#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx0 s THR 250 N 0.00 -0.03 -0.53 0.00 2.01 -1.26 -5.10 115.64 110.73 3hx0 s THR 250 Ca 0.00 0.09 -0.28 0.00 0.31 0.00 0.00 61.69 61.82 3hx0 s THR 250 Cb 0.00 -0.06 0.00 0.00 0.01 0.00 0.00 72.50 72.45 3hx0 s THR 250 CO 0.00 0.04 1.52 0.21 -0.69 0.00 0.00 174.62 175.70 3hx0 s ASN 251 N 0.48 6.00 0.00 3.53 2.47 -1.26 -4.83 114.94 121.32 3hx0 s ASN 251 Ca -0.04 0.46 0.22 0.00 0.42 0.00 0.00 52.86 53.92 3hx0 s ASN 251 Cb -0.06 -2.54 1.19 0.00 -1.45 0.00 0.00 41.25 38.39 3hx0 s ASN 251 CO -0.01 -1.78 1.78 1.41 -3.72 0.00 0.00 177.10 174.77 3hx0 n HIS 252 N 10.05 0.03 -1.49 0.43 8.25 -1.26 -3.35 115.22 127.88 3hx0 n HIS 252 Ca 0.15 -0.02 0.01 0.00 -0.26 0.00 0.00 57.72 57.60 3hx0 n HIS 252 Cb 0.49 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.81 3hx0 n HIS 252 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3hx0 n ASN 253 N -0.62 2.18 -0.11 0.41 3.02 -1.26 -4.52 115.26 114.36 3hx0 n ASN 253 Ca 0.16 -3.80 0.25 0.00 -0.03 0.00 0.00 54.58 51.17 3hx0 n ASN 253 Cb 0.12 -0.58 0.71 0.00 -0.61 0.00 0.00 39.78 39.42 3hx0 n ASN 253 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3hx0 h LEU 254 N 0.99 0.00 0.00 3.41 5.85 -1.98 0.50 115.31 124.08 3hx0 h LEU 254 Ca 0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3hx0 h LEU 254 Cb 1.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.40 3hx0 h LEU 254 CO 0.21 0.00 -0.22 1.12 -0.34 0.00 0.00 178.44 179.21 3hx0 h HIS 255 N 0.00 0.00 0.00 1.25 2.07 -1.91 -2.93 115.15 113.63 3hx0 h HIS 255 Ca 0.36 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.88 3hx0 h HIS 255 Cb 1.45 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.43 3hx0 h HIS 255 CO 0.00 0.00 -0.51 -0.89 -3.07 0.00 0.00 177.93 173.46 3hx0 n ILE 256 N -2.31 0.97 -0.31 6.12 5.41 0.15 -4.31 119.36 125.08 3hx0 n ILE 256 Ca 0.05 0.29 0.12 0.00 1.00 0.00 0.00 62.75 64.20 3hx0 n ILE 256 Cb 0.45 -2.08 0.29 0.00 -0.71 0.00 0.00 39.64 37.59 3hx0 n ILE 256 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3hx0 h THR 257 N -0.66 0.56 -0.53 1.39 1.35 -0.91 -2.04 112.91 112.07 3hx0 h THR 257 Ca 0.00 -0.17 0.06 0.00 -0.55 0.00 0.00 66.41 65.75 3hx0 h THR 257 Cb 0.51 0.03 -0.09 0.00 -1.73 0.00 0.00 68.15 66.86 3hx0 h THR 257 CO 0.00 0.09 -0.53 -0.08 -0.25 0.00 0.00 175.52 174.75 3hx0 h GLU 258 N 0.50 -0.29 0.00 4.72 4.81 -1.69 0.55 114.58 123.17 3hx0 h GLU 258 Ca 0.54 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.72 3hx0 h GLU 258 Cb 0.95 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 3hx0 h GLU 258 CO -0.47 -0.19 -0.33 0.87 -0.73 0.00 0.00 179.01 178.15 3hx0 h LYS 259 N -0.30 0.00 0.13 1.92 1.57 -1.58 -2.95 116.57 115.35 3hx0 h LYS 259 Ca 0.11 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3hx0 h LYS 259 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3hx0 h LYS 259 CO -0.67 0.33 -0.06 -0.07 -0.57 0.00 0.00 179.45 178.42 3hx0 h LEU 260 N 0.00 -0.15 -2.13 2.94 3.38 -0.26 -2.64 115.31 116.46 3hx0 h LEU 260 Ca -0.00 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.71 3hx0 h LEU 260 Cb 0.61 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3hx0 h LEU 260 CO 0.04 0.27 0.19 -0.33 0.09 0.00 0.00 178.44 178.70 3hx0 h GLU 261 N -0.59 0.00 -0.03 1.13 5.08 0.02 0.48 114.58 120.67 3hx0 h GLU 261 Ca -0.02 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 3hx0 h GLU 261 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3hx0 h GLU 261 CO 0.03 0.00 -0.70 0.28 -1.00 0.00 0.00 179.01 177.61 3hx0 h VAL 262 N 0.00 1.44 0.21 3.13 2.07 -1.40 -1.08 116.25 120.62 3hx0 h VAL 262 Ca 0.11 -2.25 -0.32 0.00 0.82 0.00 0.00 66.70 65.05 3hx0 h VAL 262 Cb 0.49 2.20 0.03 0.00 -1.52 0.00 0.00 31.29 32.49 3hx0 h VAL 262 CO -0.00 0.66 -1.40 0.25 0.02 0.00 0.00 177.57 177.10 3hx0 h LEU 263 N 0.12 0.80 0.97 2.57 5.85 -0.26 -2.89 115.31 122.47 3hx0 h LEU 263 Ca -0.02 -0.83 -0.05 0.00 0.84 0.00 0.00 57.88 57.83 3hx0 h LEU 263 Cb 1.25 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 42.03 3hx0 h LEU 263 CO 0.10 1.64 -0.46 0.00 -0.34 0.00 0.00 178.44 179.38 3hx0 h ALA 264 N 0.25 -1.32 -0.82 1.25 0.00 -0.16 -1.42 119.26 117.04 3hx0 h ALA 264 Ca -0.22 -0.28 0.18 0.00 0.00 0.00 0.00 54.91 54.58 3hx0 h ALA 264 Cb 2.09 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 20.32 3hx0 h ALA 264 CO 0.26 -1.23 0.55 0.87 0.00 0.00 0.00 179.25 179.70 3hx0 h LYS 265 N -1.32 0.37 0.00 0.00 1.57 -1.33 0.75 116.57 116.60 3hx0 h LYS 265 Ca -0.13 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 3hx0 h LYS 265 Cb 0.99 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 3hx0 h LYS 265 CO 0.22 0.24 -0.22 0.00 -0.57 0.00 0.00 179.45 179.12 3hx0 h ALA 266 N 1.63 1.16 0.00 3.86 0.00 -1.24 -2.43 119.26 122.24 3hx0 h ALA 266 Ca 0.41 -0.20 -0.26 0.00 0.00 0.00 0.00 54.91 54.86 3hx0 h ALA 266 Cb 1.04 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3hx0 h ALA 266 CO -0.14 0.28 -1.51 1.88 0.00 0.00 0.00 179.25 179.77 3hx0 h TYR 267 N 0.00 0.00 0.00 0.00 0.05 0.14 -3.29 116.97 113.87 3hx0 h TYR 267 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3hx0 h TYR 267 Cb 0.60 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.34 3hx0 h TYR 267 CO 0.00 0.96 0.00 0.45 -1.05 0.00 0.00 178.16 178.52 3hx0 n SER 268 N -3.10 0.00 0.06 3.88 2.88 0.66 -1.54 113.62 116.46 3hx0 n SER 268 Ca -0.12 0.87 0.04 0.00 -1.33 0.00 0.00 58.87 58.33 3hx0 n SER 268 Cb 1.00 -0.46 0.21 0.00 -0.75 0.00 0.00 64.21 64.22 3hx0 n SER 268 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3hx0 n VAL 269 N -1.87 1.46 1.42 2.46 0.24 -0.99 -0.74 118.33 120.31 3hx0 n VAL 269 Ca 0.00 0.60 0.14 0.00 -2.04 0.00 0.00 64.34 63.03 3hx0 n VAL 269 Cb 0.00 -1.60 0.47 0.00 -1.47 0.00 0.00 33.84 31.24 3hx0 n VAL 269 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3hx0 n GLN 270 N -1.75 1.59 0.00 7.34 7.27 -1.17 -4.64 117.38 126.02 3hx0 n GLN 270 Ca -0.01 -0.97 0.00 0.00 0.07 0.00 0.00 57.00 56.10 3hx0 n GLN 270 Cb 0.07 -1.48 0.00 0.00 2.41 0.00 0.00 30.24 31.24 3hx0 n GLN 270 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hx0 n GLY 271 N 1.21 3.24 2.53 1.69 0.00 0.08 -4.97 105.19 108.97 3hx0 n GLY 271 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3hx0 n GLY 271 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hx0 n ASP 272 N 0.00 6.67 -0.26 1.61 -0.08 -0.59 -4.71 116.55 119.20 3hx0 n ASP 272 Ca 0.00 -2.79 0.08 0.00 -1.51 0.00 0.00 54.79 50.56 3hx0 n ASP 272 Cb 0.00 -1.56 0.32 0.00 2.34 0.00 0.00 41.12 42.23 3hx0 n ASP 272 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3hx0 h LYS 273 N 5.36 0.80 -0.11 -0.67 5.09 -1.79 -2.07 116.57 123.17 3hx0 h LYS 273 Ca 0.70 -0.05 -0.15 0.00 0.09 0.00 0.00 60.65 61.24 3hx0 h LYS 273 Cb 0.44 -0.18 -0.01 0.00 0.10 0.00 0.00 32.23 32.58 3hx0 h LYS 273 CO 1.76 0.53 -0.59 -1.49 -2.09 0.00 0.00 179.45 177.58 3hx0 h TRP 274 N 0.82 0.44 -0.17 0.07 -0.00 -1.94 -0.76 115.95 114.42 3hx0 h TRP 274 Ca 0.39 -0.17 -0.19 0.00 -0.00 0.00 0.00 58.89 58.93 3hx0 h TRP 274 Cb 0.42 -0.08 -0.00 0.00 -0.00 0.00 0.00 29.16 29.50 3hx0 h TRP 274 CO -0.00 0.85 -0.65 -0.09 -0.00 0.00 0.00 178.44 178.55 3hx0 h ARG 275 N 0.26 0.64 -0.52 0.49 2.43 -1.84 -2.42 114.38 113.43 3hx0 h ARG 275 Ca -0.00 -0.46 -0.05 0.00 -0.81 0.00 0.00 59.98 58.66 3hx0 h ARG 275 Cb 1.10 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 3hx0 h ARG 275 CO 0.10 1.08 0.13 0.00 -1.51 0.00 0.00 179.97 179.77 3hx0 h ALA 276 N 0.81 0.68 -0.33 2.80 0.00 -1.27 -1.01 119.26 120.95 3hx0 h ALA 276 Ca -0.01 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3hx0 h ALA 276 Cb 1.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3hx0 h ALA 276 CO 0.13 0.38 0.22 0.00 0.00 0.00 0.00 179.25 179.97 3hx0 h ALA 277 N 1.00 1.83 -0.02 0.00 0.00 -1.05 0.82 119.26 121.85 3hx0 h ALA 277 Ca 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hx0 h ALA 277 Cb 0.33 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hx0 h ALA 277 CO 0.00 0.14 -0.00 0.78 0.00 0.00 0.00 179.25 180.17 3hx0 h GLY 278 N 0.39 0.03 0.95 0.00 0.00 -0.78 0.39 103.07 104.04 3hx0 h GLY 278 Ca 0.13 -0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.45 3hx0 h GLY 278 CO -0.03 0.02 0.50 -0.97 0.00 0.00 0.00 176.54 176.07 3hx0 h TYR 279 N -0.34 0.95 -0.29 5.60 -1.99 -0.49 -1.89 116.97 118.51 3hx0 h TYR 279 Ca 0.00 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 3hx0 h TYR 279 Cb 0.39 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 3hx0 h TYR 279 CO 0.06 0.57 0.16 0.00 -0.00 0.00 0.00 178.16 178.95 3hx0 h ALA 280 N 1.30 0.37 -0.84 3.88 0.00 -0.80 0.64 119.26 123.82 3hx0 h ALA 280 Ca 0.29 -0.07 0.18 0.00 0.00 0.00 0.00 54.91 55.32 3hx0 h ALA 280 Cb -0.06 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 17.50 3hx0 h ALA 280 CO -0.08 -0.10 0.34 -0.22 0.00 0.00 0.00 179.25 179.19 3hx0 h LYS 281 N 0.35 0.41 0.07 0.00 3.11 -0.25 0.28 116.57 120.54 3hx0 h LYS 281 Ca 0.10 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.91 3hx0 h LYS 281 Cb 0.06 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.20 3hx0 h LYS 281 CO -0.02 0.27 -0.04 0.00 -2.81 0.00 0.00 179.45 176.86 3hx0 h ALA 282 N 1.64 -0.10 -0.97 5.00 0.00 -0.76 -2.85 119.26 121.22 3hx0 h ALA 282 Ca 0.49 -0.02 0.31 0.00 0.00 0.00 0.00 54.91 55.70 3hx0 h ALA 282 Cb 0.85 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.52 3hx0 h ALA 282 CO -0.48 -0.10 0.33 0.82 0.00 0.00 0.00 179.25 179.82 3hx0 h ILE 283 N -0.99 0.14 -0.31 0.00 2.04 0.43 0.58 117.51 119.39 3hx0 h ILE 283 Ca -0.01 -0.04 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 3hx0 h ILE 283 Cb 0.08 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 3hx0 h ILE 283 CO 0.02 0.02 -0.21 0.78 0.00 0.00 0.00 178.15 178.76 3hx0 h ASN 284 N 0.11 0.71 -0.77 1.72 2.35 -1.07 -2.70 115.58 115.94 3hx0 h ASN 284 Ca 0.69 -0.44 0.03 0.00 -0.55 0.00 0.00 56.30 56.03 3hx0 h ASN 284 Cb 1.58 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 39.71 3hx0 h ASN 284 CO -0.76 0.99 0.51 0.00 -1.65 0.00 0.00 177.43 176.52 3hx0 h ALA 285 N 0.74 1.53 0.94 -0.83 0.00 0.27 -2.77 119.26 119.14 3hx0 h ALA 285 Ca 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3hx0 h ALA 285 Cb 0.75 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hx0 h ALA 285 CO 0.06 0.40 -0.47 -0.07 0.00 0.00 0.00 179.25 179.17 3hx0 h LEU 286 N 0.96 -1.11 -0.84 0.00 3.38 -0.60 -3.10 115.31 113.99 3hx0 h LEU 286 Ca 0.30 0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.48 3hx0 h LEU 286 Cb 0.02 0.29 -0.16 0.00 0.09 0.00 0.00 40.66 40.90 3hx0 h LEU 286 CO -0.08 -0.78 -0.21 0.29 0.09 0.00 0.00 178.44 177.74 3hx0 n LYS 287 N -5.49 -0.08 -1.21 1.13 5.02 -1.03 -0.63 118.16 115.87 3hx0 n LYS 287 Ca -0.16 1.31 -0.19 0.00 -2.02 0.00 0.00 58.31 57.25 3hx0 n LYS 287 Cb 0.51 -1.95 -0.12 0.00 -0.02 0.00 0.00 35.03 33.45 3hx0 n LYS 287 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3hx0 n SER 288 N -5.36 5.89 -4.43 4.39 7.64 -1.17 -4.39 113.62 116.19 3hx0 n SER 288 Ca 0.13 -2.75 -0.30 0.00 1.01 0.00 0.00 58.87 56.96 3hx0 n SER 288 Cb 0.42 -1.36 -0.13 0.00 -1.01 0.00 0.00 64.21 62.13 3hx0 n SER 288 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3hx0 s PHE 289 N 0.06 2.45 0.00 1.43 -0.71 0.19 -5.03 117.98 116.38 3hx0 s PHE 289 Ca 0.64 -0.31 0.00 0.00 -1.04 0.00 0.00 56.93 56.22 3hx0 s PHE 289 Cb 0.33 -1.37 0.00 0.00 -1.21 0.00 0.00 43.02 40.77 3hx0 s PHE 289 CO -0.08 0.29 0.81 1.58 -1.34 0.00 0.00 175.22 176.48 3hx0 n HIS 290 N 1.23 0.00 -4.12 3.49 -0.00 -1.26 -4.81 115.22 109.74 3hx0 n HIS 290 Ca -0.17 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.29 3hx0 n HIS 290 Cb 0.52 -0.31 -0.05 0.00 -0.00 0.00 0.00 29.99 30.16 3hx0 n HIS 290 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 3hx0 s LYS 291 N -2.25 2.25 0.50 1.57 2.36 -1.26 -4.93 119.74 117.98 3hx0 s LYS 291 Ca 0.00 -2.00 -0.20 0.00 -2.55 0.00 0.00 55.97 51.22 3hx0 s LYS 291 Cb 0.00 -1.96 -0.08 0.00 -1.05 0.00 0.00 37.83 34.74 3hx0 s LYS 291 CO 0.00 -0.37 1.05 -1.25 1.55 0.00 0.00 175.35 176.34 3hx0 s PRO 292 N -4.06 3.69 0.22 4.03 0.04 -1.26 -4.91 135.00 132.74 3hx0 s PRO 292 Ca 0.32 1.39 -0.31 0.00 0.04 0.00 0.00 61.00 62.43 3hx0 s PRO 292 Cb 0.01 -2.07 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 3hx0 s PRO 292 CO 0.19 -0.53 1.66 0.54 0.04 0.00 0.00 177.00 178.89 3hx0 s VAL 293 N -1.99 2.17 -0.01 -0.36 0.11 -1.26 -4.91 120.40 114.15 3hx0 s VAL 293 Ca 0.68 0.13 -0.00 0.00 -2.93 0.00 0.00 61.98 59.85 3hx0 s VAL 293 Cb -0.17 -3.08 -0.00 0.00 -1.53 0.00 0.00 36.38 31.59 3hx0 s VAL 293 CO 0.23 0.01 -0.01 0.35 -3.33 0.00 0.00 175.10 172.35 3hx0 n THR 294 N 3.57 0.05 -4.73 5.04 -2.24 -1.26 -5.05 114.28 109.66 3hx0 n THR 294 Ca 0.14 -0.02 -0.30 0.00 -2.27 0.00 0.00 64.05 61.60 3hx0 n THR 294 Cb 0.36 -1.32 -0.14 0.00 -2.10 0.00 0.00 70.33 67.13 3hx0 n THR 294 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hx0 s SER 295 N -4.90 3.29 0.29 3.42 1.04 -1.26 -5.02 113.70 110.57 3hx0 s SER 295 Ca -0.01 -0.62 0.04 0.00 0.48 0.00 0.00 55.95 55.84 3hx0 s SER 295 Cb 0.00 -0.31 0.75 0.00 0.10 0.00 0.00 66.02 66.57 3hx0 s SER 295 CO 0.02 0.23 1.68 0.22 0.98 0.00 0.00 173.24 176.38 3hx0 h TYR 296 N 4.49 0.60 -0.48 5.02 3.20 -1.98 0.23 116.97 128.05 3hx0 h TYR 296 Ca -0.48 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.42 3hx0 h TYR 296 Cb 1.15 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 3hx0 h TYR 296 CO 0.52 -0.09 0.25 0.37 -1.64 0.00 0.00 178.16 177.57 3hx0 h GLN 297 N 0.35 0.67 -0.88 1.82 4.15 -1.96 -2.59 115.11 116.67 3hx0 h GLN 297 Ca 0.57 -0.08 0.09 0.00 0.77 0.00 0.00 58.65 60.00 3hx0 h GLN 297 Cb 1.12 -0.13 -0.07 0.00 0.21 0.00 0.00 27.48 28.61 3hx0 h GLN 297 CO -0.56 0.54 0.53 1.49 -1.93 0.00 0.00 178.83 178.89 3hx0 h GLU 298 N 0.63 0.87 -0.66 1.69 4.81 -0.98 -1.12 114.58 119.83 3hx0 h GLU 298 Ca 0.17 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3hx0 h GLU 298 Cb 0.07 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 3hx0 h GLU 298 CO -0.03 0.58 0.32 0.00 -0.73 0.00 0.00 179.01 179.15 3hx0 h ALA 299 N 1.46 1.32 0.00 2.92 0.00 -1.01 -1.99 119.26 121.95 3hx0 h ALA 299 Ca 0.41 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3hx0 h ALA 299 Cb 0.33 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hx0 h ALA 299 CO -0.23 0.53 -0.12 0.00 0.00 0.00 0.00 179.25 179.44 3hx0 h SER 301 N 0.00 0.00 -3.40 0.00 4.64 -0.96 -3.43 113.55 110.40 3hx0 h SER 301 Ca -0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 3hx0 h SER 301 Cb 0.53 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.54 3hx0 h SER 301 CO 0.02 0.06 0.64 -0.63 -0.87 0.00 0.00 176.83 176.04 3hx0 s ILE 302 N -3.44 4.62 0.38 0.95 1.01 -0.97 -5.01 121.20 118.73 3hx0 s ILE 302 Ca 0.04 1.42 -0.28 0.00 0.00 0.00 0.00 60.65 61.83 3hx0 s ILE 302 Cb 0.07 -4.31 -0.11 0.00 0.01 0.00 0.00 42.46 38.12 3hx0 s ILE 302 CO 0.62 -0.43 1.47 -0.81 0.00 0.00 0.00 174.94 175.79 3hx0 n PRO 303 N 6.64 2.61 -0.07 2.79 -0.04 -1.26 -1.91 135.00 143.77 3hx0 n PRO 303 Ca 0.08 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 3hx0 n PRO 303 Cb 0.48 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 3hx0 n PRO 303 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hx0 n GLY 304 N 0.48 0.49 3.03 0.55 0.00 -1.26 -4.95 105.19 103.54 3hx0 n GLY 304 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3hx0 n GLY 304 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hx0 s ILE 305 N -2.21 1.53 0.07 -0.61 1.01 -0.80 -4.16 121.20 116.03 3hx0 s ILE 305 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.02 3hx0 s ILE 305 Cb 0.00 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 41.05 3hx0 s ILE 305 CO 0.00 0.45 0.01 0.61 0.00 0.00 0.00 174.94 176.01 3hx0 n GLY 306 N 4.52 3.99 0.43 6.18 0.00 -1.26 -4.62 105.19 114.43 3hx0 n GLY 306 Ca -0.18 -2.23 -0.12 0.00 0.00 0.00 0.00 46.02 43.49 3hx0 n GLY 306 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hx0 h LYS 307 N 0.00 -0.19 -0.22 1.61 1.57 -1.97 0.14 116.57 117.52 3hx0 h LYS 307 Ca -0.05 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3hx0 h LYS 307 Cb 0.17 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 3hx0 h LYS 307 CO 0.09 -0.12 -0.20 0.00 -0.57 0.00 0.00 179.45 178.64 3hx0 h ARG 308 N -0.19 -0.21 0.47 3.15 2.47 -1.99 0.12 114.38 118.21 3hx0 h ARG 308 Ca 0.12 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.83 3hx0 h ARG 308 Cb 0.49 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 3hx0 h ARG 308 CO -0.76 -0.14 -0.23 1.98 0.56 0.00 0.00 179.97 181.38 3hx0 h MET 309 N -0.21 -0.61 -0.95 0.04 4.05 -1.83 -2.79 114.93 112.63 3hx0 h MET 309 Ca 0.13 0.04 0.22 0.00 -0.28 0.00 0.00 59.70 59.81 3hx0 h MET 309 Cb 0.41 0.14 -0.07 0.00 -0.80 0.00 0.00 31.60 31.27 3hx0 h MET 309 CO -0.34 -0.32 0.62 0.00 0.23 0.00 0.00 176.91 177.09 3hx0 h ALA 310 N -0.39 2.18 0.25 0.39 0.00 -0.64 -1.42 119.26 119.62 3hx0 h ALA 310 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hx0 h ALA 310 Cb 0.57 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3hx0 h ALA 310 CO 0.11 -0.50 -0.24 1.49 0.00 0.00 0.00 179.25 180.10 3hx0 h GLU 311 N 0.43 -0.50 -0.43 0.00 4.81 -0.49 -2.53 114.58 115.87 3hx0 h GLU 311 Ca 0.51 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.73 3hx0 h GLU 311 Cb 1.23 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 3hx0 h GLU 311 CO -0.21 -0.34 0.11 0.87 -0.73 0.00 0.00 179.01 178.71 3hx0 h LYS 312 N -0.52 0.64 -0.97 1.92 1.57 -1.11 -2.48 116.57 115.62 3hx0 h LYS 312 Ca -0.00 -0.11 0.15 0.00 -1.87 0.00 0.00 60.65 58.82 3hx0 h LYS 312 Cb 0.48 -0.11 -0.10 0.00 0.08 0.00 0.00 32.23 32.59 3hx0 h LYS 312 CO -0.05 0.58 0.58 0.82 -0.57 0.00 0.00 179.45 180.81 3hx0 h ILE 313 N 0.63 0.79 0.06 1.86 2.04 -0.95 -1.38 117.51 120.56 3hx0 h ILE 313 Ca 0.14 -0.28 -0.24 0.00 1.00 0.00 0.00 64.86 65.48 3hx0 h ILE 313 Cb 0.22 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 3hx0 h ILE 313 CO -0.00 0.15 -1.09 0.40 0.00 0.00 0.00 178.15 177.60 3hx0 h ILE 314 N 0.82 1.55 0.00 -0.67 1.08 -1.21 -3.02 117.51 116.07 3hx0 h ILE 314 Ca 0.52 -3.04 0.00 0.00 -0.39 0.00 0.00 64.86 61.96 3hx0 h ILE 314 Cb 0.69 2.80 0.00 0.00 -3.07 0.00 0.00 36.82 37.24 3hx0 h ILE 314 CO -0.33 0.88 0.00 1.21 -0.69 0.00 0.00 178.15 179.22 3hx0 n GLU 315 N -3.52 0.35 0.00 2.37 2.13 -0.53 -1.56 120.64 119.88 3hx0 n GLU 315 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 3hx0 n GLU 315 Cb 0.95 -1.04 0.00 0.00 0.27 0.00 0.00 31.44 31.62 3hx0 n GLU 315 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3hx0 n ILE 316 N -0.54 0.00 1.20 6.31 5.41 -1.17 -4.02 119.36 126.55 3hx0 n ILE 316 Ca 0.01 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.86 3hx0 n ILE 316 Cb 0.00 -0.65 0.58 0.00 -0.71 0.00 0.00 39.64 38.86 3hx0 n ILE 316 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3hx0 n LEU 317 N -1.91 0.00 0.00 1.39 4.77 -0.60 -0.90 117.00 119.75 3hx0 n LEU 317 Ca 0.00 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3hx0 n LEU 317 Cb 0.40 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3hx0 n LEU 317 CO 0.00 -0.01 0.00 -1.84 -1.33 0.00 0.00 177.39 174.21 3hx0 n GLU 318 N -1.04 0.00 0.00 3.23 0.28 -1.15 -4.86 120.64 117.11 3hx0 n GLU 318 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 3hx0 n GLU 318 Cb 0.08 -0.08 0.00 0.00 1.43 0.00 0.00 31.44 32.87 3hx0 n GLU 318 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3hx0 n SER 319 N 0.00 0.77 0.00 -1.84 3.41 -1.22 -5.01 113.62 109.73 3hx0 n SER 319 Ca 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 3hx0 n SER 319 Cb 0.04 0.63 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 3hx0 n SER 319 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hx0 n GLY 320 N 0.87 0.16 0.00 5.00 0.00 -0.08 -4.92 105.19 106.22 3hx0 n GLY 320 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hx0 n GLY 320 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3hx0 n HIS 321 N -2.12 0.00 -2.81 1.61 1.44 -1.26 -4.99 115.22 107.09 3hx0 n HIS 321 Ca 0.00 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3hx0 n HIS 321 Cb 0.21 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.34 3hx0 n HIS 321 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 3hx0 s LEU 322 N 0.00 -0.63 0.14 2.39 2.96 -1.26 -3.92 118.68 118.36 3hx0 s LEU 322 Ca 0.00 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 3hx0 s LEU 322 Cb 0.00 0.81 0.32 0.00 0.50 0.00 0.00 46.19 47.83 3hx0 s LEU 322 CO 0.00 -0.05 0.69 -2.11 -1.32 0.00 0.00 176.35 173.56 3hx0 n ARG 323 N 3.39 -0.04 -0.24 1.98 1.85 -1.26 -0.19 116.66 122.16 3hx0 n ARG 323 Ca 0.10 0.67 -0.03 0.00 -1.00 0.00 0.00 57.85 57.58 3hx0 n ARG 323 Cb 0.62 -1.05 0.03 0.00 -1.05 0.00 0.00 32.46 31.01 3hx0 n ARG 323 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 177.63 179.19 3hx0 h LYS 324 N 0.00 -0.10 -0.39 2.89 -0.00 -1.99 -0.77 116.57 116.21 3hx0 h LYS 324 Ca 0.26 0.01 0.07 0.00 -0.00 0.00 0.00 60.65 60.99 3hx0 h LYS 324 Cb 0.53 0.02 -0.07 0.00 -0.00 0.00 0.00 32.23 32.71 3hx0 h LYS 324 CO -0.42 -0.07 -0.04 -0.07 -0.00 0.00 0.00 179.45 178.85 3hx0 h LEU 325 N -0.10 -0.25 -0.82 7.07 3.38 -0.97 -2.52 115.31 121.11 3hx0 h LEU 325 Ca 0.28 0.10 0.16 0.00 0.09 0.00 0.00 57.88 58.51 3hx0 h LEU 325 Cb 0.55 0.20 -0.10 0.00 0.09 0.00 0.00 40.66 41.40 3hx0 h LEU 325 CO -0.73 -0.08 0.36 0.44 0.09 0.00 0.00 178.44 178.52 3hx0 h ASP 326 N 0.06 0.37 -0.23 -0.43 3.32 -1.22 -1.05 116.42 117.23 3hx0 h ASP 326 Ca 0.19 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3hx0 h ASP 326 Cb 0.28 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3hx0 h ASP 326 CO -0.36 0.12 0.00 1.41 -1.72 0.00 0.00 179.24 178.69 3hx0 n HIS 327 N -4.97 0.37 -1.83 4.55 -0.00 -0.96 -4.93 115.22 107.45 3hx0 n HIS 327 Ca 0.17 -0.17 -0.41 0.00 -0.00 0.00 0.00 57.72 57.31 3hx0 n HIS 327 Cb 0.48 -0.03 -0.00 0.00 -0.00 0.00 0.00 29.99 30.43 3hx0 n HIS 327 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3hx0 s ILE 328 N -1.66 2.12 1.07 1.59 1.01 -0.40 -4.96 121.20 119.97 3hx0 s ILE 328 Ca 0.16 0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.82 3hx0 s ILE 328 Cb 0.09 -3.08 0.23 0.00 0.01 0.00 0.00 42.46 39.72 3hx0 s ILE 328 CO 0.10 0.03 1.07 -0.55 0.00 0.00 0.00 174.94 175.59 3hx0 s SER 329 N -0.12 1.71 0.00 3.58 0.15 -1.26 -4.92 113.70 112.84 3hx0 s SER 329 Ca 0.53 1.73 0.29 0.00 0.70 0.00 0.00 55.95 59.21 3hx0 s SER 329 Cb -0.46 -2.38 1.34 0.00 -1.71 0.00 0.00 66.02 62.81 3hx0 s SER 329 CO 0.61 -3.78 1.91 -1.84 1.20 0.00 0.00 173.24 171.34 3hx0 n GLU 330 N -4.65 1.36 0.10 5.44 0.28 -1.26 -3.98 120.64 117.92 3hx0 n GLU 330 Ca 0.06 -0.58 -0.24 0.00 -0.16 0.00 0.00 57.16 56.24 3hx0 n GLU 330 Cb 0.54 -1.49 -0.15 0.00 1.43 0.00 0.00 31.44 31.77 3hx0 n GLU 330 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 3hx0 h SER 331 N 1.42 0.69 -0.72 -1.84 0.02 -2.02 -3.39 113.55 107.72 3hx0 h SER 331 Ca 0.00 -0.93 0.12 0.00 -0.84 0.00 0.00 61.79 60.14 3hx0 h SER 331 Cb 0.32 -0.22 -0.12 0.00 0.14 0.00 0.00 62.40 62.52 3hx0 h SER 331 CO 0.00 1.75 -0.25 0.52 -1.14 0.00 0.00 176.83 177.71 3hx0 n VAL 332 N -3.66 -0.35 0.01 2.27 0.31 -1.26 -0.69 118.33 114.96 3hx0 n VAL 332 Ca -0.22 1.67 -0.10 0.00 -0.01 0.00 0.00 64.34 65.68 3hx0 n VAL 332 Cb 1.07 -2.24 -0.03 0.00 -0.91 0.00 0.00 33.84 31.73 3hx0 n VAL 332 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3hx0 h PRO 333 N 0.00 -0.29 0.59 5.55 0.11 -1.86 -1.31 132.00 134.80 3hx0 h PRO 333 Ca 0.28 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.38 3hx0 h PRO 333 Cb 0.46 0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.64 3hx0 h PRO 333 CO -0.72 -0.19 -0.28 0.28 -0.21 0.00 0.00 178.00 176.87 3hx0 h VAL 334 N -0.30 0.12 -0.93 3.15 2.07 -1.15 -2.72 116.25 116.50 3hx0 h VAL 334 Ca 0.09 -0.41 0.27 0.00 0.82 0.00 0.00 66.70 67.48 3hx0 h VAL 334 Cb 0.44 0.18 -0.15 0.00 -1.52 0.00 0.00 31.29 30.24 3hx0 h VAL 334 CO -0.28 0.02 0.31 -0.07 0.02 0.00 0.00 177.57 177.56 3hx0 h LEU 335 N -1.15 0.08 -0.13 2.57 3.38 -1.00 0.35 115.31 119.41 3hx0 h LEU 335 Ca -0.08 0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3hx0 h LEU 335 Cb 0.64 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3hx0 h LEU 335 CO 0.13 -0.19 0.07 -0.08 0.09 0.00 0.00 178.44 178.46 3hx0 h GLU 336 N 0.20 0.18 -0.65 1.13 4.81 -1.25 -1.51 114.58 117.48 3hx0 h GLU 336 Ca 0.62 -0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.96 3hx0 h GLU 336 Cb 1.32 -0.03 -0.11 0.00 0.63 0.00 0.00 28.75 30.56 3hx0 h GLU 336 CO -0.68 0.21 -0.02 1.25 -0.73 0.00 0.00 179.01 179.03 3hx0 h LEU 337 N 0.11 -0.33 0.10 1.64 5.85 0.00 -2.11 115.31 120.57 3hx0 h LEU 337 Ca 0.04 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 3hx0 h LEU 337 Cb 0.08 0.30 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3hx0 h LEU 337 CO -0.01 -0.14 -0.05 -0.26 -0.34 0.00 0.00 178.44 177.64 3hx0 h PHE 338 N 0.10 -0.13 -0.04 1.25 0.05 -1.20 -3.11 116.94 113.87 3hx0 h PHE 338 Ca 0.34 -0.00 0.01 0.00 3.82 0.00 0.00 57.97 62.14 3hx0 h PHE 338 Cb 0.55 0.04 -0.00 0.00 2.00 0.00 0.00 35.95 38.54 3hx0 h PHE 338 CO -0.40 0.24 0.34 0.66 -0.18 0.00 0.00 178.31 178.97 3hx0 h SER 339 N -0.52 0.00 -0.03 2.17 4.64 -0.80 0.36 113.55 119.38 3hx0 h SER 339 Ca -0.01 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 3hx0 h SER 339 Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3hx0 h SER 339 CO 0.02 0.00 -0.15 0.78 -0.87 0.00 0.00 176.83 176.62 3hx0 h ASN 340 N 0.00 0.33 -2.42 4.97 2.35 -1.32 -3.43 115.58 116.07 3hx0 h ASN 340 Ca 0.02 -0.08 -0.55 0.00 -0.55 0.00 0.00 56.30 55.13 3hx0 h ASN 340 Cb 0.69 -0.09 0.05 0.00 0.05 0.00 0.00 38.32 39.03 3hx0 h ASN 340 CO -0.00 0.50 0.97 -0.38 -1.65 0.00 0.00 177.43 176.87 3hx0 n ILE 341 N -4.23 0.14 -1.78 2.81 5.41 0.11 -4.89 119.36 116.94 3hx0 n ILE 341 Ca -0.00 -0.03 -0.41 0.00 1.00 0.00 0.00 62.75 63.31 3hx0 n ILE 341 Cb 0.30 -1.85 -0.01 0.00 -0.71 0.00 0.00 39.64 37.37 3hx0 n ILE 341 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 176.55 177.41 3hx0 s TRP 342 N 1.72 2.74 0.00 1.39 -0.00 -1.26 -1.33 118.94 122.19 3hx0 s TRP 342 Ca 0.80 0.80 0.00 0.00 -0.00 0.00 0.00 56.10 57.70 3hx0 s TRP 342 Cb -0.58 -4.07 0.00 0.00 -0.00 0.00 0.00 33.47 28.82 3hx0 s TRP 342 CO 0.37 -3.57 0.00 0.41 -0.00 0.00 0.00 176.95 174.16 3hx0 n GLY 343 N 2.07 0.58 3.19 5.86 0.00 -1.26 -3.72 105.19 111.91 3hx0 n GLY 343 Ca 0.08 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 3hx0 n GLY 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hx0 s ALA 344 N -2.00 1.58 0.00 4.61 0.00 -0.44 -4.60 121.76 120.91 3hx0 s ALA 344 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3hx0 s ALA 344 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.73 3hx0 s ALA 344 CO 0.00 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.55 3hx0 n GLY 345 N 2.52 5.14 0.01 0.00 0.00 -1.26 -4.72 105.19 106.88 3hx0 n GLY 345 Ca -0.15 -1.56 -0.00 0.00 0.00 0.00 0.00 46.02 44.31 3hx0 n GLY 345 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hx0 h THR 346 N 0.26 0.00 -0.98 2.61 2.02 -1.91 -0.43 112.91 114.48 3hx0 h THR 346 Ca 0.00 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.52 3hx0 h THR 346 Cb 0.00 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.24 3hx0 h THR 346 CO 0.00 0.00 0.35 0.11 0.37 0.00 0.00 175.52 176.35 3hx0 h LYS 347 N -0.02 0.07 -0.15 6.66 1.79 -1.97 0.41 116.57 123.36 3hx0 h LYS 347 Ca -0.00 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 3hx0 h LYS 347 Cb 0.02 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3hx0 h LYS 347 CO -0.00 0.05 -0.01 1.15 -1.08 0.00 0.00 179.45 179.56 3hx0 h THR 348 N 0.07 1.26 -0.16 -0.16 2.02 -1.90 -1.90 112.91 112.14 3hx0 h THR 348 Ca 0.72 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 3hx0 h THR 348 Cb 1.71 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.65 3hx0 h THR 348 CO -0.78 0.26 0.07 0.00 0.37 0.00 0.00 175.52 175.44 3hx0 h ALA 349 N 0.75 0.21 -0.93 6.16 0.00 0.13 -1.48 119.26 124.11 3hx0 h ALA 349 Ca 0.04 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.95 3hx0 h ALA 349 Cb 0.39 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 3hx0 h ALA 349 CO 0.01 -0.22 0.60 1.96 0.00 0.00 0.00 179.25 181.60 3hx0 h GLN 350 N 0.12 0.94 0.75 0.00 4.20 -0.47 0.03 115.11 120.69 3hx0 h GLN 350 Ca 0.05 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3hx0 h GLN 350 Cb 0.14 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 27.72 3hx0 h GLN 350 CO -0.01 0.62 -0.36 1.98 -0.67 0.00 0.00 178.83 180.40 3hx0 h MET 351 N 0.97 -0.97 0.07 1.46 4.05 -0.93 -1.82 114.93 117.76 3hx0 h MET 351 Ca 0.43 0.07 0.02 0.00 -0.28 0.00 0.00 59.70 59.94 3hx0 h MET 351 Cb 0.36 0.22 -0.04 0.00 -0.80 0.00 0.00 31.60 31.34 3hx0 h MET 351 CO -0.19 -0.63 -0.26 -1.49 0.23 0.00 0.00 176.91 174.57 3hx0 h TRP 352 N -1.15 -0.70 0.12 1.39 6.55 -0.89 0.13 115.95 121.39 3hx0 h TRP 352 Ca -0.10 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.76 3hx0 h TRP 352 Cb 0.79 0.30 -0.02 0.00 -0.86 0.00 0.00 29.16 29.37 3hx0 h TRP 352 CO -0.00 -0.36 -0.28 -0.92 -1.05 0.00 0.00 178.44 175.83 3hx0 h TYR 353 N -0.44 -0.80 0.00 0.49 5.03 -1.06 0.34 116.97 120.53 3hx0 h TYR 353 Ca 0.04 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.37 3hx0 h TYR 353 Cb 0.49 0.33 0.00 0.00 1.55 0.00 0.00 36.73 39.10 3hx0 h TYR 353 CO -0.26 -0.33 0.19 0.37 -1.32 0.00 0.00 178.16 176.81 3hx0 h GLN 354 N -0.44 0.00 0.00 1.82 -0.00 -1.28 0.63 115.11 115.84 3hx0 h GLN 354 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 3hx0 h GLN 354 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.90 3hx0 h GLN 354 CO -0.12 0.00 -0.16 0.94 0.00 0.00 0.00 178.83 179.49 3hx0 n GLN 355 N -2.67 0.05 0.00 1.69 7.27 0.46 -4.95 117.38 119.23 3hx0 n GLN 355 Ca -0.02 0.03 0.00 0.00 0.07 0.00 0.00 57.00 57.08 3hx0 n GLN 355 Cb 0.24 -1.55 0.00 0.00 2.41 0.00 0.00 30.24 31.34 3hx0 n GLN 355 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hx0 n GLY 356 N 1.46 3.55 3.36 1.69 0.00 0.22 -5.04 105.19 110.43 3hx0 n GLY 356 Ca 0.06 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 3hx0 n GLY 356 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hx0 n PHE 357 N 0.00 -1.39 -0.19 1.61 0.99 -1.13 -4.91 117.46 112.45 3hx0 n PHE 357 Ca 0.00 0.66 0.00 0.00 -0.00 0.00 0.00 57.45 58.11 3hx0 n PHE 357 Cb 0.00 -1.87 0.00 0.00 -1.00 0.00 0.00 39.48 36.61 3hx0 n PHE 357 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3hx0 n ARG 358 N 1.06 0.00 -4.24 -1.08 5.12 -1.26 -4.20 116.66 112.05 3hx0 n ARG 358 Ca 0.12 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.90 3hx0 n ARG 358 Cb 0.38 -0.06 -0.10 0.00 -1.16 0.00 0.00 32.46 31.53 3hx0 n ARG 358 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3hx0 s SER 359 N 0.00 0.65 0.17 0.55 1.04 -1.26 -4.91 113.70 109.93 3hx0 s SER 359 Ca 0.00 -1.47 -0.11 0.00 0.48 0.00 0.00 55.95 54.86 3hx0 s SER 359 Cb 0.00 0.39 0.05 0.00 0.10 0.00 0.00 66.02 66.56 3hx0 s SER 359 CO 0.00 -0.87 1.64 -0.07 0.98 0.00 0.00 173.24 174.92 3hx0 h LEU 360 N 2.48 0.94 -1.72 2.42 3.38 -1.99 -2.42 115.31 118.40 3hx0 h LEU 360 Ca -0.34 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.31 3hx0 h LEU 360 Cb 1.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3hx0 h LEU 360 CO 0.51 0.99 -0.17 -0.08 0.09 0.00 0.00 178.44 179.78 3hx0 h GLU 361 N 0.86 0.00 -0.32 1.13 4.57 -1.97 0.37 114.58 119.23 3hx0 h GLU 361 Ca 0.17 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.20 3hx0 h GLU 361 Cb 0.48 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3hx0 h GLU 361 CO 0.02 0.17 -0.41 -0.44 -1.18 0.00 0.00 179.01 177.17 3hx0 h ASP 362 N 0.00 0.84 0.23 1.04 3.45 -1.86 -2.73 116.42 117.38 3hx0 h ASP 362 Ca -0.00 -0.39 -0.01 0.00 0.43 0.00 0.00 57.03 57.06 3hx0 h ASP 362 Cb 0.33 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 3hx0 h ASP 362 CO 0.02 1.14 -0.11 0.40 -1.57 0.00 0.00 179.24 179.12 3hx0 h ILE 363 N 0.63 0.38 0.00 0.35 1.08 -0.86 -2.85 117.51 116.24 3hx0 h ILE 363 Ca 0.05 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.58 3hx0 h ILE 363 Cb 0.97 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.37 3hx0 h ILE 363 CO 0.09 0.10 0.03 -1.14 -0.69 0.00 0.00 178.15 176.55 3hx0 n ARG 364 N -4.97 0.00 0.00 2.37 0.63 0.12 -2.47 116.66 112.34 3hx0 n ARG 364 Ca -0.06 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 3hx0 n ARG 364 Cb 0.20 -1.53 0.00 0.00 0.45 0.00 0.00 32.46 31.58 3hx0 n ARG 364 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3hx0 n SER 365 N -1.08 0.00 0.00 6.15 7.64 -1.03 -4.88 113.62 120.42 3hx0 n SER 365 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 3hx0 n SER 365 Cb 0.03 0.00 0.56 0.00 -1.01 0.00 0.00 64.21 63.79 3hx0 n SER 365 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hx0 n GLN 366 N 0.00 0.73 -2.03 1.43 10.64 -1.08 -4.86 117.38 122.20 3hx0 n GLN 366 Ca 0.00 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 54.89 3hx0 n GLN 366 Cb 0.00 -1.40 0.09 0.00 -0.86 0.00 0.00 30.24 28.06 3hx0 n GLN 366 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3hx0 s ALA 367 N -2.00 2.85 -0.27 2.61 0.00 -1.03 -5.04 121.76 118.89 3hx0 s ALA 367 Ca 0.28 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.47 3hx0 s ALA 367 Cb 0.13 -2.79 0.07 0.00 0.00 0.00 0.00 23.12 20.52 3hx0 s ALA 367 CO 0.22 -1.55 -0.06 -1.54 0.00 0.00 0.00 175.76 172.82 3hx0 s SER 368 N -4.57 4.37 0.57 0.00 1.04 -1.26 -4.97 113.70 108.88 3hx0 s SER 368 Ca 0.62 -1.50 0.08 0.00 0.48 0.00 0.00 55.95 55.63 3hx0 s SER 368 Cb -0.11 -1.47 0.07 0.00 0.10 0.00 0.00 66.02 64.62 3hx0 s SER 368 CO 0.47 -0.24 0.66 -0.76 0.98 0.00 0.00 173.24 174.36 3hx0 s LEU 369 N 1.14 2.94 0.00 2.42 1.43 -1.26 -5.13 118.68 120.22 3hx0 s LEU 369 Ca -0.04 -1.00 0.02 0.00 -1.03 0.00 0.00 54.13 52.08 3hx0 s LEU 369 Cb -0.19 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 44.60 3hx0 s LEU 369 CO -0.06 -1.28 0.18 0.35 0.23 0.00 0.00 176.35 175.76 3hx0 n THR 370 N -2.09 0.00 -0.02 5.49 -2.24 -1.26 -4.98 114.28 109.18 3hx0 n THR 370 Ca 0.10 -0.63 -0.15 0.00 -2.27 0.00 0.00 64.05 61.09 3hx0 n THR 370 Cb 0.63 -0.57 -0.11 0.00 -2.10 0.00 0.00 70.33 68.18 3hx0 n THR 370 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hx0 h THR 371 N 0.33 1.51 -0.33 4.28 2.02 -1.99 -2.87 112.91 115.86 3hx0 h THR 371 Ca -0.10 -1.92 0.03 0.00 0.77 0.00 0.00 66.41 65.19 3hx0 h THR 371 Cb 0.39 2.67 -0.03 0.00 -1.74 0.00 0.00 68.15 69.44 3hx0 h THR 371 CO 0.15 0.53 0.16 1.56 0.37 0.00 0.00 175.52 178.29 3hx0 h GLN 372 N -0.40 0.32 -0.40 6.66 4.20 -1.91 -1.54 115.11 122.04 3hx0 h GLN 372 Ca -0.04 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.69 3hx0 h GLN 372 Cb 1.04 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 3hx0 h GLN 372 CO 0.06 0.21 0.27 1.96 -0.67 0.00 0.00 178.83 180.66 3hx0 h GLN 373 N 0.33 0.38 -0.36 1.46 4.20 -1.66 0.36 115.11 119.82 3hx0 h GLN 373 Ca 0.14 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 3hx0 h GLN 373 Cb 0.06 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3hx0 h GLN 373 CO -0.10 0.25 0.11 0.00 -0.67 0.00 0.00 178.83 178.42 3hx0 h ALA 374 N 1.77 0.48 -0.10 3.87 0.00 -1.05 -0.60 119.26 123.63 3hx0 h ALA 374 Ca 0.17 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3hx0 h ALA 374 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3hx0 h ALA 374 CO -0.04 0.12 -0.38 0.82 0.00 0.00 0.00 179.25 179.77 3hx0 h ILE 375 N 0.44 1.29 0.29 0.00 2.04 -0.82 -1.35 117.51 119.40 3hx0 h ILE 375 Ca 0.12 -1.43 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 3hx0 h ILE 375 Cb 0.26 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 3hx0 h ILE 375 CO -0.00 0.43 -0.14 1.23 0.00 0.00 0.00 178.15 179.67 3hx0 h GLY 376 N 1.17 -0.40 1.30 5.37 0.00 -0.46 -2.93 103.07 107.12 3hx0 h GLY 376 Ca 0.02 0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.43 3hx0 h GLY 376 CO 0.06 -0.15 0.03 -2.00 0.00 0.00 0.00 176.54 174.48 3hx0 h LEU 377 N -0.62 0.82 -2.16 3.11 5.85 -1.10 -0.81 115.31 120.40 3hx0 h LEU 377 Ca -0.04 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.55 3hx0 h LEU 377 Cb 0.44 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3hx0 h LEU 377 CO 0.06 0.87 0.27 0.50 -0.34 0.00 0.00 178.44 179.80 3hx0 h LYS 378 N 0.80 0.00 0.00 1.25 3.64 -1.20 -0.79 116.57 120.27 3hx0 h LYS 378 Ca 0.16 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3hx0 h LYS 378 Cb 0.44 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 3hx0 h LYS 378 CO 0.02 0.00 -0.36 0.72 -2.27 0.00 0.00 179.45 177.56 3hx0 n HIS 379 N -3.77 0.00 -0.18 1.91 8.25 -0.86 -4.88 115.22 115.69 3hx0 n HIS 379 Ca 0.03 -1.00 -0.10 0.00 -0.26 0.00 0.00 57.72 56.39 3hx0 n HIS 379 Cb 0.40 -0.17 -0.08 0.00 1.12 0.00 0.00 29.99 31.26 3hx0 n HIS 379 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 3hx0 h TYR 380 N 0.48 -1.38 -0.10 4.41 5.03 0.30 0.12 116.97 125.84 3hx0 h TYR 380 Ca -0.03 0.08 0.04 0.00 2.58 0.00 0.00 58.73 61.40 3hx0 h TYR 380 Cb 1.15 0.66 -0.06 0.00 1.55 0.00 0.00 36.73 40.03 3hx0 h TYR 380 CO 0.31 -0.35 -0.30 0.77 -1.32 0.00 0.00 178.16 177.28 3hx0 h SER 381 N -0.20 -0.91 -0.56 -2.11 0.02 -1.88 -2.50 113.55 105.41 3hx0 h SER 381 Ca 0.08 0.13 0.09 0.00 -0.84 0.00 0.00 61.79 61.25 3hx0 h SER 381 Cb 0.41 0.39 -0.07 0.00 0.14 0.00 0.00 62.40 63.27 3hx0 h SER 381 CO -0.55 -0.34 0.19 0.44 -1.14 0.00 0.00 176.83 175.42 3hx0 h ASP 382 N -0.39 0.16 0.04 3.07 3.32 -1.72 -3.17 116.42 117.74 3hx0 h ASP 382 Ca 0.09 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 3hx0 h ASP 382 Cb 0.52 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3hx0 h ASP 382 CO -0.32 0.11 -0.02 -0.26 -1.72 0.00 0.00 179.24 177.03 3hx0 h PHE 383 N 0.36 -0.05 -1.18 4.55 0.04 -0.50 -3.14 116.94 117.02 3hx0 h PHE 383 Ca 0.28 -0.00 0.37 0.00 2.80 0.00 0.00 57.97 61.41 3hx0 h PHE 383 Cb 0.34 0.02 -0.12 0.00 2.20 0.00 0.00 35.95 38.38 3hx0 h PHE 383 CO -0.18 0.20 0.74 -0.07 -0.60 0.00 0.00 178.31 178.40 3hx0 h LEU 384 N -0.30 0.35-10.05 1.54 3.38 -1.42 -3.40 115.31 105.40 3hx0 h LEU 384 Ca -0.01 0.13 -0.47 0.00 0.09 0.00 0.00 57.88 57.63 3hx0 h LEU 384 Cb 0.28 0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.14 3hx0 h LEU 384 CO 0.01 -0.11 0.38 -1.61 0.09 0.00 0.00 178.44 177.21 3hx0 s GLU 385 N -5.42 3.93 -0.10 1.13 0.41 -1.19 -5.05 118.70 112.41 3hx0 s GLU 385 Ca -0.08 1.36 -0.05 0.00 -0.41 0.00 0.00 54.97 55.78 3hx0 s GLU 385 Cb 0.29 -2.19 -0.04 0.00 -1.78 0.00 0.00 34.13 30.41 3hx0 s GLU 385 CO 0.81 -0.32 0.11 1.03 -0.49 0.00 0.00 175.26 176.39 3hx0 s ARG 386 N -3.08 3.31 0.17 1.61 0.52 -1.26 -4.88 118.95 115.34 3hx0 s ARG 386 Ca 0.65 -0.22 -0.22 0.00 -0.52 0.00 0.00 55.73 55.42 3hx0 s ARG 386 Cb -0.16 -3.08 -0.08 0.00 0.52 0.00 0.00 34.95 32.15 3hx0 s ARG 386 CO 0.20 0.75 0.72 0.00 0.02 0.00 0.00 175.30 177.00 3hx0 s MET 387 N -1.05 4.39 0.44 3.54 0.23 -0.39 -4.75 119.30 121.71 3hx0 s MET 387 Ca 0.15 0.98 -0.25 0.00 -1.03 0.00 0.00 55.69 55.54 3hx0 s MET 387 Cb -0.12 -3.11 -0.08 0.00 -1.53 0.00 0.00 34.83 29.99 3hx0 s MET 387 CO 0.04 0.51 1.38 -2.14 -2.03 0.00 0.00 175.02 172.78 3hx0 s PRO 388 N -1.47 3.77 0.59 3.16 0.02 -1.26 -0.72 135.00 139.09 3hx0 s PRO 388 Ca 0.38 2.31 0.31 0.00 0.02 0.00 0.00 61.00 64.01 3hx0 s PRO 388 Cb -0.20 -2.67 1.30 0.00 0.02 0.00 0.00 34.50 32.94 3hx0 s PRO 388 CO 0.23 -0.71 1.62 -0.09 -0.33 0.00 0.00 177.00 177.72 3hx0 h ARG 389 N 2.42 0.00 0.11 5.54 2.43 -0.37 0.43 114.38 124.95 3hx0 h ARG 389 Ca -0.50 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 3hx0 h ARG 389 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3hx0 h ARG 389 CO 0.61 0.00 -0.05 0.93 -1.51 0.00 0.00 179.97 179.95 3hx0 h GLU 390 N 0.00 -0.14 -0.97 0.20 5.08 -1.88 -2.71 114.58 114.15 3hx0 h GLU 390 Ca 0.44 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.90 3hx0 h GLU 390 Cb 2.27 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 31.47 3hx0 h GLU 390 CO -0.00 0.25 0.61 1.49 -1.00 0.00 0.00 179.01 180.35 3hx0 h GLU 391 N -0.57 1.01 -0.53 2.33 4.81 -1.26 -1.57 114.58 118.81 3hx0 h GLU 391 Ca -0.02 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3hx0 h GLU 391 Cb 0.46 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3hx0 h GLU 391 CO 0.03 0.67 0.27 0.00 -0.73 0.00 0.00 179.01 179.25 3hx0 h ALA 392 N 1.48 0.68 -0.66 2.92 0.00 -1.53 -1.66 119.26 120.49 3hx0 h ALA 392 Ca 0.45 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.32 3hx0 h ALA 392 Cb 0.32 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3hx0 h ALA 392 CO -0.22 0.21 0.35 1.15 0.00 0.00 0.00 179.25 180.74 3hx0 h THR 393 N 0.70 0.93 0.71 0.00 2.02 -0.97 -0.05 112.91 116.25 3hx0 h THR 393 Ca 0.18 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 3hx0 h THR 393 Cb 0.08 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3hx0 h THR 393 CO -0.03 0.12 -0.44 -0.33 0.37 0.00 0.00 175.52 175.21 3hx0 h GLU 394 N 0.63 -1.04 -1.00 6.66 5.08 -0.97 -2.40 114.58 121.54 3hx0 h GLU 394 Ca 0.30 0.07 0.26 0.00 -1.00 0.00 0.00 59.36 59.00 3hx0 h GLU 394 Cb 0.23 0.24 -0.13 0.00 0.50 0.00 0.00 28.75 29.59 3hx0 h GLU 394 CO -0.21 -0.69 0.58 0.82 -1.00 0.00 0.00 179.01 178.51 3hx0 h ILE 395 N -1.08 0.48 0.16 3.13 2.04 -0.86 -1.87 117.51 119.51 3hx0 h ILE 395 Ca -0.09 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.61 3hx0 h ILE 395 Cb 0.87 -0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 3hx0 h ILE 395 CO 0.09 0.09 -0.44 -0.08 0.00 0.00 0.00 178.15 177.82 3hx0 h GLU 396 N 0.51 -0.67 0.00 2.37 4.22 -0.50 -2.22 114.58 118.29 3hx0 h GLU 396 Ca 0.67 0.05 -0.03 0.00 0.08 0.00 0.00 59.36 60.12 3hx0 h GLU 396 Cb 1.33 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.73 3hx0 h GLU 396 CO -0.51 -0.45 -0.14 1.96 -2.18 0.00 0.00 179.01 177.69 3hx0 h GLN 397 N -0.70 0.00 -0.25 1.92 4.20 -1.21 -1.19 115.11 117.87 3hx0 h GLN 397 Ca 0.01 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.75 3hx0 h GLN 397 Cb 0.71 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 3hx0 h GLN 397 CO -0.23 0.14 0.05 1.15 -0.67 0.00 0.00 178.83 179.28 3hx0 h THR 398 N 0.00 0.89 -0.04 -0.54 2.02 -0.90 0.60 112.91 114.93 3hx0 h THR 398 Ca -0.00 -0.05 -0.22 0.00 0.77 0.00 0.00 66.41 66.91 3hx0 h THR 398 Cb 0.46 0.72 0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3hx0 h THR 398 CO 0.02 0.03 -0.84 0.58 0.37 0.00 0.00 175.52 175.67 3hx0 h VAL 399 N 0.15 1.32 -0.42 3.16 2.07 -1.35 -3.09 116.25 118.10 3hx0 h VAL 399 Ca 0.12 -2.12 0.06 0.00 0.82 0.00 0.00 66.70 65.58 3hx0 h VAL 399 Cb 0.11 2.34 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 3hx0 h VAL 399 CO -0.15 0.65 0.10 -0.61 0.02 0.00 0.00 177.57 177.58 3hx0 h GLN 400 N 0.28 0.24 0.84 1.57 4.15 -0.81 0.12 115.11 121.49 3hx0 h GLN 400 Ca -0.09 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.27 3hx0 h GLN 400 Cb 1.50 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 29.15 3hx0 h GLN 400 CO 0.17 0.16 -0.40 0.87 -1.93 0.00 0.00 178.83 177.69 3hx0 h LYS 401 N 0.24 -1.09 -0.18 1.69 1.57 0.12 -0.68 116.57 118.24 3hx0 h LYS 401 Ca 0.20 0.07 0.05 0.00 -1.87 0.00 0.00 60.65 59.11 3hx0 h LYS 401 Cb 0.23 0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3hx0 h LYS 401 CO -0.25 -0.72 0.15 0.00 -0.57 0.00 0.00 179.45 178.06 3hx0 h ALA 402 N -1.01 2.02 0.39 3.86 0.00 -1.44 -2.46 119.26 120.62 3hx0 h ALA 402 Ca -0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3hx0 h ALA 402 Cb 0.87 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hx0 h ALA 402 CO 0.19 -0.24 -0.19 0.00 0.00 0.00 0.00 179.25 179.01 3hx0 h ALA 403 N 1.87 -0.55 0.00 0.00 0.00 -0.43 -3.19 119.26 116.96 3hx0 h ALA 403 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hx0 h ALA 403 Cb 0.38 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hx0 h ALA 403 CO -0.00 -0.51 0.05 1.04 0.00 0.00 0.00 179.25 179.82 3hx0 n GLN 404 N -4.91 0.00 0.00 0.00 6.02 -0.29 -1.13 117.38 117.07 3hx0 n GLN 404 Ca -0.06 0.39 0.08 0.00 -0.01 0.00 0.00 57.00 57.39 3hx0 n GLN 404 Cb 0.20 -1.55 0.36 0.00 1.02 0.00 0.00 30.24 30.28 3hx0 n GLN 404 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hx0 n ALA 405 N -1.38 1.78 -0.04 -1.58 0.00 -0.95 -1.89 120.51 116.46 3hx0 n ALA 405 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.39 3hx0 n ALA 405 Cb 0.05 -1.25 -0.12 0.00 0.00 0.00 0.00 19.45 18.13 3hx0 n ALA 405 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3hx0 n PHE 406 N -1.41 0.00 -3.29 0.00 3.72 -0.28 -4.95 117.46 111.24 3hx0 n PHE 406 Ca 0.05 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.48 3hx0 n PHE 406 Cb 0.16 -0.51 -0.03 0.00 -0.94 0.00 0.00 39.48 38.16 3hx0 n PHE 406 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3hx0 s ASN 407 N -4.21 -0.73 0.60 4.37 3.84 -0.79 -5.02 114.94 112.99 3hx0 s ASN 407 Ca -0.06 0.70 0.34 0.00 0.21 0.00 0.00 52.86 54.04 3hx0 s ASN 407 Cb 0.07 1.71 1.91 0.00 -0.55 0.00 0.00 41.25 44.39 3hx0 s ASN 407 CO 0.61 -0.14 2.24 0.77 -2.79 0.00 0.00 177.10 177.80 3hx0 h SER 408 N 7.80 0.00 0.00 -4.21 4.64 -1.87 -2.12 113.55 117.79 3hx0 h SER 408 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3hx0 h SER 408 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3hx0 h SER 408 CO 0.06 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 3hx0 n GLY 409 N -1.06 -0.78 3.69 -0.77 0.00 -1.26 -4.81 105.19 100.20 3hx0 n GLY 409 Ca -0.03 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3hx0 n GLY 409 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hx0 s LEU 410 N -1.28 4.28 -0.26 0.99 1.43 -0.80 -4.51 118.68 118.53 3hx0 s LEU 410 Ca 0.11 1.59 -0.11 0.00 -1.03 0.00 0.00 54.13 54.70 3hx0 s LEU 410 Cb 0.05 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.66 3hx0 s LEU 410 CO 0.08 -0.41 0.17 -0.22 0.23 0.00 0.00 176.35 176.20 3hx0 s LEU 411 N 1.77 4.03 0.00 1.79 2.96 -0.51 -4.88 118.68 123.84 3hx0 s LEU 411 Ca 0.50 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.49 3hx0 s LEU 411 Cb -0.20 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 3hx0 s LEU 411 CO 0.21 0.00 -0.12 0.00 -1.32 0.00 0.00 176.35 175.12 3hx0 s VAL 413 N -0.91 -0.11 -0.34 0.00 1.01 -0.10 -4.96 120.40 114.99 3hx0 s VAL 413 Ca 0.15 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.07 3hx0 s VAL 413 Cb -0.11 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.85 3hx0 s VAL 413 CO 0.05 0.07 0.72 0.00 0.00 0.00 0.00 175.10 175.94 3hx0 s ALA 414 N 1.50 3.47 0.04 5.51 0.00 -1.26 -0.25 121.76 130.77 3hx0 s ALA 414 Ca -0.07 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.22 3hx0 s ALA 414 Cb -0.10 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.75 3hx0 s ALA 414 CO -0.09 -1.34 0.00 0.00 0.00 0.00 0.00 175.76 174.33 3hx0 n GLY 416 N 5.00 0.91 0.49 0.00 0.00 -0.17 -2.49 105.19 108.93 3hx0 n GLY 416 Ca 0.00 -0.72 0.31 0.00 0.00 0.00 0.00 46.02 45.61 3hx0 n GLY 416 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hx0 h SER 417 N 3.27 0.14 0.61 1.61 4.64 -1.88 -2.49 113.55 119.45 3hx0 h SER 417 Ca 0.00 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 3hx0 h SER 417 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3hx0 h SER 417 CO 0.00 0.02 -0.30 0.22 -0.87 0.00 0.00 176.83 175.90 3hx0 h TYR 418 N 0.12 -0.79 0.00 4.77 3.20 -1.80 -2.25 116.97 120.23 3hx0 h TYR 418 Ca 0.57 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.42 3hx0 h TYR 418 Cb 1.99 0.27 0.00 0.00 1.54 0.00 0.00 36.73 40.53 3hx0 h TYR 418 CO -0.00 -0.49 0.05 -2.13 -1.64 0.00 0.00 178.16 173.96 3hx0 n ARG 419 N -4.28 0.01 -0.02 1.82 0.63 -0.95 0.03 116.66 113.89 3hx0 n ARG 419 Ca -0.10 0.46 0.12 0.00 -0.92 0.00 0.00 57.85 57.41 3hx0 n ARG 419 Cb 0.33 -1.59 0.16 0.00 0.45 0.00 0.00 32.46 31.82 3hx0 n ARG 419 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3hx0 n ARG 420 N -1.50 2.27 -1.07 -0.14 1.74 -0.98 -4.58 116.66 112.39 3hx0 n ARG 420 Ca -0.00 -1.86 -0.02 0.00 -0.77 0.00 0.00 57.85 55.20 3hx0 n ARG 420 Cb 0.06 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.02 3hx0 n ARG 420 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hx0 n GLY 421 N 1.35 0.58 3.74 -0.13 0.00 0.11 -4.49 105.19 106.34 3hx0 n GLY 421 Ca 0.15 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 3hx0 n GLY 421 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx0 s LYS 422 N -1.68 2.16 -0.08 1.61 -0.14 -0.88 -4.97 119.74 115.75 3hx0 s LYS 422 Ca 0.00 1.51 -0.14 0.00 -1.36 0.00 0.00 55.97 55.98 3hx0 s LYS 422 Cb 0.00 -1.86 -0.10 0.00 -1.68 0.00 0.00 37.83 34.18 3hx0 s LYS 422 CO 0.00 -1.77 0.48 0.00 -0.76 0.00 0.00 175.35 173.30 3hx0 h ALA 423 N -0.63 -0.14 -2.80 5.17 0.00 -1.96 -3.44 119.26 115.47 3hx0 h ALA 423 Ca -0.46 -0.18 -0.64 0.00 0.00 0.00 0.00 54.91 53.64 3hx0 h ALA 423 Cb 1.26 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 3hx0 h ALA 423 CO 0.50 -0.16 -0.49 0.95 0.00 0.00 0.00 179.25 180.05 3hx0 s THR 424 N -2.45 5.43 -0.05 0.00 -4.23 -1.26 0.37 115.64 113.44 3hx0 s THR 424 Ca -0.08 -0.14 0.01 0.00 -1.18 0.00 0.00 61.69 60.30 3hx0 s THR 424 Cb -0.00 -3.54 0.02 0.00 1.34 0.00 0.00 72.50 70.32 3hx0 s THR 424 CO 0.30 0.33 -0.06 0.00 -0.54 0.00 0.00 174.62 174.65 3hx0 h GLY 426 N 7.25 0.35 -1.91 0.00 0.00 -1.90 -1.03 103.07 105.84 3hx0 h GLY 426 Ca -0.35 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 46.63 3hx0 h GLY 426 CO 0.46 0.26 -0.01 0.51 0.00 0.00 0.00 176.54 177.75 3hx0 s ASP 427 N -6.85 0.10 -0.20 0.19 3.84 -1.26 -4.37 116.67 108.11 3hx0 s ASP 427 Ca -0.05 -1.03 -0.02 0.00 -0.00 0.00 0.00 52.55 51.44 3hx0 s ASP 427 Cb 0.14 0.67 -0.00 0.00 -1.38 0.00 0.00 42.92 42.34 3hx0 s ASP 427 CO 0.77 -1.30 -0.08 -0.69 -0.00 0.00 0.00 175.17 173.87 3hx0 s VAL 428 N -3.53 3.11 -0.49 2.11 1.01 -0.91 -4.84 120.40 116.86 3hx0 s VAL 428 Ca 0.21 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 3hx0 s VAL 428 Cb -0.02 -2.38 0.11 0.00 0.00 0.00 0.00 36.38 34.09 3hx0 s VAL 428 CO 0.11 0.46 0.39 -1.81 0.00 0.00 0.00 175.10 174.25 3hx0 s ASP 429 N 1.25 5.89 -0.21 3.32 1.01 -1.26 -0.70 116.67 125.96 3hx0 s ASP 429 Ca 0.03 -1.77 -0.14 0.00 0.71 0.00 0.00 52.55 51.37 3hx0 s ASP 429 Cb -0.14 -2.09 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 3hx0 s ASP 429 CO -0.03 -0.72 0.31 -0.69 0.21 0.00 0.00 175.17 174.24 3hx0 s VAL 430 N 1.47 5.26 -0.18 -1.27 1.01 0.18 -0.08 120.40 126.79 3hx0 s VAL 430 Ca 0.04 0.52 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 3hx0 s VAL 430 Cb -0.27 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 3hx0 s VAL 430 CO 0.01 0.29 -0.04 -0.22 0.00 0.00 0.00 175.10 175.15 3hx0 s LEU 431 N 1.15 3.10 0.08 3.92 0.20 0.65 -1.89 118.68 125.90 3hx0 s LEU 431 Ca 0.15 -0.24 0.09 0.00 0.69 0.00 0.00 54.13 54.82 3hx0 s LEU 431 Cb -0.14 -1.77 -0.04 0.00 -0.43 0.00 0.00 46.19 43.82 3hx0 s LEU 431 CO 0.06 0.09 -0.23 -0.63 -0.29 0.00 0.00 176.35 175.35 3hx0 s ILE 432 N 0.84 2.44 0.05 6.68 1.01 -0.04 -0.92 121.20 131.27 3hx0 s ILE 432 Ca -0.01 -1.49 -0.07 0.00 0.00 0.00 0.00 60.65 59.09 3hx0 s ILE 432 Cb -0.15 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.31 3hx0 s ILE 432 CO 0.02 0.22 0.33 1.07 0.00 0.00 0.00 174.94 176.58 3hx0 n THR 433 N 1.28 0.00 -3.66 2.92 5.66 -0.87 -1.60 114.28 118.01 3hx0 n THR 433 Ca -0.17 -0.17 -0.09 0.00 -3.05 0.00 0.00 64.05 60.58 3hx0 n THR 433 Cb 0.52 0.24 -0.09 0.00 -1.55 0.00 0.00 70.33 69.45 3hx0 n THR 433 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 3hx0 s HIS 434 N -4.64 -0.85 0.26 1.09 2.46 -1.26 -1.43 115.29 110.92 3hx0 s HIS 434 Ca 0.07 1.76 -0.01 0.00 0.47 0.00 0.00 55.06 57.35 3hx0 s HIS 434 Cb -0.01 0.45 0.56 0.00 -0.13 0.00 0.00 32.58 33.45 3hx0 s HIS 434 CO 0.02 -0.44 1.73 -1.35 -2.47 0.00 0.00 174.74 172.23 3hx0 h PRO 435 N 6.85 0.47 0.00 2.88 0.11 -1.97 -0.39 132.00 139.95 3hx0 h PRO 435 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3hx0 h PRO 435 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hx0 h PRO 435 CO 0.21 0.31 0.00 -0.40 -0.21 0.00 0.00 178.00 177.91 3hx0 n ASP 436 N -4.98 0.00 -3.12 -2.05 3.85 -1.26 -4.81 116.55 104.18 3hx0 n ASP 436 Ca 0.17 0.04 -0.20 0.00 -0.71 0.00 0.00 54.79 54.09 3hx0 n ASP 436 Cb 0.49 -0.09 -0.00 0.00 -1.35 0.00 0.00 41.12 40.16 3hx0 n ASP 436 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hx0 n GLY 437 N -0.95 -0.49 0.00 6.12 0.00 -0.16 -4.61 105.19 105.10 3hx0 n GLY 437 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3hx0 n GLY 437 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hx0 n ARG 438 N -3.54 0.04 0.00 1.61 -4.01 -1.26 -4.77 116.66 104.73 3hx0 n ARG 438 Ca -0.05 0.00 0.08 0.00 -1.04 0.00 0.00 57.85 56.84 3hx0 n ARG 438 Cb 0.56 -0.01 0.37 0.00 -3.04 0.00 0.00 32.46 30.34 3hx0 n ARG 438 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 3hx0 n SER 439 N -0.31 0.00 0.11 2.89 2.88 -1.26 -2.69 113.62 115.23 3hx0 n SER 439 Ca 0.00 0.49 -0.04 0.00 -1.33 0.00 0.00 58.87 57.99 3hx0 n SER 439 Cb 0.00 -0.49 0.06 0.00 -0.75 0.00 0.00 64.21 63.03 3hx0 n SER 439 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 3hx0 h HIS 440 N 0.00 0.03 -2.77 0.66 2.07 -1.90 -3.43 115.15 109.81 3hx0 h HIS 440 Ca 0.00 -0.02 -0.52 0.00 -2.85 0.00 0.00 60.37 56.98 3hx0 h HIS 440 Cb 0.29 -0.00 0.06 0.00 2.57 0.00 0.00 27.41 30.33 3hx0 h HIS 440 CO 0.00 0.78 0.99 0.54 -3.07 0.00 0.00 177.93 177.17 3hx0 n ARG 441 N -3.64 2.78 0.00 5.12 1.74 -1.10 -3.19 116.66 118.37 3hx0 n ARG 441 Ca -0.01 1.00 0.00 0.00 -0.77 0.00 0.00 57.85 58.07 3hx0 n ARG 441 Cb 0.74 -2.84 0.00 0.00 -1.02 0.00 0.00 32.46 29.34 3hx0 n ARG 441 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hx0 n GLY 442 N 3.65 2.46 0.42 -0.13 0.00 -1.26 -4.84 105.19 105.50 3hx0 n GLY 442 Ca 0.15 -0.55 0.22 0.00 0.00 0.00 0.00 46.02 45.84 3hx0 n GLY 442 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3hx0 h ILE 443 N 0.00 0.29 0.08 -0.61 -0.00 -1.82 -2.36 117.51 113.09 3hx0 h ILE 443 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 64.86 64.88 3hx0 h ILE 443 Cb 0.00 0.51 -0.04 0.00 -0.00 0.00 0.00 36.82 37.29 3hx0 h ILE 443 CO 0.00 0.00 -0.31 0.15 -0.00 0.00 0.00 178.15 177.99 3hx0 h PHE 444 N 0.00 -0.84 0.10 0.16 3.57 -1.89 0.13 116.94 118.18 3hx0 h PHE 444 Ca 0.26 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 3hx0 h PHE 444 Cb 1.49 0.36 0.00 0.00 2.79 0.00 0.00 35.95 40.59 3hx0 h PHE 444 CO 0.00 -0.41 -0.05 1.03 -2.23 0.00 0.00 178.31 176.65 3hx0 h SER 445 N -0.51 -0.12 -0.90 0.41 0.87 -1.83 -2.86 113.55 108.61 3hx0 h SER 445 Ca 0.04 -0.21 0.13 0.00 -1.23 0.00 0.00 61.79 60.52 3hx0 h SER 445 Cb 0.56 0.03 -0.09 0.00 -0.44 0.00 0.00 62.40 62.46 3hx0 h SER 445 CO -0.20 0.15 0.52 0.03 -0.53 0.00 0.00 176.83 176.79 3hx0 h ARG 446 N -0.39 0.76 0.17 2.24 -0.00 -1.52 -1.77 114.38 113.87 3hx0 h ARG 446 Ca -0.01 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.98 59.41 3hx0 h ARG 446 Cb 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 29.97 30.12 3hx0 h ARG 446 CO 0.02 0.50 -0.08 1.25 0.00 0.00 0.00 179.97 181.66 3hx0 h LEU 447 N 0.78 -0.19 -0.99 3.04 5.85 -0.67 -1.93 115.31 121.20 3hx0 h LEU 447 Ca 0.47 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 59.13 3hx0 h LEU 447 Cb 0.56 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 3hx0 h LEU 447 CO -0.31 -0.04 0.65 -0.07 -0.34 0.00 0.00 178.44 178.33 3hx0 h LEU 448 N -0.34 1.11 -0.69 2.25 3.38 -1.23 0.41 115.31 120.21 3hx0 h LEU 448 Ca -0.02 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3hx0 h LEU 448 Cb 0.26 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3hx0 h LEU 448 CO 0.04 0.79 0.44 -0.78 0.09 0.00 0.00 178.44 179.02 3hx0 h ASP 449 N 1.31 0.75 0.60 -0.43 1.82 -1.23 0.33 116.42 119.56 3hx0 h ASP 449 Ca 0.37 -0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.97 3hx0 h ASP 449 Cb -0.10 -0.18 0.01 0.00 0.68 0.00 0.00 39.33 39.74 3hx0 h ASP 449 CO -0.10 0.54 -0.29 -1.28 -1.61 0.00 0.00 179.24 176.50 3hx0 h SER 450 N 0.89 -0.68 -0.62 2.28 0.87 -0.45 0.35 113.55 116.20 3hx0 h SER 450 Ca 0.26 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 3hx0 h SER 450 Cb -0.05 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 3hx0 h SER 450 CO -0.08 -0.42 0.38 -0.07 -0.53 0.00 0.00 176.83 176.11 3hx0 h LEU 451 N -0.90 0.73 -1.15 2.23 3.38 -0.76 -0.40 115.31 118.44 3hx0 h LEU 451 Ca -0.08 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 3hx0 h LEU 451 Cb 0.65 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3hx0 h LEU 451 CO 0.13 0.56 -0.26 -0.09 0.09 0.00 0.00 178.44 178.88 3hx0 h ARG 452 N 0.84 0.00 0.00 1.13 2.43 -0.35 -2.32 114.38 116.11 3hx0 h ARG 452 Ca 0.22 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3hx0 h ARG 452 Cb -0.04 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3hx0 h ARG 452 CO -0.04 0.26 -0.78 1.96 -1.51 0.00 0.00 179.97 179.86 3hx0 h GLN 453 N 0.00 0.00 -0.57 0.20 4.20 -0.38 -3.30 115.11 115.26 3hx0 h GLN 453 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hx0 h GLN 453 Cb 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 3hx0 h GLN 453 CO 0.03 0.07 0.00 -0.85 -0.67 0.00 0.00 178.83 177.41 3hx0 n GLU 454 N -2.84 2.44 -0.99 1.46 0.28 -0.21 -4.94 120.64 115.84 3hx0 n GLU 454 Ca -0.00 -2.03 0.00 0.00 -0.16 0.00 0.00 57.16 54.97 3hx0 n GLU 454 Cb 0.59 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.97 3hx0 n GLU 454 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3hx0 n GLY 455 N 1.30 0.47 0.15 -1.84 0.00 -1.19 -4.93 105.19 99.16 3hx0 n GLY 455 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 3hx0 n GLY 455 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hx0 h PHE 456 N 0.00 0.77 -3.48 1.61 3.57 -1.70 -3.44 116.94 114.27 3hx0 h PHE 456 Ca 0.00 -0.46 -0.53 0.00 3.53 0.00 0.00 57.97 60.51 3hx0 h PHE 456 Cb 0.14 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 3hx0 h PHE 456 CO 0.09 1.30 0.31 -0.51 -2.23 0.00 0.00 178.31 177.27 3hx0 s LEU 457 N -8.10 4.43 -0.27 0.59 1.43 -1.19 -2.95 118.68 112.62 3hx0 s LEU 457 Ca -0.12 1.65 -0.08 0.00 -1.03 0.00 0.00 54.13 54.55 3hx0 s LEU 457 Cb 0.04 -3.49 -0.14 0.00 0.03 0.00 0.00 46.19 42.64 3hx0 s LEU 457 CO 0.87 -0.12 -0.31 0.35 0.23 0.00 0.00 176.35 177.37 3hx0 n THR 458 N 3.23 1.50 -4.11 5.49 -2.24 -0.23 -4.85 114.28 113.06 3hx0 n THR 458 Ca 0.02 -0.45 -0.09 0.00 -2.27 0.00 0.00 64.05 61.26 3hx0 n THR 458 Cb 0.50 -1.71 -0.10 0.00 -2.10 0.00 0.00 70.33 66.93 3hx0 n THR 458 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3hx0 s ASP 459 N -7.13 0.30 -0.18 3.42 1.11 -1.18 -5.00 116.67 108.02 3hx0 s ASP 459 Ca -0.37 -1.13 0.01 0.00 0.18 0.00 0.00 52.55 51.24 3hx0 s ASP 459 Cb 0.13 0.30 0.03 0.00 1.07 0.00 0.00 42.92 44.45 3hx0 s ASP 459 CO 0.52 -0.73 -0.12 -1.81 1.18 0.00 0.00 175.17 174.22 3hx0 s ASP 460 N -3.02 3.08 -0.09 0.27 1.11 -1.26 -1.41 116.67 115.35 3hx0 s ASP 460 Ca 0.20 -0.71 -0.15 0.00 0.18 0.00 0.00 52.55 52.07 3hx0 s ASP 460 Cb 0.07 -1.21 -0.28 0.00 1.07 0.00 0.00 42.92 42.57 3hx0 s ASP 460 CO -0.00 -0.11 0.60 -0.07 1.18 0.00 0.00 175.17 176.77 3hx0 h LEU 461 N 8.01 0.44 -6.32 1.23 3.38 -0.60 -3.42 115.31 118.03 3hx0 h LEU 461 Ca -0.32 -0.88 -0.56 0.00 0.09 0.00 0.00 57.88 56.21 3hx0 h LEU 461 Cb 1.11 -0.14 -0.37 0.00 0.09 0.00 0.00 40.66 41.35 3hx0 h LEU 461 CO 0.50 1.64 -0.93 -0.69 0.09 0.00 0.00 178.44 179.06 3hx0 s VAL 462 N -2.50 0.21 0.41 1.22 1.01 0.16 -4.84 120.40 116.07 3hx0 s VAL 462 Ca -0.19 -2.37 0.28 0.00 0.00 0.00 0.00 61.98 59.71 3hx0 s VAL 462 Cb 0.04 -1.14 0.45 0.00 0.00 0.00 0.00 36.38 35.73 3hx0 s VAL 462 CO 0.79 -1.12 1.53 -1.20 0.00 0.00 0.00 175.10 175.10 3hx0 n SER 463 N 3.07 0.24 -3.56 3.32 7.64 -1.26 -2.40 113.62 120.67 3hx0 n SER 463 Ca 0.26 1.43 -0.12 0.00 1.01 0.00 0.00 58.87 61.45 3hx0 n SER 463 Cb 0.47 -0.70 -0.05 0.00 -1.01 0.00 0.00 64.21 62.91 3hx0 n SER 463 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3hx0 s GLN 464 N -5.29 0.70 -0.11 1.43 0.74 -1.26 -4.81 119.66 111.07 3hx0 s GLN 464 Ca -0.08 0.16 -0.04 0.00 0.05 0.00 0.00 55.36 55.45 3hx0 s GLN 464 Cb 0.31 0.33 0.05 0.00 1.10 0.00 0.00 33.01 34.80 3hx0 s GLN 464 CO 0.79 -0.22 0.21 -2.00 -0.55 0.00 0.00 175.29 173.52 3hx0 s GLU 465 N -1.17 0.10 -1.06 1.67 2.12 -0.83 -4.98 118.70 114.56 3hx0 s GLU 465 Ca -0.04 0.63 -0.04 0.00 0.36 0.00 0.00 54.97 55.89 3hx0 s GLU 465 Cb -0.00 -0.15 0.15 0.00 0.26 0.00 0.00 34.13 34.39 3hx0 s GLU 465 CO 0.03 -0.28 2.37 0.39 -0.54 0.00 0.00 175.26 177.24 3hx0 n GLU 466 N 5.18 4.15 -2.31 4.30 -0.58 -1.26 -2.25 120.64 127.88 3hx0 n GLU 466 Ca -0.08 -3.40 -0.43 0.00 -0.42 0.00 0.00 57.16 52.83 3hx0 n GLU 466 Cb 0.50 -2.48 -0.02 0.00 -0.57 0.00 0.00 31.44 28.87 3hx0 n GLU 466 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3hx0 s ASN 467 N 0.04 6.77 1.21 1.62 2.47 -1.14 -4.79 114.94 121.11 3hx0 s ASN 467 Ca 0.53 1.69 0.00 0.00 0.42 0.00 0.00 52.86 55.50 3hx0 s ASN 467 Cb 0.24 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.51 3hx0 s ASN 467 CO -0.15 -0.91 0.00 0.61 -3.72 0.00 0.00 177.10 172.93 3hx0 n GLY 468 N 3.97 3.26 1.29 1.21 0.00 -1.26 0.07 105.19 113.73 3hx0 n GLY 468 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 3hx0 n GLY 468 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hx0 n GLN 469 N 14.00 3.45 -3.91 1.61 7.27 -1.26 -4.96 117.38 133.58 3hx0 n GLN 469 Ca 0.00 -2.73 -0.21 0.00 0.07 0.00 0.00 57.00 54.13 3hx0 n GLN 469 Cb 0.00 -1.77 -0.03 0.00 2.41 0.00 0.00 30.24 30.84 3hx0 n GLN 469 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 3hx0 s GLN 470 N -1.87 2.97 -0.14 3.69 -0.21 0.11 -4.65 119.66 119.56 3hx0 s GLN 470 Ca 0.45 -1.08 -0.01 0.00 0.02 0.00 0.00 55.36 54.74 3hx0 s GLN 470 Cb 0.29 -2.62 0.04 0.00 1.00 0.00 0.00 33.01 31.72 3hx0 s GLN 470 CO 0.20 0.26 -0.03 -0.65 -2.12 0.00 0.00 175.29 172.95 3hx0 s GLN 471 N -3.96 1.17 0.02 2.91 -0.21 -1.01 -2.90 119.66 115.68 3hx0 s GLN 471 Ca 0.37 -0.30 0.06 0.00 0.02 0.00 0.00 55.36 55.51 3hx0 s GLN 471 Cb -0.08 -1.69 -0.03 0.00 1.00 0.00 0.00 33.01 32.21 3hx0 s GLN 471 CO 0.27 -0.39 -0.16 0.15 -2.12 0.00 0.00 175.29 173.04 3hx0 s LYS 472 N 1.76 2.20 -0.04 2.91 -0.14 -0.95 -1.20 119.74 124.28 3hx0 s LYS 472 Ca 0.02 -0.90 0.04 0.00 -1.36 0.00 0.00 55.97 53.77 3hx0 s LYS 472 Cb -0.14 -2.26 -0.00 0.00 -1.68 0.00 0.00 37.83 33.74 3hx0 s LYS 472 CO -0.07 0.56 -0.16 -0.47 -0.76 0.00 0.00 175.35 174.45 3hx0 s TYR 473 N -0.91 1.57 -0.26 3.18 5.04 0.77 -1.97 117.35 124.78 3hx0 s TYR 473 Ca 0.15 -0.42 -0.00 0.00 -2.44 0.00 0.00 57.07 54.36 3hx0 s TYR 473 Cb -0.11 -1.05 0.08 0.00 0.35 0.00 0.00 41.96 41.23 3hx0 s TYR 473 CO 0.05 -0.13 0.02 -0.51 -1.34 0.00 0.00 175.55 173.64 3hx0 s LEU 474 N -0.02 2.37 0.00 6.97 1.43 -1.01 -2.37 118.68 126.05 3hx0 s LEU 474 Ca -0.02 -1.34 -0.00 0.00 -1.03 0.00 0.00 54.13 51.74 3hx0 s LEU 474 Cb -0.10 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.13 3hx0 s LEU 474 CO 0.01 -0.32 0.10 0.61 0.23 0.00 0.00 176.35 176.98 3hx0 n GLY 475 N 4.77 2.95 3.45 -3.19 0.00 -1.09 0.37 105.19 112.45 3hx0 n GLY 475 Ca -0.07 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 3hx0 n GLY 475 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hx0 s VAL 476 N -2.50 2.63 0.00 1.61 1.01 -0.50 -0.43 120.40 122.22 3hx0 s VAL 476 Ca 0.06 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.51 3hx0 s VAL 476 Cb -0.00 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 3hx0 s VAL 476 CO 0.04 0.14 0.00 0.00 0.00 0.00 0.00 175.10 175.29 3hx0 s ARG 478 N -2.00 0.01 0.57 0.00 3.52 -1.15 -1.53 118.95 118.37 3hx0 s ARG 478 Ca 0.00 0.03 -0.20 0.00 -0.13 0.00 0.00 55.73 55.43 3hx0 s ARG 478 Cb 0.00 0.02 -0.05 0.00 -1.56 0.00 0.00 34.95 33.36 3hx0 s ARG 478 CO 0.00 -0.01 1.19 1.28 -0.81 0.00 0.00 175.30 176.95 3hx0 n LEU 479 N 4.82 4.79 -4.49 -0.88 4.77 -1.26 -4.85 117.00 119.89 3hx0 n LEU 479 Ca -0.07 0.90 -0.30 0.00 -0.03 0.00 0.00 56.01 56.50 3hx0 n LEU 479 Cb 0.56 -1.49 0.20 0.00 -2.33 0.00 0.00 43.42 40.35 3hx0 n LEU 479 CO -0.08 -1.15 0.32 -2.65 -1.33 0.00 0.00 177.39 172.49 3hx0 n PRO 480 N -1.09 -1.44 0.00 3.23 -0.02 -1.26 -4.88 135.00 129.54 3hx0 n PRO 480 Ca 0.12 -0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 3hx0 n PRO 480 Cb 0.46 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3hx0 n PRO 480 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hx0 n GLY 481 N 1.01 1.19 3.93 -1.23 0.00 -1.26 -4.98 105.19 103.85 3hx0 n GLY 481 Ca 0.06 -2.12 -0.26 0.00 0.00 0.00 0.00 46.02 43.70 3hx0 n GLY 481 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hx0 s PRO 482 N -1.51 2.18 -1.61 1.61 0.04 -1.26 -4.45 135.00 130.00 3hx0 s PRO 482 Ca 0.00 -0.29 -0.14 0.00 0.04 0.00 0.00 61.00 60.61 3hx0 s PRO 482 Cb 0.00 -2.18 0.14 0.00 0.04 0.00 0.00 34.50 32.49 3hx0 s PRO 482 CO 0.00 -1.24 0.34 0.41 0.04 0.00 0.00 177.00 176.55 3hx0 n GLY 483 N -2.91 -0.27 3.95 0.56 0.00 -1.26 -4.92 105.19 100.34 3hx0 n GLY 483 Ca 0.08 0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 3hx0 n GLY 483 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hx0 s ARG 484 N -6.83 3.26 -0.08 1.61 1.81 -1.26 -5.10 118.95 112.35 3hx0 s ARG 484 Ca 0.47 -0.45 -0.02 0.00 -1.72 0.00 0.00 55.73 54.01 3hx0 s ARG 484 Cb -0.28 -2.62 -0.03 0.00 -0.45 0.00 0.00 34.95 31.57 3hx0 s ARG 484 CO 0.93 -0.06 0.03 1.03 -0.68 0.00 0.00 175.30 176.55 3hx0 s ARG 485 N -4.43 3.04 -0.70 3.54 1.81 -1.26 -5.05 118.95 115.91 3hx0 s ARG 485 Ca 0.44 -0.38 -0.27 0.00 -1.72 0.00 0.00 55.73 53.80 3hx0 s ARG 485 Cb -0.10 -2.85 0.02 0.00 -0.45 0.00 0.00 34.95 31.57 3hx0 s ARG 485 CO 0.37 0.71 1.40 -1.01 -0.68 0.00 0.00 175.30 176.08 3hx0 s HIS 486 N -0.94 2.18 0.13 -0.53 3.76 -1.26 -4.57 115.29 114.06 3hx0 s HIS 486 Ca 0.15 0.17 -0.01 0.00 -0.15 0.00 0.00 55.06 55.22 3hx0 s HIS 486 Cb -0.11 -4.51 -0.04 0.00 1.11 0.00 0.00 32.58 29.03 3hx0 s HIS 486 CO 0.04 -2.09 0.30 1.03 -0.85 0.00 0.00 174.74 173.16 3hx0 s ARG 487 N 5.93 3.49 0.04 1.40 1.81 -0.58 -4.49 118.95 126.55 3hx0 s ARG 487 Ca 0.43 -0.38 -0.24 0.00 -1.72 0.00 0.00 55.73 53.82 3hx0 s ARG 487 Cb -0.09 -2.94 -0.05 0.00 -0.45 0.00 0.00 34.95 31.42 3hx0 s ARG 487 CO 0.17 0.52 0.74 0.50 -0.68 0.00 0.00 175.30 176.55 3hx0 s ARG 488 N -2.87 4.47 0.16 3.54 3.52 -1.26 -0.28 118.95 126.24 3hx0 s ARG 488 Ca 0.37 1.02 0.10 0.00 -0.13 0.00 0.00 55.73 57.09 3hx0 s ARG 488 Cb -0.12 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 3hx0 s ARG 488 CO 0.28 0.29 -0.23 -1.17 -0.81 0.00 0.00 175.30 173.65 3hx0 s LEU 489 N -0.05 2.39 -0.05 -0.88 2.96 0.43 -2.15 118.68 121.34 3hx0 s LEU 489 Ca 0.38 -0.81 -0.00 0.00 -0.22 0.00 0.00 54.13 53.47 3hx0 s LEU 489 Cb -0.20 -1.08 0.03 0.00 0.50 0.00 0.00 46.19 45.44 3hx0 s LEU 489 CO 0.22 0.10 0.00 -1.81 -1.32 0.00 0.00 176.35 173.54 3hx0 s ASP 490 N -2.41 0.97 -0.07 3.68 1.11 0.12 -2.68 116.67 117.39 3hx0 s ASP 490 Ca 0.16 -0.05 0.00 0.00 0.18 0.00 0.00 52.55 52.85 3hx0 s ASP 490 Cb -0.08 -0.32 0.02 0.00 1.07 0.00 0.00 42.92 43.61 3hx0 s ASP 490 CO 0.07 -0.14 -0.05 -0.63 1.18 0.00 0.00 175.17 175.60 3hx0 s ILE 491 N 1.45 0.71 -0.03 0.77 1.01 -1.00 0.52 121.20 124.63 3hx0 s ILE 491 Ca -0.03 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.47 3hx0 s ILE 491 Cb -0.13 -0.75 0.02 0.00 0.01 0.00 0.00 42.46 41.61 3hx0 s ILE 491 CO -0.03 0.29 -0.02 0.27 0.00 0.00 0.00 174.94 175.46 3hx0 s ILE 492 N 1.37 0.28 -0.11 2.92 -5.25 -0.79 -0.16 121.20 119.45 3hx0 s ILE 492 Ca -0.03 -0.01 -0.06 0.00 -0.99 0.00 0.00 60.65 59.57 3hx0 s ILE 492 Cb -0.14 -0.33 -0.04 0.00 2.95 0.00 0.00 42.46 44.91 3hx0 s ILE 492 CO -0.03 0.15 0.10 -0.69 -1.79 0.00 0.00 174.94 172.68 3hx0 s VAL 493 N 0.78 5.16 -0.02 8.37 1.01 -0.34 -0.86 120.40 134.50 3hx0 s VAL 493 Ca -0.08 0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 3hx0 s VAL 493 Cb -0.12 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.04 3hx0 s VAL 493 CO -0.01 0.61 0.14 0.68 0.00 0.00 0.00 175.10 176.53 3hx0 s VAL 494 N -0.97 0.06 0.45 2.92 -7.23 -0.63 -2.41 120.40 112.58 3hx0 s VAL 494 Ca 0.14 -0.47 -0.24 0.00 -1.81 0.00 0.00 61.98 59.61 3hx0 s VAL 494 Cb -0.12 -0.36 -0.08 0.00 0.56 0.00 0.00 36.38 36.39 3hx0 s VAL 494 CO 0.03 -0.26 1.28 -2.84 -0.31 0.00 0.00 175.10 173.00 3hx0 s PRO 495 N -0.89 3.74 0.12 4.82 0.02 -1.26 -4.39 135.00 137.15 3hx0 s PRO 495 Ca -0.10 2.07 0.08 0.00 0.02 0.00 0.00 61.00 63.07 3hx0 s PRO 495 Cb -0.05 -2.56 0.42 0.00 0.02 0.00 0.00 34.50 32.32 3hx0 s PRO 495 CO 0.01 -0.65 1.23 0.98 -0.33 0.00 0.00 177.00 178.24 3hx0 n TYR 496 N -0.27 0.26 0.25 6.54 9.36 -1.26 0.17 117.16 132.21 3hx0 n TYR 496 Ca 0.06 0.14 0.14 0.00 3.32 0.00 0.00 57.90 61.56 3hx0 n TYR 496 Cb 0.45 -0.71 0.57 0.00 -0.63 0.00 0.00 39.34 39.02 3hx0 n TYR 496 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 3hx0 h SER 497 N 0.00 0.00 -0.00 2.98 0.02 -1.90 -3.13 113.55 111.52 3hx0 h SER 497 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hx0 h SER 497 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3hx0 h SER 497 CO 0.00 0.09 -0.00 -0.62 -1.14 0.00 0.00 176.83 175.16 3hx0 n GLU 498 N -3.22 0.04 -0.34 3.45 1.02 0.13 -4.76 120.64 116.96 3hx0 n GLU 498 Ca 0.01 -0.45 0.25 0.00 -0.02 0.00 0.00 57.16 56.95 3hx0 n GLU 498 Cb 0.37 -0.94 0.52 0.00 -0.02 0.00 0.00 31.44 31.37 3hx0 n GLU 498 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3hx0 h PHE 499 N 0.04 0.67 0.00 -0.32 3.57 -1.31 0.15 116.94 119.74 3hx0 h PHE 499 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3hx0 h PHE 499 Cb 0.01 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.56 3hx0 h PHE 499 CO 0.00 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 176.08 3hx0 n ALA 500 N -2.46 -0.45 0.24 2.41 0.00 -1.26 -1.08 120.51 117.91 3hx0 n ALA 500 Ca 0.28 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.78 3hx0 n ALA 500 Cb 0.97 0.03 0.57 0.00 0.00 0.00 0.00 19.45 21.02 3hx0 n ALA 500 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hx0 h ALA 502 N 1.90 -0.70 -0.03 0.00 0.00 -0.65 -1.06 119.26 118.72 3hx0 h ALA 502 Ca -0.00 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3hx0 h ALA 502 Cb 0.18 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3hx0 h ALA 502 CO 0.01 -0.84 -0.19 1.25 0.00 0.00 0.00 179.25 179.48 3hx0 h LEU 503 N -0.79 -0.58 -1.10 0.00 5.85 -0.85 -2.01 115.31 115.83 3hx0 h LEU 503 Ca -0.07 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.84 3hx0 h LEU 503 Cb 0.58 0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 3hx0 h LEU 503 CO 0.12 -0.26 0.61 0.25 -0.34 0.00 0.00 178.44 178.82 3hx0 h LEU 504 N -0.30 0.89 0.69 2.25 5.85 -1.43 -1.58 115.31 121.68 3hx0 h LEU 504 Ca 0.07 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3hx0 h LEU 504 Cb 0.39 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.27 3hx0 h LEU 504 CO -0.21 0.51 -0.33 0.22 -0.34 0.00 0.00 178.44 178.29 3hx0 h TYR 505 N 0.97 -0.86 0.00 1.25 3.20 -0.61 -3.17 116.97 117.75 3hx0 h TYR 505 Ca 0.45 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.30 3hx0 h TYR 505 Cb 0.41 0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.97 3hx0 h TYR 505 CO -0.00 -0.52 0.00 0.74 -1.64 0.00 0.00 178.16 176.74 3hx0 h PHE 506 N -1.22 0.00 -0.08 -3.82 0.04 -1.32 -1.60 116.94 108.93 3hx0 h PHE 506 Ca -0.09 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.53 3hx0 h PHE 506 Cb 0.72 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 3hx0 h PHE 506 CO 0.00 0.00 -0.60 1.15 -0.60 0.00 0.00 178.31 178.26 3hx0 h THR 507 N 0.00 1.38 -0.22 -1.55 2.02 -1.28 -0.41 112.91 112.85 3hx0 h THR 507 Ca 0.00 -1.96 0.00 0.00 0.77 0.00 0.00 66.41 65.22 3hx0 h THR 507 Cb 0.27 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 3hx0 h THR 507 CO 0.00 0.58 0.00 0.61 0.37 0.00 0.00 175.52 177.08 3hx0 n GLY 508 N 0.27 -0.23 3.82 2.16 0.00 -0.60 -3.49 105.19 107.11 3hx0 n GLY 508 Ca -0.02 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 3hx0 n GLY 508 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hx0 s SER 509 N -4.00 3.91 0.40 1.61 1.04 -1.05 -4.70 113.70 110.92 3hx0 s SER 509 Ca 0.00 0.94 0.12 0.00 0.48 0.00 0.00 55.95 57.49 3hx0 s SER 509 Cb 0.00 -1.51 0.94 0.00 0.10 0.00 0.00 66.02 65.55 3hx0 s SER 509 CO 0.00 -2.30 1.93 0.00 0.98 0.00 0.00 173.24 173.86 3hx0 h ALA 510 N -1.32 1.95 -0.27 5.32 0.00 -1.91 0.18 119.26 123.21 3hx0 h ALA 510 Ca -0.49 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 3hx0 h ALA 510 Cb 1.33 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3hx0 h ALA 510 CO 0.63 -0.13 -0.40 0.00 0.00 0.00 0.00 179.25 179.36 3hx0 h ALA 511 N 1.64 0.42 -0.06 0.00 0.00 -1.95 -2.31 119.26 117.00 3hx0 h ALA 511 Ca 0.35 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hx0 h ALA 511 Cb 0.63 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hx0 h ALA 511 CO -0.12 0.52 0.04 0.35 0.00 0.00 0.00 179.25 180.03 3hx0 h PHE 512 N 0.50 0.09 -0.60 0.00 3.04 -1.09 -1.73 116.94 117.15 3hx0 h PHE 512 Ca 0.03 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.02 3hx0 h PHE 512 Cb 0.99 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 39.43 3hx0 h PHE 512 CO 0.08 0.11 0.35 -0.91 -2.02 0.00 0.00 178.31 175.92 3hx0 h ASN 513 N 0.03 0.54 -0.94 0.41 2.35 -0.76 0.83 115.58 118.05 3hx0 h ASN 513 Ca 0.02 0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.84 3hx0 h ASN 513 Cb 0.05 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.26 3hx0 h ASN 513 CO -0.00 0.37 0.60 0.00 -1.65 0.00 0.00 177.43 176.74 3hx0 h ALA 514 N 1.28 1.28 0.11 -0.83 0.00 -1.21 0.48 119.26 120.38 3hx0 h ALA 514 Ca 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3hx0 h ALA 514 Cb 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3hx0 h ALA 514 CO -0.13 0.39 -0.05 0.77 0.00 0.00 0.00 179.25 180.23 3hx0 h SER 515 N 1.10 -0.12 -0.90 0.00 0.02 -0.28 -1.88 113.55 111.49 3hx0 h SER 515 Ca 0.40 -0.36 0.20 0.00 -0.84 0.00 0.00 61.79 61.19 3hx0 h SER 515 Cb 0.13 0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.64 3hx0 h SER 515 CO -0.16 0.31 0.59 -0.03 -1.14 0.00 0.00 176.83 176.41 3hx0 h MET 516 N -0.60 0.39 0.46 3.45 -1.53 0.12 -2.44 114.93 114.79 3hx0 h MET 516 Ca -0.02 -0.02 -0.02 0.00 -3.44 0.00 0.00 59.70 56.20 3hx0 h MET 516 Cb 0.47 -0.09 0.00 0.00 -0.55 0.00 0.00 31.60 31.44 3hx0 h MET 516 CO 0.02 0.26 -0.22 0.00 0.14 0.00 0.00 176.91 177.12 3hx0 h ARG 517 N 0.40 -0.59 -1.29 0.39 3.08 0.10 -3.10 114.38 113.37 3hx0 h ARG 517 Ca 0.47 0.04 0.38 0.00 0.07 0.00 0.00 59.98 60.93 3hx0 h ARG 517 Cb 1.16 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 31.29 3hx0 h ARG 517 CO -0.17 -0.39 0.99 0.00 -1.07 0.00 0.00 179.97 179.32 3hx0 h ALA 518 N -1.29 3.20 0.01 0.04 0.00 -0.91 0.77 119.26 121.08 3hx0 h ALA 518 Ca -0.06 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 3hx0 h ALA 518 Cb 0.47 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3hx0 h ALA 518 CO 0.10 -1.66 -0.95 1.25 0.00 0.00 0.00 179.25 178.00 3hx0 h LEU 519 N 0.00 0.51 -0.98 0.00 6.46 -1.47 -2.98 115.31 116.85 3hx0 h LEU 519 Ca 0.61 -0.41 -0.10 0.00 -0.12 0.00 0.00 57.88 57.86 3hx0 h LEU 519 Cb 2.59 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 42.35 3hx0 h LEU 519 CO -0.01 1.22 -0.34 0.00 -0.62 0.00 0.00 178.44 178.69 3hx0 h ALA 520 N 0.75 1.13 0.00 1.25 0.00 0.60 -2.25 119.26 120.75 3hx0 h ALA 520 Ca -0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3hx0 h ALA 520 Cb 1.59 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 3hx0 h ALA 520 CO 0.16 0.56 -0.04 -0.22 0.00 0.00 0.00 179.25 179.71 3hx0 h LYS 521 N 0.28 0.00 -0.01 0.00 3.64 -1.21 0.25 116.57 119.52 3hx0 h LYS 521 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3hx0 h LYS 521 Cb 0.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3hx0 h LYS 521 CO 0.06 0.04 -0.18 0.25 -2.27 0.00 0.00 179.45 177.34 3hx0 n THR 522 N -3.18 0.00 -1.43 1.00 -2.24 -0.85 -3.63 114.28 103.95 3hx0 n THR 522 Ca -0.00 -0.15 0.07 0.00 -2.27 0.00 0.00 64.05 61.70 3hx0 n THR 522 Cb 0.28 0.35 0.18 0.00 -2.10 0.00 0.00 70.33 69.04 3hx0 n THR 522 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hx0 n LYS 523 N -0.51 1.42 -3.52 -0.78 5.02 -0.67 -4.96 118.16 114.16 3hx0 n LYS 523 Ca 0.14 -2.99 -0.22 0.00 -2.02 0.00 0.00 58.31 53.23 3hx0 n LYS 523 Cb 0.34 -1.53 0.08 0.00 -0.02 0.00 0.00 35.03 33.90 3hx0 n LYS 523 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hx0 n GLY 524 N -1.19 -0.46 0.04 0.72 0.00 -1.16 -4.96 105.19 98.18 3hx0 n GLY 524 Ca 0.17 0.19 -0.00 0.00 0.00 0.00 0.00 46.02 46.38 3hx0 n GLY 524 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3hx0 n MET 525 N -4.67 0.07 -3.61 1.61 2.81 0.81 -1.50 117.12 112.63 3hx0 n MET 525 Ca -0.06 -0.04 -0.11 0.00 -1.81 0.00 0.00 57.70 55.68 3hx0 n MET 525 Cb 0.58 0.03 -0.07 0.00 -0.71 0.00 0.00 33.22 33.06 3hx0 n MET 525 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3hx0 s SER 526 N -1.03 -0.49 0.01 7.83 1.04 -0.71 -3.49 113.70 116.84 3hx0 s SER 526 Ca 0.00 0.84 0.05 0.00 0.48 0.00 0.00 55.95 57.33 3hx0 s SER 526 Cb 0.00 0.82 -0.02 0.00 0.10 0.00 0.00 66.02 66.92 3hx0 s SER 526 CO 0.00 -0.24 -0.16 -0.22 0.98 0.00 0.00 173.24 173.60 3hx0 s LEU 527 N -0.15 2.08 0.00 2.42 2.96 -1.26 -0.88 118.68 123.85 3hx0 s LEU 527 Ca 0.01 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 3hx0 s LEU 527 Cb -0.04 -0.78 -0.01 0.00 0.50 0.00 0.00 46.19 45.87 3hx0 s LEU 527 CO -0.02 0.15 0.32 -1.54 -1.32 0.00 0.00 176.35 173.94 3hx0 n SER 528 N 2.42 -0.87 0.02 3.68 3.41 -1.24 -4.94 113.62 116.10 3hx0 n SER 528 Ca -0.16 -2.74 0.07 0.00 -0.26 0.00 0.00 58.87 55.79 3hx0 n SER 528 Cb 0.54 1.77 0.31 0.00 -0.26 0.00 0.00 64.21 66.57 3hx0 n SER 528 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3hx0 n GLU 529 N -0.51 0.03 -0.07 4.33 0.00 -1.26 -3.35 120.64 119.80 3hx0 n GLU 529 Ca 0.04 0.31 -0.07 0.00 0.00 0.00 0.00 57.16 57.44 3hx0 n GLU 529 Cb 0.51 -1.57 -0.03 0.00 0.00 0.00 0.00 31.44 30.35 3hx0 n GLU 529 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3hx0 h HIS 530 N 0.00 0.00 -1.30 -1.84 3.86 -1.90 -3.13 115.15 110.84 3hx0 h HIS 530 Ca 0.00 0.00 0.28 0.00 -1.16 0.00 0.00 60.37 59.49 3hx0 h HIS 530 Cb 0.23 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 28.50 3hx0 h HIS 530 CO 0.00 0.23 0.88 0.00 0.86 0.00 0.00 177.93 179.90 3hx0 s ALA 531 N -2.66 -2.12 -0.19 2.45 0.00 -1.21 -4.61 121.76 113.41 3hx0 s ALA 531 Ca -0.16 1.73 -0.29 0.00 0.00 0.00 0.00 51.96 53.24 3hx0 s ALA 531 Cb 0.02 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 3hx0 s ALA 531 CO 0.26 -0.55 1.08 -1.17 0.00 0.00 0.00 175.76 175.38 3hx0 s LEU 532 N -2.04 4.15 0.39 0.00 2.96 -1.26 -3.61 118.68 119.27 3hx0 s LEU 532 Ca 0.10 1.48 0.06 0.00 -0.22 0.00 0.00 54.13 55.55 3hx0 s LEU 532 Cb -0.01 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.07 3hx0 s LEU 532 CO -0.04 -0.65 0.03 -0.44 -1.32 0.00 0.00 176.35 173.93 3hx0 s SER 533 N 1.34 3.45 0.63 3.68 0.01 -0.06 -1.40 113.70 121.35 3hx0 s SER 533 Ca 0.47 -1.40 -0.02 0.00 1.31 0.00 0.00 55.95 56.32 3hx0 s SER 533 Cb -0.17 -0.23 0.07 0.00 0.21 0.00 0.00 66.02 65.90 3hx0 s SER 533 CO 0.10 -0.53 0.45 1.07 0.41 0.00 0.00 173.24 174.75 3hx0 n THR 534 N -0.91 0.00 -1.15 1.44 5.66 -0.31 -1.75 114.28 117.27 3hx0 n THR 534 Ca -0.05 -0.61 -0.37 0.00 -3.05 0.00 0.00 64.05 59.97 3hx0 n THR 534 Cb 0.67 -1.31 0.05 0.00 -1.55 0.00 0.00 70.33 68.19 3hx0 n THR 534 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hx0 n ALA 535 N -3.05 -3.05 -3.37 1.79 0.00 -0.57 -4.52 120.51 107.75 3hx0 n ALA 535 Ca -0.07 -0.33 -0.40 0.00 0.00 0.00 0.00 53.44 52.63 3hx0 n ALA 535 Cb 0.25 -1.55 -0.10 0.00 0.00 0.00 0.00 19.45 18.05 3hx0 n ALA 535 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hx0 s VAL 536 N -2.00 4.12 -0.78 0.00 -7.23 -1.26 -4.03 120.40 109.23 3hx0 s VAL 536 Ca 0.56 -1.50 -0.30 0.00 -1.81 0.00 0.00 61.98 58.93 3hx0 s VAL 536 Cb -0.33 -3.57 -0.19 0.00 0.56 0.00 0.00 36.38 32.85 3hx0 s VAL 536 CO 0.67 -0.54 2.26 0.52 -0.31 0.00 0.00 175.10 177.70 3hx0 n VAL 537 N 4.88 0.00 -3.97 1.32 0.31 -1.13 -4.89 118.33 114.85 3hx0 n VAL 537 Ca -0.09 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.94 3hx0 n VAL 537 Cb 0.43 -0.44 -0.16 0.00 -0.91 0.00 0.00 33.84 32.75 3hx0 n VAL 537 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hx0 s ARG 538 N 7.30 1.90 0.44 5.55 1.70 -1.25 -2.49 118.95 132.09 3hx0 s ARG 538 Ca 1.16 -0.73 -0.03 0.00 -0.47 0.00 0.00 55.73 55.66 3hx0 s ARG 538 Cb -1.16 -2.28 -0.03 0.00 -0.57 0.00 0.00 34.95 30.91 3hx0 s ARG 538 CO 0.47 -0.41 0.70 0.54 -1.08 0.00 0.00 175.30 175.52 3hx0 s ASN 539 N 1.47 6.26 0.00 -2.89 2.20 -1.26 -4.56 114.94 116.16 3hx0 s ASN 539 Ca -0.00 0.75 0.00 0.00 -0.94 0.00 0.00 52.86 52.67 3hx0 s ASN 539 Cb -0.16 -2.16 0.00 0.00 -2.00 0.00 0.00 41.25 36.93 3hx0 s ASN 539 CO -0.08 -0.48 0.00 0.41 -2.94 0.00 0.00 177.10 174.00 3hx0 n THR 540 N -2.10 0.00 -0.28 0.54 -1.04 -1.26 0.71 114.28 110.86 3hx0 n THR 540 Ca -0.01 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.15 3hx0 n THR 540 Cb 0.56 0.00 0.43 0.00 -1.82 0.00 0.00 70.33 69.49 3hx0 n THR 540 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 3hx0 h HIS 541 N 0.00 0.74 0.00 -1.42 3.86 -2.01 -3.46 115.15 112.86 3hx0 h HIS 541 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3hx0 h HIS 541 Cb 0.00 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.24 3hx0 h HIS 541 CO 0.00 0.22 0.00 0.41 0.86 0.00 0.00 177.93 179.42 3hx0 n GLY 542 N -1.45 0.73 0.00 2.45 0.00 0.22 -5.15 105.19 101.99 3hx0 n GLY 542 Ca 0.19 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3hx0 n GLY 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hx0 n ALA 543 N 0.00 0.00 -2.16 4.61 0.00 -1.25 -4.91 120.51 116.79 3hx0 n ALA 543 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 3hx0 n ALA 543 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 3hx0 n ALA 543 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3hx0 s LYS 544 N 3.74 2.85 0.00 0.00 0.00 -1.26 -3.87 119.74 121.20 3hx0 s LYS 544 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 55.97 55.52 3hx0 s LYS 544 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 37.83 35.37 3hx0 s LYS 544 CO 0.00 -0.53 0.00 1.33 0.00 0.00 0.00 175.35 176.15 3hx0 n VAL 545 N -2.30 0.00 0.00 1.79 0.24 -1.04 -4.29 118.33 112.73 3hx0 n VAL 545 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 3hx0 n VAL 545 Cb 0.58 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 3hx0 n VAL 545 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hx0 n GLY 546 N 0.00 4.41 3.41 7.63 0.00 -1.25 -4.96 105.19 114.43 3hx0 n GLY 546 Ca 0.00 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 3hx0 n GLY 546 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hx0 s PRO 547 N -2.76 -1.72 0.04 1.61 0.02 -1.26 -2.85 135.00 128.07 3hx0 s PRO 547 Ca 0.00 0.68 0.02 0.00 0.02 0.00 0.00 61.00 61.72 3hx0 s PRO 547 Cb 0.00 -1.47 -0.04 0.00 0.02 0.00 0.00 34.50 33.01 3hx0 s PRO 547 CO 0.00 -4.22 0.05 0.20 -0.33 0.00 0.00 177.00 172.71 3hx0 s GLY 548 N -2.54 1.98 0.19 0.52 0.00 -1.26 -4.46 107.32 101.75 3hx0 s GLY 548 Ca 0.69 -0.98 -0.31 0.00 0.00 0.00 0.00 44.72 44.11 3hx0 s GLY 548 CO 0.64 -0.91 1.57 -1.60 0.00 0.00 0.00 173.10 172.80 3hx0 s ARG 549 N -2.05 4.20 -0.38 2.90 3.52 -1.26 -4.57 118.95 121.31 3hx0 s ARG 549 Ca 0.25 2.40 -0.24 0.00 -0.13 0.00 0.00 55.73 58.01 3hx0 s ARG 549 Cb -0.12 -3.13 0.01 0.00 -1.56 0.00 0.00 34.95 30.15 3hx0 s ARG 549 CO 0.17 -0.60 0.82 0.08 -0.81 0.00 0.00 175.30 174.96 3hx0 s VAL 550 N 0.93 4.68 -0.06 7.11 1.01 -1.26 -1.16 120.40 131.65 3hx0 s VAL 550 Ca 0.69 0.89 -0.30 0.00 0.00 0.00 0.00 61.98 63.26 3hx0 s VAL 550 Cb -0.45 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.64 3hx0 s VAL 550 CO 0.34 -0.51 1.24 -0.76 0.00 0.00 0.00 175.10 175.41 3hx0 s LEU 551 N 3.24 4.27 0.18 3.92 1.43 -0.49 -4.96 118.68 126.28 3hx0 s LEU 551 Ca 0.33 1.85 -0.33 0.00 -1.03 0.00 0.00 54.13 54.95 3hx0 s LEU 551 Cb -0.13 -3.56 -0.13 0.00 0.03 0.00 0.00 46.19 42.41 3hx0 s LEU 551 CO 0.19 -0.63 1.67 -0.81 0.23 0.00 0.00 176.35 177.00 3hx0 n PRO 552 N 5.40 2.53 -3.63 1.29 -0.04 -1.26 -4.57 135.00 134.72 3hx0 n PRO 552 Ca 0.12 0.91 -0.28 0.00 -0.04 0.00 0.00 63.50 64.21 3hx0 n PRO 552 Cb 0.46 -2.73 -0.16 0.00 -0.04 0.00 0.00 33.50 31.03 3hx0 n PRO 552 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3hx0 s THR 553 N 1.15 0.24 0.01 0.52 -4.23 -1.26 -5.01 115.64 107.04 3hx0 s THR 553 Ca 0.77 -0.72 -0.25 0.00 -1.18 0.00 0.00 61.69 60.31 3hx0 s THR 553 Cb -0.57 -1.04 -0.16 0.00 1.34 0.00 0.00 72.50 72.07 3hx0 s THR 553 CO 0.35 -0.52 1.18 -0.65 -0.54 0.00 0.00 174.62 174.44 3hx0 h PRO 554 N 8.31 -0.50 -5.68 3.99 0.11 -1.95 -3.40 132.00 132.89 3hx0 h PRO 554 Ca -0.17 0.03 -0.57 0.00 0.11 0.00 0.00 66.00 65.40 3hx0 h PRO 554 Cb 1.06 0.11 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 3hx0 h PRO 554 CO 0.39 -0.19 -0.65 0.95 -0.21 0.00 0.00 178.00 178.30 3hx0 s THR 555 N -4.58 1.91 0.42 -1.15 -4.23 -1.26 -4.22 115.64 102.53 3hx0 s THR 555 Ca -0.14 -2.11 0.16 0.00 -1.18 0.00 0.00 61.69 58.41 3hx0 s THR 555 Cb 0.02 -2.69 0.36 0.00 1.34 0.00 0.00 72.50 71.53 3hx0 s THR 555 CO 0.51 -0.16 1.91 -0.33 -0.54 0.00 0.00 174.62 176.00 3hx0 h GLU 556 N 2.04 0.42 -0.85 3.99 5.08 -1.91 0.39 114.58 123.75 3hx0 h GLU 556 Ca -0.42 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 57.99 3hx0 h GLU 556 Cb 1.24 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 3hx0 h GLU 556 CO 0.72 0.28 0.52 0.87 -1.00 0.00 0.00 179.01 180.40 3hx0 h LYS 557 N 0.43 0.90 -0.96 2.33 1.57 -1.98 -1.61 116.57 117.26 3hx0 h LYS 557 Ca 0.39 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 59.14 3hx0 h LYS 557 Cb 0.89 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.95 3hx0 h LYS 557 CO -0.13 0.60 0.64 -0.44 -0.57 0.00 0.00 179.45 179.54 3hx0 h ASP 558 N 0.93 1.09 -0.64 0.86 3.32 -1.32 -0.43 116.42 120.22 3hx0 h ASP 558 Ca 0.38 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.40 3hx0 h ASP 558 Cb 0.21 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3hx0 h ASP 558 CO -0.19 0.78 0.38 0.58 -1.72 0.00 0.00 179.24 179.07 3hx0 h VAL 559 N 1.28 1.19 -0.22 -1.35 2.07 -1.23 -1.29 116.25 116.71 3hx0 h VAL 559 Ca 0.36 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 3hx0 h VAL 559 Cb -0.11 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 3hx0 h VAL 559 CO -0.09 0.20 -0.04 -0.26 0.02 0.00 0.00 177.57 177.40 3hx0 h PHE 560 N 0.87 0.46 0.16 1.57 -1.00 -1.06 -2.31 116.94 115.64 3hx0 h PHE 560 Ca 0.23 -0.09 -0.00 0.00 2.81 0.00 0.00 57.97 60.91 3hx0 h PHE 560 Cb -0.01 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.43 3hx0 h PHE 560 CO -0.02 0.64 -0.16 -0.09 -1.61 0.00 0.00 178.31 177.07 3hx0 h ARG 561 N 0.15 -0.31 0.00 1.51 2.43 -0.86 0.22 114.38 117.52 3hx0 h ARG 561 Ca 0.06 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3hx0 h ARG 561 Cb 0.48 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3hx0 h ARG 561 CO 0.02 -0.21 0.13 1.28 -1.51 0.00 0.00 179.97 179.68 3hx0 n LEU 562 N -3.29 0.35 0.03 3.80 4.77 -0.51 0.25 117.00 122.40 3hx0 n LEU 562 Ca -0.04 0.60 0.11 0.00 -0.03 0.00 0.00 56.01 56.66 3hx0 n LEU 562 Cb 0.15 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.58 3hx0 n LEU 562 CO 0.08 -0.72 -0.21 0.18 -1.33 0.00 0.00 177.39 175.39 3hx0 n LEU 563 N -1.98 0.52 -0.20 2.23 4.77 -0.59 -4.99 117.00 116.76 3hx0 n LEU 563 Ca -0.01 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3hx0 n LEU 563 Cb 0.15 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3hx0 n LEU 563 CO 0.06 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 3hx0 n GLY 564 N 1.31 0.82 3.16 -0.72 0.00 0.14 -4.95 105.19 104.95 3hx0 n GLY 564 Ca 0.00 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 3hx0 n GLY 564 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hx0 s LEU 565 N -0.40 2.34 0.03 0.99 1.02 -0.30 -5.03 118.68 117.33 3hx0 s LEU 565 Ca 0.00 -0.70 -0.30 0.00 0.02 0.00 0.00 54.13 53.15 3hx0 s LEU 565 Cb 0.00 -0.36 -0.04 0.00 0.02 0.00 0.00 46.19 45.81 3hx0 s LEU 565 CO 0.00 -0.19 0.98 -2.16 0.02 0.00 0.00 176.35 175.00 3hx0 s PRO 566 N -2.23 4.60 0.07 1.29 0.04 -1.26 -4.11 135.00 133.40 3hx0 s PRO 566 Ca 0.00 1.43 -0.37 0.00 0.04 0.00 0.00 61.00 62.11 3hx0 s PRO 566 Cb -0.07 -3.43 -0.17 0.00 0.04 0.00 0.00 34.50 30.87 3hx0 s PRO 566 CO 0.01 0.03 1.34 0.98 0.04 0.00 0.00 177.00 179.40 3hx0 n TYR 567 N 3.55 1.48 -4.04 0.56 4.19 -1.26 -4.94 117.16 116.70 3hx0 n TYR 567 Ca 0.05 0.66 -0.33 0.00 3.31 0.00 0.00 57.90 61.58 3hx0 n TYR 567 Cb 0.50 -2.32 -0.15 0.00 0.49 0.00 0.00 39.34 37.86 3hx0 n TYR 567 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 3hx0 s ARG 568 N 0.54 2.74 0.20 2.98 0.52 -1.26 -5.09 118.95 119.58 3hx0 s ARG 568 Ca 0.85 -1.02 -0.30 0.00 -0.52 0.00 0.00 55.73 54.75 3hx0 s ARG 568 Cb -0.97 -2.82 -0.16 0.00 0.52 0.00 0.00 34.95 31.51 3hx0 s ARG 568 CO 0.48 -0.37 0.75 -1.91 0.02 0.00 0.00 175.30 174.27 3hx0 n GLU 569 N 4.59 0.43 0.00 3.54 4.07 -1.26 -4.71 120.64 127.30 3hx0 n GLU 569 Ca -0.17 0.15 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 3hx0 n GLU 569 Cb 0.47 -1.34 0.00 0.00 -0.06 0.00 0.00 31.44 30.51 3hx0 n GLU 569 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 3hx0 n PRO 570 N 1.06 0.00 -0.00 5.31 -0.02 -1.26 0.60 135.00 140.69 3hx0 n PRO 570 Ca 0.16 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.67 3hx0 n PRO 570 Cb 0.25 -1.06 -0.04 0.00 -0.02 0.00 0.00 33.50 32.63 3hx0 n PRO 570 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx0 n ALA 571 N -0.43 2.36 -0.12 3.55 0.00 -1.26 -3.72 120.51 120.89 3hx0 n ALA 571 Ca 0.00 -0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.40 3hx0 n ALA 571 Cb 0.00 -0.19 0.29 0.00 0.00 0.00 0.00 19.45 19.55 3hx0 n ALA 571 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3hx0 n GLU 572 N -1.51 2.74 -3.23 0.00 0.28 0.20 -4.73 120.64 114.39 3hx0 n GLU 572 Ca -0.00 -2.37 -0.45 0.00 -0.16 0.00 0.00 57.16 54.18 3hx0 n GLU 572 Cb 0.12 -1.59 0.00 0.00 1.43 0.00 0.00 31.44 31.41 3hx0 n GLU 572 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3hx0 n ARG 573 N 1.27 3.65 0.00 3.44 1.74 -1.23 -4.55 116.66 120.98 3hx0 n ARG 573 Ca 0.22 -4.38 0.00 0.00 -0.77 0.00 0.00 57.85 52.92 3hx0 n ARG 573 Cb 0.61 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.44 3hx0 n ARG 573 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3hx0 n ASP 574 N 2.88 2.52 0.00 0.55 10.43 -1.26 -2.52 116.55 129.14 3hx0 n ASP 574 Ca 0.26 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.62 3hx0 n ASP 574 Cb 0.39 0.30 0.00 0.00 1.84 0.00 0.00 41.12 43.65 3hx0 n ASP 574 CO 0.00 0.00 0.00 0.79 -1.07 0.00 0.00 177.20 176.92