#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 2.60 -0.57 0.00 -1.32 -1.26 -4.90 115.64 110.19 3hx0 s THR 250 Ca 0.00 0.20 -0.27 0.00 -1.21 0.00 0.00 61.69 60.40 3hx0 s THR 250 Cb 0.00 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.54 3hx0 s THR 250 CO 0.00 -0.26 1.58 0.21 -2.21 0.00 0.00 174.62 173.94 3hx0 s ASN 251 N -3.03 5.84 0.00 8.08 2.47 -1.26 -4.85 114.94 122.20 3hx0 s ASN 251 Ca 0.64 0.33 0.14 0.00 0.42 0.00 0.00 52.86 54.39 3hx0 s ASN 251 Cb -0.20 -2.54 0.85 0.00 -1.45 0.00 0.00 41.25 37.91 3hx0 s ASN 251 CO 0.58 -1.93 1.27 1.41 -3.72 0.00 0.00 177.10 174.71 3hx0 n HIS 252 N 10.60 0.00 -2.24 0.43 8.25 -1.26 -2.85 115.22 128.14 3hx0 n HIS 252 Ca 0.15 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.57 3hx0 n HIS 252 Cb 0.50 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.68 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 -0.97 2.31 -0.32 0.41 3.02 -1.26 -4.38 115.26 114.06 3hx0 n ASN 253 Ca 0.11 -2.92 0.06 0.00 -0.03 0.00 0.00 54.58 51.80 3hx0 n ASN 253 Cb 0.05 -0.41 0.22 0.00 -0.61 0.00 0.00 39.78 39.02 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 1.70 0.75 -2.40 3.41 5.85 -1.95 0.16 115.31 122.84 3hx0 h LEU 254 Ca 0.00 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3hx0 h LEU 254 Cb 1.43 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 3hx0 h LEU 254 CO 0.26 0.38 -0.03 1.12 -0.34 0.00 0.00 178.44 179.83 3hx0 h HIS 255 N 0.83 0.00 0.00 1.25 2.07 -1.89 -1.24 115.15 116.17 3hx0 h HIS 255 Ca 0.46 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.91 3hx0 h HIS 255 Cb 0.51 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.48 3hx0 h HIS 255 CO -0.04 0.03 -1.00 -0.89 -3.07 0.00 0.00 177.93 172.96 3hx0 n ILE 256 N -3.49 1.48 -0.31 6.12 5.41 0.14 -4.17 119.36 124.54 3hx0 n ILE 256 Ca -0.02 0.10 0.09 0.00 1.00 0.00 0.00 62.75 63.92 3hx0 n ILE 256 Cb 0.14 -2.29 0.26 0.00 -0.71 0.00 0.00 39.64 37.03 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 -1.00 0.70 -0.66 1.39 1.35 -0.83 -0.74 112.91 113.13 3hx0 h THR 257 Ca -0.10 -0.22 0.10 0.00 -0.55 0.00 0.00 66.41 65.64 3hx0 h THR 257 Cb 0.91 -0.00 -0.08 0.00 -1.73 0.00 0.00 68.15 67.25 3hx0 h THR 257 CO -0.06 0.12 0.26 -0.33 -0.25 0.00 0.00 175.52 175.26 3hx0 h GLU 258 N 0.65 0.43 0.10 4.72 3.07 -1.43 -1.91 114.58 120.22 3hx0 h GLU 258 Ca 0.50 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.33 3hx0 h GLU 258 Cb 0.75 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 3hx0 h GLU 258 CO -0.38 0.29 -0.05 1.57 -1.40 0.00 0.00 179.01 179.04 3hx0 h LYS 259 N 0.45 -0.13 0.07 2.33 2.10 -1.31 -3.32 116.57 116.75 3hx0 h LYS 259 Ca 0.34 0.01 0.02 0.00 -2.00 0.00 0.00 60.65 59.02 3hx0 h LYS 259 Cb 0.43 0.03 -0.05 0.00 -0.90 0.00 0.00 32.23 31.74 3hx0 h LYS 259 CO -0.32 0.21 -0.39 -0.07 -2.00 0.00 0.00 179.45 176.87 3hx0 h LEU 260 N -0.48 -1.18 -1.38 7.07 3.38 -1.15 -2.54 115.31 119.03 3hx0 h LEU 260 Ca -0.01 0.14 0.47 0.00 0.09 0.00 0.00 57.88 58.56 3hx0 h LEU 260 Cb 0.40 0.45 -0.13 0.00 0.09 0.00 0.00 40.66 41.47 3hx0 h LEU 260 CO 0.02 -0.46 0.91 -0.62 0.09 0.00 0.00 178.44 178.38 3hx0 n GLU 261 N -5.45 -0.03 -0.03 1.13 1.02 -0.74 0.45 120.64 116.99 3hx0 n GLU 261 Ca -0.06 1.17 -0.09 0.00 -0.02 0.00 0.00 57.16 58.16 3hx0 n GLU 261 Cb 0.37 -2.35 -0.03 0.00 -0.02 0.00 0.00 31.44 29.40 3hx0 n GLU 261 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hx0 h VAL 262 N 0.00 0.86 -0.30 2.62 2.07 -1.57 0.23 116.25 120.16 3hx0 h VAL 262 Ca 0.84 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 68.35 3hx0 h VAL 262 Cb 2.81 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.39 3hx0 h VAL 262 CO -0.39 0.01 0.20 -0.07 0.02 0.00 0.00 177.57 177.34 3hx0 h LEU 263 N 0.04 0.35 -0.07 2.57 3.38 -0.13 0.23 115.31 121.66 3hx0 h LEU 263 Ca 0.08 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3hx0 h LEU 263 Cb 0.11 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3hx0 h LEU 263 CO -0.15 0.26 -0.19 0.00 0.09 0.00 0.00 178.44 178.45 3hx0 h ALA 264 N 1.10 -0.55 -0.35 1.53 0.00 -0.86 1.33 119.26 121.47 3hx0 h ALA 264 Ca 0.11 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.11 3hx0 h ALA 264 Cb -0.04 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3hx0 h ALA 264 CO -0.02 -0.62 0.31 0.87 0.00 0.00 0.00 179.25 179.79 3hx0 h LYS 265 N -0.18 0.00 0.31 0.00 1.57 -0.43 0.38 116.57 118.22 3hx0 h LYS 265 Ca 0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3hx0 h LYS 265 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3hx0 h LYS 265 CO -0.17 0.00 -0.15 0.00 -0.57 0.00 0.00 179.45 178.57 3hx0 h ALA 266 N 1.70 -0.41 -0.69 3.86 0.00 0.27 -2.59 119.26 121.40 3hx0 h ALA 266 Ca 0.17 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3hx0 h ALA 266 Cb 0.79 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3hx0 h ALA 266 CO -0.00 -0.42 0.40 1.88 0.00 0.00 0.00 179.25 181.11 3hx0 h TYR 267 N -1.04 0.73 0.00 0.00 0.05 0.22 -2.73 116.97 114.20 3hx0 h TYR 267 Ca -0.04 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.77 3hx0 h TYR 267 Cb 0.43 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 3hx0 h TYR 267 CO 0.03 0.36 -0.14 1.03 -1.05 0.00 0.00 178.16 178.39 3hx0 h SER 268 N 0.74 -0.43 0.00 3.88 0.87 -0.34 -1.43 113.55 116.84 3hx0 h SER 268 Ca 0.30 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 3hx0 h SER 268 Cb 0.16 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3hx0 h SER 268 CO -0.17 -0.14 0.09 1.33 -0.53 0.00 0.00 176.83 177.41 3hx0 n VAL 269 N -3.27 0.91 0.06 2.23 0.24 -0.98 -1.50 118.33 116.02 3hx0 n VAL 269 Ca -0.02 0.74 -0.01 0.00 -2.04 0.00 0.00 64.34 63.02 3hx0 n VAL 269 Cb 0.10 -1.74 -0.06 0.00 -1.47 0.00 0.00 33.84 30.67 3hx0 n VAL 269 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 3hx0 h GLN 270 N 0.00 0.00 0.00 7.34 4.20 -0.96 -3.42 115.11 122.26 3hx0 h GLN 270 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hx0 h GLN 270 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 3hx0 h GLN 270 CO 0.00 0.42 0.00 0.41 -0.67 0.00 0.00 178.83 178.99 3hx0 n GLY 271 N 1.36 1.40 3.41 3.46 0.00 -0.56 -4.97 105.19 109.29 3hx0 n GLY 271 Ca -0.06 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 3.19 -0.22 1.61 -0.08 -1.12 -4.73 116.55 115.21 3hx0 n ASP 272 Ca 0.00 -2.73 -0.06 0.00 -1.51 0.00 0.00 54.79 50.50 3hx0 n ASP 272 Cb 0.00 -1.57 0.04 0.00 2.34 0.00 0.00 41.12 41.94 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 8.79 0.80 0.00 -0.67 5.09 -1.82 -2.53 116.57 126.23 3hx0 h LYS 273 Ca 0.32 -0.05 -0.12 0.00 0.09 0.00 0.00 60.65 60.89 3hx0 h LYS 273 Cb 0.84 -0.18 -0.02 0.00 0.10 0.00 0.00 32.23 32.97 3hx0 h LYS 273 CO 1.48 0.53 -0.58 -1.49 -2.09 0.00 0.00 179.45 177.31 3hx0 h TRP 274 N 0.83 0.00 -0.28 0.07 -0.00 -1.98 -1.23 115.95 113.35 3hx0 h TRP 274 Ca 0.23 0.00 -0.18 0.00 -0.00 0.00 0.00 58.89 58.94 3hx0 h TRP 274 Cb -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.08 3hx0 h TRP 274 CO -0.03 0.58 -0.54 -0.09 -0.00 0.00 0.00 178.44 178.35 3hx0 h ARG 275 N 0.00 0.86 -0.59 0.49 2.43 -1.92 -0.87 114.38 114.78 3hx0 h ARG 275 Ca -0.01 -0.55 -0.06 0.00 -0.81 0.00 0.00 59.98 58.56 3hx0 h ARG 275 Cb 1.20 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 3hx0 h ARG 275 CO 0.07 1.18 0.14 0.00 -1.51 0.00 0.00 179.97 179.86 3hx0 h ALA 276 N 0.67 0.78 -0.46 2.80 0.00 -1.39 -1.62 119.26 120.04 3hx0 h ALA 276 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hx0 h ALA 276 Cb 1.15 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3hx0 h ALA 276 CO 0.12 0.49 0.30 0.00 0.00 0.00 0.00 179.25 180.16 3hx0 h ALA 277 N 1.03 1.67 0.79 0.00 0.00 -1.04 0.83 119.26 122.55 3hx0 h ALA 277 Ca 0.19 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3hx0 h ALA 277 Cb 0.35 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hx0 h ALA 277 CO 0.00 0.31 -0.38 0.78 0.00 0.00 0.00 179.25 179.96 3hx0 h GLY 278 N 0.62 -1.11 0.11 0.00 0.00 -0.22 -1.29 103.07 101.18 3hx0 h GLY 278 Ca 0.17 0.41 0.09 0.00 0.00 0.00 0.00 47.33 48.00 3hx0 h GLY 278 CO -0.04 -0.41 -0.09 -0.97 0.00 0.00 0.00 176.54 175.04 3hx0 h TYR 279 N -1.15 -0.19 -0.53 5.60 -1.99 -1.10 -1.33 116.97 116.27 3hx0 h TYR 279 Ca -0.11 0.04 0.08 0.00 2.00 0.00 0.00 58.73 60.74 3hx0 h TYR 279 Cb 0.82 0.16 -0.10 0.00 2.00 0.00 0.00 36.73 39.60 3hx0 h TYR 279 CO 0.03 -0.18 -0.42 0.00 -0.00 0.00 0.00 178.16 177.59 3hx0 h ALA 280 N 1.45 -0.32 -0.97 3.88 0.00 -0.75 1.07 119.26 123.61 3hx0 h ALA 280 Ca 0.22 0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.33 3hx0 h ALA 280 Cb 0.34 0.91 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 3hx0 h ALA 280 CO -0.45 -0.82 0.62 1.57 0.00 0.00 0.00 179.25 180.17 3hx0 h LYS 281 N -0.25 0.99 0.19 0.00 2.10 -0.35 -1.09 116.57 118.15 3hx0 h LYS 281 Ca 0.17 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.75 3hx0 h LYS 281 Cb 0.57 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 3hx0 h LYS 281 CO -0.65 0.65 -0.09 0.00 -2.00 0.00 0.00 179.45 177.36 3hx0 h ALA 282 N 1.52 -0.25 -0.68 0.07 0.00 0.64 -0.73 119.26 119.83 3hx0 h ALA 282 Ca 0.45 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.36 3hx0 h ALA 282 Cb 0.37 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3hx0 h ALA 282 CO -0.21 -0.46 0.48 0.82 0.00 0.00 0.00 179.25 179.88 3hx0 h ILE 283 N -0.62 0.69 0.17 0.00 2.04 0.14 0.22 117.51 120.15 3hx0 h ILE 283 Ca -0.03 -0.03 -0.29 0.00 1.00 0.00 0.00 64.86 65.51 3hx0 h ILE 283 Cb 0.45 0.60 0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3hx0 h ILE 283 CO 0.04 0.02 -1.24 0.78 0.00 0.00 0.00 178.15 177.75 3hx0 h ASN 284 N 0.08 0.79 -0.58 1.72 4.21 -1.07 -2.80 115.58 117.94 3hx0 h ASN 284 Ca 0.33 -0.88 -0.02 0.00 1.21 0.00 0.00 56.30 56.94 3hx0 h ASN 284 Cb 1.18 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 38.09 3hx0 h ASN 284 CO -0.03 1.60 0.30 0.00 -1.29 0.00 0.00 177.43 178.02 3hx0 h ALA 285 N 0.20 1.40 0.40 -0.83 0.00 0.64 -2.28 119.26 118.78 3hx0 h ALA 285 Ca -0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3hx0 h ALA 285 Cb 1.95 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3hx0 h ALA 285 CO 0.24 0.48 -0.19 -0.07 0.00 0.00 0.00 179.25 179.71 3hx0 h LEU 286 N 0.85 -0.45 -0.47 0.00 3.38 -0.71 -2.97 115.31 114.92 3hx0 h LEU 286 Ca 0.21 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.20 3hx0 h LEU 286 Cb 0.07 0.12 -0.10 0.00 0.09 0.00 0.00 40.66 40.84 3hx0 h LEU 286 CO -0.03 -0.19 -0.26 0.11 0.09 0.00 0.00 178.44 178.15 3hx0 h LYS 287 N -0.71 -0.15 0.00 1.13 1.57 -1.21 0.61 116.57 117.82 3hx0 h LYS 287 Ca -0.05 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3hx0 h LYS 287 Cb 0.50 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3hx0 h LYS 287 CO 0.09 -0.10 0.00 -1.13 -0.57 0.00 0.00 179.45 177.74 3hx0 n SER 288 N -5.41 0.00 -4.75 0.86 3.41 -0.88 -4.50 113.62 102.34 3hx0 n SER 288 Ca 0.03 0.06 -0.37 0.00 -0.26 0.00 0.00 58.87 58.34 3hx0 n SER 288 Cb 0.33 -0.23 0.04 0.00 -0.26 0.00 0.00 64.21 64.08 3hx0 n SER 288 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3hx0 s PHE 289 N -2.47 2.37 -2.01 7.33 5.99 0.20 -4.90 117.98 124.49 3hx0 s PHE 289 Ca 0.10 1.48 0.10 0.00 0.00 0.00 0.00 56.93 58.61 3hx0 s PHE 289 Cb 0.07 -3.58 0.58 0.00 0.00 0.00 0.00 43.02 40.08 3hx0 s PHE 289 CO 0.14 -2.42 1.38 -2.39 -0.00 0.00 0.00 175.22 171.93 3hx0 n HIS 290 N -1.37 0.03 -3.77 10.12 1.44 -1.26 -4.80 115.22 115.61 3hx0 n HIS 290 Ca 0.12 -0.02 -0.01 0.00 -2.01 0.00 0.00 57.72 55.81 3hx0 n HIS 290 Cb 0.48 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.59 3hx0 n HIS 290 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3hx0 s LYS 291 N -1.97 0.87 0.05 -1.40 3.01 -1.26 -5.11 119.74 113.94 3hx0 s LYS 291 Ca 0.16 -0.51 -0.26 0.00 -1.01 0.00 0.00 55.97 54.35 3hx0 s LYS 291 Cb 0.08 0.28 -0.05 0.00 -1.01 0.00 0.00 37.83 37.12 3hx0 s LYS 291 CO 0.12 -0.40 0.79 -1.25 0.51 0.00 0.00 175.35 175.12 3hx0 s PRO 292 N -2.60 4.52 0.26 -1.68 0.04 -1.26 -4.83 135.00 129.44 3hx0 s PRO 292 Ca 0.17 1.12 -0.31 0.00 0.04 0.00 0.00 61.00 62.02 3hx0 s PRO 292 Cb 0.01 -3.37 -0.11 0.00 0.04 0.00 0.00 34.50 31.06 3hx0 s PRO 292 CO 0.01 0.26 1.61 0.54 0.04 0.00 0.00 177.00 179.46 3hx0 s VAL 293 N -0.00 2.15 -0.11 -0.36 0.11 -1.26 -4.93 120.40 116.00 3hx0 s VAL 293 Ca 0.40 0.12 -0.06 0.00 -2.93 0.00 0.00 61.98 59.51 3hx0 s VAL 293 Cb -0.21 -3.08 -0.05 0.00 -1.53 0.00 0.00 36.38 31.52 3hx0 s VAL 293 CO 0.24 0.02 -0.15 0.35 -3.33 0.00 0.00 175.10 172.22 3hx0 n THR 294 N 2.76 0.71 -4.24 5.04 -2.24 -1.26 -5.06 114.28 109.98 3hx0 n THR 294 Ca 0.10 -0.13 -0.24 0.00 -2.27 0.00 0.00 64.05 61.52 3hx0 n THR 294 Cb 0.37 -1.68 -0.08 0.00 -2.10 0.00 0.00 70.33 66.85 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 -6.06 4.41 0.06 3.42 1.04 -1.26 -5.03 113.70 110.29 3hx0 s SER 295 Ca -0.16 -0.87 -0.31 0.00 0.48 0.00 0.00 55.95 55.09 3hx0 s SER 295 Cb 0.06 -0.64 -0.18 0.00 0.10 0.00 0.00 66.02 65.35 3hx0 s SER 295 CO 0.21 -0.23 1.58 0.22 0.98 0.00 0.00 173.24 176.00 3hx0 h TYR 296 N 1.72 -0.74 -0.63 5.02 3.20 -1.98 -2.32 116.97 121.24 3hx0 h TYR 296 Ca -0.43 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 61.55 3hx0 h TYR 296 Cb 1.25 0.24 -0.11 0.00 1.54 0.00 0.00 36.73 39.65 3hx0 h TYR 296 CO 0.67 -0.44 -0.05 0.37 -1.64 0.00 0.00 178.16 177.07 3hx0 h GLN 297 N -0.84 0.07 -0.86 1.82 4.15 -1.96 0.43 115.11 117.92 3hx0 h GLN 297 Ca -0.08 -0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.40 3hx0 h GLN 297 Cb 0.62 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.23 3hx0 h GLN 297 CO 0.13 0.05 0.52 1.49 -1.93 0.00 0.00 178.83 179.09 3hx0 h GLU 298 N 0.07 0.91 -0.18 1.69 4.81 -1.94 0.02 114.58 119.96 3hx0 h GLU 298 Ca 0.32 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.55 3hx0 h GLU 298 Cb 0.53 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3hx0 h GLU 298 CO -0.58 0.60 0.15 0.00 -0.73 0.00 0.00 179.01 178.45 3hx0 h ALA 299 N 1.42 1.96 0.00 2.92 0.00 -0.35 0.83 119.26 126.05 3hx0 h ALA 299 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3hx0 h ALA 299 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hx0 h ALA 299 CO -0.19 -0.24 -0.05 0.00 0.00 0.00 0.00 179.25 178.77 3hx0 n SER 301 N -1.92 0.57 -4.55 0.00 3.41 0.28 -4.70 113.62 106.72 3hx0 n SER 301 Ca 0.06 0.40 -0.42 0.00 -0.26 0.00 0.00 58.87 58.65 3hx0 n SER 301 Cb 0.39 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 63.83 3hx0 n SER 301 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hx0 s ILE 302 N -3.08 4.81 0.17 -1.33 1.09 -1.19 -5.02 121.20 116.65 3hx0 s ILE 302 Ca 0.11 0.39 -0.33 0.00 -1.10 0.00 0.00 60.65 59.71 3hx0 s ILE 302 Cb 0.15 -4.18 -0.14 0.00 -1.06 0.00 0.00 42.46 37.23 3hx0 s ILE 302 CO 0.61 -0.51 1.59 -0.81 -0.10 0.00 0.00 174.94 175.73 3hx0 n PRO 303 N 6.27 2.24 0.00 2.79 -0.04 -1.26 -1.96 135.00 143.04 3hx0 n PRO 303 Ca -0.00 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 3hx0 n PRO 303 Cb 0.48 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 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 3.40 0.73 3.13 0.55 0.00 -1.26 -4.88 105.19 106.86 3hx0 n GLY 304 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 1.67 0.40 -0.61 1.01 -0.83 -4.27 121.20 116.57 3hx0 s ILE 305 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.88 3hx0 s ILE 305 Cb 0.00 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 3hx0 s ILE 305 CO 0.00 0.47 0.06 0.61 0.00 0.00 0.00 174.94 176.08 3hx0 n GLY 306 N 3.72 3.51 0.34 6.18 0.00 -1.26 -4.71 105.19 112.96 3hx0 n GLY 306 Ca -0.20 -2.23 0.19 0.00 0.00 0.00 0.00 46.02 43.78 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 0.00 -0.02 1.61 1.57 -1.97 0.36 116.57 118.12 3hx0 h LYS 307 Ca -0.32 -0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.30 3hx0 h LYS 307 Cb 1.08 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 3hx0 h LYS 307 CO 0.52 0.00 -0.70 0.00 -0.57 0.00 0.00 179.45 178.70 3hx0 h ARG 308 N 0.00 0.12 0.24 3.15 3.08 -1.99 -1.40 114.38 117.58 3hx0 h ARG 308 Ca 0.67 -0.10 -0.32 0.00 0.07 0.00 0.00 59.98 60.30 3hx0 h ARG 308 Cb 1.51 0.02 0.03 0.00 0.08 0.00 0.00 29.97 31.62 3hx0 h ARG 308 CO -0.89 0.77 -1.44 1.98 -1.07 0.00 0.00 179.97 179.32 3hx0 h MET 309 N 0.08 0.50 -0.66 0.04 4.05 -1.16 -3.23 114.93 114.56 3hx0 h MET 309 Ca -0.01 -0.86 -0.03 0.00 -0.28 0.00 0.00 59.70 58.51 3hx0 h MET 309 Cb 1.24 0.32 -0.03 0.00 -0.80 0.00 0.00 31.60 32.33 3hx0 h MET 309 CO 0.10 1.41 0.28 0.00 0.23 0.00 0.00 176.91 178.93 3hx0 h ALA 310 N 0.14 0.85 -0.67 0.39 0.00 -0.45 -2.03 119.26 117.48 3hx0 h ALA 310 Ca -0.26 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.54 3hx0 h ALA 310 Cb 2.11 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.60 3hx0 h ALA 310 CO 0.25 0.46 0.44 1.05 0.00 0.00 0.00 179.25 181.45 3hx0 h GLU 311 N 0.92 0.72 0.00 0.00 4.11 -1.34 -0.43 114.58 118.56 3hx0 h GLU 311 Ca 0.22 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.61 3hx0 h GLU 311 Cb 0.18 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3hx0 h GLU 311 CO -0.02 0.48 -0.05 0.87 0.07 0.00 0.00 179.01 180.36 3hx0 h LYS 312 N 0.74 0.00 0.03 1.06 1.57 -1.47 -2.95 116.57 115.55 3hx0 h LYS 312 Ca 0.28 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.80 3hx0 h LYS 312 Cb 0.17 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.50 3hx0 h LYS 312 CO -0.08 0.00 -1.07 0.82 -0.57 0.00 0.00 179.45 178.55 3hx0 h ILE 313 N 0.00 1.32 -0.09 1.86 2.04 -0.39 -3.21 117.51 119.04 3hx0 h ILE 313 Ca 0.00 -2.38 -0.20 0.00 1.00 0.00 0.00 64.86 63.28 3hx0 h ILE 313 Cb 0.89 2.48 -0.00 0.00 -0.74 0.00 0.00 36.82 39.45 3hx0 h ILE 313 CO 0.00 0.73 -0.77 0.40 0.00 0.00 0.00 178.15 178.51 3hx0 h ILE 314 N 0.31 1.35 -0.04 -0.67 1.08 -1.44 -0.88 117.51 117.23 3hx0 h ILE 314 Ca -0.13 -2.13 0.01 0.00 -0.39 0.00 0.00 64.86 62.22 3hx0 h ILE 314 Cb 1.72 2.11 -0.00 0.00 -3.07 0.00 0.00 36.82 37.58 3hx0 h ILE 314 CO 0.20 0.65 0.06 -0.08 -0.69 0.00 0.00 178.15 178.29 3hx0 h GLU 315 N 0.34 0.00 0.07 2.37 4.81 -1.58 0.25 114.58 120.83 3hx0 h GLU 315 Ca -0.04 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.87 3hx0 h GLU 315 Cb 1.36 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 3hx0 h GLU 315 CO 0.14 0.00 -1.75 -0.89 -0.73 0.00 0.00 179.01 175.78 3hx0 n ILE 316 N -3.61 1.67 -0.24 2.32 5.41 -1.07 -2.78 119.36 121.06 3hx0 n ILE 316 Ca -0.02 -0.39 -0.02 0.00 1.00 0.00 0.00 62.75 63.32 3hx0 n ILE 316 Cb 0.14 -1.85 0.18 0.00 -0.71 0.00 0.00 39.64 37.40 3hx0 n ILE 316 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3hx0 h LEU 317 N -0.40 0.93 0.00 1.39 3.38 -0.39 -0.44 115.31 119.78 3hx0 h LEU 317 Ca -0.41 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3hx0 h LEU 317 Cb 1.73 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.24 3hx0 h LEU 317 CO -0.06 0.75 0.00 -0.62 0.09 0.00 0.00 178.44 178.61 3hx0 n GLU 318 N -4.36 0.00 0.00 1.13 1.02 0.79 -4.39 120.64 114.84 3hx0 n GLU 318 Ca 0.08 0.02 0.02 0.00 -0.02 0.00 0.00 57.16 57.26 3hx0 n GLU 318 Cb 0.10 -0.32 0.14 0.00 -0.02 0.00 0.00 31.44 31.34 3hx0 n GLU 318 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3hx0 n SER 319 N -1.01 0.00 -4.09 1.62 7.64 -1.12 -4.80 113.62 111.86 3hx0 n SER 319 Ca 0.00 -0.30 -0.34 0.00 1.01 0.00 0.00 58.87 59.24 3hx0 n SER 319 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 3hx0 n SER 319 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hx0 n GLY 320 N -0.46 -0.44 0.00 0.23 0.00 -0.18 -4.84 105.19 99.51 3hx0 n GLY 320 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3hx0 n GLY 320 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3hx0 n HIS 321 N -4.02 -0.60 -2.72 1.61 -0.00 -1.12 -4.97 115.22 103.40 3hx0 n HIS 321 Ca 0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.75 3hx0 n HIS 321 Cb 0.48 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.50 3hx0 n HIS 321 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 3hx0 n LEU 322 N 0.00 -2.54 -0.48 0.27 7.94 -1.26 -2.77 117.00 118.17 3hx0 n LEU 322 Ca 0.00 -2.34 0.38 0.00 -1.11 0.00 0.00 56.01 52.94 3hx0 n LEU 322 Cb 0.00 0.69 0.62 0.00 0.53 0.00 0.00 43.42 45.26 3hx0 n LEU 322 CO 0.00 1.71 1.11 -2.11 -1.11 0.00 0.00 177.39 176.99 3hx0 n ARG 323 N 2.38 -0.02 -0.13 1.96 1.85 -1.26 0.43 116.66 121.87 3hx0 n ARG 323 Ca 0.12 1.00 0.17 0.00 -1.00 0.00 0.00 57.85 58.14 3hx0 n ARG 323 Cb 0.62 -2.09 0.55 0.00 -1.05 0.00 0.00 32.46 30.49 3hx0 n ARG 323 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 3hx0 h LYS 324 N 0.00 0.30 0.00 2.89 1.63 -1.98 0.29 116.57 119.70 3hx0 h LYS 324 Ca 0.76 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.54 3hx0 h LYS 324 Cb 2.70 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 34.26 3hx0 h LYS 324 CO -0.25 0.20 0.00 -0.07 -3.45 0.00 0.00 179.45 175.89 3hx0 h LEU 325 N 0.31 0.00 -0.24 5.20 3.38 -0.45 -2.32 115.31 121.19 3hx0 h LEU 325 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3hx0 h LEU 325 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3hx0 h LEU 325 CO -0.09 0.00 -0.55 0.47 0.09 0.00 0.00 178.44 178.36 3hx0 n ASP 326 N -2.75 0.92 -0.76 -0.43 8.00 0.10 -3.91 116.55 117.72 3hx0 n ASP 326 Ca 0.01 -0.73 0.07 0.00 0.71 0.00 0.00 54.79 54.85 3hx0 n ASP 326 Cb 0.25 0.42 0.20 0.00 -0.02 0.00 0.00 41.12 41.97 3hx0 n ASP 326 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3hx0 n HIS 327 N -1.12 0.67 -2.32 1.24 8.25 -0.88 -5.01 115.22 116.06 3hx0 n HIS 327 Ca 0.07 -0.65 -0.39 0.00 -0.26 0.00 0.00 57.72 56.50 3hx0 n HIS 327 Cb 0.35 -0.15 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 3hx0 n HIS 327 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hx0 s ILE 328 N -1.73 3.19 0.92 1.59 1.01 -1.18 -4.98 121.20 120.01 3hx0 s ILE 328 Ca 0.31 1.04 -0.13 0.00 0.00 0.00 0.00 60.65 61.88 3hx0 s ILE 328 Cb 0.21 -3.60 0.05 0.00 0.01 0.00 0.00 42.46 39.13 3hx0 s ILE 328 CO 0.13 0.13 0.60 -0.24 0.00 0.00 0.00 174.94 175.56 3hx0 n SER 329 N 0.30 -1.39 0.00 3.58 2.88 -1.26 -4.89 113.62 112.85 3hx0 n SER 329 Ca 0.03 0.38 0.13 0.00 -1.33 0.00 0.00 58.87 58.08 3hx0 n SER 329 Cb 0.46 -1.27 0.41 0.00 -0.75 0.00 0.00 64.21 63.05 3hx0 n SER 329 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3hx0 n GLU 330 N -2.18 0.01 0.08 -1.46 0.28 -1.26 -3.87 120.64 112.24 3hx0 n GLU 330 Ca 0.08 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 57.02 3hx0 n GLU 330 Cb 0.53 -1.50 0.06 0.00 1.43 0.00 0.00 31.44 31.96 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 0.00 0.27 -0.67 -1.84 0.02 -2.02 -3.36 113.55 105.95 3hx0 h SER 331 Ca 0.00 -0.18 0.08 0.00 -0.84 0.00 0.00 61.79 60.85 3hx0 h SER 331 Cb 0.50 -0.08 -0.10 0.00 0.14 0.00 0.00 62.40 62.87 3hx0 h SER 331 CO 0.00 0.90 -0.32 0.52 -1.14 0.00 0.00 176.83 176.79 3hx0 n VAL 332 N -3.78 -0.40 0.04 2.27 0.31 -1.25 -0.44 118.33 115.08 3hx0 n VAL 332 Ca -0.03 1.60 -0.11 0.00 -0.01 0.00 0.00 64.34 65.79 3hx0 n VAL 332 Cb 0.70 -2.05 -0.04 0.00 -0.91 0.00 0.00 33.84 31.53 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 -0.37 -0.28 5.55 0.11 -1.88 0.48 132.00 135.61 3hx0 h PRO 333 Ca 0.18 0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.33 3hx0 h PRO 333 Cb 0.35 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 3hx0 h PRO 333 CO -0.65 -0.25 0.15 0.28 -0.21 0.00 0.00 178.00 177.32 3hx0 h VAL 334 N -0.38 1.01 -0.53 3.15 2.07 -1.07 0.16 116.25 120.65 3hx0 h VAL 334 Ca 0.07 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3hx0 h VAL 334 Cb 0.49 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3hx0 h VAL 334 CO -0.26 0.06 0.30 -0.07 0.02 0.00 0.00 177.57 177.61 3hx0 h LEU 335 N 0.32 0.65 -0.51 2.57 3.38 -0.35 -1.54 115.31 119.83 3hx0 h LEU 335 Ca 0.11 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3hx0 h LEU 335 Cb 0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3hx0 h LEU 335 CO -0.06 0.54 -0.06 -0.08 0.09 0.00 0.00 178.44 178.87 3hx0 h GLU 336 N 0.70 0.94 -0.68 1.13 4.81 0.20 0.22 114.58 121.91 3hx0 h GLU 336 Ca 0.19 -0.33 0.08 0.00 -0.13 0.00 0.00 59.36 59.16 3hx0 h GLU 336 Cb 0.03 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.28 3hx0 h GLU 336 CO -0.03 0.99 0.35 1.25 -0.73 0.00 0.00 179.01 180.84 3hx0 h LEU 337 N 0.81 0.48 -0.21 1.64 5.85 -0.39 -0.53 115.31 122.95 3hx0 h LEU 337 Ca 0.14 0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.75 3hx0 h LEU 337 Cb 0.61 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3hx0 h LEU 337 CO 0.04 0.29 -0.49 -0.26 -0.34 0.00 0.00 178.44 177.68 3hx0 h PHE 338 N 0.62 0.90 -0.08 1.25 0.05 -1.01 -3.13 116.94 115.53 3hx0 h PHE 338 Ca 0.32 -0.34 0.01 0.00 3.82 0.00 0.00 57.97 61.79 3hx0 h PHE 338 Cb 0.28 -0.16 -0.00 0.00 2.00 0.00 0.00 35.95 38.07 3hx0 h PHE 338 CO -0.10 1.13 0.05 0.66 -0.18 0.00 0.00 178.31 179.87 3hx0 h SER 339 N 0.41 0.03 0.11 2.17 4.64 0.07 -0.95 113.55 120.03 3hx0 h SER 339 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hx0 h SER 339 Cb 1.10 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3hx0 h SER 339 CO 0.11 0.02 0.00 0.59 -0.87 0.00 0.00 176.83 176.68 3hx0 n ASN 340 N -4.52 0.00 -4.71 4.97 3.02 -0.27 -4.62 115.26 109.13 3hx0 n ASN 340 Ca -0.01 -0.07 -0.41 0.00 -0.03 0.00 0.00 54.58 54.06 3hx0 n ASN 340 Cb 0.14 -0.16 -0.04 0.00 -0.61 0.00 0.00 39.78 39.11 3hx0 n ASN 340 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hx0 s ILE 341 N -2.32 4.95 -0.13 2.41 1.01 -0.36 -4.96 121.20 121.79 3hx0 s ILE 341 Ca 0.12 1.78 -0.29 0.00 0.00 0.00 0.00 60.65 62.26 3hx0 s ILE 341 Cb 0.07 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 3hx0 s ILE 341 CO 0.14 0.19 1.70 0.86 0.00 0.00 0.00 174.94 177.83 3hx0 s TRP 342 N 0.97 1.93 0.00 3.97 -0.00 -1.26 -1.36 118.94 123.19 3hx0 s TRP 342 Ca 0.45 0.33 0.00 0.00 -0.00 0.00 0.00 56.10 56.88 3hx0 s TRP 342 Cb -0.19 -3.96 0.00 0.00 -0.00 0.00 0.00 33.47 29.31 3hx0 s TRP 342 CO 0.23 -3.59 0.00 0.41 -0.00 0.00 0.00 176.95 174.00 3hx0 n GLY 343 N 4.50 0.75 3.16 5.86 0.00 -1.26 -3.30 105.19 114.91 3hx0 n GLY 343 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 2.20 0.00 4.61 0.00 -0.46 -4.61 121.76 121.51 3hx0 s ALA 344 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3hx0 s ALA 344 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.15 3hx0 s ALA 344 CO 0.00 -0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.15 3hx0 n GLY 345 N 4.06 4.23 0.35 0.00 0.00 -1.26 -4.53 105.19 108.03 3hx0 n GLY 345 Ca -0.20 -2.18 -0.03 0.00 0.00 0.00 0.00 46.02 43.61 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 0.99 0.12 0.58 2.61 2.02 -1.90 0.35 112.91 117.68 3hx0 h THR 346 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3hx0 h THR 346 Cb 0.00 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.52 3hx0 h THR 346 CO 0.00 0.00 -0.37 0.11 0.37 0.00 0.00 175.52 175.63 3hx0 h LYS 347 N -0.09 -0.87 -0.79 6.66 1.79 -1.93 -0.97 116.57 120.37 3hx0 h LYS 347 Ca 0.29 0.06 0.22 0.00 -2.18 0.00 0.00 60.65 59.03 3hx0 h LYS 347 Cb 0.57 0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 31.38 3hx0 h LYS 347 CO -0.80 -0.58 0.56 1.15 -1.08 0.00 0.00 179.45 178.70 3hx0 h THR 348 N -0.90 0.63 0.11 -0.16 2.02 -1.87 -0.16 112.91 112.59 3hx0 h THR 348 Ca -0.08 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 3hx0 h THR 348 Cb 0.73 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3hx0 h THR 348 CO 0.07 0.02 -0.05 0.00 0.37 0.00 0.00 175.52 175.92 3hx0 h ALA 349 N 1.62 -0.15 -0.79 6.16 0.00 -0.58 -2.94 119.26 122.58 3hx0 h ALA 349 Ca 0.38 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3hx0 h ALA 349 Cb 1.39 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 3hx0 h ALA 349 CO -0.04 -0.36 0.52 1.96 0.00 0.00 0.00 179.25 181.33 3hx0 h GLN 350 N -0.61 0.96 -0.27 0.00 4.20 0.21 -1.96 115.11 117.64 3hx0 h GLN 350 Ca -0.02 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.67 3hx0 h GLN 350 Cb 0.48 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 3hx0 h GLN 350 CO 0.03 0.64 0.09 1.98 -0.67 0.00 0.00 178.83 180.89 3hx0 h MET 351 N 0.99 0.20 -0.26 1.46 4.05 -1.07 -0.42 114.93 119.88 3hx0 h MET 351 Ca 0.31 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.67 3hx0 h MET 351 Cb -0.00 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 3hx0 h MET 351 CO -0.08 0.14 0.00 -1.49 0.23 0.00 0.00 176.91 175.71 3hx0 h TRP 352 N 0.21 0.50 -0.38 1.39 6.55 -1.28 -3.12 115.95 119.83 3hx0 h TRP 352 Ca 0.12 -0.09 0.06 0.00 0.95 0.00 0.00 58.89 59.93 3hx0 h TRP 352 Cb 0.09 -0.13 -0.05 0.00 -0.86 0.00 0.00 29.16 28.21 3hx0 h TRP 352 CO -0.13 0.62 0.07 -0.92 -1.05 0.00 0.00 178.44 177.03 3hx0 h TYR 353 N 0.25 0.12 0.00 0.49 5.03 -1.12 0.28 116.97 122.01 3hx0 h TYR 353 Ca 0.07 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.41 3hx0 h TYR 353 Cb 0.41 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.70 3hx0 h TYR 353 CO 0.03 0.01 0.00 0.94 -1.32 0.00 0.00 178.16 177.83 3hx0 n GLN 354 N -5.10 0.23 -0.12 1.82 7.27 -0.19 -0.78 117.38 120.52 3hx0 n GLN 354 Ca 0.02 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.13 3hx0 n GLN 354 Cb 0.17 -1.43 0.10 0.00 2.41 0.00 0.00 30.24 31.50 3hx0 n GLN 354 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 3hx0 n GLN 355 N -0.93 2.85 0.00 3.69 6.02 0.98 -4.99 117.38 125.00 3hx0 n GLN 355 Ca 0.05 -1.93 0.00 0.00 -0.01 0.00 0.00 57.00 55.11 3hx0 n GLN 355 Cb 0.02 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.06 3hx0 n GLN 355 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hx0 n GLY 356 N -0.03 2.51 3.71 1.08 0.00 0.04 -5.00 105.19 107.50 3hx0 n GLY 356 Ca 0.08 -0.42 -0.62 0.00 0.00 0.00 0.00 46.02 45.07 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 1.85 -0.03 1.61 3.72 -1.18 -4.83 117.46 118.59 3hx0 n PHE 357 Ca 0.00 0.81 0.00 0.00 -0.05 0.00 0.00 57.45 58.21 3hx0 n PHE 357 Cb 0.00 -2.34 0.00 0.00 -0.94 0.00 0.00 39.48 36.20 3hx0 n PHE 357 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3hx0 n ARG 358 N 4.51 4.54 -4.19 -1.08 5.12 -1.26 -4.16 116.66 120.14 3hx0 n ARG 358 Ca 0.28 -0.06 -0.16 0.00 -1.93 0.00 0.00 57.85 55.98 3hx0 n ARG 358 Cb 0.05 -0.47 -0.11 0.00 -1.16 0.00 0.00 32.46 30.77 3hx0 n ARG 358 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3hx0 s SER 359 N -0.67 1.61 0.39 0.55 0.15 -1.26 -4.88 113.70 109.60 3hx0 s SER 359 Ca 0.00 -0.80 0.27 0.00 0.70 0.00 0.00 55.95 56.11 3hx0 s SER 359 Cb 0.00 -0.02 1.41 0.00 -1.71 0.00 0.00 66.02 65.70 3hx0 s SER 359 CO 0.00 -0.22 1.81 -0.07 1.20 0.00 0.00 173.24 175.96 3hx0 h LEU 360 N 3.58 0.00 0.12 3.45 3.38 -1.97 -0.68 115.31 123.19 3hx0 h LEU 360 Ca -0.38 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.32 3hx0 h LEU 360 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3hx0 h LEU 360 CO 0.52 0.00 -1.23 -0.08 0.09 0.00 0.00 178.44 177.74 3hx0 h GLU 361 N 0.00 0.25 -0.42 1.13 4.57 -1.99 -2.47 114.58 115.66 3hx0 h GLU 361 Ca 0.00 -0.43 -0.05 0.00 -1.18 0.00 0.00 59.36 57.69 3hx0 h GLU 361 Cb 0.04 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 3hx0 h GLU 361 CO 0.00 1.21 0.04 -0.44 -1.18 0.00 0.00 179.01 178.64 3hx0 h ASP 362 N 0.07 0.61 0.05 1.04 5.19 -1.53 -2.06 116.42 119.78 3hx0 h ASP 362 Ca -0.13 -0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.17 3hx0 h ASP 362 Cb 1.96 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 41.31 3hx0 h ASP 362 CO 0.20 0.65 -0.02 0.40 -3.12 0.00 0.00 179.24 177.35 3hx0 h ILE 363 N 0.62 1.19 -0.41 0.35 1.08 -1.52 -2.18 117.51 116.65 3hx0 h ILE 363 Ca 0.13 -0.80 0.12 0.00 -0.39 0.00 0.00 64.86 63.92 3hx0 h ILE 363 Cb 0.33 1.72 -0.02 0.00 -3.07 0.00 0.00 36.82 35.78 3hx0 h ILE 363 CO 0.01 0.20 0.36 -0.09 -0.69 0.00 0.00 178.15 177.94 3hx0 h ARG 364 N -0.43 0.00 0.00 2.37 2.43 -1.14 -3.07 114.38 114.54 3hx0 h ARG 364 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3hx0 h ARG 364 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3hx0 h ARG 364 CO 0.01 0.00 0.00 0.43 -1.51 0.00 0.00 179.97 178.90 3hx0 n SER 365 N -3.99 0.00 -0.74 -3.80 7.64 -0.80 -4.81 113.62 107.12 3hx0 n SER 365 Ca 0.07 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.95 3hx0 n SER 365 Cb 0.55 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.76 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 1.16 -4.35 1.43 10.64 -0.84 -4.87 117.38 120.55 3hx0 n GLN 366 Ca 0.00 -0.16 -0.32 0.00 -1.83 0.00 0.00 57.00 54.69 3hx0 n GLN 366 Cb 0.00 -1.38 -0.09 0.00 -0.86 0.00 0.00 30.24 27.91 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 -0.78 3.15 -0.18 2.61 0.00 -1.16 -4.98 121.76 120.42 3hx0 s ALA 367 Ca 0.03 -1.01 -0.19 0.00 0.00 0.00 0.00 51.96 50.79 3hx0 s ALA 367 Cb 0.02 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 3hx0 s ALA 367 CO 0.01 0.64 0.52 0.45 0.00 0.00 0.00 175.76 177.38 3hx0 s SER 368 N -1.59 6.61 0.23 0.00 0.15 -1.26 -4.87 113.70 112.97 3hx0 s SER 368 Ca 0.19 0.74 0.10 0.00 0.70 0.00 0.00 55.95 57.67 3hx0 s SER 368 Cb -0.11 -2.30 -0.05 0.00 -1.71 0.00 0.00 66.02 61.85 3hx0 s SER 368 CO 0.10 -0.14 -0.18 -0.76 1.20 0.00 0.00 173.24 173.46 3hx0 s LEU 369 N 1.39 2.54 0.02 3.45 1.43 -1.26 -5.10 118.68 121.15 3hx0 s LEU 369 Ca 0.25 -0.99 -0.04 0.00 -1.03 0.00 0.00 54.13 52.32 3hx0 s LEU 369 Cb -0.15 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.14 3hx0 s LEU 369 CO 0.10 -0.05 0.24 0.42 0.23 0.00 0.00 176.35 177.28 3hx0 s THR 370 N -2.58 5.35 0.21 5.49 -4.23 -1.26 -4.85 115.64 113.77 3hx0 s THR 370 Ca 0.24 -0.02 0.07 0.00 -1.18 0.00 0.00 61.69 60.80 3hx0 s THR 370 Cb -0.03 -3.57 0.24 0.00 1.34 0.00 0.00 72.50 70.48 3hx0 s THR 370 CO 0.10 0.30 0.99 0.41 -0.54 0.00 0.00 174.62 175.88 3hx0 n THR 371 N 0.89 -0.26 0.24 3.99 -1.04 -1.26 0.16 114.28 117.00 3hx0 n THR 371 Ca -0.10 1.33 -0.12 0.00 -2.04 0.00 0.00 64.05 63.11 3hx0 n THR 371 Cb 0.52 -2.04 -0.07 0.00 -1.82 0.00 0.00 70.33 66.93 3hx0 n THR 371 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 3hx0 h GLN 372 N 0.00 -0.63 -0.93 -2.82 4.20 -1.89 -2.98 115.11 110.05 3hx0 h GLN 372 Ca 0.46 0.04 0.16 0.00 0.06 0.00 0.00 58.65 59.37 3hx0 h GLN 372 Cb 1.09 0.14 -0.08 0.00 0.30 0.00 0.00 27.48 28.94 3hx0 h GLN 372 CO -0.54 -0.34 0.60 1.96 -0.67 0.00 0.00 178.83 179.83 3hx0 h GLN 373 N -1.07 0.67 -0.63 1.46 4.20 -0.27 0.17 115.11 119.64 3hx0 h GLN 373 Ca -0.07 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.67 3hx0 h GLN 373 Cb 0.58 -0.15 -0.06 0.00 0.30 0.00 0.00 27.48 28.15 3hx0 h GLN 373 CO 0.11 0.45 0.31 0.00 -0.67 0.00 0.00 178.83 179.03 3hx0 h ALA 374 N 1.60 0.84 -0.10 3.87 0.00 -0.80 0.27 119.26 124.95 3hx0 h ALA 374 Ca 0.49 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.39 3hx0 h ALA 374 Cb 0.81 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3hx0 h ALA 374 CO -0.24 -0.06 -0.12 0.82 0.00 0.00 0.00 179.25 179.65 3hx0 h ILE 375 N 0.57 1.37 -0.55 0.00 2.04 -0.62 -1.71 117.51 118.61 3hx0 h ILE 375 Ca 0.30 -1.30 0.16 0.00 1.00 0.00 0.00 64.86 65.01 3hx0 h ILE 375 Cb 0.26 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 3hx0 h ILE 375 CO -0.23 0.37 0.39 1.23 0.00 0.00 0.00 178.15 179.92 3hx0 h GLY 376 N -0.15 0.00 0.97 5.37 0.00 -0.30 -1.10 103.07 107.85 3hx0 h GLY 376 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.02 3hx0 h GLY 376 CO 0.03 0.00 -1.55 -2.00 0.00 0.00 0.00 176.54 173.02 3hx0 h LEU 377 N 0.00 0.66 -2.13 3.11 5.85 -0.88 -2.78 115.31 119.14 3hx0 h LEU 377 Ca 0.26 -0.93 0.08 0.00 0.84 0.00 0.00 57.88 58.13 3hx0 h LEU 377 Cb 1.04 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3hx0 h LEU 377 CO -0.00 1.72 0.26 0.50 -0.34 0.00 0.00 178.44 180.57 3hx0 h LYS 378 N 0.03 0.00 0.00 1.25 3.64 -0.25 -1.54 116.57 119.70 3hx0 h LYS 378 Ca -0.30 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.07 3hx0 h LYS 378 Cb 2.05 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.83 3hx0 h LYS 378 CO 0.20 0.00 -0.42 0.72 -2.27 0.00 0.00 179.45 177.67 3hx0 n HIS 379 N -3.91 0.00 -0.37 1.91 8.25 -0.89 -4.88 115.22 115.32 3hx0 n HIS 379 Ca 0.04 -1.21 -0.07 0.00 -0.26 0.00 0.00 57.72 56.21 3hx0 n HIS 379 Cb 0.41 -0.21 -0.04 0.00 1.12 0.00 0.00 29.99 31.27 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 0.70 -1.52 -0.28 4.41 3.20 -0.98 -0.02 116.97 122.48 3hx0 h TYR 380 Ca -0.02 0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3hx0 h TYR 380 Cb 1.10 0.79 -0.01 0.00 1.54 0.00 0.00 36.73 40.15 3hx0 h TYR 380 CO 0.48 -0.39 0.18 0.77 -1.64 0.00 0.00 178.16 177.56 3hx0 h SER 381 N -0.04 0.33 0.15 -2.11 0.02 -1.89 -2.58 113.55 107.42 3hx0 h SER 381 Ca 0.23 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 3hx0 h SER 381 Cb 0.50 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.96 3hx0 h SER 381 CO -0.91 0.26 -0.07 0.44 -1.14 0.00 0.00 176.83 175.41 3hx0 h ASP 382 N 0.37 -0.17 0.13 3.07 3.32 -1.58 -2.88 116.42 118.69 3hx0 h ASP 382 Ca 0.10 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3hx0 h ASP 382 Cb -0.02 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3hx0 h ASP 382 CO -0.02 -0.10 -0.09 -0.26 -1.72 0.00 0.00 179.24 177.05 3hx0 h PHE 383 N -0.22 0.00 0.00 4.55 0.04 -1.04 -2.15 116.94 118.12 3hx0 h PHE 383 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 3hx0 h PHE 383 Cb 0.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.32 3hx0 h PHE 383 CO -0.06 0.09 0.00 1.28 -0.60 0.00 0.00 178.31 179.02 3hx0 n LEU 384 N -4.15 0.44 -4.58 1.54 4.77 -0.98 -4.70 117.00 109.34 3hx0 n LEU 384 Ca -0.03 0.55 -0.39 0.00 -0.03 0.00 0.00 56.01 56.11 3hx0 n LEU 384 Cb 0.17 -0.41 -0.11 0.00 -2.33 0.00 0.00 43.42 40.75 3hx0 n LEU 384 CO 0.33 -0.12 -0.12 -1.61 -1.33 0.00 0.00 177.39 174.54 3hx0 s GLU 385 N -3.06 3.89 0.32 3.23 0.41 -0.81 -5.07 118.70 117.62 3hx0 s GLU 385 Ca 0.12 -0.30 -0.28 0.00 -0.41 0.00 0.00 54.97 54.10 3hx0 s GLU 385 Cb 0.15 -3.68 -0.09 0.00 -1.78 0.00 0.00 34.13 28.72 3hx0 s GLU 385 CO 0.55 -0.24 1.08 1.03 -0.49 0.00 0.00 175.26 177.19 3hx0 s ARG 386 N 1.82 4.47 0.40 1.61 0.52 -1.26 -4.97 118.95 121.54 3hx0 s ARG 386 Ca 0.08 1.71 -0.00 0.00 -0.52 0.00 0.00 55.73 57.00 3hx0 s ARG 386 Cb -0.16 -2.96 -0.02 0.00 0.52 0.00 0.00 34.95 32.32 3hx0 s ARG 386 CO 0.11 0.09 0.62 0.00 0.02 0.00 0.00 175.30 176.14 3hx0 s MET 387 N -1.81 3.33 0.39 3.54 0.23 -0.26 -4.82 119.30 119.91 3hx0 s MET 387 Ca 0.49 -0.33 -0.16 0.00 -1.03 0.00 0.00 55.69 54.66 3hx0 s MET 387 Cb -0.29 -2.59 -0.09 0.00 -1.53 0.00 0.00 34.83 30.34 3hx0 s MET 387 CO 0.36 -0.05 0.83 -2.14 -2.03 0.00 0.00 175.02 172.00 3hx0 s PRO 388 N -4.46 4.02 0.21 3.16 0.02 -1.26 0.08 135.00 136.77 3hx0 s PRO 388 Ca 0.44 0.80 -0.19 0.00 0.02 0.00 0.00 61.00 62.07 3hx0 s PRO 388 Cb -0.10 -2.32 0.19 0.00 0.02 0.00 0.00 34.50 32.29 3hx0 s PRO 388 CO 0.38 0.02 1.57 0.00 -0.33 0.00 0.00 177.00 178.64 3hx0 h ARG 389 N 1.83 -0.08 -0.95 5.54 3.08 -1.40 -0.20 114.38 122.20 3hx0 h ARG 389 Ca -0.48 0.01 0.11 0.00 0.07 0.00 0.00 59.98 59.69 3hx0 h ARG 389 Cb 1.18 0.02 -0.13 0.00 0.08 0.00 0.00 29.97 31.11 3hx0 h ARG 389 CO 0.63 -0.05 -0.50 0.93 -1.07 0.00 0.00 179.97 179.92 3hx0 h GLU 390 N -0.08 -0.03 -0.81 0.04 3.07 -1.93 0.21 114.58 115.04 3hx0 h GLU 390 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 3hx0 h GLU 390 Cb 0.58 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.45 3hx0 h GLU 390 CO -0.84 -0.02 0.51 1.49 -1.40 0.00 0.00 179.01 178.76 3hx0 h GLU 391 N -0.03 1.09 -0.63 2.33 4.81 -1.46 -2.28 114.58 118.40 3hx0 h GLU 391 Ca 0.23 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.43 3hx0 h GLU 391 Cb 0.50 -0.24 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 3hx0 h GLU 391 CO -0.93 0.75 0.35 0.00 -0.73 0.00 0.00 179.01 178.45 3hx0 h ALA 392 N 1.28 0.84 -0.71 2.92 0.00 0.33 -1.77 119.26 122.15 3hx0 h ALA 392 Ca 0.30 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.31 3hx0 h ALA 392 Cb -0.08 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.52 3hx0 h ALA 392 CO -0.06 0.03 0.37 1.15 0.00 0.00 0.00 179.25 180.74 3hx0 h THR 393 N 0.66 0.88 0.73 0.00 2.02 -0.30 -0.43 112.91 116.46 3hx0 h THR 393 Ca 0.28 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 3hx0 h THR 393 Cb 0.16 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3hx0 h THR 393 CO -0.17 0.12 -0.49 -0.33 0.37 0.00 0.00 175.52 175.01 3hx0 h GLU 394 N 0.64 -1.11 -1.02 6.66 5.08 -1.05 0.36 114.58 124.14 3hx0 h GLU 394 Ca 0.34 0.08 0.25 0.00 -1.00 0.00 0.00 59.36 59.03 3hx0 h GLU 394 Cb 0.32 0.25 -0.11 0.00 0.50 0.00 0.00 28.75 29.71 3hx0 h GLU 394 CO -0.25 -0.74 0.62 0.82 -1.00 0.00 0.00 179.01 178.46 3hx0 h ILE 395 N -1.16 0.54 -0.33 3.13 2.04 -1.06 0.57 117.51 121.24 3hx0 h ILE 395 Ca -0.10 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 3hx0 h ILE 395 Cb 0.94 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3hx0 h ILE 395 CO 0.07 0.10 -0.13 -0.08 0.00 0.00 0.00 178.15 178.11 3hx0 h GLU 396 N 0.54 0.68 -0.14 2.37 4.22 -0.47 -2.35 114.58 119.43 3hx0 h GLU 396 Ca 0.63 -0.28 -0.03 0.00 0.08 0.00 0.00 59.36 59.75 3hx0 h GLU 396 Cb 1.29 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3hx0 h GLU 396 CO -0.42 0.87 -0.05 1.96 -2.18 0.00 0.00 179.01 179.20 3hx0 h GLN 397 N 0.45 0.20 0.44 1.92 1.08 0.41 -1.26 115.11 118.35 3hx0 h GLN 397 Ca 0.08 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 3hx0 h GLN 397 Cb 0.65 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 3hx0 h GLN 397 CO 0.04 0.27 -0.21 1.15 -0.95 0.00 0.00 178.83 179.13 3hx0 h THR 398 N 0.19 0.46 -0.51 -0.54 2.02 -0.06 -2.43 112.91 112.05 3hx0 h THR 398 Ca 0.04 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 66.79 3hx0 h THR 398 Cb 0.22 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 3hx0 h THR 398 CO 0.01 0.07 0.28 0.58 0.37 0.00 0.00 175.52 176.83 3hx0 h VAL 399 N -0.91 1.00 -0.07 3.16 2.07 -1.28 -2.28 116.25 117.95 3hx0 h VAL 399 Ca -0.06 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.30 3hx0 h VAL 399 Cb 0.57 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3hx0 h VAL 399 CO 0.10 0.10 -0.09 -0.61 0.02 0.00 0.00 177.57 177.09 3hx0 h GLN 400 N 0.55 -0.12 0.37 1.57 4.15 -1.27 -0.13 115.11 120.24 3hx0 h GLN 400 Ca 0.21 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 3hx0 h GLN 400 Cb 0.08 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 3hx0 h GLN 400 CO -0.12 -0.08 -0.36 0.87 -1.93 0.00 0.00 178.83 177.21 3hx0 h LYS 401 N -0.12 -0.73 -0.97 1.69 1.57 -1.26 0.34 116.57 117.09 3hx0 h LYS 401 Ca 0.06 0.05 0.21 0.00 -1.87 0.00 0.00 60.65 59.10 3hx0 h LYS 401 Cb 0.21 0.17 -0.08 0.00 0.08 0.00 0.00 32.23 32.60 3hx0 h LYS 401 CO -0.15 -0.49 0.62 0.00 -0.57 0.00 0.00 179.45 178.87 3hx0 h ALA 402 N -0.31 2.04 -0.02 3.86 0.00 -1.24 -0.87 119.26 122.71 3hx0 h ALA 402 Ca -0.03 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3hx0 h ALA 402 Cb 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3hx0 h ALA 402 CO -0.06 -0.38 -0.25 0.00 0.00 0.00 0.00 179.25 178.56 3hx0 h ALA 403 N 1.62 0.06 0.00 0.00 0.00 -0.27 -3.20 119.26 117.47 3hx0 h ALA 403 Ca 0.53 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hx0 h ALA 403 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3hx0 h ALA 403 CO -0.27 0.09 0.00 1.04 0.00 0.00 0.00 179.25 180.12 3hx0 n GLN 404 N -4.51 0.10 0.03 0.00 6.02 0.11 -1.40 117.38 117.74 3hx0 n GLN 404 Ca -0.09 0.22 0.14 0.00 -0.01 0.00 0.00 57.00 57.26 3hx0 n GLN 404 Cb 0.48 -1.50 0.54 0.00 1.02 0.00 0.00 30.24 30.79 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 -1.37 2.38 0.29 -1.58 0.00 -0.43 -2.45 120.51 117.35 3hx0 n ALA 405 Ca 0.05 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.46 3hx0 n ALA 405 Cb 0.11 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.01 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 -1.70 0.00 -3.15 0.00 3.72 -0.49 -4.93 117.46 110.91 3hx0 n PHE 406 Ca 0.07 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.52 3hx0 n PHE 406 Cb 0.36 -0.19 -0.01 0.00 -0.94 0.00 0.00 39.48 38.71 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 -3.09 -0.06 0.00 4.37 3.84 -1.13 -5.02 114.94 113.84 3hx0 s ASN 407 Ca -0.01 0.02 0.08 0.00 0.21 0.00 0.00 52.86 53.16 3hx0 s ASN 407 Cb 0.10 1.05 0.33 0.00 -0.55 0.00 0.00 41.25 42.18 3hx0 s ASN 407 CO 0.59 -0.01 1.23 -1.54 -2.79 0.00 0.00 177.10 174.58 3hx0 n SER 408 N 5.25 0.00 -0.19 -4.21 3.41 -1.03 -1.93 113.62 114.92 3hx0 n SER 408 Ca 0.01 0.47 0.14 0.00 -0.26 0.00 0.00 58.87 59.23 3hx0 n SER 408 Cb 0.57 -0.48 0.65 0.00 -0.26 0.00 0.00 64.21 64.69 3hx0 n SER 408 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hx0 n GLY 409 N -0.71 -0.69 3.77 5.00 0.00 -1.26 -4.89 105.19 106.41 3hx0 n GLY 409 Ca 0.02 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.24 4.37 -0.17 0.99 1.43 -0.81 -4.47 118.68 117.77 3hx0 s LEU 410 Ca 0.35 2.36 -0.06 0.00 -1.03 0.00 0.00 54.13 55.76 3hx0 s LEU 410 Cb 0.21 -3.82 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 3hx0 s LEU 410 CO 0.42 -0.44 0.02 -0.22 0.23 0.00 0.00 176.35 176.36 3hx0 s LEU 411 N -1.98 3.60 -0.15 1.79 2.96 0.25 -4.94 118.68 120.20 3hx0 s LEU 411 Ca 0.51 0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 54.41 3hx0 s LEU 411 Cb -0.32 -1.89 0.04 0.00 0.50 0.00 0.00 46.19 44.52 3hx0 s LEU 411 CO 0.41 0.19 -0.01 0.00 -1.32 0.00 0.00 176.35 175.63 3hx0 s VAL 413 N 1.80 1.63 -0.11 0.00 1.01 -0.74 -4.97 120.40 119.02 3hx0 s VAL 413 Ca 0.01 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 3hx0 s VAL 413 Cb -0.15 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 3hx0 s VAL 413 CO -0.07 0.47 1.03 0.00 0.00 0.00 0.00 175.10 176.52 3hx0 s ALA 414 N 0.67 3.44 0.00 5.51 0.00 -1.26 -1.73 121.76 128.39 3hx0 s ALA 414 Ca -0.13 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.20 3hx0 s ALA 414 Cb -0.16 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3hx0 s ALA 414 CO 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 175.76 175.13 3hx0 n GLY 416 N 5.00 0.51 0.51 0.00 0.00 0.11 -3.04 105.19 108.29 3hx0 n GLY 416 Ca 0.00 -0.90 0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 0.98 0.20 0.11 1.61 4.64 -1.87 -1.53 113.55 117.68 3hx0 h SER 417 Ca 0.00 0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3hx0 h SER 417 Cb 0.00 0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3hx0 h SER 417 CO 0.00 -0.09 -0.07 0.22 -0.87 0.00 0.00 176.83 176.02 3hx0 h TYR 418 N 0.10 -0.18 -0.07 4.77 3.20 -1.84 -2.36 116.97 120.59 3hx0 h TYR 418 Ca 0.77 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.66 3hx0 h TYR 418 Cb 2.58 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 40.92 3hx0 h TYR 418 CO -0.00 -0.10 0.35 -0.09 -1.64 0.00 0.00 178.16 176.67 3hx0 h ARG 419 N -0.17 0.00 0.00 1.82 2.43 -1.27 0.69 114.38 117.88 3hx0 h ARG 419 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3hx0 h ARG 419 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3hx0 h ARG 419 CO 0.01 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 179.01 3hx0 n ARG 420 N -3.03 0.94 0.00 0.20 1.74 -0.88 -4.43 116.66 111.20 3hx0 n ARG 420 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3hx0 n ARG 420 Cb 0.42 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 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 0.93 2.41 3.31 -0.13 0.00 0.24 -3.78 105.19 108.17 3hx0 n GLY 421 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 3hx0 n GLY 421 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hx0 n LYS 422 N -2.00 0.10 0.05 1.61 4.76 -0.98 -4.88 118.16 116.81 3hx0 n LYS 422 Ca 0.00 0.04 -0.09 0.00 -2.87 0.00 0.00 58.31 55.39 3hx0 n LYS 422 Cb 0.00 -1.12 0.04 0.00 -1.84 0.00 0.00 35.03 32.11 3hx0 n LYS 422 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hx0 h ALA 423 N 0.20 0.63 -2.12 7.82 0.00 -1.95 -3.44 119.26 120.40 3hx0 h ALA 423 Ca -0.40 -0.59 -0.56 0.00 0.00 0.00 0.00 54.91 53.37 3hx0 h ALA 423 Cb 1.44 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 19.02 3hx0 h ALA 423 CO 0.45 0.75 -0.72 0.95 0.00 0.00 0.00 179.25 180.68 3hx0 s THR 424 N -3.69 2.11 -0.02 0.00 -4.23 -1.26 -1.10 115.64 107.45 3hx0 s THR 424 Ca -0.06 -2.27 0.01 0.00 -1.18 0.00 0.00 61.69 58.19 3hx0 s THR 424 Cb 0.11 -2.36 0.02 0.00 1.34 0.00 0.00 72.50 71.61 3hx0 s THR 424 CO 0.84 -0.38 -0.01 0.00 -0.54 0.00 0.00 174.62 174.53 3hx0 h GLY 426 N 6.86 0.00 -1.12 0.00 0.00 -1.93 -0.67 103.07 106.21 3hx0 h GLY 426 Ca -0.38 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 3hx0 h GLY 426 CO 0.49 0.00 0.30 0.51 0.00 0.00 0.00 176.54 177.83 3hx0 s ASP 427 N -6.84 0.01 -0.17 0.19 3.84 -1.26 -4.49 116.67 107.95 3hx0 s ASP 427 Ca -0.01 -1.13 -0.00 0.00 -0.00 0.00 0.00 52.55 51.40 3hx0 s ASP 427 Cb 0.13 0.83 0.00 0.00 -1.38 0.00 0.00 42.92 42.50 3hx0 s ASP 427 CO 0.76 -1.66 -0.15 -0.69 -0.00 0.00 0.00 175.17 173.43 3hx0 s VAL 428 N -2.24 2.62 -0.60 2.11 1.01 -0.75 -4.87 120.40 117.67 3hx0 s VAL 428 Ca 0.16 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 3hx0 s VAL 428 Cb -0.05 -2.12 0.15 0.00 0.00 0.00 0.00 36.38 34.36 3hx0 s VAL 428 CO 0.11 0.51 0.50 -1.81 0.00 0.00 0.00 175.10 174.40 3hx0 s ASP 429 N 1.07 5.98 -0.32 3.32 1.01 -1.26 -0.10 116.67 126.36 3hx0 s ASP 429 Ca -0.01 -2.25 -0.18 0.00 0.71 0.00 0.00 52.55 50.82 3hx0 s ASP 429 Cb -0.14 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.70 3hx0 s ASP 429 CO -0.04 -0.64 0.52 -0.69 0.21 0.00 0.00 175.17 174.53 3hx0 s VAL 430 N 0.86 5.02 -0.15 -1.27 1.01 0.15 -0.05 120.40 125.98 3hx0 s VAL 430 Ca 0.10 0.51 -0.08 0.00 0.00 0.00 0.00 61.98 62.52 3hx0 s VAL 430 Cb -0.22 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 3hx0 s VAL 430 CO -0.03 -0.14 0.12 -0.22 0.00 0.00 0.00 175.10 174.84 3hx0 s LEU 431 N 2.40 4.25 0.04 3.92 2.96 -0.70 -1.04 118.68 130.50 3hx0 s LEU 431 Ca 0.20 0.35 0.04 0.00 -0.22 0.00 0.00 54.13 54.50 3hx0 s LEU 431 Cb -0.15 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 3hx0 s LEU 431 CO 0.12 0.32 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.73 3hx0 s ILE 432 N -0.52 0.95 0.12 6.68 1.01 0.14 -1.80 121.20 127.79 3hx0 s ILE 432 Ca 0.12 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 3hx0 s ILE 432 Cb -0.12 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.50 3hx0 s ILE 432 CO 0.02 -0.07 0.44 1.07 0.00 0.00 0.00 174.94 176.40 3hx0 n THR 433 N 1.87 0.00 -3.68 2.92 5.66 -0.79 -1.28 114.28 118.97 3hx0 n THR 433 Ca -0.19 -0.32 -0.13 0.00 -3.05 0.00 0.00 64.05 60.36 3hx0 n THR 433 Cb 0.55 0.39 -0.13 0.00 -1.55 0.00 0.00 70.33 69.58 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 -4.75 -0.40 0.59 1.09 2.46 -1.26 -0.58 115.29 112.43 3hx0 s HIS 434 Ca 0.09 0.93 0.30 0.00 0.47 0.00 0.00 55.06 56.86 3hx0 s HIS 434 Cb -0.02 -0.01 1.39 0.00 -0.13 0.00 0.00 32.58 33.82 3hx0 s HIS 434 CO 0.03 -0.32 1.77 -1.35 -2.47 0.00 0.00 174.74 172.41 3hx0 h PRO 435 N 7.98 0.00 0.00 2.88 0.11 -1.98 0.66 132.00 141.65 3hx0 h PRO 435 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3hx0 h PRO 435 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hx0 h PRO 435 CO 0.20 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.59 3hx0 n ASP 436 N -3.69 0.00 -2.54 -2.05 3.85 -1.26 -4.89 116.55 105.97 3hx0 n ASP 436 Ca 0.14 0.26 -0.19 0.00 -0.71 0.00 0.00 54.79 54.29 3hx0 n ASP 436 Cb 0.91 -0.41 -0.00 0.00 -1.35 0.00 0.00 41.12 40.27 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 0.78 -0.50 0.00 6.12 0.00 0.23 -4.69 105.19 107.13 3hx0 n GLY 437 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.13 0.00 0.00 1.61 -4.01 -1.26 -4.76 116.66 105.11 3hx0 n ARG 438 Ca -0.19 0.00 0.06 0.00 -1.04 0.00 0.00 57.85 56.68 3hx0 n ARG 438 Cb 0.65 -0.23 0.34 0.00 -3.04 0.00 0.00 32.46 30.19 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 -1.05 0.00 0.06 2.89 2.88 -1.26 -2.86 113.62 114.28 3hx0 n SER 439 Ca 0.00 -0.92 -0.05 0.00 -1.33 0.00 0.00 58.87 56.57 3hx0 n SER 439 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 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 0.00 -3.53 0.66 2.07 -1.90 -3.46 115.15 108.99 3hx0 h HIS 440 Ca 0.00 0.00 -0.54 0.00 -2.85 0.00 0.00 60.37 56.98 3hx0 h HIS 440 Cb 0.00 0.00 0.09 0.00 2.57 0.00 0.00 27.41 30.07 3hx0 h HIS 440 CO 0.00 0.85 0.85 0.54 -3.07 0.00 0.00 177.93 177.10 3hx0 n ARG 441 N -3.21 2.71 -1.02 5.12 1.74 -1.13 -2.60 116.66 118.27 3hx0 n ARG 441 Ca -0.04 0.96 -0.01 0.00 -0.77 0.00 0.00 57.85 57.99 3hx0 n ARG 441 Cb 0.91 -2.73 -0.00 0.00 -1.02 0.00 0.00 32.46 29.62 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 1.52 0.47 0.13 -0.13 0.00 -1.26 -4.93 105.19 100.99 3hx0 n GLY 442 Ca 0.06 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 3hx0 n GLY 442 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hx0 n ILE 443 N -2.95 1.56 -0.29 -0.61 2.08 -1.07 -4.42 119.36 113.66 3hx0 n ILE 443 Ca -0.01 -0.39 -0.08 0.00 0.56 0.00 0.00 62.75 62.84 3hx0 n ILE 443 Cb 0.04 -1.79 -0.07 0.00 -0.75 0.00 0.00 39.64 37.07 3hx0 n ILE 443 CO 0.00 0.00 0.00 0.33 0.56 0.00 0.00 176.55 177.44 3hx0 n PHE 444 N -3.95 -0.30 0.17 1.39 7.35 -1.26 -0.70 117.46 120.15 3hx0 n PHE 444 Ca -0.45 0.86 -0.09 0.00 -0.76 0.00 0.00 57.45 57.02 3hx0 n PHE 444 Cb 0.89 -0.54 -0.05 0.00 0.35 0.00 0.00 39.48 40.13 3hx0 n PHE 444 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 3hx0 h SER 445 N 0.00 -0.61 -0.80 -2.13 0.02 -1.98 -2.08 113.55 105.96 3hx0 h SER 445 Ca 0.11 0.04 0.23 0.00 -0.84 0.00 0.00 61.79 61.33 3hx0 h SER 445 Cb 0.28 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 3hx0 h SER 445 CO -0.65 -0.33 0.58 0.03 -1.14 0.00 0.00 176.83 175.32 3hx0 h ARG 446 N -0.52 0.00 -0.09 3.45 3.08 -1.67 -0.45 114.38 118.18 3hx0 h ARG 446 Ca -0.04 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3hx0 h ARG 446 Cb 0.43 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3hx0 h ARG 446 CO 0.01 0.00 -0.19 1.25 -1.07 0.00 0.00 179.97 179.97 3hx0 h LEU 447 N 0.00 0.32 -0.25 3.04 5.85 -0.71 -1.92 115.31 121.65 3hx0 h LEU 447 Ca 0.38 -0.57 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 3hx0 h LEU 447 Cb 1.53 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 3hx0 h LEU 447 CO -0.00 0.83 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.84 3hx0 h LEU 448 N -0.18 0.44 -0.63 2.25 3.38 -0.53 -1.05 115.31 118.98 3hx0 h LEU 448 Ca 0.00 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 57.73 3hx0 h LEU 448 Cb 0.78 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 3hx0 h LEU 448 CO 0.04 0.66 0.30 -0.78 0.09 0.00 0.00 178.44 178.75 3hx0 h ASP 449 N 0.21 0.39 0.67 -0.43 3.58 -1.20 0.70 116.42 120.34 3hx0 h ASP 449 Ca 0.07 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 3hx0 h ASP 449 Cb 0.44 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 3hx0 h ASP 449 CO 0.02 0.24 -0.41 -1.28 -2.88 0.00 0.00 179.24 174.93 3hx0 h SER 450 N 0.54 -1.02 -0.63 2.28 0.87 -1.10 -0.54 113.55 113.95 3hx0 h SER 450 Ca 0.30 0.05 0.15 0.00 -1.23 0.00 0.00 61.79 61.07 3hx0 h SER 450 Cb 0.29 0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 3hx0 h SER 450 CO -0.24 -0.63 0.43 -0.07 -0.53 0.00 0.00 176.83 175.79 3hx0 h LEU 451 N -1.01 0.16 -0.07 2.23 3.38 -0.91 -1.71 115.31 117.38 3hx0 h LEU 451 Ca -0.09 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.67 3hx0 h LEU 451 Cb 0.80 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.54 3hx0 h LEU 451 CO 0.10 0.08 -0.79 -0.09 0.09 0.00 0.00 178.44 177.83 3hx0 h ARG 452 N 0.17 0.66 -0.59 1.13 2.43 -0.60 -1.22 114.38 116.36 3hx0 h ARG 452 Ca 0.30 -0.62 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 3hx0 h ARG 452 Cb 0.95 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 3hx0 h ARG 452 CO -0.05 1.22 0.35 1.96 -1.51 0.00 0.00 179.97 181.94 3hx0 h GLN 453 N 0.33 0.81 0.00 0.20 1.08 -0.18 -1.60 115.11 115.75 3hx0 h GLN 453 Ca -0.08 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 3hx0 h GLN 453 Cb 1.44 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 3hx0 h GLN 453 CO 0.16 0.60 0.00 -0.85 -0.95 0.00 0.00 178.83 177.79 3hx0 n GLU 454 N -4.61 0.82 -1.11 1.46 0.28 -1.00 -4.85 120.64 111.63 3hx0 n GLU 454 Ca 0.04 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.00 3hx0 n GLU 454 Cb 0.07 -1.03 -0.02 0.00 1.43 0.00 0.00 31.44 31.89 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 0.34 0.61 0.21 -1.84 0.00 -0.60 -4.90 105.19 99.01 3hx0 n GLY 455 Ca 0.01 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 0.82 -3.48 1.61 3.57 -1.42 -3.42 116.94 114.62 3hx0 h PHE 456 Ca -0.08 -0.33 -0.60 0.00 3.53 0.00 0.00 57.97 60.49 3hx0 h PHE 456 Cb 0.55 -0.14 -0.11 0.00 2.79 0.00 0.00 35.95 39.04 3hx0 h PHE 456 CO 0.30 1.11 -0.05 -0.51 -2.23 0.00 0.00 178.31 176.93 3hx0 s LEU 457 N -8.29 4.14 -0.21 0.59 1.43 -1.08 -1.86 118.68 113.39 3hx0 s LEU 457 Ca -0.08 0.65 -0.07 0.00 -1.03 0.00 0.00 54.13 53.60 3hx0 s LEU 457 Cb 0.10 -2.69 -0.20 0.00 0.03 0.00 0.00 46.19 43.44 3hx0 s LEU 457 CO 0.87 -0.18 0.02 0.35 0.23 0.00 0.00 176.35 177.63 3hx0 n THR 458 N 4.58 1.60 -4.12 5.49 -2.24 0.91 -4.81 114.28 115.69 3hx0 n THR 458 Ca -0.05 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.14 3hx0 n THR 458 Cb 0.50 -1.68 -0.10 0.00 -2.10 0.00 0.00 70.33 66.95 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 -6.90 0.52 -0.26 3.42 1.11 -1.10 -4.97 116.67 108.49 3hx0 s ASP 459 Ca -0.30 -1.08 0.02 0.00 0.18 0.00 0.00 52.55 51.36 3hx0 s ASP 459 Cb 0.09 0.22 0.07 0.00 1.07 0.00 0.00 42.92 44.36 3hx0 s ASP 459 CO 0.64 -0.63 -0.05 -1.81 1.18 0.00 0.00 175.17 174.50 3hx0 s ASP 460 N -2.99 4.10 0.08 0.27 1.11 -1.26 -0.28 116.67 117.71 3hx0 s ASP 460 Ca 0.14 -1.36 -0.11 0.00 0.18 0.00 0.00 52.55 51.41 3hx0 s ASP 460 Cb 0.07 -1.30 -0.22 0.00 1.07 0.00 0.00 42.92 42.55 3hx0 s ASP 460 CO -0.05 -0.25 1.19 -0.07 1.18 0.00 0.00 175.17 177.17 3hx0 h LEU 461 N 7.88 0.75 -5.95 1.23 3.38 -0.99 -3.41 115.31 118.20 3hx0 h LEU 461 Ca -0.16 -0.65 -0.35 0.00 0.09 0.00 0.00 57.88 56.80 3hx0 h LEU 461 Cb 1.06 -0.23 -0.28 0.00 0.09 0.00 0.00 40.66 41.29 3hx0 h LEU 461 CO 0.44 1.46 -0.70 -0.69 0.09 0.00 0.00 178.44 179.03 3hx0 s VAL 462 N -3.13 -0.36 0.38 1.22 1.01 0.62 -4.84 120.40 115.31 3hx0 s VAL 462 Ca -0.08 -1.43 0.22 0.00 0.00 0.00 0.00 61.98 60.69 3hx0 s VAL 462 Cb 0.07 -0.61 0.38 0.00 0.00 0.00 0.00 36.38 36.22 3hx0 s VAL 462 CO 0.91 -0.58 1.60 -1.28 0.00 0.00 0.00 175.10 175.75 3hx0 h SER 463 N 6.03 0.33 -4.65 3.32 0.87 -1.80 -2.83 113.55 114.84 3hx0 h SER 463 Ca 0.12 0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.86 3hx0 h SER 463 Cb 1.03 0.21 -0.20 0.00 -0.44 0.00 0.00 62.40 63.00 3hx0 h SER 463 CO 0.19 -0.32 0.24 -1.58 -0.53 0.00 0.00 176.83 174.83 3hx0 s GLN 464 N -5.48 0.94 -0.07 2.24 0.74 -1.26 -4.78 119.66 111.98 3hx0 s GLN 464 Ca -0.09 0.37 -0.03 0.00 0.05 0.00 0.00 55.36 55.66 3hx0 s GLN 464 Cb 0.32 0.44 0.04 0.00 1.10 0.00 0.00 33.01 34.92 3hx0 s GLN 464 CO 0.79 -0.26 0.16 -2.00 -0.55 0.00 0.00 175.29 173.43 3hx0 s GLU 465 N -0.88 0.10 -0.34 1.67 2.12 -0.82 -5.00 118.70 115.56 3hx0 s GLU 465 Ca -0.07 0.39 -0.14 0.00 0.36 0.00 0.00 54.97 55.51 3hx0 s GLU 465 Cb -0.01 -0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.19 3hx0 s GLU 465 CO 0.07 -0.17 0.29 -1.21 -0.54 0.00 0.00 175.26 173.70 3hx0 s GLU 466 N 1.21 3.55 -0.45 4.30 0.41 -1.26 -2.42 118.70 124.03 3hx0 s GLU 466 Ca -0.09 -0.52 0.03 0.00 -0.41 0.00 0.00 54.97 53.97 3hx0 s GLU 466 Cb -0.11 -3.80 0.15 0.00 -1.78 0.00 0.00 34.13 28.59 3hx0 s GLU 466 CO -0.06 -0.47 0.30 1.21 -0.49 0.00 0.00 175.26 175.75 3hx0 s ASN 467 N 1.73 3.03 1.09 -0.19 3.84 -0.89 -5.04 114.94 118.51 3hx0 s ASN 467 Ca 0.09 -2.85 0.00 0.00 0.21 0.00 0.00 52.86 50.30 3hx0 s ASN 467 Cb -0.17 -0.82 0.00 0.00 -0.55 0.00 0.00 41.25 39.71 3hx0 s ASN 467 CO 0.11 -0.22 0.00 0.61 -2.79 0.00 0.00 177.10 174.81 3hx0 n GLY 468 N 3.20 1.85 1.00 1.21 0.00 -1.26 -1.74 105.19 109.45 3hx0 n GLY 468 Ca 0.17 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.75 3hx0 n GLY 468 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hx0 n GLN 469 N 13.01 2.51 -4.09 1.61 6.02 -1.26 -4.88 117.38 130.31 3hx0 n GLN 469 Ca 0.00 -1.64 -0.32 0.00 -0.01 0.00 0.00 57.00 55.03 3hx0 n GLN 469 Cb 0.00 -1.59 -0.07 0.00 1.02 0.00 0.00 30.24 29.60 3hx0 n GLN 469 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3hx0 s GLN 470 N -1.68 2.93 -0.16 -1.09 -0.21 -0.71 -4.24 119.66 114.51 3hx0 s GLN 470 Ca 0.30 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 55.07 3hx0 s GLN 470 Cb 0.19 -2.77 0.03 0.00 1.00 0.00 0.00 33.01 31.46 3hx0 s GLN 470 CO 0.15 0.60 -0.11 -0.65 -2.12 0.00 0.00 175.29 173.16 3hx0 s GLN 471 N -2.08 2.04 0.08 2.91 -0.21 -0.33 -2.09 119.66 119.97 3hx0 s GLN 471 Ca 0.26 -0.58 0.06 0.00 0.02 0.00 0.00 55.36 55.11 3hx0 s GLN 471 Cb -0.12 -2.10 -0.04 0.00 1.00 0.00 0.00 33.01 31.75 3hx0 s GLN 471 CO 0.18 -0.31 -0.07 0.21 -2.12 0.00 0.00 175.29 173.18 3hx0 s LYS 472 N 1.51 2.32 -0.01 2.91 2.20 -1.02 -1.23 119.74 126.43 3hx0 s LYS 472 Ca 0.03 -0.91 0.01 0.00 -0.36 0.00 0.00 55.97 54.74 3hx0 s LYS 472 Cb -0.14 -2.40 0.00 0.00 -1.51 0.00 0.00 37.83 33.78 3hx0 s LYS 472 CO -0.09 0.54 -0.03 -0.47 -0.36 0.00 0.00 175.35 174.93 3hx0 s TYR 473 N -1.18 0.30 -0.22 4.03 5.04 0.41 -1.94 117.35 123.79 3hx0 s TYR 473 Ca 0.21 -0.05 -0.02 0.00 -2.44 0.00 0.00 57.07 54.77 3hx0 s TYR 473 Cb -0.11 -0.22 0.07 0.00 0.35 0.00 0.00 41.96 42.05 3hx0 s TYR 473 CO 0.13 -0.02 0.04 -0.51 -1.34 0.00 0.00 175.55 173.85 3hx0 s LEU 474 N 0.06 1.44 0.00 6.97 1.02 -1.07 -1.71 118.68 125.38 3hx0 s LEU 474 Ca -0.00 -1.01 0.00 0.00 0.02 0.00 0.00 54.13 53.14 3hx0 s LEU 474 Cb -0.03 -0.67 0.00 0.00 0.02 0.00 0.00 46.19 45.51 3hx0 s LEU 474 CO -0.00 -0.33 0.00 0.61 0.02 0.00 0.00 176.35 176.65 3hx0 n GLY 475 N 5.00 5.10 3.11 -3.19 0.00 -0.80 -0.28 105.19 114.14 3hx0 n GLY 475 Ca -0.08 -1.40 -0.24 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.07 1.22 0.19 1.61 1.01 0.62 -1.95 120.40 122.04 3hx0 s VAL 476 Ca 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.37 3hx0 s VAL 476 Cb 0.00 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 3hx0 s VAL 476 CO 0.00 0.35 0.01 0.00 0.00 0.00 0.00 175.10 175.46 3hx0 s ARG 478 N -3.91 0.19 0.45 0.00 3.52 -0.78 -0.60 118.95 117.83 3hx0 s ARG 478 Ca 0.26 0.78 -0.25 0.00 -0.13 0.00 0.00 55.73 56.39 3hx0 s ARG 478 Cb 0.06 0.02 -0.08 0.00 -1.56 0.00 0.00 34.95 33.39 3hx0 s ARG 478 CO 0.06 -0.26 1.42 -0.51 -0.81 0.00 0.00 175.30 175.20 3hx0 s LEU 479 N 2.28 4.10 0.21 -0.88 1.43 -1.26 -4.76 118.68 119.80 3hx0 s LEU 479 Ca -0.01 2.91 -0.31 0.00 -1.03 0.00 0.00 54.13 55.70 3hx0 s LEU 479 Cb -0.12 -3.95 -0.11 0.00 0.03 0.00 0.00 46.19 42.05 3hx0 s LEU 479 CO -0.09 -1.20 1.57 -2.84 0.23 0.00 0.00 176.35 174.02 3hx0 s PRO 480 N -2.47 4.20 0.00 1.29 0.02 -1.26 -4.82 135.00 131.96 3hx0 s PRO 480 Ca 0.61 2.43 0.00 0.00 0.02 0.00 0.00 61.00 64.06 3hx0 s PRO 480 Cb -0.44 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 30.97 3hx0 s PRO 480 CO 0.56 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 177.04 3hx0 n GLY 481 N 3.25 2.71 3.86 0.52 0.00 -1.26 -5.04 105.19 109.23 3hx0 n GLY 481 Ca 0.12 -1.90 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.86 3.89 0.00 1.61 0.04 -1.26 -4.10 135.00 133.32 3hx0 s PRO 482 Ca 0.00 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.65 3hx0 s PRO 482 Cb 0.00 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.17 3hx0 s PRO 482 CO 0.00 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.46 3hx0 n GLY 483 N -0.98 0.38 3.80 0.56 0.00 -1.26 -4.99 105.19 102.70 3hx0 n GLY 483 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.74 3.04 0.15 1.61 1.81 -1.26 -5.07 118.95 118.48 3hx0 s ARG 484 Ca 0.00 1.16 0.10 0.00 -1.72 0.00 0.00 55.73 55.27 3hx0 s ARG 484 Cb 0.00 -2.00 -0.04 0.00 -0.45 0.00 0.00 34.95 32.46 3hx0 s ARG 484 CO 0.00 -1.03 -0.23 1.03 -0.68 0.00 0.00 175.30 174.38 3hx0 s ARG 485 N -4.43 1.35 0.27 3.54 0.52 -1.26 -5.03 118.95 113.91 3hx0 s ARG 485 Ca 0.62 -1.36 -0.30 0.00 -0.52 0.00 0.00 55.73 54.17 3hx0 s ARG 485 Cb -0.16 -1.68 -0.10 0.00 0.52 0.00 0.00 34.95 33.53 3hx0 s ARG 485 CO 0.44 0.38 1.39 -1.01 0.02 0.00 0.00 175.30 176.52 3hx0 s HIS 486 N -1.40 3.04 0.06 -0.53 3.76 -1.26 -4.61 115.29 114.34 3hx0 s HIS 486 Ca 0.14 1.16 0.05 0.00 -0.15 0.00 0.00 55.06 56.26 3hx0 s HIS 486 Cb -0.09 -3.76 -0.03 0.00 1.11 0.00 0.00 32.58 29.81 3hx0 s HIS 486 CO 0.07 -2.37 -0.14 1.03 -0.85 0.00 0.00 174.74 172.47 3hx0 s ARG 487 N -0.78 0.88 0.12 1.40 1.81 0.23 -4.42 118.95 118.20 3hx0 s ARG 487 Ca 0.56 -0.88 -0.28 0.00 -1.72 0.00 0.00 55.73 53.41 3hx0 s ARG 487 Cb -0.41 -0.90 -0.07 0.00 -0.45 0.00 0.00 34.95 33.12 3hx0 s ARG 487 CO 0.46 0.21 0.88 1.03 -0.68 0.00 0.00 175.30 177.20 3hx0 s ARG 488 N -1.48 4.66 -0.04 3.54 0.52 -1.26 -0.87 118.95 124.02 3hx0 s ARG 488 Ca -0.00 1.32 0.03 0.00 -0.52 0.00 0.00 55.73 56.56 3hx0 s ARG 488 Cb -0.09 -3.34 0.00 0.00 0.52 0.00 0.00 34.95 32.04 3hx0 s ARG 488 CO 0.02 0.33 -0.12 -1.17 0.02 0.00 0.00 175.30 174.38 3hx0 s LEU 489 N -0.37 1.81 -0.17 2.53 2.96 -0.82 -1.80 118.68 122.82 3hx0 s LEU 489 Ca 0.42 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 3hx0 s LEU 489 Cb -0.23 -0.73 0.02 0.00 0.50 0.00 0.00 46.19 45.75 3hx0 s LEU 489 CO 0.28 0.09 -0.19 -1.81 -1.32 0.00 0.00 176.35 173.40 3hx0 s ASP 490 N 0.19 3.02 -0.11 3.68 1.01 0.85 -1.90 116.67 123.42 3hx0 s ASP 490 Ca -0.05 -0.60 0.02 0.00 0.71 0.00 0.00 52.55 52.63 3hx0 s ASP 490 Cb -0.10 -1.41 -0.01 0.00 1.01 0.00 0.00 42.92 42.41 3hx0 s ASP 490 CO 0.01 0.00 -0.17 -0.63 0.21 0.00 0.00 175.17 174.60 3hx0 s ILE 491 N 1.24 2.70 -0.04 0.77 1.01 -0.70 0.33 121.20 126.51 3hx0 s ILE 491 Ca 0.03 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 59.87 3hx0 s ILE 491 Cb -0.13 -2.09 0.03 0.00 0.01 0.00 0.00 42.46 40.27 3hx0 s ILE 491 CO -0.10 0.54 0.00 -0.63 0.00 0.00 0.00 174.94 174.75 3hx0 s ILE 492 N 0.19 0.25 -0.19 2.92 1.01 -0.21 -0.45 121.20 124.72 3hx0 s ILE 492 Ca -0.10 0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 3hx0 s ILE 492 Cb -0.16 -0.37 -0.02 0.00 0.01 0.00 0.00 42.46 41.93 3hx0 s ILE 492 CO 0.06 0.19 -0.05 -0.69 0.00 0.00 0.00 174.94 174.45 3hx0 s VAL 493 N 1.37 3.51 0.07 2.92 1.01 -0.36 0.29 120.40 129.21 3hx0 s VAL 493 Ca -0.05 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3hx0 s VAL 493 Cb -0.13 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 3hx0 s VAL 493 CO -0.02 0.45 -0.07 0.68 0.00 0.00 0.00 175.10 176.14 3hx0 s VAL 494 N 1.00 0.61 0.51 2.92 -7.23 -0.41 -1.19 120.40 116.60 3hx0 s VAL 494 Ca 0.00 -1.58 -0.22 0.00 -1.81 0.00 0.00 61.98 58.38 3hx0 s VAL 494 Cb -0.15 -1.23 -0.06 0.00 0.56 0.00 0.00 36.38 35.51 3hx0 s VAL 494 CO 0.00 -0.68 1.24 -2.84 -0.31 0.00 0.00 175.10 172.51 3hx0 s PRO 495 N -2.91 3.44 0.50 4.82 0.02 -1.26 -4.38 135.00 135.22 3hx0 s PRO 495 Ca 0.03 1.93 0.16 0.00 0.02 0.00 0.00 61.00 63.14 3hx0 s PRO 495 Cb -0.01 -2.28 1.21 0.00 0.02 0.00 0.00 34.50 33.43 3hx0 s PRO 495 CO -0.03 -0.86 2.10 -0.92 -0.33 0.00 0.00 177.00 176.96 3hx0 h TYR 496 N 1.68 0.11 0.00 6.54 3.20 -1.86 0.11 116.97 126.75 3hx0 h TYR 496 Ca -0.50 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.37 3hx0 h TYR 496 Cb 1.27 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.50 3hx0 h TYR 496 CO 0.50 0.07 0.00 -1.13 -1.64 0.00 0.00 178.16 175.96 3hx0 n SER 497 N -4.50 0.00 0.00 -2.11 3.41 -1.26 -1.83 113.62 107.33 3hx0 n SER 497 Ca 0.01 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3hx0 n SER 497 Cb 0.18 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 3hx0 n SER 497 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hx0 n GLU 498 N -1.25 0.13 -0.07 4.33 1.02 0.31 -4.83 120.64 120.28 3hx0 n GLU 498 Ca 0.06 -0.32 -0.07 0.00 -0.02 0.00 0.00 57.16 56.81 3hx0 n GLU 498 Cb 0.09 -0.80 -0.01 0.00 -0.02 0.00 0.00 31.44 30.70 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 0.00 -0.05 -0.16 -0.32 3.57 -0.65 0.96 116.94 120.28 3hx0 h PHE 499 Ca 0.00 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.57 3hx0 h PHE 499 Cb 0.11 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.84 3hx0 h PHE 499 CO 0.00 -0.06 -0.38 0.00 -2.23 0.00 0.00 178.31 175.64 3hx0 h ALA 500 N 1.24 -0.48 -0.28 2.41 0.00 -1.78 0.47 119.26 120.85 3hx0 h ALA 500 Ca 0.13 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3hx0 h ALA 500 Cb 0.18 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3hx0 h ALA 500 CO -0.24 -0.86 -0.03 0.00 0.00 0.00 0.00 179.25 178.12 3hx0 h ALA 502 N 0.80 -0.48 -0.08 0.00 0.00 -0.41 0.18 119.26 119.26 3hx0 h ALA 502 Ca 0.08 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3hx0 h ALA 502 Cb 0.49 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 3hx0 h ALA 502 CO 0.02 -0.84 -0.28 1.25 0.00 0.00 0.00 179.25 179.40 3hx0 h LEU 503 N -0.49 -0.85 -0.66 0.00 5.85 -0.04 0.17 115.31 119.29 3hx0 h LEU 503 Ca 0.05 0.12 0.12 0.00 0.84 0.00 0.00 57.88 59.02 3hx0 h LEU 503 Cb 0.56 0.36 -0.09 0.00 0.37 0.00 0.00 40.66 41.86 3hx0 h LEU 503 CO -0.25 -0.33 0.22 0.25 -0.34 0.00 0.00 178.44 178.00 3hx0 h LEU 504 N -0.38 0.18 0.18 2.25 5.85 -0.81 -1.51 115.31 121.08 3hx0 h LEU 504 Ca 0.09 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 3hx0 h LEU 504 Cb 0.50 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3hx0 h LEU 504 CO -0.30 0.08 -0.09 0.22 -0.34 0.00 0.00 178.44 178.02 3hx0 h TYR 505 N 0.38 -0.23 0.00 1.25 3.20 0.11 -3.12 116.97 118.56 3hx0 h TYR 505 Ca 0.35 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.22 3hx0 h TYR 505 Cb 0.50 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.85 3hx0 h TYR 505 CO -0.19 0.04 0.00 1.19 -1.64 0.00 0.00 178.16 177.56 3hx0 n PHE 506 N -5.09 0.00 0.02 -3.82 3.72 -0.02 -2.36 117.46 109.91 3hx0 n PHE 506 Ca -0.09 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.29 3hx0 n PHE 506 Cb 0.20 -0.03 -0.10 0.00 -0.94 0.00 0.00 39.48 38.62 3hx0 n PHE 506 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3hx0 n THR 507 N -1.03 1.26 -4.71 4.37 -1.04 -0.59 0.08 114.28 112.62 3hx0 n THR 507 Ca 0.18 -0.71 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 3hx0 n THR 507 Cb 0.10 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 3hx0 n THR 507 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hx0 n GLY 508 N 1.43 0.42 3.72 3.41 0.00 -0.99 -3.66 105.19 109.52 3hx0 n GLY 508 Ca -0.11 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 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 2.50 0.20 1.61 1.04 0.20 -4.76 113.70 110.51 3hx0 s SER 509 Ca 0.00 0.87 -0.10 0.00 0.48 0.00 0.00 55.95 57.20 3hx0 s SER 509 Cb 0.00 -1.34 0.24 0.00 0.10 0.00 0.00 66.02 65.02 3hx0 s SER 509 CO 0.00 -3.17 1.78 0.00 0.98 0.00 0.00 173.24 172.84 3hx0 h ALA 510 N -1.92 0.82 -0.42 5.32 0.00 -1.89 -0.02 119.26 121.14 3hx0 h ALA 510 Ca -0.50 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hx0 h ALA 510 Cb 1.31 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3hx0 h ALA 510 CO 0.51 -0.05 0.27 0.00 0.00 0.00 0.00 179.25 179.98 3hx0 h ALA 511 N 1.35 0.54 -0.79 0.00 0.00 -1.92 -0.89 119.26 117.54 3hx0 h ALA 511 Ca 0.29 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3hx0 h ALA 511 Cb 0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3hx0 h ALA 511 CO -0.21 0.01 0.52 0.35 0.00 0.00 0.00 179.25 179.92 3hx0 h PHE 512 N 0.56 1.00 -0.37 0.00 3.04 -1.47 -1.87 116.94 117.82 3hx0 h PHE 512 Ca 0.15 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.08 3hx0 h PHE 512 Cb -0.03 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 38.13 3hx0 h PHE 512 CO -0.04 0.63 0.05 -0.91 -2.02 0.00 0.00 178.31 176.02 3hx0 h ASN 513 N 1.07 0.60 -0.31 0.41 2.35 -0.41 -2.03 115.58 117.26 3hx0 h ASN 513 Ca 0.29 -0.27 0.07 0.00 -0.55 0.00 0.00 56.30 55.84 3hx0 h ASN 513 Cb -0.12 -0.16 -0.07 0.00 0.05 0.00 0.00 38.32 38.02 3hx0 h ASN 513 CO -0.06 0.72 -0.18 0.00 -1.65 0.00 0.00 177.43 176.26 3hx0 h ALA 514 N 0.90 0.05 -0.07 -0.83 0.00 -0.43 -0.56 119.26 118.32 3hx0 h ALA 514 Ca 0.11 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3hx0 h ALA 514 Cb 0.38 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3hx0 h ALA 514 CO 0.01 -0.57 -0.07 0.66 0.00 0.00 0.00 179.25 179.28 3hx0 h SER 515 N -0.14 -0.21 -0.54 0.00 4.64 -1.24 -0.59 113.55 115.46 3hx0 h SER 515 Ca 0.16 0.04 0.11 0.00 -0.47 0.00 0.00 61.79 61.63 3hx0 h SER 515 Cb 0.39 0.11 -0.11 0.00 -0.31 0.00 0.00 62.40 62.48 3hx0 h SER 515 CO -0.40 -0.10 -0.22 0.24 -0.87 0.00 0.00 176.83 175.49 3hx0 h MET 516 N -0.09 -0.09 -0.06 4.77 2.07 -0.58 0.31 114.93 121.26 3hx0 h MET 516 Ca 0.05 0.01 0.03 0.00 -2.07 0.00 0.00 59.70 57.72 3hx0 h MET 516 Cb 0.16 0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 29.87 3hx0 h MET 516 CO -0.12 -0.06 -0.17 0.00 1.07 0.00 0.00 176.91 177.63 3hx0 h ARG 517 N -0.09 -0.24 -0.64 1.72 3.08 -0.59 0.18 114.38 117.80 3hx0 h ARG 517 Ca 0.25 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.44 3hx0 h ARG 517 Cb 0.48 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.50 3hx0 h ARG 517 CO -0.60 -0.16 0.18 0.00 -1.07 0.00 0.00 179.97 178.31 3hx0 h ALA 518 N 0.72 0.80 -0.38 0.04 0.00 0.64 0.33 119.26 121.41 3hx0 h ALA 518 Ca 0.07 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3hx0 h ALA 518 Cb 0.35 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3hx0 h ALA 518 CO -0.20 -0.27 -0.12 1.25 0.00 0.00 0.00 179.25 179.91 3hx0 h LEU 519 N 0.32 0.76 -1.75 0.00 6.46 0.08 -2.73 115.31 118.46 3hx0 h LEU 519 Ca 0.34 -0.38 0.01 0.00 -0.12 0.00 0.00 57.88 57.73 3hx0 h LEU 519 Cb 0.50 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 3hx0 h LEU 519 CO -0.39 0.97 0.19 0.00 -0.62 0.00 0.00 178.44 178.58 3hx0 h ALA 520 N 0.82 1.84 -0.55 1.25 0.00 0.36 -2.05 119.26 120.94 3hx0 h ALA 520 Ca 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3hx0 h ALA 520 Cb 0.65 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3hx0 h ALA 520 CO 0.04 0.14 0.14 -0.22 0.00 0.00 0.00 179.25 179.35 3hx0 h LYS 521 N 0.35 0.87 -1.03 0.00 3.64 -0.66 -0.35 116.57 119.38 3hx0 h LYS 521 Ca 0.11 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3hx0 h LYS 521 Cb 0.01 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3hx0 h LYS 521 CO -0.02 0.81 0.00 0.25 -2.27 0.00 0.00 179.45 178.22 3hx0 n THR 522 N -4.42 0.56 -1.04 1.00 -2.24 -0.77 -1.82 114.28 105.54 3hx0 n THR 522 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3hx0 n THR 522 Cb 0.23 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 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 0.37 0.00 -3.31 -0.78 4.76 -0.86 -4.99 118.16 113.34 3hx0 n LYS 523 Ca 0.00 -0.47 -0.18 0.00 -2.87 0.00 0.00 58.31 54.80 3hx0 n LYS 523 Cb 0.36 -0.48 0.06 0.00 -1.84 0.00 0.00 35.03 33.13 3hx0 n LYS 523 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hx0 n GLY 524 N 0.00 -0.19 3.22 0.72 0.00 -0.76 -4.93 105.19 103.25 3hx0 n GLY 524 Ca 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 3hx0 n GLY 524 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hx0 s MET 525 N -5.89 1.21 -0.02 1.61 -1.94 -0.20 -0.49 119.30 113.58 3hx0 s MET 525 Ca 0.40 -1.60 -0.04 0.00 -1.71 0.00 0.00 55.69 52.74 3hx0 s MET 525 Cb -0.17 0.28 0.00 0.00 2.01 0.00 0.00 34.83 36.95 3hx0 s MET 525 CO 0.56 -0.40 0.09 -1.54 -0.01 0.00 0.00 175.02 173.72 3hx0 s SER 526 N -3.15 -0.04 -0.10 3.03 1.04 -0.05 -3.11 113.70 111.32 3hx0 s SER 526 Ca 0.37 0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.88 3hx0 s SER 526 Cb 0.07 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.39 3hx0 s SER 526 CO 0.11 -0.11 -0.16 -0.22 0.98 0.00 0.00 173.24 173.84 3hx0 s LEU 527 N -0.33 1.78 0.00 2.42 2.96 -1.26 -1.29 118.68 122.96 3hx0 s LEU 527 Ca -0.04 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.48 3hx0 s LEU 527 Cb -0.03 -1.10 -0.02 0.00 0.50 0.00 0.00 46.19 45.55 3hx0 s LEU 527 CO 0.00 0.04 0.15 -1.54 -1.32 0.00 0.00 176.35 173.68 3hx0 n SER 528 N 4.01 1.24 0.00 3.68 3.41 -1.17 -4.86 113.62 119.93 3hx0 n SER 528 Ca -0.20 -3.21 0.08 0.00 -0.26 0.00 0.00 58.87 55.29 3hx0 n SER 528 Cb 0.52 1.05 0.41 0.00 -0.26 0.00 0.00 64.21 65.92 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 -0.93 0.20 -0.11 4.33 0.00 -1.26 -3.44 120.64 119.42 3hx0 n GLU 529 Ca -0.06 0.14 -0.21 0.00 0.00 0.00 0.00 57.16 57.03 3hx0 n GLU 529 Cb 0.62 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.47 3hx0 n GLU 529 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3hx0 n HIS 530 N -1.32 0.56 -3.61 -1.84 8.25 -1.26 -2.46 115.22 113.53 3hx0 n HIS 530 Ca 0.07 0.24 -0.00 0.00 -0.26 0.00 0.00 57.72 57.77 3hx0 n HIS 530 Cb 0.14 -0.97 -0.01 0.00 1.12 0.00 0.00 29.99 30.28 3hx0 n HIS 530 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hx0 s ALA 531 N -2.51 -2.18 -0.40 -1.41 0.00 -1.22 -4.61 121.76 109.42 3hx0 s ALA 531 Ca -0.31 0.99 -0.21 0.00 0.00 0.00 0.00 51.96 52.43 3hx0 s ALA 531 Cb 0.08 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.42 3hx0 s ALA 531 CO 0.49 -0.90 0.66 -1.17 0.00 0.00 0.00 175.76 174.84 3hx0 s LEU 532 N -2.72 4.35 0.42 0.00 2.96 -1.26 -3.06 118.68 119.37 3hx0 s LEU 532 Ca 0.13 -0.08 0.07 0.00 -0.22 0.00 0.00 54.13 54.02 3hx0 s LEU 532 Cb 0.03 -2.78 -0.07 0.00 0.50 0.00 0.00 46.19 43.87 3hx0 s LEU 532 CO -0.04 -0.71 0.05 -0.44 -1.32 0.00 0.00 176.35 173.90 3hx0 s SER 533 N 1.92 4.03 0.66 3.68 0.01 -0.41 -0.13 113.70 123.47 3hx0 s SER 533 Ca 0.24 -1.31 -0.07 0.00 1.31 0.00 0.00 55.95 56.12 3hx0 s SER 533 Cb -0.14 -0.36 0.04 0.00 0.21 0.00 0.00 66.02 65.77 3hx0 s SER 533 CO 0.17 -0.50 0.98 -0.89 0.41 0.00 0.00 173.24 173.41 3hx0 s THR 534 N -2.69 2.85 0.26 1.44 2.01 -0.28 -0.87 115.64 118.37 3hx0 s THR 534 Ca 0.35 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 3hx0 s THR 534 Cb 0.08 -3.20 -0.14 0.00 0.01 0.00 0.00 72.50 69.26 3hx0 s THR 534 CO 0.18 -0.21 1.21 0.00 -0.69 0.00 0.00 174.62 175.11 3hx0 n ALA 535 N -2.80 0.36 -1.98 7.40 0.00 0.36 -4.09 120.51 119.76 3hx0 n ALA 535 Ca 0.07 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.50 3hx0 n ALA 535 Cb 0.59 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.87 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 -0.61 3.27 -0.99 0.00 -7.23 -1.26 -4.25 120.40 109.33 3hx0 s VAL 536 Ca 0.64 1.08 -0.24 0.00 -1.81 0.00 0.00 61.98 61.65 3hx0 s VAL 536 Cb -0.69 -3.69 -0.07 0.00 0.56 0.00 0.00 36.38 32.49 3hx0 s VAL 536 CO 0.56 0.18 1.98 -0.69 -0.31 0.00 0.00 175.10 176.82 3hx0 s VAL 537 N -0.13 3.43 -0.28 1.32 1.01 -0.09 -4.93 120.40 120.73 3hx0 s VAL 537 Ca 0.54 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.84 3hx0 s VAL 537 Cb -0.36 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 3hx0 s VAL 537 CO 0.39 -0.86 0.45 0.00 0.00 0.00 0.00 175.10 175.08 3hx0 s ARG 538 N 7.02 3.96 0.87 2.72 1.70 -1.26 -0.09 118.95 133.87 3hx0 s ARG 538 Ca 0.71 0.10 -0.13 0.00 -0.47 0.00 0.00 55.73 55.94 3hx0 s ARG 538 Cb -0.05 -3.68 0.20 0.00 -0.57 0.00 0.00 34.95 30.85 3hx0 s ARG 538 CO 0.05 -0.37 0.46 0.27 -1.08 0.00 0.00 175.30 174.63 3hx0 n ASN 539 N 5.47 -3.01 0.00 -2.89 0.23 -1.25 -4.48 115.26 109.33 3hx0 n ASN 539 Ca -0.06 -0.46 0.00 0.00 -0.53 0.00 0.00 54.58 53.52 3hx0 n ASN 539 Cb 0.50 -0.62 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 3hx0 n ASN 539 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 3hx0 n THR 540 N -4.43 0.00 -0.37 5.53 -1.04 -1.26 -0.40 114.28 112.32 3hx0 n THR 540 Ca 0.07 0.01 0.37 0.00 -2.04 0.00 0.00 64.05 62.46 3hx0 n THR 540 Cb 0.32 -0.06 0.61 0.00 -1.82 0.00 0.00 70.33 69.38 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 0.00 0.00 -1.42 3.86 -2.02 -3.43 115.15 112.14 3hx0 h HIS 541 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3hx0 h HIS 541 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3hx0 h HIS 541 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 3hx0 n GLY 542 N -1.78 0.76 0.00 2.45 0.00 0.46 -5.13 105.19 101.95 3hx0 n GLY 542 Ca 0.29 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.60 -3.57 4.61 0.00 -1.24 -4.94 120.51 115.97 3hx0 n ALA 543 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3hx0 n ALA 543 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.40 1.32 0.00 0.00 -2.85 -1.26 -4.54 119.74 112.82 3hx0 s LYS 544 Ca 0.00 -0.59 0.00 0.00 -1.00 0.00 0.00 55.97 54.38 3hx0 s LYS 544 Cb 0.00 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.31 3hx0 s LYS 544 CO 0.00 -0.59 0.00 1.33 0.10 0.00 0.00 175.35 176.19 3hx0 n VAL 545 N -0.39 0.00 0.00 1.79 0.24 0.87 -3.77 118.33 117.08 3hx0 n VAL 545 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 3hx0 n VAL 545 Cb 0.63 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 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 3.30 3.69 7.63 0.00 -1.16 -4.93 105.19 113.72 3hx0 n GLY 546 Ca 0.00 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 3hx0 n GLY 546 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hx0 n PRO 547 N 0.00 1.36 -1.58 1.61 -0.02 -1.26 -0.92 135.00 134.19 3hx0 n PRO 547 Ca 0.00 0.51 -0.29 0.00 -2.02 0.00 0.00 63.50 61.69 3hx0 n PRO 547 Cb 0.00 -2.40 0.11 0.00 -0.02 0.00 0.00 33.50 31.19 3hx0 n PRO 547 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3hx0 s GLY 548 N -1.04 1.60 0.36 -1.23 0.00 -1.26 -4.68 107.32 101.06 3hx0 s GLY 548 Ca 0.73 -0.38 -0.26 0.00 0.00 0.00 0.00 44.72 44.82 3hx0 s GLY 548 CO 0.48 0.11 1.03 -1.60 0.00 0.00 0.00 173.10 173.12 3hx0 s ARG 549 N -5.25 4.36 -0.14 2.90 3.52 -1.26 -4.61 118.95 118.47 3hx0 s ARG 549 Ca 0.62 1.52 -0.23 0.00 -0.13 0.00 0.00 55.73 57.52 3hx0 s ARG 549 Cb -0.14 -2.73 -0.03 0.00 -1.56 0.00 0.00 34.95 30.49 3hx0 s ARG 549 CO 0.53 0.03 0.69 0.08 -0.81 0.00 0.00 175.30 175.83 3hx0 s VAL 550 N -1.55 5.01 -0.02 7.11 1.01 -1.26 -1.13 120.40 129.57 3hx0 s VAL 550 Ca 0.53 1.36 -0.21 0.00 0.00 0.00 0.00 61.98 63.67 3hx0 s VAL 550 Cb -0.23 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 3hx0 s VAL 550 CO 0.29 0.15 0.62 -0.76 0.00 0.00 0.00 175.10 175.40 3hx0 s LEU 551 N 1.49 4.40 -0.31 3.92 1.43 0.82 -4.99 118.68 125.44 3hx0 s LEU 551 Ca 0.34 1.16 -0.28 0.00 -1.03 0.00 0.00 54.13 54.32 3hx0 s LEU 551 Cb -0.17 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.08 3hx0 s LEU 551 CO 0.14 0.06 1.79 -2.16 0.23 0.00 0.00 176.35 176.40 3hx0 s PRO 552 N 0.02 3.38 -0.49 1.29 0.04 -1.26 -4.44 135.00 133.53 3hx0 s PRO 552 Ca 0.32 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.87 3hx0 s PRO 552 Cb -0.18 -4.19 0.13 0.00 0.04 0.00 0.00 34.50 30.30 3hx0 s PRO 552 CO 0.17 -1.80 0.25 0.95 0.04 0.00 0.00 177.00 176.61 3hx0 s THR 553 N 6.74 2.22 0.36 1.26 -4.23 -1.26 -4.97 115.64 115.76 3hx0 s THR 553 Ca 0.80 -3.06 0.04 0.00 -1.18 0.00 0.00 61.69 58.28 3hx0 s THR 553 Cb -0.23 -2.55 0.23 0.00 1.34 0.00 0.00 72.50 71.29 3hx0 s THR 553 CO 0.34 -0.82 1.98 -0.65 -0.54 0.00 0.00 174.62 174.92 3hx0 h PRO 554 N 6.60 0.66 -4.50 3.99 0.11 -1.95 -3.41 132.00 133.51 3hx0 h PRO 554 Ca -0.06 -0.07 -0.27 0.00 0.11 0.00 0.00 66.00 65.71 3hx0 h PRO 554 Cb 0.90 -0.13 -0.13 0.00 0.11 0.00 0.00 31.00 31.75 3hx0 h PRO 554 CO 0.62 0.50 -0.49 0.95 -0.21 0.00 0.00 178.00 179.38 3hx0 s THR 555 N -5.43 0.00 0.22 -1.15 -4.23 -1.26 -4.47 115.64 99.32 3hx0 s THR 555 Ca -0.09 -1.89 -0.08 0.00 -1.18 0.00 0.00 61.69 58.45 3hx0 s THR 555 Cb 0.17 -2.47 0.16 0.00 1.34 0.00 0.00 72.50 71.70 3hx0 s THR 555 CO 0.76 0.00 1.81 -0.33 -0.54 0.00 0.00 174.62 176.32 3hx0 h GLU 556 N 2.43 0.71 -0.98 3.99 5.08 -1.89 -1.45 114.58 122.47 3hx0 h GLU 556 Ca -0.32 -0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.13 3hx0 h GLU 556 Cb 1.25 -0.16 -0.08 0.00 0.50 0.00 0.00 28.75 30.25 3hx0 h GLU 556 CO 0.46 0.47 0.62 0.87 -1.00 0.00 0.00 179.01 180.43 3hx0 h LYS 557 N 0.73 0.89 -0.76 2.33 1.57 -1.96 -0.23 116.57 119.13 3hx0 h LYS 557 Ca 0.32 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.07 3hx0 h LYS 557 Cb 0.21 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 3hx0 h LYS 557 CO -0.19 0.59 0.50 -0.44 -0.57 0.00 0.00 179.45 179.34 3hx0 h ASP 558 N 0.92 0.83 0.04 0.86 3.32 -1.65 0.21 116.42 120.94 3hx0 h ASP 558 Ca 0.50 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.53 3hx0 h ASP 558 Cb 0.57 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3hx0 h ASP 558 CO -0.27 0.58 -0.02 0.58 -1.72 0.00 0.00 179.24 178.40 3hx0 h VAL 559 N 0.97 1.25 -0.70 -1.35 2.07 -0.97 -1.33 116.25 116.18 3hx0 h VAL 559 Ca 0.30 -0.92 0.07 0.00 0.82 0.00 0.00 66.70 66.96 3hx0 h VAL 559 Cb -0.01 1.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 3hx0 h VAL 559 CO -0.08 0.23 0.39 -0.26 0.02 0.00 0.00 177.57 177.87 3hx0 h PHE 560 N -0.45 0.71 0.68 1.57 -1.00 -0.99 -1.22 116.94 116.24 3hx0 h PHE 560 Ca -0.00 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.77 3hx0 h PHE 560 Cb 0.42 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.77 3hx0 h PHE 560 CO 0.06 0.32 -0.36 -0.09 -1.61 0.00 0.00 178.31 176.63 3hx0 h ARG 561 N 0.70 -0.93 -0.18 1.51 2.43 -0.51 0.99 114.38 118.38 3hx0 h ARG 561 Ca 0.32 0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.61 3hx0 h ARG 561 Cb 0.23 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3hx0 h ARG 561 CO -0.20 -0.62 0.13 -0.07 -1.51 0.00 0.00 179.97 177.70 3hx0 h LEU 562 N -0.96 0.00 0.00 3.80 3.38 -1.02 -0.30 115.31 120.21 3hx0 h LEU 562 Ca -0.09 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3hx0 h LEU 562 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3hx0 h LEU 562 CO 0.12 0.00 -0.39 -0.07 0.09 0.00 0.00 178.44 178.19 3hx0 h LEU 563 N 0.00 0.00 -0.98 1.67 3.38 -0.89 -3.48 115.31 115.00 3hx0 h LEU 563 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hx0 h LEU 563 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3hx0 h LEU 563 CO -0.00 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.33 3hx0 n GLY 564 N 1.17 0.68 3.05 0.83 0.00 0.20 -4.99 105.19 106.13 3hx0 n GLY 564 Ca 0.02 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.98 2.22 -0.15 0.99 1.02 -0.38 -5.03 118.68 116.36 3hx0 s LEU 565 Ca 0.00 -0.48 -0.29 0.00 0.02 0.00 0.00 54.13 53.38 3hx0 s LEU 565 Cb 0.00 -0.19 -0.02 0.00 0.02 0.00 0.00 46.19 46.00 3hx0 s LEU 565 CO 0.00 -0.16 1.34 -2.16 0.02 0.00 0.00 176.35 175.39 3hx0 s PRO 566 N -1.35 4.21 0.12 1.29 0.04 -1.26 -4.26 135.00 133.78 3hx0 s PRO 566 Ca -0.08 1.75 -0.32 0.00 0.04 0.00 0.00 61.00 62.39 3hx0 s PRO 566 Cb -0.09 -3.81 -0.18 0.00 0.04 0.00 0.00 34.50 30.46 3hx0 s PRO 566 CO 0.00 -0.75 0.71 0.98 0.04 0.00 0.00 177.00 177.99 3hx0 n TYR 567 N 6.76 -0.04 -4.32 0.56 4.19 -1.26 -4.95 117.16 118.10 3hx0 n TYR 567 Ca 0.15 0.97 -0.33 0.00 3.31 0.00 0.00 57.90 62.00 3hx0 n TYR 567 Cb 0.44 -1.94 -0.16 0.00 0.49 0.00 0.00 39.34 38.17 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 -0.58 3.06 0.45 2.98 0.52 -1.26 -5.11 118.95 119.01 3hx0 s ARG 568 Ca 0.72 -0.81 -0.25 0.00 -0.52 0.00 0.00 55.73 54.87 3hx0 s ARG 568 Cb -1.03 -2.57 -0.08 0.00 0.52 0.00 0.00 34.95 31.79 3hx0 s ARG 568 CO 0.54 -0.12 1.43 -1.21 0.02 0.00 0.00 175.30 175.96 3hx0 s GLU 569 N 1.10 3.71 0.48 3.54 0.41 -1.26 -4.86 118.70 121.82 3hx0 s GLU 569 Ca 0.00 2.42 0.35 0.00 -0.41 0.00 0.00 54.97 57.32 3hx0 s GLU 569 Cb -0.14 -2.67 1.49 0.00 -1.78 0.00 0.00 34.13 31.02 3hx0 s GLU 569 CO -0.07 -0.79 1.66 -1.35 -0.49 0.00 0.00 175.26 174.22 3hx0 h PRO 570 N 2.36 0.08 0.00 0.39 0.11 -1.93 0.33 132.00 133.35 3hx0 h PRO 570 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hx0 h PRO 570 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hx0 h PRO 570 CO 0.61 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 178.46 3hx0 h ALA 571 N 1.42 1.00 -1.43 -0.75 0.00 -1.77 -3.14 119.26 114.59 3hx0 h ALA 571 Ca 0.77 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 55.09 3hx0 h ALA 571 Cb 2.68 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 20.05 3hx0 h ALA 571 CO -0.23 0.00 -0.69 -0.85 0.00 0.00 0.00 179.25 177.48 3hx0 n GLU 572 N -2.95 3.43 -2.41 0.00 0.28 0.12 -4.75 120.64 114.36 3hx0 n GLU 572 Ca -0.01 -4.45 -0.14 0.00 -0.16 0.00 0.00 57.16 52.40 3hx0 n GLU 572 Cb 0.20 -2.25 0.03 0.00 1.43 0.00 0.00 31.44 30.85 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 -0.51 2.73 0.10 3.44 1.74 -1.19 -4.80 116.66 118.18 3hx0 n ARG 573 Ca 0.40 -3.89 0.12 0.00 -0.77 0.00 0.00 57.85 53.72 3hx0 n ARG 573 Cb 0.68 -1.96 0.45 0.00 -1.02 0.00 0.00 32.46 30.61 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 -0.62 0.62 0.00 0.55 10.43 -1.26 -0.62 116.55 125.65 3hx0 n ASP 574 Ca 0.27 0.60 0.00 0.00 2.57 0.00 0.00 54.79 58.23 3hx0 n ASP 574 Cb 0.87 -0.75 0.00 0.00 1.84 0.00 0.00 41.12 43.08 3hx0 n ASP 574 CO 0.00 0.00 0.00 -2.67 -1.07 0.00 0.00 177.20 173.46