18 0.82 113.55 115.68 3fy0 h SER 449 Ca 0.13 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.15 3fy0 h SER 449 Cb 0.49 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 3fy0 h SER 449 CO -0.40 0.52 0.49 0.25 -1.14 0.00 0.00 176.83 176.55 3fy0 h LEU 450 N 0.98 0.78 -0.61 5.07 5.85 -0.54 -1.92 115.31 124.91 3fy0 h LEU 450 Ca 0.41 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 59.06 3fy0 h LEU 450 Cb 0.27 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3fy0 h LEU 450 CO -0.21 0.53 0.14 1.23 -0.34 0.00 0.00 178.44 179.79 3fy0 h GLY 451 N 0.90 1.07 1.48 3.75 0.00 0.16 -0.14 103.07 110.28 3fy0 h GLY 451 Ca 0.30 -0.68 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 3fy0 h GLY 451 CO -0.09 0.63 -0.13 -2.22 0.00 0.00 0.00 176.54 174.73 3fy0 h ILE 452 N 0.90 1.25 -0.69 2.60 1.08 -1.17 -1.30 117.51 120.17 3fy0 h ILE 452 Ca 0.19 -1.12 -0.03 0.00 -0.39 0.00 0.00 64.86 63.51 3fy0 h ILE 452 Cb 0.37 1.13 -0.03 0.00 -3.07 0.00 0.00 36.82 35.22 3fy0 h ILE 452 CO 0.00 0.37 0.32 -0.03 -0.69 0.00 0.00 178.15 178.13 3fy0 h MET 453 N 0.56 1.01 -0.59 2.37 4.05 -1.07 0.16 114.93 121.42 3fy0 h MET 453 Ca 0.10 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3fy0 h MET 453 Cb 0.56 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 31.15 3fy0 h MET 453 CO 0.04 0.80 0.37 0.00 0.23 0.00 0.00 176.91 178.35 3fy0 h ALA 454 N 1.15 1.55 -0.25 0.39 0.00 -0.73 -1.12 119.26 120.25 3fy0 h ALA 454 Ca 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3fy0 h ALA 454 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3fy0 h ALA 454 CO -0.03 0.41 0.10 0.82 0.00 0.00 0.00 179.25 180.55 3fy0 h ILE 455 N 0.80 1.17 -0.83 0.00 2.04 -0.63 -1.97 117.51 118.09 3fy0 h ILE 455 Ca 0.21 -0.50 0.19 0.00 1.00 0.00 0.00 64.86 65.77 3fy0 h ILE 455 Cb -0.06 1.03 -0.12 0.00 -0.74 0.00 0.00 36.82 36.93 3fy0 h ILE 455 CO -0.04 0.17 0.29 -0.33 0.00 0.00 0.00 178.15 178.23 3fy0 h GLU 456 N 0.26 0.33 0.00 2.37 5.08 -0.08 0.20 114.58 122.74 3fy0 h GLU 456 Ca 0.08 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3fy0 h GLU 456 Cb 0.17 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3fy0 h GLU 456 CO -0.01 0.22 -0.19 0.52 -1.00 0.00 0.00 179.01 178.55 3fy0 h MET 457 N 0.34 0.00 0.01 2.33 2.86 -0.72 0.71 114.93 120.46 3fy0 h MET 457 Ca 0.50 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.93 3fy0 h MET 457 Cb 0.91 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.54 3fy0 h MET 457 CO -0.53 0.19 -1.13 0.82 1.06 0.00 0.00 176.91 177.32 3fy0 h ILE 458 N 0.00 1.03 0.00 -1.22 2.04 -0.52 -3.40 117.51 115.45 3fy0 h ILE 458 Ca -0.00 -2.22 0.00 0.00 1.00 0.00 0.00 64.86 63.63 3fy0 h ILE 458 Cb 0.59 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 3fy0 h ILE 458 CO 0.02 0.41 -1.15 -0.62 0.00 0.00 0.00 178.15 176.82 3fy0 n GLU 459 N -4.38 1.37 -0.13 2.37 1.02 0.61 -4.99 120.64 116.50 3fy0 n GLU 459 Ca -0.29 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.79 3fy0 n GLU 459 Cb 0.68 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 3fy0 n GLU 459 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fy0 n GLY 460 N 1.47 1.02 3.30 0.62 0.00 0.25 -5.01 105.19 106.84 3fy0 n GLY 460 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 3fy0 n GLY 460 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fy0 s GLU 461 N -0.60 0.79 0.81 1.61 2.02 -1.24 -4.65 118.70 117.44 3fy0 s GLU 461 Ca 0.00 -0.18 -0.11 0.00 0.02 0.00 0.00 54.97 54.70 3fy0 s GLU 461 Cb 0.00 0.35 0.08 0.00 0.10 0.00 0.00 34.13 34.66 3fy0 s GLU 461 CO 0.00 -0.24 1.09 -1.25 0.02 0.00 0.00 175.26 174.88 3fy0 s PRO 462 N -1.62 1.93 0.46 0.39 0.04 -1.26 -3.73 135.00 131.21 3fy0 s PRO 462 Ca -0.11 0.86 -0.24 0.00 0.04 0.00 0.00 61.00 61.55 3fy0 s PRO 462 Cb -0.03 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 3fy0 s PRO 462 CO 0.03 -1.79 1.29 -2.14 0.04 0.00 0.00 177.00 174.44 3fy0 s PRO 463 N -5.00 3.65 -1.01 0.56 0.02 -1.26 -3.20 135.00 128.75 3fy0 s PRO 463 Ca 0.61 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.73 3fy0 s PRO 463 Cb -0.16 -2.51 0.00 0.00 0.02 0.00 0.00 34.50 31.85 3fy0 s PRO 463 CO 0.56 -0.74 0.00 0.66 -0.33 0.00 0.00 177.00 177.15 3fy0 n TYR 464 N -0.40 0.00 -0.31 6.54 0.53 -1.26 -4.91 117.16 117.35 3fy0 n TYR 464 Ca 0.07 0.00 0.10 0.00 -1.02 0.00 0.00 57.90 57.04 3fy0 n TYR 464 Cb 0.45 -1.90 0.26 0.00 -1.03 0.00 0.00 39.34 37.12 3fy0 n TYR 464 CO 0.00 0.00 0.00 1.25 -1.02 0.00 0.00 176.86 177.09 3fy0 h LEU 465 N 0.00 0.58 -0.55 7.72 5.85 -1.94 -1.13 115.31 125.84 3fy0 h LEU 465 Ca -0.19 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3fy0 h LEU 465 Cb 0.66 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3fy0 h LEU 465 CO 0.28 0.21 0.00 0.59 -0.34 0.00 0.00 178.44 179.19 3fy0 n ASN 466 N -4.86 0.80 -4.93 1.25 3.02 -1.26 -4.81 115.26 104.47 3fy0 n ASN 466 Ca 0.20 -1.98 -0.26 0.00 -0.03 0.00 0.00 54.58 52.50 3fy0 n ASN 466 Cb 0.50 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.55 3fy0 n ASN 466 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3fy0 s GLU 467 N -1.80 3.52 0.29 3.52 0.41 -0.43 -5.07 118.70 119.14 3fy0 s GLU 467 Ca 0.11 -0.35 -0.30 0.00 -0.41 0.00 0.00 54.97 54.03 3fy0 s GLU 467 Cb 0.06 -2.81 -0.13 0.00 -1.78 0.00 0.00 34.13 29.47 3fy0 s GLU 467 CO 0.08 0.36 1.37 -1.71 -0.49 0.00 0.00 175.26 174.86 3fy0 n ASN 468 N -0.88 2.84 -0.18 -0.19 2.85 -1.26 -4.83 115.26 113.60 3fy0 n ASN 468 Ca -0.05 1.17 0.15 0.00 -0.11 0.00 0.00 54.58 55.75 3fy0 n ASN 468 Cb 0.54 -1.47 0.49 0.00 1.24 0.00 0.00 39.78 40.59 3fy0 n ASN 468 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3fy0 h PRO 469 N 3.50 0.43 -0.63 1.20 0.11 -1.93 -1.11 132.00 133.57 3fy0 h PRO 469 Ca -0.46 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 3fy0 h PRO 469 Cb 1.27 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3fy0 h PRO 469 CO 0.70 0.28 0.06 -0.07 -0.21 0.00 0.00 178.00 178.76 3fy0 h LEU 470 N 0.44 1.04 -0.37 2.35 3.38 -2.02 -3.02 115.31 117.11 3fy0 h LEU 470 Ca 0.39 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 3fy0 h LEU 470 Cb 0.86 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3fy0 h LEU 470 CO -0.13 1.05 -0.45 -0.09 0.09 0.00 0.00 178.44 178.92 3fy0 h ARG 471 N 0.99 0.00 -0.48 1.13 2.43 -1.61 -3.29 114.38 113.55 3fy0 h ARG 471 Ca 0.19 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3fy0 h ARG 471 Cb 0.49 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 3fy0 h ARG 471 CO 0.02 0.45 0.22 0.00 -1.51 0.00 0.00 179.97 179.15 3fy0 h ALA 472 N 1.55 0.62 -0.22 2.80 0.00 -1.19 -1.53 119.26 121.30 3fy0 h ALA 472 Ca -0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3fy0 h ALA 472 Cb 1.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3fy0 h ALA 472 CO 0.06 0.20 -0.15 -0.07 0.00 0.00 0.00 179.25 179.29 3fy0 h LEU 473 N 0.63 0.35 -0.51 0.00 3.38 -1.62 0.27 115.31 117.82 3fy0 h LEU 473 Ca 0.16 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 3fy0 h LEU 473 Cb 0.14 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3fy0 h LEU 473 CO -0.02 0.53 -0.14 0.22 0.09 0.00 0.00 178.44 179.13 3fy0 h TYR 474 N 0.34 1.12 -0.18 1.13 3.20 -1.59 -1.87 116.97 119.13 3fy0 h TYR 474 Ca 0.06 -0.25 -0.07 0.00 3.14 0.00 0.00 58.73 61.62 3fy0 h TYR 474 Cb 0.47 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 3fy0 h TYR 474 CO 0.01 1.06 -0.17 -0.07 -1.64 0.00 0.00 178.16 177.35 3fy0 h LEU 475 N 0.86 0.46 0.01 2.82 3.38 -0.47 -1.41 115.31 120.96 3fy0 h LEU 475 Ca 0.13 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 57.66 3fy0 h LEU 475 Cb 0.70 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 3fy0 h LEU 475 CO 0.05 0.84 -0.34 0.40 0.09 0.00 0.00 178.44 179.48 3fy0 h ILE 476 N 0.09 0.27 -0.46 1.22 2.04 -0.55 0.22 117.51 120.33 3fy0 h ILE 476 Ca 0.03 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.01 3fy0 h ILE 476 Cb 0.70 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3fy0 h ILE 476 CO 0.04 0.00 0.32 0.00 0.00 0.00 0.00 178.15 178.52 3fy0 h ALA 477 N 0.18 2.31 0.00 1.87 0.00 -1.28 0.38 119.26 122.71 3fy0 h ALA 477 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fy0 h ALA 477 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3fy0 h ALA 477 CO -0.27 -0.43 -1.57 0.25 0.00 0.00 0.00 179.25 177.22 3fy0 n THR 478 N -4.43 0.00 -0.02 0.00 -2.24 -0.54 -4.48 114.28 102.57 3fy0 n THR 478 Ca 0.08 -0.32 0.07 0.00 -2.27 0.00 0.00 64.05 61.60 3fy0 n THR 478 Cb 0.47 0.25 -0.16 0.00 -2.10 0.00 0.00 70.33 68.80 3fy0 n THR 478 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3fy0 n ASN 479 N -1.94 0.06 0.00 3.42 4.13 0.74 -5.07 115.26 116.60 3fy0 n ASN 479 Ca -0.02 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3fy0 n ASN 479 Cb 0.37 1.70 0.00 0.00 -1.54 0.00 0.00 39.78 40.31 3fy0 n ASN 479 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3fy0 n GLY 480 N 1.35 3.09 3.64 7.41 0.00 0.11 -4.72 105.19 116.08 3fy0 n GLY 480 Ca -0.09 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 3fy0 n GLY 480 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fy0 s THR 481 N 0.00 3.29 0.57 2.61 2.01 -1.26 -4.88 115.64 117.98 3fy0 s THR 481 Ca 0.00 0.34 -0.19 0.00 0.31 0.00 0.00 61.69 62.14 3fy0 s THR 481 Cb 0.00 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 3fy0 s THR 481 CO 0.00 -0.09 1.20 -2.16 -0.69 0.00 0.00 174.62 172.88 3fy0 s PRO 482 N 4.85 3.13 0.05 4.92 0.04 -1.26 -5.00 135.00 141.73 3fy0 s PRO 482 Ca 0.84 1.80 -0.08 0.00 0.04 0.00 0.00 61.00 63.60 3fy0 s PRO 482 Cb -0.34 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 3fy0 s PRO 482 CO 0.35 -1.08 0.34 -2.00 0.04 0.00 0.00 177.00 174.66 3fy0 s GLU 483 N -3.24 3.68 0.17 4.56 2.56 -1.26 -5.08 118.70 120.08 3fy0 s GLU 483 Ca 0.75 0.05 -0.24 0.00 0.00 0.00 0.00 54.97 55.53 3fy0 s GLU 483 Cb -0.29 -3.02 -0.08 0.00 2.00 0.00 0.00 34.13 32.73 3fy0 s GLU 483 CO 0.33 0.59 0.76 -0.51 -0.56 0.00 0.00 175.26 175.87 3fy0 s LEU 484 N -1.90 4.56 0.16 2.70 2.01 -1.26 -5.00 118.68 119.96 3fy0 s LEU 484 Ca 0.31 1.60 -0.16 0.00 0.01 0.00 0.00 54.13 55.90 3fy0 s LEU 484 Cb -0.14 -3.30 0.10 0.00 0.01 0.00 0.00 46.19 42.86 3fy0 s LEU 484 CO 0.18 0.19 1.71 0.06 1.01 0.00 0.00 176.35 179.50 3fy0 h GLN 485 N 4.23 0.14 -2.45 1.70 3.07 -2.02 -3.37 115.11 116.41 3fy0 h GLN 485 Ca -0.47 -0.01 -0.59 0.00 0.09 0.00 0.00 58.65 57.67 3fy0 h GLN 485 Cb 1.21 -0.03 -0.39 0.00 0.08 0.00 0.00 27.48 28.34 3fy0 h GLN 485 CO 0.66 0.09 -0.87 0.09 0.09 0.00 0.00 178.83 178.89 3fy0 n ASN 486 N -5.15 0.83 0.14 0.06 4.13 -1.26 -4.98 115.26 109.04 3fy0 n ASN 486 Ca 0.02 -2.72 0.02 0.00 1.68 0.00 0.00 54.58 53.59 3fy0 n ASN 486 Cb 0.19 -0.63 0.38 0.00 -1.54 0.00 0.00 39.78 38.19 3fy0 n ASN 486 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 3fy0 h PRO 487 N 5.15 0.16 0.00 3.52 0.11 -1.97 -2.57 132.00 136.40 3fy0 h PRO 487 Ca 0.20 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3fy0 h PRO 487 Cb 0.85 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3fy0 h PRO 487 CO 0.51 0.37 0.00 1.05 -0.21 0.00 0.00 178.00 179.72 3fy0 h GLU 488 N 0.15 0.00 0.00 1.05 9.09 -1.96 -2.17 114.58 120.74 3fy0 h GLU 488 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.44 3fy0 h GLU 488 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.57 3fy0 h GLU 488 CO 0.03 0.00 0.00 0.87 0.05 0.00 0.00 179.01 179.96 3fy0 h LYS 489 N 0.00 0.00 -6.29 1.06 1.57 -1.90 -3.45 116.57 107.56 3fy0 h LYS 489 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 3fy0 h LYS 489 Cb 0.16 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 3fy0 h LYS 489 CO 0.00 0.00 -0.04 -0.51 -0.57 0.00 0.00 179.45 178.33 3fy0 s LEU 490 N -5.69 4.46 0.87 2.94 1.43 -0.82 -5.08 118.68 116.80 3fy0 s LEU 490 Ca 0.07 1.22 -0.13 0.00 -1.03 0.00 0.00 54.13 54.26 3fy0 s LEU 490 Cb 0.08 -3.06 0.04 0.00 0.03 0.00 0.00 46.19 43.28 3fy0 s LEU 490 CO 0.62 0.21 0.70 -1.54 0.23 0.00 0.00 176.35 176.57 3fy0 n SER 491 N 1.38 -0.91 -0.06 2.29 3.41 -1.26 -4.81 113.62 113.66 3fy0 n SER 491 Ca -0.08 0.45 -0.00 0.00 -0.26 0.00 0.00 58.87 58.98 3fy0 n SER 491 Cb 0.51 -1.31 0.28 0.00 -0.26 0.00 0.00 64.21 63.43 3fy0 n SER 491 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fy0 h ALA 492 N -1.21 1.40 0.01 7.33 0.00 -1.97 -2.30 119.26 122.52 3fy0 h ALA 492 Ca -0.44 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.12 3fy0 h ALA 492 Cb 1.30 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3fy0 h ALA 492 CO 0.39 0.44 -0.88 0.97 0.00 0.00 0.00 179.25 180.17 3fy0 h ILE 493 N 0.66 1.57 0.03 0.00 6.09 -1.99 -0.99 117.51 122.87 3fy0 h ILE 493 Ca 0.16 -2.83 -0.00 0.00 -1.37 0.00 0.00 64.86 60.81 3fy0 h ILE 493 Cb 0.19 2.56 0.00 0.00 0.47 0.00 0.00 36.82 40.05 3fy0 h ILE 493 CO -0.01 0.82 -0.01 0.15 -3.07 0.00 0.00 178.15 176.02 3fy0 h PHE 494 N 0.04 -0.04 -0.98 2.19 3.57 -1.90 -1.07 116.94 118.75 3fy0 h PHE 494 Ca -0.03 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.61 3fy0 h PHE 494 Cb 1.54 0.01 -0.09 0.00 2.79 0.00 0.00 35.95 40.20 3fy0 h PHE 494 CO 0.01 0.22 0.60 0.00 -2.23 0.00 0.00 178.31 176.91 3fy0 h ARG 495 N -0.28 0.88 -0.16 1.11 3.08 -1.30 -1.06 114.38 116.63 3fy0 h ARG 495 Ca -0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3fy0 h ARG 495 Cb 0.27 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3fy0 h ARG 495 CO 0.01 0.58 0.07 0.22 -1.07 0.00 0.00 179.97 179.77 3fy0 h ASP 496 N 0.90 0.22 -0.68 7.04 3.58 -1.03 -0.38 116.42 126.07 3fy0 h ASP 496 Ca 0.51 -0.16 0.08 0.00 0.42 0.00 0.00 57.03 57.88 3fy0 h ASP 496 Cb 0.59 -0.06 -0.07 0.00 1.72 0.00 0.00 39.33 41.52 3fy0 h ASP 496 CO -0.30 0.32 0.35 0.15 -2.88 0.00 0.00 179.24 176.88 3fy0 h PHE 497 N 0.11 0.63 -0.18 0.28 3.57 -0.72 -0.30 116.94 120.33 3fy0 h PHE 497 Ca 0.05 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3fy0 h PHE 497 Cb 0.17 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3fy0 h PHE 497 CO -0.01 0.25 0.10 -0.07 -2.23 0.00 0.00 178.31 176.34 3fy0 h LEU 498 N 0.61 0.22 -1.33 0.59 3.38 -0.93 -1.28 115.31 116.58 3fy0 h LEU 498 Ca 0.33 -0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.33 3fy0 h LEU 498 Cb 0.30 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 3fy0 h LEU 498 CO -0.24 0.24 0.54 0.78 0.09 0.00 0.00 178.44 179.86 3fy0 h ASN 499 N 0.18 0.65 0.32 -0.43 2.35 -0.62 -0.28 115.58 117.75 3fy0 h ASN 499 Ca 0.06 0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 55.70 3fy0 h ASN 499 Cb 0.07 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3fy0 h ASN 499 CO -0.01 0.36 -0.58 0.03 -1.65 0.00 0.00 177.43 175.58 3fy0 h ARG 500 N 0.71 0.27 0.02 0.81 2.47 -0.59 -2.55 114.38 115.52 3fy0 h ARG 500 Ca 0.40 -0.18 -0.23 0.00 -1.26 0.00 0.00 59.98 58.72 3fy0 h ARG 500 Cb 0.58 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 3fy0 h ARG 500 CO -0.17 0.77 -0.97 0.00 0.56 0.00 0.00 179.97 180.17 3fy0 n LEU 502 N -3.70 4.64 -4.75 0.00 4.77 -0.18 -3.36 117.00 114.42 3fy0 n LEU 502 Ca -0.06 -3.09 -0.41 0.00 -0.03 0.00 0.00 56.01 52.41 3fy0 n LEU 502 Cb 0.85 -0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 3fy0 n LEU 502 CO 0.51 0.73 1.20 -0.70 -1.33 0.00 0.00 177.39 177.80 3fy0 s GLU 503 N -2.88 4.16 0.12 3.23 2.56 -0.96 -4.54 118.70 120.39 3fy0 s GLU 503 Ca 0.47 2.50 -0.06 0.00 0.00 0.00 0.00 54.97 57.89 3fy0 s GLU 503 Cb 0.38 -3.04 -0.11 0.00 2.00 0.00 0.00 34.13 33.36 3fy0 s GLU 503 CO 0.10 -0.57 1.30 0.52 -0.56 0.00 0.00 175.26 176.05 3fy0 h MET 504 N 4.82 0.46 -6.66 4.30 2.86 -1.94 -3.42 114.93 115.36 3fy0 h MET 504 Ca -0.47 -0.48 -0.56 0.00 -2.06 0.00 0.00 59.70 56.12 3fy0 h MET 504 Cb 1.22 0.13 -0.07 0.00 0.06 0.00 0.00 31.60 32.95 3fy0 h MET 504 CO 0.78 1.13 0.94 0.34 1.06 0.00 0.00 176.91 181.16 3fy0 s ASP 505 N -7.10 6.63 0.22 1.22 -1.08 -1.26 -4.92 116.67 110.37 3fy0 s ASP 505 Ca -0.06 0.56 -0.09 0.00 -0.52 0.00 0.00 52.55 52.44 3fy0 s ASP 505 Cb 0.09 -2.55 0.32 0.00 -1.46 0.00 0.00 42.92 39.32 3fy0 s ASP 505 CO 0.87 -1.24 1.72 0.58 0.52 0.00 0.00 175.17 177.62 3fy0 h VAL 506 N 6.22 0.68 -0.92 1.11 2.07 -1.93 0.21 116.25 123.68 3fy0 h VAL 506 Ca -0.23 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.24 3fy0 h VAL 506 Cb 1.07 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 3fy0 h VAL 506 CO 1.12 0.06 0.58 -0.08 0.02 0.00 0.00 177.57 179.26 3fy0 h GLU 507 N 0.34 0.99 -0.11 1.57 4.57 -1.97 -2.48 114.58 117.49 3fy0 h GLU 507 Ca 0.33 -0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 58.30 3fy0 h GLU 507 Cb 0.47 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3fy0 h GLU 507 CO -0.37 0.66 -0.59 0.87 -1.18 0.00 0.00 179.01 178.39 3fy0 h LYS 508 N 1.02 0.37 -6.71 1.92 1.57 -1.52 -3.45 116.57 109.77 3fy0 h LYS 508 Ca 0.41 -0.25 -0.56 0.00 -1.87 0.00 0.00 60.65 58.38 3fy0 h LYS 508 Cb 0.23 0.03 0.09 0.00 0.08 0.00 0.00 32.23 32.66 3fy0 h LYS 508 CO -0.19 0.85 0.71 -2.13 -0.57 0.00 0.00 179.45 178.12 3fy0 n ARG 509 N -3.91 2.34 -2.02 3.15 0.63 0.57 -4.92 116.66 112.50 3fy0 n ARG 509 Ca -0.03 0.83 -0.38 0.00 -0.92 0.00 0.00 57.85 57.35 3fy0 n ARG 509 Cb 0.62 -2.53 0.01 0.00 0.45 0.00 0.00 32.46 31.01 3fy0 n ARG 509 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3fy0 s GLY 510 N 0.26 2.86 0.75 5.14 0.00 -0.85 -4.96 107.32 110.51 3fy0 s GLY 510 Ca 0.64 1.16 -0.10 0.00 0.00 0.00 0.00 44.72 46.43 3fy0 s GLY 510 CO 0.52 1.68 1.10 -1.35 0.00 0.00 0.00 173.10 175.04 3fy0 s SER 511 N -1.04 4.73 0.13 1.64 1.04 -1.26 -4.90 113.70 114.04 3fy0 s SER 511 Ca 0.65 0.66 -0.18 0.00 0.48 0.00 0.00 55.95 57.56 3fy0 s SER 511 Cb -0.35 -1.26 -0.03 0.00 0.10 0.00 0.00 66.02 64.48 3fy0 s SER 511 CO 0.43 -1.72 1.76 0.00 0.98 0.00 0.00 173.24 174.70 3fy0 h ALA 512 N -0.81 0.40 -0.81 5.32 0.00 -1.93 -1.34 119.26 120.08 3fy0 h ALA 512 Ca -0.45 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.53 3fy0 h ALA 512 Cb 1.32 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 3fy0 h ALA 512 CO 0.63 -0.10 0.42 -0.22 0.00 0.00 0.00 179.25 179.98 3fy0 h LYS 513 N 0.41 0.63 -0.25 0.00 3.64 -1.92 -0.80 116.57 118.27 3fy0 h LYS 513 Ca 0.11 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 3fy0 h LYS 513 Cb 0.01 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3fy0 h LYS 513 CO -0.02 0.42 -0.28 0.93 -2.27 0.00 0.00 179.45 178.23 3fy0 h GLU 514 N 0.65 0.63 0.00 1.90 5.08 -1.90 -3.25 114.58 117.68 3fy0 h GLU 514 Ca 0.42 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3fy0 h GLU 514 Cb 0.53 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3fy0 h GLU 514 CO -0.32 0.95 -0.31 -0.07 -1.00 0.00 0.00 179.01 178.26 3fy0 h LEU 515 N 0.34 0.00 -2.70 1.33 3.38 -0.83 -1.76 115.31 115.07 3fy0 h LEU 515 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3fy0 h LEU 515 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3fy0 h LEU 515 CO 0.07 0.31 0.00 -0.07 0.09 0.00 0.00 178.44 178.83 3fy0 h LEU 516 N 0.00 0.00 -0.13 1.67 3.38 -1.19 -1.12 115.31 117.92 3fy0 h LEU 516 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fy0 h LEU 516 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3fy0 h LEU 516 CO 0.04 0.00 -0.39 0.00 0.09 0.00 0.00 178.44 178.18 3fy0 n GLN 517 N -2.95 0.24 -2.24 1.13 1.13 -0.66 -4.97 117.38 109.06 3fy0 n GLN 517 Ca -0.03 -0.13 -0.41 0.00 -1.94 0.00 0.00 57.00 54.50 3fy0 n GLN 517 Cb 0.07 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.90 3fy0 n GLN 517 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3fy0 s HIS 518 N -2.85 3.23 0.13 1.08 2.46 -0.43 -4.91 115.29 114.00 3fy0 s HIS 518 Ca 0.15 1.50 0.34 0.00 0.47 0.00 0.00 55.06 57.53 3fy0 s HIS 518 Cb 0.18 -3.55 1.54 0.00 -0.13 0.00 0.00 32.58 30.62 3fy0 s HIS 518 CO 0.63 -1.43 2.02 1.96 -2.47 0.00 0.00 174.74 175.46 3fy0 h GLN 519 N 3.62 0.00 -0.98 2.88 4.20 -1.93 -2.47 115.11 120.42 3fy0 h GLN 519 Ca -0.48 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.27 3fy0 h GLN 519 Cb 1.22 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.94 3fy0 h GLN 519 CO 0.66 0.00 0.64 0.35 -0.67 0.00 0.00 178.83 179.82 3fy0 h PHE 520 N 0.00 1.20 0.00 2.96 3.57 -1.91 -2.01 116.94 120.75 3fy0 h PHE 520 Ca 0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3fy0 h PHE 520 Cb 0.37 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 3fy0 h PHE 520 CO 0.00 0.68 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.56 3fy0 h LEU 521 N 1.23 0.00 0.00 0.59 3.38 -1.76 -2.71 115.31 116.04 3fy0 h LEU 521 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3fy0 h LEU 521 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3fy0 h LEU 521 CO -0.13 0.13 0.00 0.29 0.09 0.00 0.00 178.44 178.83 3fy0 n LYS 522 N -3.37 0.13 -0.02 1.13 5.02 -0.76 -1.62 118.16 118.68 3fy0 n LYS 522 Ca -0.00 0.14 0.13 0.00 -2.02 0.00 0.00 58.31 56.55 3fy0 n LYS 522 Cb 0.33 -1.50 0.45 0.00 -0.02 0.00 0.00 35.03 34.29 3fy0 n LYS 522 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3fy0 n ILE 523 N -1.40 0.05 -1.55 -0.18 -5.35 -1.02 -4.97 119.36 104.94 3fy0 n ILE 523 Ca 0.07 -0.31 -0.52 0.00 -0.27 0.00 0.00 62.75 61.72 3fy0 n ILE 523 Cb 0.19 0.58 -0.05 0.00 -1.74 0.00 0.00 39.64 38.62 3fy0 n ILE 523 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fy0 n ALA 524 N 0.35 -1.62 -1.97 -1.28 0.00 -0.64 -4.52 120.51 110.82 3fy0 n ALA 524 Ca 0.18 0.51 -0.31 0.00 0.00 0.00 0.00 53.44 53.82 3fy0 n ALA 524 Cb 0.38 -1.96 -0.01 0.00 0.00 0.00 0.00 19.45 17.86 3fy0 n ALA 524 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3fy0 s LYS 525 N -0.05 3.71 0.20 0.00 1.02 0.35 -4.90 119.74 120.07 3fy0 s LYS 525 Ca 0.80 0.67 -0.31 0.00 0.02 0.00 0.00 55.97 57.16 3fy0 s LYS 525 Cb -0.98 -2.19 -0.16 0.00 -0.52 0.00 0.00 37.83 33.98 3fy0 s LYS 525 CO 0.52 -0.35 1.03 -2.30 -0.92 0.00 0.00 175.35 173.32 3fy0 n PRO 526 N -2.14 1.01 -0.36 -1.68 -0.02 -1.26 -4.68 135.00 125.86 3fy0 n PRO 526 Ca 0.05 0.36 0.36 0.00 -2.02 0.00 0.00 63.50 62.24 3fy0 n PRO 526 Cb 0.54 -1.75 0.73 0.00 -0.02 0.00 0.00 33.50 33.00 3fy0 n PRO 526 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3fy0 h LEU 527 N 2.62 0.05 -2.13 2.45 3.38 -1.90 0.24 115.31 120.02 3fy0 h LEU 527 Ca -0.40 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 3fy0 h LEU 527 Cb 1.36 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 3fy0 h LEU 527 CO 0.65 0.00 -0.05 0.77 0.09 0.00 0.00 178.44 179.90 3fy0 h SER 528 N 0.04 0.00 0.17 -0.43 4.64 -1.87 -1.40 113.55 114.70 3fy0 h SER 528 Ca 0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.93 3fy0 h SER 528 Cb 2.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.44 3fy0 h SER 528 CO -0.05 0.05 0.00 0.77 -0.87 0.00 0.00 176.83 176.74 3fy0 h SER 529 N 0.00 0.00 1.63 4.97 4.64 -1.28 -1.91 113.55 121.60 3fy0 h SER 529 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3fy0 h SER 529 Cb 0.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3fy0 h SER 529 CO 0.01 0.00 -0.12 -0.07 -0.87 0.00 0.00 176.83 175.78 3fy0 h LEU 530 N 0.00 0.00 -0.65 5.97 3.38 -1.43 -3.39 115.31 119.19 3fy0 h LEU 530 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3fy0 h LEU 530 Cb 0.08 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 3fy0 h LEU 530 CO 0.00 0.12 0.35 0.74 0.09 0.00 0.00 178.44 179.74 3fy0 h THR 531 N 0.00 0.95 -0.11 0.22 2.02 -1.50 -0.90 112.91 113.58 3fy0 h THR 531 Ca -0.00 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 3fy0 h THR 531 Cb 0.97 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3fy0 h THR 531 CO 0.02 0.12 -0.14 -0.65 0.37 0.00 0.00 175.52 175.24 3fy0 h PRO 532 N 0.65 0.17 -0.28 6.66 0.11 -1.80 -0.50 132.00 137.01 3fy0 h PRO 532 Ca 0.30 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.21 3fy0 h PRO 532 Cb 0.21 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 3fy0 h PRO 532 CO -0.19 0.32 -0.43 -0.07 -0.21 0.00 0.00 178.00 177.42 3fy0 h LEU 533 N 0.17 0.86 -0.21 2.35 3.38 -1.65 -0.92 115.31 119.30 3fy0 h LEU 533 Ca 0.03 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3fy0 h LEU 533 Cb 0.35 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3fy0 h LEU 533 CO 0.02 1.21 0.13 0.40 0.09 0.00 0.00 178.44 180.29 3fy0 h ILE 534 N 0.54 1.07 -0.42 1.22 2.04 -0.98 -0.41 117.51 120.58 3fy0 h ILE 534 Ca 0.03 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 3fy0 h ILE 534 Cb 1.02 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3fy0 h ILE 534 CO 0.10 0.07 0.25 0.00 0.00 0.00 0.00 178.15 178.57 3fy0 h ALA 535 N 1.05 0.53 -0.41 1.87 0.00 -1.03 -0.92 119.26 120.34 3fy0 h ALA 535 Ca 0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3fy0 h ALA 535 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3fy0 h ALA 535 CO -0.01 0.02 0.07 0.00 0.00 0.00 0.00 179.25 179.33 3fy0 h ALA 536 N 1.12 0.55 -0.64 0.00 0.00 -1.06 -0.87 119.26 118.36 3fy0 h ALA 536 Ca 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3fy0 h ALA 536 Cb -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3fy0 h ALA 536 CO -0.03 0.26 0.35 0.00 0.00 0.00 0.00 179.25 179.83 3fy0 h ALA 537 N 0.93 1.42 -0.04 0.00 0.00 -0.93 0.10 119.26 120.75 3fy0 h ALA 537 Ca 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3fy0 h ALA 537 Cb 0.37 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3fy0 h ALA 537 CO 0.01 0.48 -0.04 -0.22 0.00 0.00 0.00 179.25 179.48 3fy0 h LYS 538 N 0.89 0.09 -0.47 0.00 3.64 -0.90 0.13 116.57 119.95 3fy0 h LYS 538 Ca 0.23 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.64 3fy0 h LYS 538 Cb 0.02 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.77 3fy0 h LYS 538 CO -0.04 0.56 0.07 1.49 -2.27 0.00 0.00 179.45 179.26 3fy0 h GLU 539 N -0.38 0.19 0.00 1.90 4.57 -1.07 -1.95 114.58 117.85 3fy0 h GLU 539 Ca 0.01 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 3fy0 h GLU 539 Cb 0.54 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 3fy0 h GLU 539 CO 0.01 0.13 -0.27 0.00 -1.18 0.00 0.00 179.01 177.69 3fy0 h ALA 540 N 1.38 1.21 0.00 2.92 0.00 -0.85 -3.51 119.26 120.40 3fy0 h ALA 540 Ca 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fy0 h ALA 540 Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3fy0 h ALA 540 CO -0.33 0.34 0.00 2.41 0.00 0.00 0.00 179.25 181.67