#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx0 n LYS 248 N 0.00 0.05 -1.23 -1.09 4.76 -1.26 -4.76 118.16 114.64 3hx0 n LYS 248 Ca 0.00 0.27 -0.29 0.00 -2.87 0.00 0.00 58.31 55.42 3hx0 n LYS 248 Cb 0.00 -1.50 0.15 0.00 -1.84 0.00 0.00 35.03 31.84 3hx0 n LYS 248 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hx0 s ALA 249 N -2.64 1.32 0.36 7.82 0.00 -1.26 -5.01 121.76 122.36 3hx0 s ALA 249 Ca 0.04 -0.24 -0.25 0.00 0.00 0.00 0.00 51.96 51.51 3hx0 s ALA 249 Cb 0.03 -3.14 -0.09 0.00 0.00 0.00 0.00 23.12 19.91 3hx0 s ALA 249 CO 0.07 -2.54 1.01 0.99 0.00 0.00 0.00 175.76 175.29 3hx0 s THR 250 N -2.98 3.89 -0.45 0.00 2.01 -1.26 -4.99 115.64 111.87 3hx0 s THR 250 Ca 0.64 1.53 -0.29 0.00 0.31 0.00 0.00 61.69 63.88 3hx0 s THR 250 Cb -0.18 -3.83 0.02 0.00 0.01 0.00 0.00 72.50 68.52 3hx0 s THR 250 CO 0.57 0.09 1.27 0.21 -0.69 0.00 0.00 174.62 176.06 3hx0 s ASN 251 N -1.53 6.49 0.24 3.53 2.47 -1.26 -4.89 114.94 120.00 3hx0 s ASN 251 Ca 0.54 0.64 0.17 0.00 0.42 0.00 0.00 52.86 54.63 3hx0 s ASN 251 Cb -0.21 -2.55 0.05 0.00 -1.45 0.00 0.00 41.25 37.09 3hx0 s ASN 251 CO 0.27 -1.34 1.29 0.45 -3.72 0.00 0.00 177.10 174.06 3hx0 h HIS 252 N 9.92 0.00 -1.05 0.43 3.86 -1.83 -3.34 115.15 123.15 3hx0 h HIS 252 Ca -0.25 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.31 3hx0 h HIS 252 Cb 1.08 0.00 -0.33 0.00 1.06 0.00 0.00 27.41 29.22 3hx0 h HIS 252 CO 0.97 0.42 0.43 0.09 0.86 0.00 0.00 177.93 180.70 3hx0 n ASN 253 N -3.09 6.92 0.21 2.45 3.02 -1.26 -4.67 115.26 118.85 3hx0 n ASN 253 Ca -0.01 -3.78 0.06 0.00 -0.03 0.00 0.00 54.58 50.83 3hx0 n ASN 253 Cb 0.72 -0.81 0.56 0.00 -0.61 0.00 0.00 39.78 39.63 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 2.15 0.06 -0.54 3.41 5.85 -1.97 -0.77 115.31 123.50 3hx0 h LEU 254 Ca 0.54 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.25 3hx0 h LEU 254 Cb 0.92 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3hx0 h LEU 254 CO 1.36 0.11 0.00 0.00 -0.34 0.00 0.00 178.44 179.57 3hx0 n HIS 255 N -4.45 0.74 -0.02 1.25 1.44 -1.26 -2.21 115.22 110.71 3hx0 n HIS 255 Ca -0.02 0.28 -0.02 0.00 -2.01 0.00 0.00 57.72 55.95 3hx0 n HIS 255 Cb 0.14 -0.95 -0.01 0.00 0.12 0.00 0.00 29.99 29.30 3hx0 n HIS 255 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3hx0 n ILE 256 N -2.16 0.35 -0.34 0.61 5.41 -0.37 -4.49 119.36 118.36 3hx0 n ILE 256 Ca 0.03 0.42 0.31 0.00 1.00 0.00 0.00 62.75 64.50 3hx0 n ILE 256 Cb 0.25 -1.70 0.65 0.00 -0.71 0.00 0.00 39.64 38.13 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 -0.24 0.41 -1.00 1.39 1.35 -1.48 0.20 112.91 113.54 3hx0 h THR 257 Ca 0.00 -0.05 0.18 0.00 -0.55 0.00 0.00 66.41 65.98 3hx0 h THR 257 Cb 0.23 0.24 -0.10 0.00 -1.73 0.00 0.00 68.15 66.79 3hx0 h THR 257 CO 0.00 0.03 0.62 -0.08 -0.25 0.00 0.00 175.52 175.84 3hx0 h GLU 258 N 0.16 0.77 0.14 4.72 4.81 -1.67 -0.88 114.58 122.62 3hx0 h GLU 258 Ca 0.61 -0.05 -0.35 0.00 -0.13 0.00 0.00 59.36 59.44 3hx0 h GLU 258 Cb 2.04 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 31.24 3hx0 h GLU 258 CO -0.16 0.51 -1.88 0.87 -0.73 0.00 0.00 179.01 177.62 3hx0 h LYS 259 N 0.79 0.29 -0.78 1.92 1.57 -0.84 -3.37 116.57 116.15 3hx0 h LYS 259 Ca 0.56 -0.49 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3hx0 h LYS 259 Cb 0.84 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 3hx0 h LYS 259 CO -0.36 1.20 0.52 -0.07 -0.57 0.00 0.00 179.45 180.17 3hx0 h LEU 260 N 0.08 0.85 -0.94 2.94 3.38 -1.11 0.94 115.31 121.44 3hx0 h LEU 260 Ca -0.38 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3hx0 h LEU 260 Cb 2.05 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.60 3hx0 h LEU 260 CO 0.12 0.59 0.00 1.21 0.09 0.00 0.00 178.44 180.45 3hx0 n GLU 261 N -4.44 0.12 0.08 1.13 2.13 -0.37 -1.03 120.64 118.26 3hx0 n GLU 261 Ca 0.10 0.55 -0.22 0.00 0.66 0.00 0.00 57.16 58.25 3hx0 n GLU 261 Cb 0.09 -1.83 -0.13 0.00 0.27 0.00 0.00 31.44 29.85 3hx0 n GLU 261 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3hx0 h VAL 262 N 0.00 1.28 -0.00 6.31 2.07 -0.98 -2.61 116.25 122.32 3hx0 h VAL 262 Ca 0.00 -2.41 -0.24 0.00 0.82 0.00 0.00 66.70 64.87 3hx0 h VAL 262 Cb 0.09 2.63 0.01 0.00 -1.52 0.00 0.00 31.29 32.50 3hx0 h VAL 262 CO 0.00 0.74 -0.96 -0.07 0.02 0.00 0.00 177.57 177.29 3hx0 h LEU 263 N 0.29 0.63 -0.05 2.57 3.38 -1.09 -1.64 115.31 119.40 3hx0 h LEU 263 Ca -0.18 -0.51 0.03 0.00 0.09 0.00 0.00 57.88 57.31 3hx0 h LEU 263 Cb 1.87 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.39 3hx0 h LEU 263 CO 0.23 1.30 -0.11 0.00 0.09 0.00 0.00 178.44 179.95 3hx0 h ALA 264 N 0.65 -0.09 0.00 1.53 0.00 -1.14 0.25 119.26 120.46 3hx0 h ALA 264 Ca -0.09 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3hx0 h ALA 264 Cb 1.60 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 3hx0 h ALA 264 CO 0.17 -0.59 -0.25 1.57 0.00 0.00 0.00 179.25 180.15 3hx0 h LYS 265 N -0.17 0.00 0.72 0.00 -0.00 -1.51 -0.37 116.57 115.24 3hx0 h LYS 265 Ca 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.67 3hx0 h LYS 265 Cb 0.25 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 32.49 3hx0 h LYS 265 CO -0.15 0.25 -0.34 0.00 -0.00 0.00 0.00 179.45 179.21 3hx0 h ALA 266 N 1.75 -0.96 -0.30 0.07 0.00 -0.05 -2.57 119.26 117.19 3hx0 h ALA 266 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3hx0 h ALA 266 Cb 0.62 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3hx0 h ALA 266 CO 0.03 -0.90 0.16 1.88 0.00 0.00 0.00 179.25 180.43 3hx0 h TYR 267 N -1.26 0.41 -0.52 0.00 0.05 -0.57 -3.14 116.97 111.94 3hx0 h TYR 267 Ca -0.10 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.73 3hx0 h TYR 267 Cb 0.74 -0.13 -0.08 0.00 1.01 0.00 0.00 36.73 38.27 3hx0 h TYR 267 CO 0.00 0.34 -0.52 1.03 -1.05 0.00 0.00 178.16 177.96 3hx0 h SER 268 N 0.36 -1.78 -0.20 3.88 0.87 -1.10 -0.28 113.55 115.30 3hx0 h SER 268 Ca 0.10 0.24 0.06 0.00 -1.23 0.00 0.00 61.79 60.97 3hx0 h SER 268 Cb 0.07 0.75 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 3hx0 h SER 268 CO -0.02 -0.32 0.15 -0.37 -0.53 0.00 0.00 176.83 175.74 3hx0 h VAL 269 N -0.26 0.86 0.00 2.23 -1.51 -1.48 -0.95 116.25 115.13 3hx0 h VAL 269 Ca 0.09 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.45 3hx0 h VAL 269 Cb 0.49 0.89 -0.02 0.00 -2.13 0.00 0.00 31.29 30.53 3hx0 h VAL 269 CO -0.63 0.00 -0.51 1.56 -1.23 0.00 0.00 177.57 176.76 3hx0 h GLN 270 N 0.00 0.00 0.00 5.19 4.20 -1.03 -3.44 115.11 120.03 3hx0 h GLN 270 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3hx0 h GLN 270 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3hx0 h GLN 270 CO -0.00 0.51 0.00 0.41 -0.67 0.00 0.00 178.83 179.08 3hx0 n GLY 271 N 0.28 1.55 2.85 3.46 0.00 -0.36 -5.01 105.19 107.96 3hx0 n GLY 271 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 3.31 -0.37 1.61 -0.08 -1.12 -4.72 116.55 115.18 3hx0 n ASP 272 Ca 0.00 -2.38 -0.01 0.00 -1.51 0.00 0.00 54.79 50.89 3hx0 n ASP 272 Cb 0.00 -0.98 0.04 0.00 2.34 0.00 0.00 41.12 42.52 3hx0 n ASP 272 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 3hx0 n LYS 273 N 5.30 -0.22 -0.01 -0.67 -0.00 -1.26 -2.10 118.16 119.20 3hx0 n LYS 273 Ca 0.39 1.48 -0.13 0.00 -0.00 0.00 0.00 58.31 60.06 3hx0 n LYS 273 Cb 0.20 -2.20 -0.00 0.00 -0.00 0.00 0.00 35.03 33.03 3hx0 n LYS 273 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.40 175.91 3hx0 h TRP 274 N 0.00 0.85 -0.70 5.58 4.06 -1.99 -1.91 115.95 121.85 3hx0 h TRP 274 Ca 0.34 -0.34 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 3hx0 h TRP 274 Cb 0.58 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 28.56 3hx0 h TRP 274 CO -0.84 1.12 0.32 -0.09 -3.56 0.00 0.00 178.44 175.39 3hx0 h ARG 275 N 0.48 1.02 -0.19 0.49 2.43 -1.85 -0.94 114.38 115.81 3hx0 h ARG 275 Ca -0.02 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 3hx0 h ARG 275 Cb 1.24 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 3hx0 h ARG 275 CO 0.13 0.81 0.10 0.00 -1.51 0.00 0.00 179.97 179.50 3hx0 h ALA 276 N 1.15 0.25 -0.17 2.80 0.00 -1.41 -1.61 119.26 120.27 3hx0 h ALA 276 Ca 0.24 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.13 3hx0 h ALA 276 Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hx0 h ALA 276 CO -0.03 -0.20 0.17 0.00 0.00 0.00 0.00 179.25 179.19 3hx0 h ALA 277 N 0.98 1.87 0.14 0.00 0.00 -0.90 -1.45 119.26 119.90 3hx0 h ALA 277 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hx0 h ALA 277 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hx0 h ALA 277 CO -0.01 -0.26 -0.07 0.78 0.00 0.00 0.00 179.25 179.70 3hx0 h GLY 278 N 0.00 -0.20 0.65 0.00 0.00 -0.18 -2.89 103.07 100.44 3hx0 h GLY 278 Ca 0.08 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.56 3hx0 h GLY 278 CO -0.00 -0.07 0.46 -0.97 0.00 0.00 0.00 176.54 175.96 3hx0 h TYR 279 N -0.48 0.85 -0.51 5.60 -1.99 -1.08 -2.26 116.97 117.08 3hx0 h TYR 279 Ca -0.02 0.03 0.08 0.00 2.00 0.00 0.00 58.73 60.82 3hx0 h TYR 279 Cb 0.38 -0.26 -0.10 0.00 2.00 0.00 0.00 36.73 38.74 3hx0 h TYR 279 CO 0.02 0.40 -0.43 0.00 -0.00 0.00 0.00 178.16 178.15 3hx0 h ALA 280 N 1.40 -0.36 -0.72 3.88 0.00 -1.20 0.52 119.26 122.79 3hx0 h ALA 280 Ca 0.36 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.31 3hx0 h ALA 280 Cb 0.24 0.93 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3hx0 h ALA 280 CO -0.20 -0.84 0.24 -0.22 0.00 0.00 0.00 179.25 178.23 3hx0 h LYS 281 N -0.26 1.10 0.02 0.00 3.64 -1.28 -2.11 116.57 117.67 3hx0 h LYS 281 Ca 0.16 -0.22 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3hx0 h LYS 281 Cb 0.57 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3hx0 h LYS 281 CO -0.64 0.92 -0.06 0.00 -2.27 0.00 0.00 179.45 177.40 3hx0 h ALA 282 N 1.20 -0.08 -0.48 5.00 0.00 -0.45 -0.38 119.26 124.07 3hx0 h ALA 282 Ca 0.23 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.21 3hx0 h ALA 282 Cb 0.27 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3hx0 h ALA 282 CO -0.01 -0.56 0.16 0.82 0.00 0.00 0.00 179.25 179.66 3hx0 h ILE 283 N -0.12 0.83 -0.69 0.00 2.04 0.19 -2.01 117.51 117.75 3hx0 h ILE 283 Ca 0.02 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 3hx0 h ILE 283 Cb 0.14 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 3hx0 h ILE 283 CO -0.05 0.06 0.24 0.78 0.00 0.00 0.00 178.15 179.18 3hx0 h ASN 284 N 0.33 0.98 -0.79 1.72 2.35 -1.11 -0.36 115.58 118.70 3hx0 h ASN 284 Ca 0.23 -0.16 0.11 0.00 -0.55 0.00 0.00 56.30 55.92 3hx0 h ASN 284 Cb 0.24 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.30 3hx0 h ASN 284 CO -0.24 0.90 0.52 0.00 -1.65 0.00 0.00 177.43 176.96 3hx0 h ALA 285 N 1.24 1.82 0.04 -0.83 0.00 -0.34 -0.70 119.26 120.50 3hx0 h ALA 285 Ca 0.23 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hx0 h ALA 285 Cb 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hx0 h ALA 285 CO -0.01 -0.00 -0.02 -0.07 0.00 0.00 0.00 179.25 179.14 3hx0 h LEU 286 N 0.67 -0.05 -1.44 0.00 3.38 -1.01 -2.89 115.31 113.97 3hx0 h LEU 286 Ca 0.37 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3hx0 h LEU 286 Cb 0.54 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3hx0 h LEU 286 CO -0.14 0.69 0.26 0.11 0.09 0.00 0.00 178.44 179.45 3hx0 h LYS 287 N -0.92 0.00 -0.01 1.13 1.57 -0.61 0.38 116.57 118.10 3hx0 h LYS 287 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3hx0 h LYS 287 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3hx0 h LYS 287 CO 0.01 0.00 -0.04 0.45 -0.57 0.00 0.00 179.45 179.30 3hx0 n SER 288 N -2.43 1.94 -4.68 0.86 2.88 -0.31 -4.42 113.62 107.46 3hx0 n SER 288 Ca -0.01 -1.47 -0.43 0.00 -1.33 0.00 0.00 58.87 55.63 3hx0 n SER 288 Cb 0.30 0.08 -0.02 0.00 -0.75 0.00 0.00 64.21 63.82 3hx0 n SER 288 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3hx0 s PHE 289 N -1.15 3.10 0.44 0.66 5.36 0.13 -4.90 117.98 121.62 3hx0 s PHE 289 Ca 0.14 1.17 0.23 0.00 -0.96 0.00 0.00 56.93 57.51 3hx0 s PHE 289 Cb 0.11 -3.44 1.25 0.00 -0.34 0.00 0.00 43.02 40.60 3hx0 s PHE 289 CO 0.19 -1.38 1.67 1.12 -1.46 0.00 0.00 175.22 175.36 3hx0 h HIS 290 N 7.68 0.00 -4.39 10.12 2.07 -1.92 -3.42 115.15 125.29 3hx0 h HIS 290 Ca -0.31 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.01 3hx0 h HIS 290 Cb 1.14 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 30.98 3hx0 h HIS 290 CO 0.75 0.00 -0.51 -1.59 -3.07 0.00 0.00 177.93 173.52 3hx0 s LYS 291 N -3.83 1.28 0.09 5.12 -2.85 -1.26 -5.01 119.74 113.29 3hx0 s LYS 291 Ca -0.03 -1.55 -0.25 0.00 -1.00 0.00 0.00 55.97 53.14 3hx0 s LYS 291 Cb 0.07 0.32 -0.06 0.00 -2.06 0.00 0.00 37.83 36.09 3hx0 s LYS 291 CO 0.21 -0.45 0.78 -1.25 0.10 0.00 0.00 175.35 174.74 3hx0 s PRO 292 N -4.12 4.53 -0.02 1.78 0.04 -1.26 -4.77 135.00 131.18 3hx0 s PRO 292 Ca 0.35 1.12 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 3hx0 s PRO 292 Cb 0.05 -3.33 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 3hx0 s PRO 292 CO 0.12 0.38 1.36 0.54 0.04 0.00 0.00 177.00 179.43 3hx0 s VAL 293 N -0.44 3.86 -0.05 -0.36 0.11 -1.26 -4.90 120.40 117.37 3hx0 s VAL 293 Ca 0.38 1.22 0.08 0.00 -2.93 0.00 0.00 61.98 60.73 3hx0 s VAL 293 Cb -0.22 -3.78 -0.12 0.00 -1.53 0.00 0.00 36.38 30.73 3hx0 s VAL 293 CO 0.25 -0.01 0.11 0.35 -3.33 0.00 0.00 175.10 172.46 3hx0 n THR 294 N 4.72 0.30 -4.35 5.04 -2.24 -1.26 -5.05 114.28 111.45 3hx0 n THR 294 Ca 0.13 -0.29 -0.21 0.00 -2.27 0.00 0.00 64.05 61.41 3hx0 n THR 294 Cb 0.44 -0.27 -0.11 0.00 -2.10 0.00 0.00 70.33 68.29 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 -3.57 2.75 0.10 3.42 1.04 -1.26 -5.05 113.70 111.13 3hx0 s SER 295 Ca -0.04 -0.90 -0.23 0.00 0.48 0.00 0.00 55.95 55.26 3hx0 s SER 295 Cb 0.04 -0.17 -0.12 0.00 0.10 0.00 0.00 66.02 65.88 3hx0 s SER 295 CO 0.36 -0.05 1.71 0.22 0.98 0.00 0.00 173.24 176.46 3hx0 h TYR 296 N 3.06 -0.16 -0.92 5.02 3.20 -1.96 -1.55 116.97 123.65 3hx0 h TYR 296 Ca -0.41 0.00 0.22 0.00 3.14 0.00 0.00 58.73 61.68 3hx0 h TYR 296 Cb 1.21 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 39.48 3hx0 h TYR 296 CO 0.70 -0.10 0.61 0.37 -1.64 0.00 0.00 178.16 178.10 3hx0 h GLN 297 N -0.12 0.36 -0.20 1.82 4.15 -1.98 0.66 115.11 119.78 3hx0 h GLN 297 Ca 0.02 -0.02 -0.21 0.00 0.77 0.00 0.00 58.65 59.21 3hx0 h GLN 297 Cb 0.14 -0.08 0.01 0.00 0.21 0.00 0.00 27.48 27.76 3hx0 h GLN 297 CO -0.05 0.24 -0.69 1.49 -1.93 0.00 0.00 178.83 177.88 3hx0 h GLU 298 N 0.37 0.82 0.00 1.69 4.81 -1.73 -2.64 114.58 117.89 3hx0 h GLU 298 Ca 0.48 -0.61 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3hx0 h GLU 298 Cb 1.26 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.75 3hx0 h GLU 298 CO -0.17 1.23 -0.02 0.00 -0.73 0.00 0.00 179.01 179.31 3hx0 h ALA 299 N 0.62 1.06 -0.00 2.92 0.00 0.00 -1.02 119.26 122.84 3hx0 h ALA 299 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hx0 h ALA 299 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3hx0 h ALA 299 CO 0.15 0.02 -0.65 0.00 0.00 0.00 0.00 179.25 178.77 3hx0 n SER 301 N -1.25 0.63 -4.60 0.00 3.41 -0.39 -4.80 113.62 106.61 3hx0 n SER 301 Ca 0.06 -0.53 -0.38 0.00 -0.26 0.00 0.00 58.87 57.76 3hx0 n SER 301 Cb 0.35 0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.22 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 -2.63 5.28 -0.20 -1.33 1.01 -1.23 -5.03 121.20 117.07 3hx0 s ILE 302 Ca 0.23 0.28 -0.28 0.00 0.00 0.00 0.00 60.65 60.88 3hx0 s ILE 302 Cb 0.19 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.03 3hx0 s ILE 302 CO 0.54 0.24 2.21 -0.81 0.00 0.00 0.00 174.94 177.12 3hx0 n PRO 303 N 5.01 2.01 0.00 2.79 -0.04 -1.26 -1.70 135.00 141.81 3hx0 n PRO 303 Ca -0.13 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 3hx0 n PRO 303 Cb 0.52 -3.22 0.00 0.00 -0.04 0.00 0.00 33.50 30.76 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 5.70 0.86 3.20 0.55 0.00 -1.26 -4.94 105.19 109.31 3hx0 n GLY 304 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.60 1.74 0.35 -0.61 1.01 -0.69 -4.26 121.20 118.15 3hx0 s ILE 305 Ca 0.00 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.80 3hx0 s ILE 305 Cb 0.00 -1.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 3hx0 s ILE 305 CO 0.00 0.49 0.08 -0.83 0.00 0.00 0.00 174.94 174.68 3hx0 s GLY 306 N -0.00 2.23 0.20 6.18 0.00 -1.26 -4.69 107.32 109.98 3hx0 s GLY 306 Ca -0.05 -1.79 -0.07 0.00 0.00 0.00 0.00 44.72 42.80 3hx0 s GLY 306 CO 0.03 -1.82 1.16 0.28 0.00 0.00 0.00 173.10 172.75 3hx0 n LYS 307 N -0.75 -0.08 0.09 2.90 4.76 -1.26 -0.45 118.16 123.37 3hx0 n LYS 307 Ca -0.04 1.16 -0.12 0.00 -2.87 0.00 0.00 58.31 56.44 3hx0 n LYS 307 Cb 0.66 -1.73 -0.05 0.00 -1.84 0.00 0.00 35.03 32.07 3hx0 n LYS 307 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hx0 h ARG 308 N 0.00 -0.42 -0.28 1.97 3.08 -1.99 0.95 114.38 117.68 3hx0 h ARG 308 Ca 0.34 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.37 3hx0 h ARG 308 Cb 0.53 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3hx0 h ARG 308 CO -0.76 -0.28 -0.01 1.98 -1.07 0.00 0.00 179.97 179.83 3hx0 h MET 309 N -0.44 0.51 -0.88 0.04 4.05 -1.15 -2.99 114.93 114.06 3hx0 h MET 309 Ca 0.04 -0.17 0.08 0.00 -0.28 0.00 0.00 59.70 59.38 3hx0 h MET 309 Cb 0.49 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.19 3hx0 h MET 309 CO -0.18 0.67 0.57 0.00 0.23 0.00 0.00 176.91 178.19 3hx0 h ALA 310 N 0.82 1.58 0.00 0.39 0.00 -0.57 0.12 119.26 121.60 3hx0 h ALA 310 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hx0 h ALA 310 Cb 0.44 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hx0 h ALA 310 CO 0.02 0.26 0.00 0.93 0.00 0.00 0.00 179.25 180.46 3hx0 h GLU 311 N 0.94 0.00 0.03 0.00 5.08 -0.66 -1.42 114.58 118.56 3hx0 h GLU 311 Ca 0.39 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.44 3hx0 h GLU 311 Cb 0.30 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 3hx0 h GLU 311 CO -0.16 0.00 -1.84 1.63 -1.00 0.00 0.00 179.01 177.65 3hx0 n LYS 312 N -3.05 0.67 -0.07 2.33 5.02 0.35 -3.67 118.16 119.74 3hx0 n LYS 312 Ca -0.02 0.27 -0.11 0.00 -2.02 0.00 0.00 58.31 56.42 3hx0 n LYS 312 Cb 0.11 -1.75 -0.05 0.00 -0.02 0.00 0.00 35.03 33.32 3hx0 n LYS 312 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3hx0 h ILE 313 N 0.02 1.22 -0.30 -0.18 2.04 -0.54 -2.65 117.51 117.12 3hx0 h ILE 313 Ca -0.34 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 64.79 3hx0 h ILE 313 Cb 2.03 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 3hx0 h ILE 313 CO 0.08 0.23 0.18 0.40 0.00 0.00 0.00 178.15 179.03 3hx0 h ILE 314 N 0.14 1.10 -0.14 -0.67 1.08 -1.57 0.57 117.51 118.03 3hx0 h ILE 314 Ca 0.06 -0.24 0.04 0.00 -0.39 0.00 0.00 64.86 64.33 3hx0 h ILE 314 Cb 0.31 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 3hx0 h ILE 314 CO 0.00 0.10 0.16 -0.08 -0.69 0.00 0.00 178.15 177.65 3hx0 h GLU 315 N 0.38 0.00 0.13 2.37 4.81 -1.61 0.10 114.58 120.77 3hx0 h GLU 315 Ca 0.11 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.00 3hx0 h GLU 315 Cb 0.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3hx0 h GLU 315 CO -0.02 0.00 -1.79 0.82 -0.73 0.00 0.00 179.01 177.29 3hx0 h ILE 316 N 0.00 0.86 -0.40 2.32 2.04 -0.94 -2.44 117.51 118.95 3hx0 h ILE 316 Ca 0.07 -2.53 -0.13 0.00 1.00 0.00 0.00 64.86 63.27 3hx0 h ILE 316 Cb 0.39 2.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 3hx0 h ILE 316 CO -0.00 0.83 -0.27 -0.07 0.00 0.00 0.00 178.15 178.64 3hx0 h LEU 317 N 0.08 0.93 0.00 1.44 3.38 0.15 0.41 115.31 121.69 3hx0 h LEU 317 Ca -0.35 -0.43 -0.16 0.00 0.09 0.00 0.00 57.88 57.03 3hx0 h LEU 317 Cb 2.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 42.52 3hx0 h LEU 317 CO 0.13 1.16 -1.19 -0.33 0.09 0.00 0.00 178.44 178.31 3hx0 h GLU 318 N 0.70 0.00 0.00 1.13 5.08 -1.01 -3.39 114.58 117.09 3hx0 h GLU 318 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3hx0 h GLU 318 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3hx0 h GLU 318 CO 0.07 0.40 -1.10 0.43 -1.00 0.00 0.00 179.01 177.81 3hx0 n SER 319 N -3.01 2.49 0.00 1.42 7.64 -0.92 -4.99 113.62 116.25 3hx0 n SER 319 Ca -0.07 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.64 3hx0 n SER 319 Cb 0.84 1.27 0.00 0.00 -1.01 0.00 0.00 64.21 65.30 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 1.83 0.21 3.08 0.23 0.00 0.14 -4.93 105.19 105.76 3hx0 n GLY 320 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3hx0 n GLY 320 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hx0 s HIS 321 N -1.52 0.31 -0.16 1.61 5.65 -1.26 -5.03 115.29 114.90 3hx0 s HIS 321 Ca 0.00 -0.69 0.02 0.00 0.25 0.00 0.00 55.06 54.64 3hx0 s HIS 321 Cb 0.00 -0.23 0.01 0.00 -1.18 0.00 0.00 32.58 31.19 3hx0 s HIS 321 CO 0.00 -0.34 -0.21 -1.17 -0.65 0.00 0.00 174.74 172.37 3hx0 s LEU 322 N -2.28 2.14 0.09 8.88 2.96 -1.26 -4.26 118.68 124.95 3hx0 s LEU 322 Ca -0.03 -0.62 -0.21 0.00 -0.22 0.00 0.00 54.13 53.06 3hx0 s LEU 322 Cb 0.00 -1.47 -0.10 0.00 0.50 0.00 0.00 46.19 45.12 3hx0 s LEU 322 CO -0.06 0.04 1.63 0.08 -1.32 0.00 0.00 176.35 176.73 3hx0 h ARG 323 N 7.60 0.23 -0.73 1.98 0.11 -1.98 -3.15 114.38 118.44 3hx0 h ARG 323 Ca -0.38 -0.04 0.12 0.00 0.10 0.00 0.00 59.98 59.78 3hx0 h ARG 323 Cb 1.17 -0.04 -0.13 0.00 1.11 0.00 0.00 29.97 32.08 3hx0 h ARG 323 CO 0.59 0.31 -0.37 1.57 0.10 0.00 0.00 179.97 182.17 3hx0 h LYS 324 N 0.11 -0.11 -1.09 0.08 -0.00 -1.97 0.24 116.57 113.84 3hx0 h LYS 324 Ca 0.05 0.01 0.30 0.00 -0.00 0.00 0.00 60.65 61.01 3hx0 h LYS 324 Cb 0.16 0.02 -0.09 0.00 -0.00 0.00 0.00 32.23 32.32 3hx0 h LYS 324 CO -0.00 -0.07 0.71 -0.07 -0.00 0.00 0.00 179.45 180.02 3hx0 h LEU 325 N -0.11 0.36 -2.00 7.07 3.38 -1.97 0.46 115.31 122.49 3hx0 h LEU 325 Ca 0.27 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3hx0 h LEU 325 Cb 0.57 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3hx0 h LEU 325 CO -0.79 0.04 0.00 0.44 0.09 0.00 0.00 178.44 178.22 3hx0 h ASP 326 N 0.30 0.00 -0.97 -0.43 3.32 -0.58 -2.95 116.42 115.11 3hx0 h ASP 326 Ca 0.62 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 57.06 3hx0 h ASP 326 Cb 1.73 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.90 3hx0 h ASP 326 CO -0.27 0.00 -0.18 1.41 -1.72 0.00 0.00 179.24 178.48 3hx0 n HIS 327 N -3.04 2.98 -3.41 4.55 8.25 0.16 -4.98 115.22 119.73 3hx0 n HIS 327 Ca -0.01 -2.57 -0.40 0.00 -0.26 0.00 0.00 57.72 54.49 3hx0 n HIS 327 Cb 0.21 -0.71 -0.09 0.00 1.12 0.00 0.00 29.99 30.52 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 -4.79 5.17 0.08 1.59 1.01 -1.12 -5.02 121.20 118.13 3hx0 s ILE 328 Ca 0.55 0.24 -0.24 0.00 0.00 0.00 0.00 60.65 61.21 3hx0 s ILE 328 Cb 0.44 -3.77 -0.13 0.00 0.01 0.00 0.00 42.46 39.02 3hx0 s ILE 328 CO -0.02 0.01 0.54 -0.24 0.00 0.00 0.00 174.94 175.23 3hx0 n SER 329 N 5.36 -0.47 0.33 3.58 2.88 -1.26 -4.76 113.62 119.28 3hx0 n SER 329 Ca -0.09 0.80 0.20 0.00 -1.33 0.00 0.00 58.87 58.46 3hx0 n SER 329 Cb 0.50 -0.66 1.10 0.00 -0.75 0.00 0.00 64.21 64.40 3hx0 n SER 329 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3hx0 h GLU 330 N 1.35 0.00 -0.21 -1.46 4.11 -2.00 -2.57 114.58 113.80 3hx0 h GLU 330 Ca -0.27 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.08 3hx0 h GLU 330 Cb 1.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 3hx0 h GLU 330 CO 0.43 0.00 -0.16 0.66 0.07 0.00 0.00 179.01 180.01 3hx0 h SER 331 N 0.00 0.51 -0.83 3.06 4.64 -2.02 -3.34 113.55 115.56 3hx0 h SER 331 Ca 0.01 -0.45 0.13 0.00 -0.47 0.00 0.00 61.79 61.01 3hx0 h SER 331 Cb 0.17 -0.14 -0.14 0.00 -0.31 0.00 0.00 62.40 61.98 3hx0 h SER 331 CO -0.00 0.85 -0.32 0.52 -0.87 0.00 0.00 176.83 177.01 3hx0 n VAL 332 N -4.48 -0.43 -0.04 0.95 0.31 -0.97 -1.15 118.33 112.52 3hx0 n VAL 332 Ca -0.05 1.95 -0.08 0.00 -0.01 0.00 0.00 64.34 66.15 3hx0 n VAL 332 Cb 0.37 -2.58 -0.02 0.00 -0.91 0.00 0.00 33.84 30.70 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 -0.03 -0.51 5.55 0.11 -1.78 0.47 132.00 135.81 3hx0 h PRO 333 Ca 0.30 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.38 3hx0 h PRO 333 Cb 0.51 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 3hx0 h PRO 333 CO -0.83 -0.02 0.22 0.28 -0.21 0.00 0.00 178.00 177.45 3hx0 h VAL 334 N -0.03 1.21 0.04 3.15 2.07 -1.32 -0.05 116.25 121.32 3hx0 h VAL 334 Ca 0.11 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 3hx0 h VAL 334 Cb 0.19 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3hx0 h VAL 334 CO -0.23 0.24 -0.02 -0.07 0.02 0.00 0.00 177.57 177.50 3hx0 h LEU 335 N 0.68 -0.05 -1.41 2.57 3.38 -0.82 -1.87 115.31 117.80 3hx0 h LEU 335 Ca 0.17 -0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.17 3hx0 h LEU 335 Cb 0.16 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 3hx0 h LEU 335 CO -0.02 0.07 0.52 -0.08 0.09 0.00 0.00 178.44 179.02 3hx0 h GLU 336 N -0.16 0.59 0.02 1.13 4.81 0.13 -1.61 114.58 119.48 3hx0 h GLU 336 Ca -0.01 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3hx0 h GLU 336 Cb 0.14 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3hx0 h GLU 336 CO 0.01 0.39 -0.01 1.25 -0.73 0.00 0.00 179.01 179.92 3hx0 h LEU 337 N 0.60 -0.02 -1.22 1.64 5.85 -0.44 -2.94 115.31 118.78 3hx0 h LEU 337 Ca 0.39 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3hx0 h LEU 337 Cb 0.66 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3hx0 h LEU 337 CO -0.15 0.22 0.41 -0.26 -0.34 0.00 0.00 178.44 178.31 3hx0 h PHE 338 N -0.26 0.91 -0.29 1.25 0.05 -0.57 -2.67 116.94 115.37 3hx0 h PHE 338 Ca -0.00 -0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.74 3hx0 h PHE 338 Cb 0.25 -0.30 -0.02 0.00 2.00 0.00 0.00 35.95 37.88 3hx0 h PHE 338 CO 0.00 0.62 -0.03 0.77 -0.18 0.00 0.00 178.31 179.49 3hx0 h SER 339 N 0.96 0.43 0.00 2.17 0.02 -1.26 -2.20 113.55 113.66 3hx0 h SER 339 Ca 0.25 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3hx0 h SER 339 Cb -0.02 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.40 3hx0 h SER 339 CO -0.05 0.52 0.00 0.59 -1.14 0.00 0.00 176.83 176.75 3hx0 n ASN 340 N -4.28 0.00 -4.59 3.07 3.02 -1.00 -4.51 115.26 106.96 3hx0 n ASN 340 Ca 0.01 -0.41 -0.41 0.00 -0.03 0.00 0.00 54.58 53.74 3hx0 n ASN 340 Cb 0.25 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.35 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 -2.00 4.94 -0.02 2.41 1.01 -0.83 -4.96 121.20 121.75 3hx0 s ILE 341 Ca 0.08 0.78 -0.36 0.00 0.00 0.00 0.00 60.65 61.15 3hx0 s ILE 341 Cb 0.04 -4.00 -0.15 0.00 0.01 0.00 0.00 42.46 38.36 3hx0 s ILE 341 CO 0.06 -0.16 1.62 1.87 0.00 0.00 0.00 174.94 178.33 3hx0 n TRP 342 N 5.88 2.01 -0.37 3.97 -0.00 -1.26 -1.09 117.44 126.59 3hx0 n TRP 342 Ca -0.01 0.38 0.00 0.00 -0.00 0.00 0.00 57.50 57.86 3hx0 n TRP 342 Cb 0.49 -2.49 0.00 0.00 -0.00 0.00 0.00 31.31 29.31 3hx0 n TRP 342 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3hx0 n GLY 343 N 3.56 0.79 2.89 5.87 0.00 -1.26 -3.54 105.19 113.50 3hx0 n GLY 343 Ca 0.21 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 0.77 0.20 4.61 0.00 -0.25 -4.70 121.76 120.40 3hx0 s ALA 344 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.83 3hx0 s ALA 344 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.61 3hx0 s ALA 344 CO 0.00 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.08 3hx0 n GLY 345 N 4.24 3.92 0.28 0.00 0.00 -1.26 -4.61 105.19 107.77 3hx0 n GLY 345 Ca -0.21 -2.27 0.01 0.00 0.00 0.00 0.00 46.02 43.54 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 1.09 0.25 -0.78 2.61 2.02 -1.95 0.39 112.91 116.54 3hx0 h THR 346 Ca -0.17 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 3hx0 h THR 346 Cb 0.50 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 3hx0 h THR 346 CO 0.27 0.00 0.47 0.11 0.37 0.00 0.00 175.52 176.75 3hx0 h LYS 347 N -0.02 1.06 -0.10 6.66 1.79 -1.96 0.18 116.57 124.19 3hx0 h LYS 347 Ca 0.34 -0.10 -0.17 0.00 -2.18 0.00 0.00 60.65 58.55 3hx0 h LYS 347 Cb 0.54 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 3hx0 h LYS 347 CO -0.76 0.75 -0.65 1.15 -1.08 0.00 0.00 179.45 178.86 3hx0 h THR 348 N 1.07 1.37 -0.42 -0.16 2.02 -1.45 -1.69 112.91 113.65 3hx0 h THR 348 Ca 0.28 -2.02 -0.15 0.00 0.77 0.00 0.00 66.41 65.29 3hx0 h THR 348 Cb -0.04 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 3hx0 h THR 348 CO -0.05 0.61 -0.31 0.00 0.37 0.00 0.00 175.52 176.14 3hx0 h ALA 349 N 1.02 0.60 0.02 6.16 0.00 0.03 -2.41 119.26 124.68 3hx0 h ALA 349 Ca -0.02 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3hx0 h ALA 349 Cb 1.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3hx0 h ALA 349 CO 0.11 0.65 -0.01 0.37 0.00 0.00 0.00 179.25 180.37 3hx0 h GLN 350 N 0.77 -0.02 -0.04 0.00 4.15 -0.55 -2.40 115.11 117.02 3hx0 h GLN 350 Ca 0.08 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.53 3hx0 h GLN 350 Cb 0.90 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.55 3hx0 h GLN 350 CO 0.08 0.05 -0.17 1.98 -1.93 0.00 0.00 178.83 178.84 3hx0 h MET 351 N -0.09 -0.25 -0.57 1.69 4.05 -1.25 -1.59 114.93 116.92 3hx0 h MET 351 Ca -0.00 0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.51 3hx0 h MET 351 Cb 0.08 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.91 3hx0 h MET 351 CO 0.00 -0.17 0.38 -1.49 0.23 0.00 0.00 176.91 175.86 3hx0 h TRP 352 N -0.26 0.50 -0.47 1.39 6.55 -1.39 -0.83 115.95 121.44 3hx0 h TRP 352 Ca 0.07 0.01 -0.05 0.00 0.95 0.00 0.00 58.89 59.87 3hx0 h TRP 352 Cb 0.35 -0.16 -0.02 0.00 -0.86 0.00 0.00 29.16 28.47 3hx0 h TRP 352 CO -0.24 0.26 0.09 -0.92 -1.05 0.00 0.00 178.44 176.57 3hx0 h TYR 353 N 0.49 0.82 -0.84 0.49 -0.00 -0.82 -2.43 116.97 114.68 3hx0 h TYR 353 Ca 0.25 -0.11 0.00 0.00 -0.00 0.00 0.00 58.73 58.87 3hx0 h TYR 353 Cb 0.36 -0.23 -0.04 0.00 -0.00 0.00 0.00 36.73 36.82 3hx0 h TYR 353 CO -0.00 0.76 0.53 0.37 -0.00 0.00 0.00 178.16 179.82 3hx0 h GLN 354 N 0.65 1.13 0.00 1.82 -0.00 -0.26 0.19 115.11 118.63 3hx0 h GLN 354 Ca 0.14 -0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.71 3hx0 h GLN 354 Cb 0.37 -0.25 0.00 0.00 0.00 0.00 0.00 27.48 27.61 3hx0 h GLN 354 CO 0.01 0.77 0.00 1.04 0.00 0.00 0.00 178.83 180.65 3hx0 n GLN 355 N -4.39 0.08 -0.01 1.69 6.02 -0.77 -4.82 117.38 115.19 3hx0 n GLN 355 Ca 0.09 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 3hx0 n GLN 355 Cb 0.04 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.80 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 -0.49 0.23 3.73 1.08 0.00 0.05 -5.06 105.19 104.74 3hx0 n GLY 356 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 2.40 0.00 1.61 0.99 -0.94 -4.93 117.46 114.59 3hx0 n PHE 357 Ca 0.00 0.46 0.00 0.00 -0.00 0.00 0.00 57.45 57.91 3hx0 n PHE 357 Cb 0.00 -2.41 0.00 0.00 -1.00 0.00 0.00 39.48 36.07 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 -0.23 2.15 -3.84 -1.08 5.12 -1.26 -4.47 116.66 113.06 3hx0 n ARG 358 Ca 0.07 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.88 3hx0 n ARG 358 Cb 0.41 -0.21 -0.08 0.00 -1.16 0.00 0.00 32.46 31.42 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 -0.24 0.02 0.63 0.55 1.04 -1.26 -4.84 113.70 109.59 3hx0 s SER 359 Ca 0.00 -0.37 0.27 0.00 0.48 0.00 0.00 55.95 56.34 3hx0 s SER 359 Cb 0.00 0.30 1.42 0.00 0.10 0.00 0.00 66.02 67.83 3hx0 s SER 359 CO 0.00 -0.57 1.82 -0.07 0.98 0.00 0.00 173.24 175.39 3hx0 h LEU 360 N 3.39 0.00 0.07 2.42 3.38 -1.96 0.26 115.31 122.87 3hx0 h LEU 360 Ca -0.32 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 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 0.48 0.00 -0.04 -0.08 0.09 0.00 0.00 178.44 178.90 3hx0 h GLU 361 N 0.00 -0.09 -0.38 1.13 4.57 -1.99 -1.12 114.58 116.70 3hx0 h GLU 361 Ca 0.12 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 3hx0 h GLU 361 Cb 1.10 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 3hx0 h GLU 361 CO -0.00 0.09 0.19 -0.44 -1.18 0.00 0.00 179.01 177.66 3hx0 h ASP 362 N -0.26 0.49 -0.28 1.04 3.45 -0.90 -1.90 116.42 118.06 3hx0 h ASP 362 Ca -0.01 -0.12 0.03 0.00 0.43 0.00 0.00 57.03 57.36 3hx0 h ASP 362 Cb 0.22 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 3hx0 h ASP 362 CO 0.02 0.48 0.19 0.40 -1.57 0.00 0.00 179.24 178.75 3hx0 h ILE 363 N 0.48 1.00 -0.01 0.35 1.08 -1.40 0.34 117.51 119.35 3hx0 h ILE 363 Ca 0.13 -0.09 -0.18 0.00 -0.39 0.00 0.00 64.86 64.33 3hx0 h ILE 363 Cb 0.11 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 34.56 3hx0 h ILE 363 CO -0.02 0.05 -0.79 -0.09 -0.69 0.00 0.00 178.15 176.61 3hx0 h ARG 364 N 0.26 0.16 0.00 2.37 2.43 -0.57 -3.30 114.38 115.73 3hx0 h ARG 364 Ca 0.12 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 3hx0 h ARG 364 Cb 0.15 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3hx0 h ARG 364 CO -0.02 0.87 -1.99 -1.13 -1.51 0.00 0.00 179.97 176.18 3hx0 n SER 365 N -3.70 0.42 -0.04 -3.80 3.41 -0.48 -4.85 113.62 104.59 3hx0 n SER 365 Ca -0.03 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.52 3hx0 n SER 365 Cb 0.75 1.71 -0.03 0.00 -0.26 0.00 0.00 64.21 66.39 3hx0 n SER 365 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hx0 n GLN 366 N -2.30 0.16 -1.32 4.33 6.02 0.11 -5.07 117.38 119.30 3hx0 n GLN 366 Ca -0.09 0.06 -0.35 0.00 -0.01 0.00 0.00 57.00 56.61 3hx0 n GLN 366 Cb 0.65 -0.87 0.10 0.00 1.02 0.00 0.00 30.24 31.14 3hx0 n GLN 366 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hx0 n ALA 367 N -3.13 0.25 -3.11 -1.58 0.00 -1.24 -4.95 120.51 106.74 3hx0 n ALA 367 Ca -0.13 -0.21 -0.45 0.00 0.00 0.00 0.00 53.44 52.64 3hx0 n ALA 367 Cb 0.61 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.79 3hx0 n ALA 367 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hx0 s SER 368 N -1.82 6.61 0.05 0.00 1.04 -1.26 -4.93 113.70 113.40 3hx0 s SER 368 Ca 0.76 -2.21 -0.23 0.00 0.48 0.00 0.00 55.95 54.75 3hx0 s SER 368 Cb -0.33 -2.31 -0.06 0.00 0.10 0.00 0.00 66.02 63.42 3hx0 s SER 368 CO 0.48 -0.88 0.69 -0.76 0.98 0.00 0.00 173.24 173.75 3hx0 s LEU 369 N 1.69 4.48 0.93 2.42 1.43 -1.26 -5.05 118.68 123.31 3hx0 s LEU 369 Ca 0.24 1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 54.59 3hx0 s LEU 369 Cb -0.10 -3.10 0.15 0.00 0.03 0.00 0.00 46.19 43.17 3hx0 s LEU 369 CO -0.07 0.11 1.09 0.42 0.23 0.00 0.00 176.35 178.13 3hx0 s THR 370 N -0.43 2.53 0.26 5.49 -4.23 -1.26 -4.71 115.64 113.30 3hx0 s THR 370 Ca 0.34 0.17 -0.01 0.00 -1.18 0.00 0.00 61.69 61.02 3hx0 s THR 370 Cb -0.20 -2.53 0.24 0.00 1.34 0.00 0.00 72.50 71.35 3hx0 s THR 370 CO 0.21 -0.23 1.76 0.00 -0.54 0.00 0.00 174.62 175.83 3hx0 h THR 371 N -1.72 0.73 0.93 3.99 1.03 -2.00 -1.10 112.91 114.79 3hx0 h THR 371 Ca -0.50 -0.22 -0.05 0.00 -0.01 0.00 0.00 66.41 65.64 3hx0 h THR 371 Cb 1.28 0.05 0.01 0.00 -1.07 0.00 0.00 68.15 68.42 3hx0 h THR 371 CO 0.52 0.12 -0.45 1.56 -0.01 0.00 0.00 175.52 177.26 3hx0 h GLN 372 N 0.63 -1.21 -0.93 0.00 4.20 -1.90 -2.79 115.11 113.11 3hx0 h GLN 372 Ca 0.46 0.08 0.22 0.00 0.06 0.00 0.00 58.65 59.47 3hx0 h GLN 372 Cb 0.65 0.27 -0.07 0.00 0.30 0.00 0.00 27.48 28.64 3hx0 h GLN 372 CO -0.36 -0.80 0.61 1.96 -0.67 0.00 0.00 178.83 179.57 3hx0 h GLN 373 N -1.29 0.38 -0.72 1.46 4.20 -1.51 0.13 115.11 117.76 3hx0 h GLN 373 Ca -0.13 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 3hx0 h GLN 373 Cb 0.96 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.62 3hx0 h GLN 373 CO 0.21 0.25 0.44 0.00 -0.67 0.00 0.00 178.83 179.06 3hx0 h ALA 374 N 1.61 0.92 -0.20 3.87 0.00 -0.97 0.10 119.26 124.58 3hx0 h ALA 374 Ca 0.49 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 3hx0 h ALA 374 Cb 1.25 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3hx0 h ALA 374 CO -0.19 0.38 -0.25 0.82 0.00 0.00 0.00 179.25 180.01 3hx0 h ILE 375 N 0.98 1.33 -0.71 0.00 2.04 -0.56 -1.21 117.51 119.39 3hx0 h ILE 375 Ca 0.26 -1.45 0.04 0.00 1.00 0.00 0.00 64.86 64.71 3hx0 h ILE 375 Cb -0.04 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 3hx0 h ILE 375 CO -0.05 0.44 0.47 1.23 0.00 0.00 0.00 178.15 180.24 3hx0 h GLY 376 N 0.20 0.98 1.26 5.37 0.00 -0.81 -1.64 103.07 108.43 3hx0 h GLY 376 Ca 0.03 -0.34 -0.22 0.00 0.00 0.00 0.00 47.33 46.80 3hx0 h GLY 376 CO 0.06 0.29 -0.78 -2.00 0.00 0.00 0.00 176.54 174.11 3hx0 h LEU 377 N 0.85 0.87 0.04 3.11 5.85 -0.71 -2.35 115.31 122.97 3hx0 h LEU 377 Ca 0.29 -0.57 0.02 0.00 0.84 0.00 0.00 57.88 58.46 3hx0 h LEU 377 Cb 0.08 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 3hx0 h LEU 377 CO -0.08 1.36 -0.18 0.50 -0.34 0.00 0.00 178.44 179.70 3hx0 h LYS 378 N 0.49 -0.30 -1.05 1.25 3.64 -0.33 -2.05 116.57 118.22 3hx0 h LYS 378 Ca -0.05 0.02 -0.43 0.00 -1.27 0.00 0.00 60.65 58.92 3hx0 h LYS 378 Cb 1.40 0.07 -0.23 0.00 -0.41 0.00 0.00 32.23 33.06 3hx0 h LYS 378 CO 0.16 -0.20 0.54 0.72 -2.27 0.00 0.00 179.45 178.40 3hx0 n HIS 379 N -5.31 2.39 -0.14 1.91 8.25 -0.72 -4.68 115.22 116.93 3hx0 n HIS 379 Ca -0.06 -1.76 -0.05 0.00 -0.26 0.00 0.00 57.72 55.59 3hx0 n HIS 379 Cb 0.22 -0.89 0.01 0.00 1.12 0.00 0.00 29.99 30.46 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 0.99 -0.65 0.74 4.41 3.20 -0.79 -1.72 116.97 123.14 3hx0 h TYR 380 Ca 0.49 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.37 3hx0 h TYR 380 Cb 2.09 0.35 0.01 0.00 1.54 0.00 0.00 36.73 40.72 3hx0 h TYR 380 CO 1.21 -0.32 -0.35 0.77 -1.64 0.00 0.00 178.16 177.82 3hx0 h SER 381 N -0.16 -0.84 -0.75 -2.11 0.02 -1.85 -3.06 113.55 104.81 3hx0 h SER 381 Ca 0.21 0.02 0.14 0.00 -0.84 0.00 0.00 61.79 61.32 3hx0 h SER 381 Cb 0.48 0.22 -0.10 0.00 0.14 0.00 0.00 62.40 63.15 3hx0 h SER 381 CO -0.54 -0.57 0.29 0.44 -1.14 0.00 0.00 176.83 175.31 3hx0 h ASP 382 N -1.04 0.26 0.42 3.07 3.45 -1.86 0.01 116.42 120.73 3hx0 h ASP 382 Ca -0.10 0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.47 3hx0 h ASP 382 Cb 0.77 0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.63 3hx0 h ASP 382 CO 0.17 0.09 0.00 -0.26 -1.57 0.00 0.00 179.24 177.67 3hx0 h PHE 383 N 0.43 0.00 0.00 4.55 0.04 -1.30 -1.86 116.94 118.80 3hx0 h PHE 383 Ca 0.41 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 61.06 3hx0 h PHE 383 Cb 0.63 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.76 3hx0 h PHE 383 CO -0.17 0.00 -0.58 -0.07 -0.60 0.00 0.00 178.31 176.89 3hx0 h LEU 384 N 0.00 0.00 -9.29 1.54 3.38 -0.88 -3.44 115.31 106.62 3hx0 h LEU 384 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3hx0 h LEU 384 Cb 0.21 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.87 3hx0 h LEU 384 CO 0.00 0.58 -0.16 -1.61 0.09 0.00 0.00 178.44 177.34 3hx0 s GLU 385 N -3.22 4.30 0.80 1.13 0.41 -0.70 -5.08 118.70 116.34 3hx0 s GLU 385 Ca 0.01 0.38 -0.12 0.00 -0.41 0.00 0.00 54.97 54.84 3hx0 s GLU 385 Cb 0.10 -3.46 0.07 0.00 -1.78 0.00 0.00 34.13 29.06 3hx0 s GLU 385 CO 0.74 0.12 1.15 1.03 -0.49 0.00 0.00 175.26 177.80 3hx0 s ARG 386 N 0.78 2.07 0.24 1.61 0.52 -1.26 -4.99 118.95 117.92 3hx0 s ARG 386 Ca 0.24 0.27 0.12 0.00 -0.52 0.00 0.00 55.73 55.84 3hx0 s ARG 386 Cb -0.15 -1.95 -0.05 0.00 0.52 0.00 0.00 34.95 33.33 3hx0 s ARG 386 CO 0.09 -1.55 -0.20 0.00 0.02 0.00 0.00 175.30 173.66 3hx0 s MET 387 N -5.44 1.66 0.54 3.54 0.23 0.08 -4.92 119.30 114.99 3hx0 s MET 387 Ca 0.61 -1.63 -0.16 0.00 -1.03 0.00 0.00 55.69 53.48 3hx0 s MET 387 Cb -0.12 -1.84 -0.06 0.00 -1.53 0.00 0.00 34.83 31.28 3hx0 s MET 387 CO 0.51 0.36 1.01 -1.25 -2.03 0.00 0.00 175.02 173.62 3hx0 s PRO 388 N -3.14 3.75 0.54 3.16 0.04 -1.26 0.34 135.00 138.43 3hx0 s PRO 388 Ca 0.26 1.01 0.27 0.00 0.04 0.00 0.00 61.00 62.58 3hx0 s PRO 388 Cb -0.06 -2.10 1.43 0.00 0.04 0.00 0.00 34.50 33.81 3hx0 s PRO 388 CO 0.13 -0.44 1.97 -0.09 0.04 0.00 0.00 177.00 178.61 3hx0 h ARG 389 N 0.70 0.00 0.35 4.56 2.43 -1.56 -0.74 114.38 120.12 3hx0 h ARG 389 Ca -0.47 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3hx0 h ARG 389 Cb 1.19 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 3hx0 h ARG 389 CO 0.60 0.00 -0.37 0.93 -1.51 0.00 0.00 179.97 179.62 3hx0 h GLU 390 N 0.00 -0.72 -0.08 0.20 5.08 -1.91 0.02 114.58 117.17 3hx0 h GLU 390 Ca 0.28 0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.59 3hx0 h GLU 390 Cb 1.17 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 3hx0 h GLU 390 CO -0.00 -0.48 -0.42 1.49 -1.00 0.00 0.00 179.01 178.60 3hx0 h GLU 391 N -0.75 0.17 -0.51 2.33 4.81 -1.66 -2.39 114.58 116.57 3hx0 h GLU 391 Ca -0.02 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3hx0 h GLU 391 Cb 0.68 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 3hx0 h GLU 391 CO -0.08 0.56 0.33 0.00 -0.73 0.00 0.00 179.01 179.09 3hx0 h ALA 392 N 1.43 1.62 0.01 2.92 0.00 -0.64 -1.77 119.26 122.83 3hx0 h ALA 392 Ca 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hx0 h ALA 392 Cb 0.80 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hx0 h ALA 392 CO 0.06 0.35 -0.01 1.15 0.00 0.00 0.00 179.25 180.80 3hx0 h THR 393 N 0.70 1.39 -0.75 0.00 2.02 -0.50 -2.80 112.91 112.96 3hx0 h THR 393 Ca 0.19 -1.25 0.13 0.00 0.77 0.00 0.00 66.41 66.24 3hx0 h THR 393 Cb -0.06 2.23 -0.05 0.00 -1.74 0.00 0.00 68.15 68.52 3hx0 h THR 393 CO -0.04 0.32 0.50 -0.33 0.37 0.00 0.00 175.52 176.34 3hx0 h GLU 394 N -0.56 0.51 -0.23 6.66 5.08 -1.21 0.22 114.58 125.04 3hx0 h GLU 394 Ca -0.00 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3hx0 h GLU 394 Cb 0.54 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3hx0 h GLU 394 CO 0.00 0.33 -0.07 0.82 -1.00 0.00 0.00 179.01 179.10 3hx0 h ILE 395 N 0.52 1.29 -0.54 3.13 2.04 -1.32 -1.52 117.51 121.11 3hx0 h ILE 395 Ca 0.36 -1.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.06 3hx0 h ILE 395 Cb 0.69 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 3hx0 h ILE 395 CO -0.13 0.33 0.02 -0.08 0.00 0.00 0.00 178.15 178.30 3hx0 h GLU 396 N 0.18 0.94 -0.49 2.37 4.22 -0.99 -2.38 114.58 118.42 3hx0 h GLU 396 Ca 0.06 -0.29 0.07 0.00 0.08 0.00 0.00 59.36 59.28 3hx0 h GLU 396 Cb 0.53 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 3hx0 h GLU 396 CO 0.02 0.94 0.16 1.96 -2.18 0.00 0.00 179.01 179.92 3hx0 h GLN 397 N 0.82 0.32 0.14 1.92 1.08 -0.53 0.97 115.11 119.82 3hx0 h GLN 397 Ca 0.16 -0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.35 3hx0 h GLN 397 Cb 0.50 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.84 3hx0 h GLN 397 CO 0.02 0.21 -0.22 1.15 -0.95 0.00 0.00 178.83 179.04 3hx0 h THR 398 N 0.33 0.52 -0.29 -0.54 2.02 -0.99 -0.06 112.91 113.89 3hx0 h THR 398 Ca 0.24 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.47 3hx0 h THR 398 Cb 0.27 0.52 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 3hx0 h THR 398 CO -0.26 0.00 -0.00 0.58 0.37 0.00 0.00 175.52 176.21 3hx0 h VAL 399 N -0.42 0.79 0.34 3.16 2.07 -0.91 -1.18 116.25 120.09 3hx0 h VAL 399 Ca 0.02 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3hx0 h VAL 399 Cb 0.43 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3hx0 h VAL 399 CO -0.11 0.01 -0.32 -0.61 0.02 0.00 0.00 177.57 176.57 3hx0 h GLN 400 N 0.08 -0.63 -0.46 1.57 4.15 -0.48 -1.05 115.11 118.30 3hx0 h GLN 400 Ca 0.14 0.04 0.09 0.00 0.77 0.00 0.00 58.65 59.69 3hx0 h GLN 400 Cb 0.18 0.14 -0.10 0.00 0.21 0.00 0.00 27.48 27.92 3hx0 h GLN 400 CO -0.24 -0.42 -0.25 0.87 -1.93 0.00 0.00 178.83 176.87 3hx0 h LYS 401 N -0.65 -0.15 -0.05 1.69 1.57 -0.94 0.56 116.57 118.60 3hx0 h LYS 401 Ca -0.04 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3hx0 h LYS 401 Cb 0.56 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 3hx0 h LYS 401 CO -0.03 -0.10 0.06 0.00 -0.57 0.00 0.00 179.45 178.82 3hx0 h ALA 402 N 1.09 1.59 0.00 3.86 0.00 -1.13 -0.35 119.26 124.32 3hx0 h ALA 402 Ca 0.21 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3hx0 h ALA 402 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3hx0 h ALA 402 CO -0.55 -0.09 -0.49 0.00 0.00 0.00 0.00 179.25 178.12 3hx0 h ALA 403 N 1.92 0.07 0.00 0.00 0.00 0.85 -3.33 119.26 118.77 3hx0 h ALA 403 Ca 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3hx0 h ALA 403 Cb 0.16 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hx0 h ALA 403 CO -0.00 0.35 0.12 1.96 0.00 0.00 0.00 179.25 181.68 3hx0 h GLN 404 N -1.00 0.00 0.18 0.00 4.20 0.13 -2.85 115.11 115.77 3hx0 h GLN 404 Ca -0.09 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.63 3hx0 h GLN 404 Cb 0.67 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.41 3hx0 h GLN 404 CO -0.05 0.00 -0.49 0.00 -0.67 0.00 0.00 178.83 177.61 3hx0 h ALA 405 N 1.70 -1.00 -0.55 3.87 0.00 -1.17 -1.27 119.26 120.84 3hx0 h ALA 405 Ca 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 3hx0 h ALA 405 Cb 0.25 0.84 -0.12 0.00 0.00 0.00 0.00 17.79 18.77 3hx0 h ALA 405 CO 0.00 -1.11 0.25 1.97 0.00 0.00 0.00 179.25 180.37 3hx0 n PHE 406 N -5.28 1.78 0.00 0.00 -1.74 -1.08 -4.62 117.46 106.52 3hx0 n PHE 406 Ca -0.09 -1.01 0.00 0.00 -0.56 0.00 0.00 57.45 55.79 3hx0 n PHE 406 Cb 0.39 -0.57 0.00 0.00 1.52 0.00 0.00 39.48 40.82 3hx0 n PHE 406 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 3hx0 n ASN 407 N -0.16 0.00 0.17 5.98 2.85 -0.84 -5.01 115.26 118.24 3hx0 n ASN 407 Ca 0.31 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.89 3hx0 n ASN 407 Cb 1.12 0.00 0.57 0.00 1.24 0.00 0.00 39.78 42.71 3hx0 n ASN 407 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 3hx0 h SER 408 N 0.00 0.00 0.00 1.20 4.64 -1.51 -2.50 113.55 115.39 3hx0 h SER 408 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hx0 h SER 408 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hx0 h SER 408 CO 0.00 0.00 -0.00 1.23 -0.87 0.00 0.00 176.83 177.19 3hx0 h GLY 409 N 0.00 -0.01 -3.71 -0.77 0.00 -1.95 -3.46 103.07 93.17 3hx0 h GLY 409 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 3hx0 h GLY 409 CO 0.00 -0.00 -0.41 1.04 0.00 0.00 0.00 176.54 177.16 3hx0 n LEU 410 N -4.87 -1.00 -4.41 3.11 4.77 -0.94 -4.66 117.00 108.99 3hx0 n LEU 410 Ca -0.08 0.83 -0.33 0.00 -0.03 0.00 0.00 56.01 56.40 3hx0 n LEU 410 Cb 0.24 -0.71 -0.14 0.00 -2.33 0.00 0.00 43.42 40.48 3hx0 n LEU 410 CO 0.33 -2.28 -0.47 -0.22 -1.33 0.00 0.00 177.39 173.42 3hx0 s LEU 411 N 2.30 2.61 -0.05 2.23 2.96 0.11 -4.82 118.68 124.01 3hx0 s LEU 411 Ca 0.48 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 3hx0 s LEU 411 Cb -0.68 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 44.48 3hx0 s LEU 411 CO 0.42 0.28 -0.14 0.00 -1.32 0.00 0.00 176.35 175.60 3hx0 s VAL 413 N 0.33 0.05 -0.23 0.00 1.01 -0.84 -4.97 120.40 115.75 3hx0 s VAL 413 Ca -0.08 0.18 -0.26 0.00 0.00 0.00 0.00 61.98 61.81 3hx0 s VAL 413 Cb -0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 36.38 36.07 3hx0 s VAL 413 CO 0.03 0.13 0.90 0.00 0.00 0.00 0.00 175.10 176.15 3hx0 s ALA 414 N 1.17 3.65 0.00 5.51 0.00 -1.26 -0.84 121.76 129.98 3hx0 s ALA 414 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 51.88 3hx0 s ALA 414 Cb -0.13 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.62 3hx0 s ALA 414 CO -0.02 -0.93 0.00 0.00 0.00 0.00 0.00 175.76 174.80 3hx0 n GLY 416 N 5.00 0.92 0.42 0.00 0.00 0.62 -2.12 105.19 110.03 3hx0 n GLY 416 Ca 0.00 -0.70 0.24 0.00 0.00 0.00 0.00 46.02 45.56 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 3.69 0.38 0.63 1.61 4.64 -1.86 -1.88 113.55 120.76 3hx0 h SER 417 Ca 0.00 0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 3hx0 h SER 417 Cb 0.00 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3hx0 h SER 417 CO 0.00 0.07 -0.46 0.22 -0.87 0.00 0.00 176.83 175.80 3hx0 h TYR 418 N 0.33 -1.23 0.00 4.77 3.20 -1.76 -2.43 116.97 119.85 3hx0 h TYR 418 Ca 0.58 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.43 3hx0 h TYR 418 Cb 1.59 0.45 -0.00 0.00 1.54 0.00 0.00 36.73 40.31 3hx0 h TYR 418 CO -0.00 -0.66 -0.06 -0.09 -1.64 0.00 0.00 178.16 175.70 3hx0 h ARG 419 N -1.05 0.00 -0.13 1.82 2.43 -0.81 0.88 114.38 117.52 3hx0 h ARG 419 Ca -0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3hx0 h ARG 419 Cb 0.87 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 3hx0 h ARG 419 CO 0.04 0.06 0.00 0.54 -1.51 0.00 0.00 179.97 179.10 3hx0 n ARG 420 N -4.07 0.78 -3.62 0.20 1.74 -0.96 -4.71 116.66 106.03 3hx0 n ARG 420 Ca -0.03 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.84 3hx0 n ARG 420 Cb 0.15 -1.06 0.06 0.00 -1.02 0.00 0.00 32.46 30.59 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 0.26 -0.38 3.87 -0.13 0.00 0.30 -4.36 105.19 104.75 3hx0 n GLY 421 Ca 0.00 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -5.90 3.82 0.09 1.61 -0.14 -0.95 -5.01 119.74 113.25 3hx0 s LYS 422 Ca 0.19 0.33 -0.28 0.00 -1.36 0.00 0.00 55.97 54.85 3hx0 s LYS 422 Cb -0.09 -2.59 -0.13 0.00 -1.68 0.00 0.00 37.83 33.34 3hx0 s LYS 422 CO 0.77 0.26 1.66 0.00 -0.76 0.00 0.00 175.35 177.28 3hx0 h ALA 423 N 2.33 -0.47 -1.61 5.17 0.00 -1.94 -3.44 119.26 119.30 3hx0 h ALA 423 Ca -0.47 -0.08 -0.58 0.00 0.00 0.00 0.00 54.91 53.78 3hx0 h ALA 423 Cb 1.17 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 19.16 3hx0 h ALA 423 CO 0.68 -0.79 -0.52 0.95 0.00 0.00 0.00 179.25 179.57 3hx0 s THR 424 N -6.09 2.25 0.00 0.00 -4.23 -1.26 -1.52 115.64 104.79 3hx0 s THR 424 Ca -0.16 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 58.61 3hx0 s THR 424 Cb 0.06 -3.00 -0.00 0.00 1.34 0.00 0.00 72.50 70.90 3hx0 s THR 424 CO 0.64 0.00 -0.03 0.00 -0.54 0.00 0.00 174.62 174.70 3hx0 h GLY 426 N 5.90 0.43 -1.69 0.00 0.00 -1.94 0.26 103.07 106.03 3hx0 h GLY 426 Ca -0.27 -0.72 -0.40 0.00 0.00 0.00 0.00 47.33 45.94 3hx0 h GLY 426 CO 0.49 0.63 -0.36 2.09 0.00 0.00 0.00 176.54 179.40 3hx0 n ASP 427 N -4.27 -0.85 -4.14 0.19 3.85 -1.26 -4.54 116.55 105.51 3hx0 n ASP 427 Ca -0.10 -3.01 -0.33 0.00 -0.71 0.00 0.00 54.79 50.64 3hx0 n ASP 427 Cb 0.63 1.83 -0.15 0.00 -1.35 0.00 0.00 41.12 42.08 3hx0 n ASP 427 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3hx0 s VAL 428 N -3.15 2.41 -0.42 2.12 1.01 -0.99 -4.84 120.40 116.53 3hx0 s VAL 428 Ca 0.35 -1.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 3hx0 s VAL 428 Cb 0.01 -2.19 0.03 0.00 0.00 0.00 0.00 36.38 34.23 3hx0 s VAL 428 CO 0.25 0.27 0.31 -1.81 0.00 0.00 0.00 175.10 174.12 3hx0 s ASP 429 N 1.26 6.07 -0.18 3.32 1.01 -1.26 -1.87 116.67 125.01 3hx0 s ASP 429 Ca -0.00 -1.00 -0.08 0.00 0.71 0.00 0.00 52.55 52.18 3hx0 s ASP 429 Cb -0.16 -2.15 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 3hx0 s ASP 429 CO -0.08 -0.48 0.07 -0.69 0.21 0.00 0.00 175.17 174.20 3hx0 s VAL 430 N 1.66 4.84 -0.29 -1.27 1.01 0.21 0.26 120.40 126.81 3hx0 s VAL 430 Ca 0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 3hx0 s VAL 430 Cb -0.20 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3hx0 s VAL 430 CO 0.09 0.46 0.09 -0.22 0.00 0.00 0.00 175.10 175.52 3hx0 s LEU 431 N 0.38 3.84 -0.09 3.92 0.20 -0.02 -2.08 118.68 124.83 3hx0 s LEU 431 Ca 0.04 -0.62 -0.01 0.00 0.69 0.00 0.00 54.13 54.22 3hx0 s LEU 431 Cb -0.12 -1.91 -0.03 0.00 -0.43 0.00 0.00 46.19 43.70 3hx0 s LEU 431 CO -0.00 -0.18 -0.02 -0.63 -0.29 0.00 0.00 176.35 175.24 3hx0 s ILE 432 N 1.53 4.12 -0.08 6.68 1.01 -0.02 -1.99 121.20 132.46 3hx0 s ILE 432 Ca 0.03 -0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 3hx0 s ILE 432 Cb -0.17 -2.73 0.10 0.00 0.01 0.00 0.00 42.46 39.67 3hx0 s ILE 432 CO 0.03 0.59 0.86 0.28 0.00 0.00 0.00 174.94 176.70 3hx0 s THR 433 N -0.70 0.00 -0.14 2.92 -1.32 -0.72 -0.89 115.64 114.79 3hx0 s THR 433 Ca 0.11 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.58 3hx0 s THR 433 Cb -0.12 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.86 3hx0 s THR 433 CO 0.02 0.00 -0.11 -2.28 -2.21 0.00 0.00 174.62 170.04 3hx0 s HIS 434 N -1.71 2.86 0.36 9.09 2.46 -1.26 0.06 115.29 127.14 3hx0 s HIS 434 Ca -0.03 -0.62 0.14 0.00 0.47 0.00 0.00 55.06 55.02 3hx0 s HIS 434 Cb -0.00 -1.88 0.98 0.00 -0.13 0.00 0.00 32.58 31.55 3hx0 s HIS 434 CO 0.01 -0.21 1.76 -1.35 -2.47 0.00 0.00 174.74 172.48 3hx0 h PRO 435 N 6.83 0.49 0.48 2.88 0.11 -1.96 -2.92 132.00 137.91 3hx0 h PRO 435 Ca -0.28 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 3hx0 h PRO 435 Cb 1.20 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3hx0 h PRO 435 CO 0.57 0.32 -0.50 0.38 -0.21 0.00 0.00 178.00 178.57 3hx0 h ASP 436 N 0.50 -1.38 0.00 -2.05 2.03 -1.96 -3.47 116.42 110.10 3hx0 h ASP 436 Ca 0.60 0.11 0.00 0.00 -0.73 0.00 0.00 57.03 57.02 3hx0 h ASP 436 Cb 1.32 0.46 0.00 0.00 -0.83 0.00 0.00 39.33 40.28 3hx0 h ASP 436 CO -0.36 -0.66 0.00 0.61 -1.03 0.00 0.00 179.24 177.80 3hx0 n GLY 437 N -1.56 -0.17 0.00 7.15 0.00 -1.10 -4.97 105.19 104.53 3hx0 n GLY 437 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.00 0.00 1.61 -4.01 -1.26 -4.70 116.66 108.30 3hx0 n ARG 438 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 3hx0 n ARG 438 Cb 0.00 -0.34 0.00 0.00 -3.04 0.00 0.00 32.46 29.08 3hx0 n ARG 438 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 3hx0 n SER 439 N -0.99 0.00 0.10 2.89 3.41 -1.26 -1.06 113.62 116.72 3hx0 n SER 439 Ca 0.00 0.23 0.13 0.00 -0.26 0.00 0.00 58.87 58.97 3hx0 n SER 439 Cb 0.00 -0.23 0.34 0.00 -0.26 0.00 0.00 64.21 64.06 3hx0 n SER 439 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 3hx0 h HIS 440 N 0.00 0.00 -3.62 7.33 2.07 -1.89 -3.47 115.15 115.57 3hx0 h HIS 440 Ca 0.00 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 56.96 3hx0 h HIS 440 Cb 0.12 0.00 0.13 0.00 2.57 0.00 0.00 27.41 30.23 3hx0 h HIS 440 CO 0.00 0.00 0.50 0.54 -3.07 0.00 0.00 177.93 175.90 3hx0 n ARG 441 N -2.29 1.89 -3.87 5.12 5.12 -0.22 -3.70 116.66 118.71 3hx0 n ARG 441 Ca 0.05 0.67 -0.27 0.00 -1.93 0.00 0.00 57.85 56.37 3hx0 n ARG 441 Cb 0.44 -2.41 -0.02 0.00 -1.16 0.00 0.00 32.46 29.31 3hx0 n ARG 441 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hx0 n GLY 442 N 0.81 -0.37 0.31 -0.13 0.00 -1.26 -4.82 105.19 99.73 3hx0 n GLY 442 Ca 0.07 0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.36 3hx0 n GLY 442 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3hx0 n ILE 443 N -3.58 0.00 0.02 -0.61 -5.35 -1.24 -4.47 119.36 104.13 3hx0 n ILE 443 Ca -0.13 -0.24 -0.12 0.00 -0.27 0.00 0.00 62.75 61.99 3hx0 n ILE 443 Cb 0.41 1.16 -0.08 0.00 -1.74 0.00 0.00 39.64 39.39 3hx0 n ILE 443 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 3hx0 h PHE 444 N 1.53 -0.02 -1.17 4.28 0.04 -1.88 -0.42 116.94 119.31 3hx0 h PHE 444 Ca 0.00 -0.00 0.33 0.00 2.80 0.00 0.00 57.97 61.10 3hx0 h PHE 444 Cb 0.59 0.01 -0.09 0.00 2.20 0.00 0.00 35.95 38.65 3hx0 h PHE 444 CO 0.00 0.20 0.78 1.03 -0.60 0.00 0.00 178.31 179.72 3hx0 h SER 445 N -0.23 0.28 0.00 2.17 0.87 -1.98 0.20 113.55 114.87 3hx0 h SER 445 Ca -0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3hx0 h SER 445 Cb 0.22 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 3hx0 h SER 445 CO 0.00 -0.00 -0.04 0.03 -0.53 0.00 0.00 176.83 176.29 3hx0 h ARG 446 N 0.22 0.00 -0.50 2.24 3.08 -1.76 -3.34 114.38 114.31 3hx0 h ARG 446 Ca 0.65 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.80 3hx0 h ARG 446 Cb 2.01 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.96 3hx0 h ARG 446 CO -0.25 0.00 -0.20 1.25 -1.07 0.00 0.00 179.97 179.70 3hx0 h LEU 447 N -0.60 -0.69 0.00 3.04 5.85 -0.62 0.33 115.31 122.62 3hx0 h LEU 447 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3hx0 h LEU 447 Cb 0.04 0.39 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3hx0 h LEU 447 CO 0.00 -0.23 0.00 0.18 -0.34 0.00 0.00 178.44 178.05 3hx0 n LEU 448 N -5.40 0.00 -0.08 2.25 4.77 0.68 -1.80 117.00 117.41 3hx0 n LEU 448 Ca 0.04 0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 56.02 3hx0 n LEU 448 Cb 0.31 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.21 3hx0 n LEU 448 CO 0.08 -0.09 -1.05 0.47 -1.33 0.00 0.00 177.39 175.47 3hx0 n ASP 449 N -1.11 2.62 -0.25 -1.43 10.43 0.97 -3.99 116.55 123.80 3hx0 n ASP 449 Ca 0.05 -0.09 -0.07 0.00 2.57 0.00 0.00 54.79 57.25 3hx0 n ASP 449 Cb 0.04 -0.20 0.04 0.00 1.84 0.00 0.00 41.12 42.84 3hx0 n ASP 449 CO 0.00 0.00 0.00 -1.28 -1.07 0.00 0.00 177.20 174.85 3hx0 h SER 450 N 0.00 0.95 1.16 -2.24 0.87 -0.32 0.36 113.55 114.33 3hx0 h SER 450 Ca -0.38 -0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 59.97 3hx0 h SER 450 Cb 1.60 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 3hx0 h SER 450 CO -0.05 0.86 -0.19 -0.07 -0.53 0.00 0.00 176.83 176.84 3hx0 h LEU 451 N 0.98 0.00 0.00 2.23 3.38 -1.59 -2.95 115.31 117.36 3hx0 h LEU 451 Ca 0.23 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.99 3hx0 h LEU 451 Cb 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3hx0 h LEU 451 CO -0.02 0.19 -1.06 0.03 0.09 0.00 0.00 178.44 177.67 3hx0 h ARG 452 N 0.00 0.00 0.73 1.13 3.08 -1.52 0.19 114.38 117.99 3hx0 h ARG 452 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3hx0 h ARG 452 Cb 0.83 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.88 3hx0 h ARG 452 CO 0.03 0.84 -0.35 1.96 -1.07 0.00 0.00 179.97 181.37 3hx0 h GLN 453 N 0.00 -0.95 0.00 0.04 4.20 -0.77 -2.19 115.11 115.45 3hx0 h GLN 453 Ca -0.06 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3hx0 h GLN 453 Cb 1.75 0.22 0.00 0.00 0.30 0.00 0.00 27.48 29.75 3hx0 h GLN 453 CO 0.11 -0.62 0.00 -0.85 -0.67 0.00 0.00 178.83 176.80 3hx0 n GLU 454 N -5.50 0.33 -1.65 1.46 0.28 -1.21 -4.85 120.64 109.51 3hx0 n GLU 454 Ca -0.14 0.09 -0.05 0.00 -0.16 0.00 0.00 57.16 56.90 3hx0 n GLU 454 Cb 0.40 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.76 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 0.10 0.44 0.23 -1.84 0.00 -0.82 -4.94 105.19 98.36 3hx0 n GLY 455 Ca 0.09 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 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 1.02 -3.43 1.61 3.57 -0.87 -3.42 116.94 115.41 3hx0 h PHE 456 Ca -0.10 -0.40 -0.60 0.00 3.53 0.00 0.00 57.97 60.40 3hx0 h PHE 456 Cb 0.73 -0.18 -0.10 0.00 2.79 0.00 0.00 35.95 39.19 3hx0 h PHE 456 CO 0.13 1.21 0.06 -0.51 -2.23 0.00 0.00 178.31 176.97 3hx0 s LEU 457 N -8.52 4.15 -0.23 0.59 1.43 -0.98 -1.99 118.68 113.13 3hx0 s LEU 457 Ca -0.10 0.78 -0.13 0.00 -1.03 0.00 0.00 54.13 53.65 3hx0 s LEU 457 Cb 0.10 -2.83 -0.17 0.00 0.03 0.00 0.00 46.19 43.32 3hx0 s LEU 457 CO 0.89 -0.24 -0.03 0.35 0.23 0.00 0.00 176.35 177.55 3hx0 n THR 458 N 4.63 1.57 -4.26 5.49 -2.24 0.92 -4.82 114.28 115.58 3hx0 n THR 458 Ca -0.03 -0.34 -0.16 0.00 -2.27 0.00 0.00 64.05 61.25 3hx0 n THR 458 Cb 0.50 -1.84 -0.09 0.00 -2.10 0.00 0.00 70.33 66.80 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 -7.06 0.91 -0.02 3.42 1.11 -0.96 -4.99 116.67 109.08 3hx0 s ASP 459 Ca -0.32 -1.53 0.02 0.00 0.18 0.00 0.00 52.55 50.90 3hx0 s ASP 459 Cb 0.10 0.42 0.00 0.00 1.07 0.00 0.00 42.92 44.51 3hx0 s ASP 459 CO 0.59 -0.91 -0.08 -1.81 1.18 0.00 0.00 175.17 174.14 3hx0 s ASP 460 N -3.27 1.13 -0.21 0.27 1.01 -1.26 -1.34 116.67 112.99 3hx0 s ASP 460 Ca 0.39 -0.17 -0.06 0.00 0.71 0.00 0.00 52.55 53.42 3hx0 s ASP 460 Cb 0.05 -0.28 -0.11 0.00 1.01 0.00 0.00 42.92 43.59 3hx0 s ASP 460 CO 0.18 0.06 -0.24 0.18 0.21 0.00 0.00 175.17 175.56 3hx0 n LEU 461 N 3.26 2.10 -3.70 1.23 4.77 0.31 -4.91 117.00 120.06 3hx0 n LEU 461 Ca -0.18 0.12 -0.16 0.00 -0.03 0.00 0.00 56.01 55.76 3hx0 n LEU 461 Cb 0.55 -0.66 -0.16 0.00 -2.33 0.00 0.00 43.42 40.82 3hx0 n LEU 461 CO 0.25 0.60 -0.26 -0.69 -1.33 0.00 0.00 177.39 175.96 3hx0 s VAL 462 N -2.40 -0.17 -0.30 4.08 1.01 -0.33 -4.84 120.40 117.46 3hx0 s VAL 462 Ca -0.29 0.31 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 3hx0 s VAL 462 Cb 0.10 -0.24 0.17 0.00 0.00 0.00 0.00 36.38 36.40 3hx0 s VAL 462 CO 0.41 0.13 0.82 -0.55 0.00 0.00 0.00 175.10 175.91 3hx0 s SER 463 N 1.87 -0.90 -0.55 3.32 0.15 -1.26 -0.92 113.70 115.41 3hx0 s SER 463 Ca -0.01 0.85 -0.18 0.00 0.70 0.00 0.00 55.95 57.31 3hx0 s SER 463 Cb -0.12 1.87 0.09 0.00 -1.71 0.00 0.00 66.02 66.15 3hx0 s SER 463 CO -0.05 -0.17 0.62 -1.58 1.20 0.00 0.00 173.24 173.26 3hx0 s GLN 464 N 2.78 3.05 -0.02 5.44 2.00 -1.26 -4.86 119.66 126.79 3hx0 s GLN 464 Ca 0.04 -1.24 0.15 0.00 -2.00 0.00 0.00 55.36 52.30 3hx0 s GLN 464 Cb -0.11 -4.21 -0.22 0.00 0.80 0.00 0.00 33.01 29.27 3hx0 s GLN 464 CO -0.17 -1.37 0.34 0.39 -0.50 0.00 0.00 175.29 173.98 3hx0 n GLU 465 N 6.04 0.58 0.25 1.67 1.02 -1.26 -4.36 120.64 124.58 3hx0 n GLU 465 Ca -0.09 -0.12 0.13 0.00 -0.02 0.00 0.00 57.16 57.05 3hx0 n GLU 465 Cb 0.43 -1.33 0.63 0.00 -0.02 0.00 0.00 31.44 31.15 3hx0 n GLU 465 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3hx0 h GLU 466 N 0.00 0.00 -5.94 3.49 4.39 -2.06 -3.42 114.58 111.04 3hx0 h GLU 466 Ca 0.00 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.02 3hx0 h GLU 466 Cb 0.64 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.11 3hx0 h GLU 466 CO 0.00 0.15 -0.66 1.21 -1.16 0.00 0.00 179.01 178.55 3hx0 s ASN 467 N -6.06 4.93 -0.04 1.42 3.84 -1.26 -5.01 114.94 112.75 3hx0 s ASN 467 Ca -0.01 0.03 0.05 0.00 0.21 0.00 0.00 52.86 53.14 3hx0 s ASN 467 Cb 0.11 -1.39 0.21 0.00 -0.55 0.00 0.00 41.25 39.63 3hx0 s ASN 467 CO 0.59 0.34 0.95 0.61 -2.79 0.00 0.00 177.10 176.81 3hx0 n GLY 468 N 2.39 1.25 0.45 1.21 0.00 -1.26 -3.74 105.19 105.49 3hx0 n GLY 468 Ca -0.18 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.67 3hx0 n GLY 468 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx0 n GLN 469 N 0.15 1.75 -1.67 1.61 0.00 -1.26 -4.59 117.38 113.37 3hx0 n GLN 469 Ca 0.07 -2.82 -0.45 0.00 0.00 0.00 0.00 57.00 53.81 3hx0 n GLN 469 Cb 0.40 -1.63 -0.03 0.00 0.00 0.00 0.00 30.24 28.98 3hx0 n GLN 469 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 3hx0 n GLN 470 N -1.15 2.08 -0.07 2.61 7.27 -1.25 -4.92 117.38 121.95 3hx0 n GLN 470 Ca 0.19 0.74 -0.14 0.00 0.07 0.00 0.00 57.00 57.86 3hx0 n GLN 470 Cb 0.75 -2.41 -0.05 0.00 2.41 0.00 0.00 30.24 30.94 3hx0 n GLN 470 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 3hx0 n GLN 471 N 2.10 0.32 -4.14 3.69 6.02 -1.26 -4.89 117.38 119.22 3hx0 n GLN 471 Ca 0.12 0.14 -0.23 0.00 -0.01 0.00 0.00 57.00 57.02 3hx0 n GLN 471 Cb 0.32 -1.04 -0.06 0.00 1.02 0.00 0.00 30.24 30.47 3hx0 n GLN 471 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3hx0 s LYS 472 N -2.32 2.46 -0.05 -1.09 -2.85 -1.26 -2.08 119.74 112.55 3hx0 s LYS 472 Ca -0.21 -1.41 -0.02 0.00 -1.00 0.00 0.00 55.97 53.34 3hx0 s LYS 472 Cb 0.07 -2.26 0.04 0.00 -2.06 0.00 0.00 37.83 33.62 3hx0 s LYS 472 CO 0.26 0.23 0.09 -0.47 0.10 0.00 0.00 175.35 175.57 3hx0 s TYR 473 N -2.34 -0.06 -0.19 1.78 5.04 0.19 -4.65 117.35 117.11 3hx0 s TYR 473 Ca 0.35 0.35 0.01 0.00 -2.44 0.00 0.00 57.07 55.34 3hx0 s TYR 473 Cb -0.05 -0.23 0.03 0.00 0.35 0.00 0.00 41.96 42.07 3hx0 s TYR 473 CO 0.22 -0.16 -0.15 -0.51 -1.34 0.00 0.00 175.55 173.61 3hx0 s LEU 474 N 1.47 2.26 0.00 6.97 1.43 -0.09 -1.19 118.68 129.52 3hx0 s LEU 474 Ca -0.05 -0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 52.26 3hx0 s LEU 474 Cb -0.12 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.73 3hx0 s LEU 474 CO -0.04 -0.07 0.16 0.61 0.23 0.00 0.00 176.35 177.23 3hx0 n GLY 475 N 4.64 2.69 3.17 -3.19 0.00 -0.72 0.11 105.19 111.90 3hx0 n GLY 475 Ca -0.18 -1.40 -0.28 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.57 1.68 0.21 1.61 1.01 -0.45 -0.76 120.40 121.12 3hx0 s VAL 476 Ca 0.08 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.24 3hx0 s VAL 476 Cb -0.00 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 3hx0 s VAL 476 CO 0.06 0.47 0.02 0.00 0.00 0.00 0.00 175.10 175.66 3hx0 s ARG 478 N -3.93 0.23 0.71 0.00 3.52 -0.84 0.30 118.95 118.94 3hx0 s ARG 478 Ca 0.29 0.61 -0.11 0.00 -0.13 0.00 0.00 55.73 56.39 3hx0 s ARG 478 Cb 0.06 -0.09 0.02 0.00 -1.56 0.00 0.00 34.95 33.38 3hx0 s ARG 478 CO 0.08 -0.18 1.07 -0.51 -0.81 0.00 0.00 175.30 174.95 3hx0 s LEU 479 N 1.44 3.11 0.99 -0.88 1.43 -1.26 -4.74 118.68 118.78 3hx0 s LEU 479 Ca -0.08 1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 54.58 3hx0 s LEU 479 Cb -0.10 -4.50 0.19 0.00 0.03 0.00 0.00 46.19 41.80 3hx0 s LEU 479 CO -0.09 -1.60 1.08 -2.84 0.23 0.00 0.00 176.35 173.13 3hx0 s PRO 480 N -4.98 0.46 0.00 1.29 0.02 -1.26 -4.86 135.00 125.66 3hx0 s PRO 480 Ca 0.59 0.68 0.00 0.00 0.02 0.00 0.00 61.00 62.29 3hx0 s PRO 480 Cb -0.15 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.64 3hx0 s PRO 480 CO 0.55 -2.75 0.00 0.41 -0.33 0.00 0.00 177.00 174.87 3hx0 n GLY 481 N -0.77 0.56 3.85 0.52 0.00 -1.26 -4.92 105.19 103.17 3hx0 n GLY 481 Ca 0.06 -1.88 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.03 3.96 -1.17 1.61 0.04 -1.26 -4.27 135.00 131.88 3hx0 s PRO 482 Ca 0.00 0.87 -0.06 0.00 0.04 0.00 0.00 61.00 61.86 3hx0 s PRO 482 Cb 0.00 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.34 3hx0 s PRO 482 CO 0.00 -0.17 0.75 0.41 0.04 0.00 0.00 177.00 178.03 3hx0 n GLY 483 N -1.32 -0.27 3.93 0.56 0.00 -1.26 -5.02 105.19 101.81 3hx0 n GLY 483 Ca 0.06 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -5.79 3.46 0.23 1.61 1.81 -1.26 -5.12 118.95 113.89 3hx0 s ARG 484 Ca 0.37 -0.45 0.12 0.00 -1.72 0.00 0.00 55.73 54.05 3hx0 s ARG 484 Cb -0.16 -2.98 -0.05 0.00 -0.45 0.00 0.00 34.95 31.31 3hx0 s ARG 484 CO 0.46 0.55 -0.22 1.03 -0.68 0.00 0.00 175.30 176.43 3hx0 s ARG 485 N -2.83 1.58 0.12 3.54 0.52 -1.26 -5.05 118.95 115.57 3hx0 s ARG 485 Ca 0.36 -1.62 -0.30 0.00 -0.52 0.00 0.00 55.73 53.64 3hx0 s ARG 485 Cb -0.12 -1.80 -0.06 0.00 0.52 0.00 0.00 34.95 33.49 3hx0 s ARG 485 CO 0.28 0.37 1.10 -1.01 0.02 0.00 0.00 175.30 176.05 3hx0 s HIS 486 N -2.03 3.59 0.04 -0.53 3.76 -1.26 -4.59 115.29 114.27 3hx0 s HIS 486 Ca 0.24 1.56 0.07 0.00 -0.15 0.00 0.00 55.06 56.78 3hx0 s HIS 486 Cb -0.07 -3.27 -0.03 0.00 1.11 0.00 0.00 32.58 30.32 3hx0 s HIS 486 CO 0.12 -0.62 -0.18 1.03 -0.85 0.00 0.00 174.74 174.24 3hx0 s ARG 487 N 0.17 2.07 -0.12 1.40 1.81 0.15 -4.52 118.95 119.90 3hx0 s ARG 487 Ca 0.52 -0.98 -0.29 0.00 -1.72 0.00 0.00 55.73 53.26 3hx0 s ARG 487 Cb -0.28 -2.18 -0.01 0.00 -0.45 0.00 0.00 34.95 32.03 3hx0 s ARG 487 CO 0.32 0.54 0.98 1.03 -0.68 0.00 0.00 175.30 177.49 3hx0 s ARG 488 N -1.41 4.40 -0.01 3.54 0.52 -1.26 -0.81 118.95 123.92 3hx0 s ARG 488 Ca 0.14 1.33 0.04 0.00 -0.52 0.00 0.00 55.73 56.73 3hx0 s ARG 488 Cb -0.10 -3.55 -0.03 0.00 0.52 0.00 0.00 34.95 31.79 3hx0 s ARG 488 CO 0.05 -0.32 -0.12 -1.17 0.02 0.00 0.00 175.30 173.75 3hx0 s LEU 489 N 2.06 2.88 -0.15 2.53 2.96 0.06 -2.36 118.68 126.66 3hx0 s LEU 489 Ca 0.47 -0.22 -0.02 0.00 -0.22 0.00 0.00 54.13 54.13 3hx0 s LEU 489 Cb -0.18 -1.64 0.05 0.00 0.50 0.00 0.00 46.19 44.92 3hx0 s LEU 489 CO 0.17 0.30 0.02 -0.62 -1.32 0.00 0.00 176.35 174.90 3hx0 s ASP 490 N -1.14 2.43 -0.04 3.68 -1.08 -0.78 -1.75 116.67 117.98 3hx0 s ASP 490 Ca 0.14 -0.56 0.06 0.00 -0.52 0.00 0.00 52.55 51.67 3hx0 s ASP 490 Cb -0.11 -0.54 -0.01 0.00 -1.46 0.00 0.00 42.92 40.80 3hx0 s ASP 490 CO 0.04 -0.27 -0.23 -0.63 0.52 0.00 0.00 175.17 174.61 3hx0 s ILE 491 N 1.90 1.84 -0.02 4.11 1.01 -0.34 -0.62 121.20 129.08 3hx0 s ILE 491 Ca 0.01 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 3hx0 s ILE 491 Cb -0.15 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 40.78 3hx0 s ILE 491 CO -0.07 0.52 0.05 0.27 0.00 0.00 0.00 174.94 175.70 3hx0 s ILE 492 N -0.20 -0.02 -0.09 2.92 -5.25 -0.88 0.53 121.20 118.21 3hx0 s ILE 492 Ca -0.01 0.07 -0.00 0.00 -0.99 0.00 0.00 60.65 59.72 3hx0 s ILE 492 Cb -0.12 -0.08 -0.03 0.00 2.95 0.00 0.00 42.46 45.18 3hx0 s ILE 492 CO 0.02 0.03 -0.07 -0.69 -1.79 0.00 0.00 174.94 172.44 3hx0 s VAL 493 N 0.38 3.69 0.03 8.37 1.01 -0.88 -0.84 120.40 132.15 3hx0 s VAL 493 Ca -0.03 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3hx0 s VAL 493 Cb -0.04 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 3hx0 s VAL 493 CO -0.01 0.57 -0.04 0.68 0.00 0.00 0.00 175.10 176.29 3hx0 s VAL 494 N -0.47 0.24 0.38 2.92 -7.23 -0.07 -4.87 120.40 111.30 3hx0 s VAL 494 Ca 0.07 -0.99 -0.28 0.00 -1.81 0.00 0.00 61.98 58.98 3hx0 s VAL 494 Cb -0.12 -0.40 -0.10 0.00 0.56 0.00 0.00 36.38 36.32 3hx0 s VAL 494 CO 0.02 -0.48 1.46 -2.84 -0.31 0.00 0.00 175.10 172.95 3hx0 s PRO 495 N -1.57 4.06 0.60 4.82 0.02 -1.26 -4.41 135.00 137.26 3hx0 s PRO 495 Ca -0.14 2.51 0.29 0.00 0.02 0.00 0.00 61.00 63.68 3hx0 s PRO 495 Cb -0.09 -2.92 1.49 0.00 0.02 0.00 0.00 34.50 32.99 3hx0 s PRO 495 CO -0.01 -0.54 1.89 -0.92 -0.33 0.00 0.00 177.00 177.09 3hx0 h TYR 496 N 2.92 0.00 0.00 6.54 3.20 -1.84 0.33 116.97 128.12 3hx0 h TYR 496 Ca -0.51 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.36 3hx0 h TYR 496 Cb 1.24 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.51 3hx0 h TYR 496 CO 0.53 0.00 0.00 -1.13 -1.64 0.00 0.00 178.16 175.92 3hx0 n SER 497 N -3.55 0.00 -0.23 -2.11 3.41 -1.26 -2.86 113.62 107.01 3hx0 n SER 497 Ca 0.06 0.39 0.02 0.00 -0.26 0.00 0.00 58.87 59.08 3hx0 n SER 497 Cb 0.62 -0.46 0.05 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.46 2.66 -0.04 4.33 1.02 0.12 -4.75 120.64 122.52 3hx0 n GLU 498 Ca 0.07 -1.62 -0.08 0.00 -0.02 0.00 0.00 57.16 55.51 3hx0 n GLU 498 Cb 0.26 -1.10 -0.02 0.00 -0.02 0.00 0.00 31.44 30.56 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 0.76 -0.18 0.01 -0.32 3.57 -1.41 0.17 116.94 119.54 3hx0 h PHE 499 Ca 0.00 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.54 3hx0 h PHE 499 Cb 0.55 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 3hx0 h PHE 499 CO 0.08 -0.13 -0.12 0.00 -2.23 0.00 0.00 178.31 175.91 3hx0 h ALA 500 N 1.16 -0.14 -0.15 2.41 0.00 -1.79 0.41 119.26 121.17 3hx0 h ALA 500 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3hx0 h ALA 500 Cb 0.20 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3hx0 h ALA 500 CO -0.24 -0.61 -0.38 0.00 0.00 0.00 0.00 179.25 178.01 3hx0 h ALA 502 N 1.33 0.22 0.44 0.00 0.00 -0.34 -2.39 119.26 118.53 3hx0 h ALA 502 Ca 0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3hx0 h ALA 502 Cb 0.80 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3hx0 h ALA 502 CO 0.06 0.18 -0.39 1.25 0.00 0.00 0.00 179.25 180.35 3hx0 h LEU 503 N 0.02 -1.05 -0.77 0.00 5.85 -0.08 0.74 115.31 120.02 3hx0 h LEU 503 Ca 0.01 0.08 0.17 0.00 0.84 0.00 0.00 57.88 58.98 3hx0 h LEU 503 Cb 0.79 0.34 -0.11 0.00 0.37 0.00 0.00 40.66 42.05 3hx0 h LEU 503 CO 0.05 -0.56 0.25 0.25 -0.34 0.00 0.00 178.44 178.10 3hx0 h LEU 504 N -0.84 0.15 0.28 2.25 5.85 -1.37 0.10 115.31 121.74 3hx0 h LEU 504 Ca -0.04 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3hx0 h LEU 504 Cb 0.73 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3hx0 h LEU 504 CO -0.04 0.01 -0.14 0.22 -0.34 0.00 0.00 178.44 178.16 3hx0 h TYR 505 N 0.35 -0.35 0.00 1.25 3.20 -0.94 -2.98 116.97 117.50 3hx0 h TYR 505 Ca 0.44 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.29 3hx0 h TYR 505 Cb 0.75 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.13 3hx0 h TYR 505 CO -0.21 -0.11 -0.07 0.35 -1.64 0.00 0.00 178.16 176.48 3hx0 h PHE 506 N -0.54 0.00 -0.06 -3.82 -0.00 -0.24 -2.60 116.94 109.68 3hx0 h PHE 506 Ca -0.04 0.00 -0.16 0.00 -0.00 0.00 0.00 57.97 57.78 3hx0 h PHE 506 Cb 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.34 3hx0 h PHE 506 CO -0.01 0.07 -0.65 1.15 -0.00 0.00 0.00 178.31 178.86 3hx0 h THR 507 N 0.00 1.41 -0.28 4.41 2.02 -0.73 0.18 112.91 119.92 3hx0 h THR 507 Ca -0.00 -2.10 0.00 0.00 0.77 0.00 0.00 66.41 65.08 3hx0 h THR 507 Cb 0.45 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 3hx0 h THR 507 CO 0.01 0.62 0.00 0.61 0.37 0.00 0.00 175.52 177.13 3hx0 n GLY 508 N 0.38 0.32 3.70 2.16 0.00 -0.98 -4.04 105.19 106.73 3hx0 n GLY 508 Ca -0.03 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 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 1.65 0.11 1.61 1.04 0.90 -4.77 113.70 110.24 3hx0 s SER 509 Ca 0.00 0.52 -0.27 0.00 0.48 0.00 0.00 55.95 56.68 3hx0 s SER 509 Cb 0.00 -0.70 -0.09 0.00 0.10 0.00 0.00 66.02 65.34 3hx0 s SER 509 CO 0.00 -3.66 1.64 0.00 0.98 0.00 0.00 173.24 172.20 3hx0 h ALA 510 N -2.27 -0.44 -0.48 5.32 0.00 -1.90 -1.39 119.26 118.11 3hx0 h ALA 510 Ca -0.45 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.51 3hx0 h ALA 510 Cb 1.27 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 19.40 3hx0 h ALA 510 CO 0.36 -0.79 0.04 0.00 0.00 0.00 0.00 179.25 178.85 3hx0 h ALA 511 N 0.27 0.48 -0.60 0.00 0.00 -1.93 -1.18 119.26 116.29 3hx0 h ALA 511 Ca 0.03 0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.17 3hx0 h ALA 511 Cb 0.49 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 3hx0 h ALA 511 CO -0.14 -0.36 0.18 0.35 0.00 0.00 0.00 179.25 179.28 3hx0 h PHE 512 N 0.15 0.31 0.38 0.00 3.04 -1.68 -0.32 116.94 118.83 3hx0 h PHE 512 Ca 0.24 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.20 3hx0 h PHE 512 Cb 0.34 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.81 3hx0 h PHE 512 CO -0.27 0.04 -0.18 -0.91 -2.02 0.00 0.00 178.31 174.96 3hx0 h ASN 513 N 0.34 -0.43 -1.33 0.41 2.35 -0.22 0.17 115.58 116.86 3hx0 h ASN 513 Ca 0.31 0.01 0.39 0.00 -0.55 0.00 0.00 56.30 56.46 3hx0 h ASN 513 Cb 0.43 0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.85 3hx0 h ASN 513 CO -0.35 -0.24 0.95 0.00 -1.65 0.00 0.00 177.43 176.14 3hx0 h ALA 514 N -1.62 3.22 0.00 -0.83 0.00 -1.19 0.70 119.26 119.55 3hx0 h ALA 514 Ca -0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3hx0 h ALA 514 Cb 0.39 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hx0 h ALA 514 CO 0.09 -1.61 -0.12 0.77 0.00 0.00 0.00 179.25 178.38 3hx0 h SER 515 N 0.02 0.00 -0.80 0.00 0.02 -0.96 -2.84 113.55 108.98 3hx0 h SER 515 Ca 0.64 -0.92 -0.04 0.00 -0.84 0.00 0.00 61.79 60.62 3hx0 h SER 515 Cb 2.53 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 65.03 3hx0 h SER 515 CO -0.03 1.03 0.33 -0.03 -1.14 0.00 0.00 176.83 176.99 3hx0 h MET 516 N -1.00 1.19 -0.39 3.45 -1.53 0.15 -1.60 114.93 115.20 3hx0 h MET 516 Ca -0.03 -0.21 -0.01 0.00 -3.44 0.00 0.00 59.70 56.01 3hx0 h MET 516 Cb 1.00 -0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 31.83 3hx0 h MET 516 CO -0.02 0.95 0.22 0.00 0.14 0.00 0.00 176.91 178.20 3hx0 h ARG 517 N 1.16 0.55 -0.46 0.39 3.08 0.16 -1.24 114.38 118.02 3hx0 h ARG 517 Ca 0.27 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.32 3hx0 h ARG 517 Cb 0.20 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.08 3hx0 h ARG 517 CO -0.02 0.44 0.13 0.00 -1.07 0.00 0.00 179.97 179.44 3hx0 h ALA 518 N 1.08 0.53 -0.66 0.04 0.00 -1.20 -0.55 119.26 118.50 3hx0 h ALA 518 Ca 0.14 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.18 3hx0 h ALA 518 Cb 0.05 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3hx0 h ALA 518 CO -0.02 -0.27 0.38 1.25 0.00 0.00 0.00 179.25 180.59 3hx0 h LEU 519 N 0.28 0.58 -2.06 0.00 5.85 -0.89 0.03 115.31 119.10 3hx0 h LEU 519 Ca 0.22 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3hx0 h LEU 519 Cb 0.26 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 3hx0 h LEU 519 CO -0.26 0.39 -0.05 0.00 -0.34 0.00 0.00 178.44 178.17 3hx0 h ALA 520 N 1.33 1.70 -0.39 1.25 0.00 0.04 -2.06 119.26 121.13 3hx0 h ALA 520 Ca 0.29 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3hx0 h ALA 520 Cb 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hx0 h ALA 520 CO -0.16 0.07 -0.11 -0.22 0.00 0.00 0.00 179.25 178.83 3hx0 h LYS 521 N 0.00 0.77 -0.25 0.00 3.64 0.46 -0.09 116.57 121.10 3hx0 h LYS 521 Ca -0.00 -0.30 -0.10 0.00 -1.27 0.00 0.00 60.65 58.98 3hx0 h LYS 521 Cb 0.11 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3hx0 h LYS 521 CO 0.01 0.91 -0.26 1.79 -2.27 0.00 0.00 179.45 179.63 3hx0 h THR 522 N 0.57 1.27 0.00 1.00 1.35 -1.11 -0.99 112.91 115.00 3hx0 h THR 522 Ca 0.10 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 3hx0 h THR 522 Cb 0.63 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 3hx0 h THR 522 CO 0.04 0.41 0.00 0.29 -0.25 0.00 0.00 175.52 176.01 3hx0 n LYS 523 N -4.12 0.30 -0.85 4.72 4.76 -0.90 -4.78 118.16 117.29 3hx0 n LYS 523 Ca -0.00 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 3hx0 n LYS 523 Cb 0.41 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 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 -0.34 0.82 0.11 0.72 0.00 -0.38 -4.94 105.19 101.17 3hx0 n GLY 524 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.27 1.14 -3.77 1.61 2.81 -0.06 -2.89 117.12 113.69 3hx0 n MET 525 Ca 0.00 -0.09 -0.13 0.00 -1.81 0.00 0.00 57.70 55.67 3hx0 n MET 525 Cb 0.00 -0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.40 3hx0 n MET 525 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3hx0 s SER 526 N -1.10 -0.31 -0.06 7.83 0.15 -0.63 -3.73 113.70 115.86 3hx0 s SER 526 Ca 0.01 0.59 0.02 0.00 0.70 0.00 0.00 55.95 57.27 3hx0 s SER 526 Cb -0.00 0.58 0.02 0.00 -1.71 0.00 0.00 66.02 64.91 3hx0 s SER 526 CO 0.01 -0.11 -0.09 -0.22 1.20 0.00 0.00 173.24 174.03 3hx0 s LEU 527 N 0.29 1.49 0.31 3.45 2.96 -1.26 -0.62 118.68 125.31 3hx0 s LEU 527 Ca -0.01 -0.23 -0.00 0.00 -0.22 0.00 0.00 54.13 53.66 3hx0 s LEU 527 Cb -0.03 -0.68 -0.01 0.00 0.50 0.00 0.00 46.19 45.96 3hx0 s LEU 527 CO -0.01 -0.01 0.36 -0.94 -1.32 0.00 0.00 176.35 174.43 3hx0 s SER 528 N 0.83 0.93 0.00 3.68 1.04 -1.11 -4.90 113.70 114.17 3hx0 s SER 528 Ca -0.12 -1.50 0.10 0.00 0.48 0.00 0.00 55.95 54.91 3hx0 s SER 528 Cb -0.15 0.58 0.51 0.00 0.10 0.00 0.00 66.02 67.06 3hx0 s SER 528 CO 0.02 -1.14 1.23 -1.84 0.98 0.00 0.00 173.24 172.49 3hx0 n GLU 529 N -0.52 0.13 -0.11 4.02 0.00 -1.26 -3.03 120.64 119.88 3hx0 n GLU 529 Ca 0.03 0.20 -0.21 0.00 0.00 0.00 0.00 57.16 57.19 3hx0 n GLU 529 Cb 0.63 -1.50 -0.10 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 -1.31 0.78 -3.76 -1.84 8.25 -1.26 -2.61 115.22 113.48 3hx0 n HIS 530 Ca 0.05 0.34 0.02 0.00 -0.26 0.00 0.00 57.72 57.86 3hx0 n HIS 530 Cb 0.09 -1.02 0.00 0.00 1.12 0.00 0.00 29.99 30.18 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 -2.46 -2.27 -0.50 -1.41 0.00 -1.17 -4.62 121.76 109.33 3hx0 s ALA 531 Ca -0.29 0.41 -0.14 0.00 0.00 0.00 0.00 51.96 51.93 3hx0 s ALA 531 Cb 0.07 0.57 0.11 0.00 0.00 0.00 0.00 23.12 23.87 3hx0 s ALA 531 CO 0.52 -1.09 0.43 -1.17 0.00 0.00 0.00 175.76 174.45 3hx0 s LEU 532 N -3.28 5.90 0.55 0.00 2.96 -1.26 -2.77 118.68 120.77 3hx0 s LEU 532 Ca 0.20 -1.66 -0.07 0.00 -0.22 0.00 0.00 54.13 52.37 3hx0 s LEU 532 Cb 0.03 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 3hx0 s LEU 532 CO -0.02 -0.76 0.88 -0.44 -1.32 0.00 0.00 176.35 174.69 3hx0 s SER 533 N 3.10 6.09 0.51 3.68 0.01 0.21 -1.33 113.70 125.97 3hx0 s SER 533 Ca 0.04 1.01 0.01 0.00 1.31 0.00 0.00 55.95 58.31 3hx0 s SER 533 Cb -0.27 -2.18 -0.01 0.00 0.21 0.00 0.00 66.02 63.77 3hx0 s SER 533 CO 0.03 -0.78 0.01 0.28 0.41 0.00 0.00 173.24 173.19 3hx0 s THR 534 N -2.92 1.08 0.00 1.44 -1.32 -0.92 -1.60 115.64 111.39 3hx0 s THR 534 Ca 0.51 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.99 3hx0 s THR 534 Cb -0.11 -2.11 0.00 0.00 -1.51 0.00 0.00 72.50 68.78 3hx0 s THR 534 CO 0.47 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.88 3hx0 n ALA 535 N -1.27 -0.69 -2.51 11.08 0.00 -1.20 -3.69 120.51 122.23 3hx0 n ALA 535 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 52.98 3hx0 n ALA 535 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.11 3hx0 n ALA 535 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hx0 s VAL 536 N 0.00 5.03 -1.10 0.00 1.01 -1.14 -4.55 120.40 119.65 3hx0 s VAL 536 Ca 0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 61.98 61.68 3hx0 s VAL 536 Cb 0.00 -3.84 0.16 0.00 0.00 0.00 0.00 36.38 32.71 3hx0 s VAL 536 CO 0.00 -0.60 1.30 -0.69 0.00 0.00 0.00 175.10 175.11 3hx0 s VAL 537 N -2.40 4.98 -0.09 2.92 1.01 -1.09 -4.99 120.40 120.74 3hx0 s VAL 537 Ca 0.43 -2.30 -0.05 0.00 0.00 0.00 0.00 61.98 60.06 3hx0 s VAL 537 Cb -0.10 -4.84 -0.04 0.00 0.00 0.00 0.00 36.38 31.40 3hx0 s VAL 537 CO 0.37 -1.55 0.13 -0.13 0.00 0.00 0.00 175.10 173.92 3hx0 s ARG 538 N 1.82 3.37 0.00 2.72 0.52 -1.26 -1.20 118.95 124.93 3hx0 s ARG 538 Ca 0.38 -0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.38 3hx0 s ARG 538 Cb -0.04 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.32 3hx0 s ARG 538 CO -0.04 0.74 0.00 0.27 0.02 0.00 0.00 175.30 176.30 3hx0 n ASN 539 N 1.73 1.15 0.04 0.23 6.94 -1.26 -4.89 115.26 119.19 3hx0 n ASN 539 Ca -0.18 -0.11 -0.12 0.00 -0.02 0.00 0.00 54.58 54.16 3hx0 n ASN 539 Cb 0.54 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.91 3hx0 n ASN 539 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3hx0 h THR 540 N 0.07 0.28 0.00 5.53 2.02 -1.99 0.18 112.91 119.00 3hx0 h THR 540 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3hx0 h THR 540 Cb 0.00 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 3hx0 h THR 540 CO 0.00 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.30 3hx0 n HIS 541 N -5.41 0.00 -1.95 3.16 8.25 -1.26 -4.82 115.22 113.19 3hx0 n HIS 541 Ca -0.04 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.32 3hx0 n HIS 541 Cb 0.33 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.40 3hx0 n HIS 541 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hx0 n GLY 542 N -0.08 0.27 0.00 -1.41 0.00 0.63 -5.02 105.19 99.58 3hx0 n GLY 542 Ca 0.11 -0.52 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 -0.77 0.00 -3.15 4.61 0.00 -1.26 -4.71 120.51 115.22 3hx0 n ALA 543 Ca -0.11 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.38 3hx0 n ALA 543 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.96 3hx0 n ALA 543 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3hx0 s LYS 544 N 0.00 0.20 -0.02 0.00 2.20 -1.24 -4.38 119.74 116.50 3hx0 s LYS 544 Ca 0.00 0.21 0.17 0.00 -0.36 0.00 0.00 55.97 55.99 3hx0 s LYS 544 Cb 0.00 0.10 -0.25 0.00 -1.51 0.00 0.00 37.83 36.17 3hx0 s LYS 544 CO 0.00 -0.37 0.42 1.55 -0.36 0.00 0.00 175.35 176.59 3hx0 n VAL 545 N 5.18 0.00 -4.54 4.02 3.14 -0.34 -4.99 118.33 120.79 3hx0 n VAL 545 Ca 0.08 -0.34 -0.23 0.00 -2.96 0.00 0.00 64.34 60.88 3hx0 n VAL 545 Cb 0.57 0.25 -0.14 0.00 -1.06 0.00 0.00 33.84 33.46 3hx0 n VAL 545 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3hx0 s GLY 546 N -3.72 0.92 0.00 7.55 0.00 -1.25 -5.00 107.32 105.81 3hx0 s GLY 546 Ca -0.04 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.79 3hx0 s GLY 546 CO 0.69 -0.83 0.00 -1.55 0.00 0.00 0.00 173.10 171.41 3hx0 n PRO 547 N 2.03 0.13 -3.10 2.90 -0.04 -1.26 -2.67 135.00 132.99 3hx0 n PRO 547 Ca -0.17 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.31 3hx0 n PRO 547 Cb 0.54 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.01 3hx0 n PRO 547 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hx0 n GLY 548 N 1.15 0.38 3.48 0.55 0.00 -1.26 -3.96 105.19 105.53 3hx0 n GLY 548 Ca 0.00 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 3hx0 n GLY 548 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hx0 s ARG 549 N -2.01 3.20 0.21 1.61 3.52 -1.24 -4.78 118.95 119.47 3hx0 s ARG 549 Ca 0.18 -0.85 -0.31 0.00 -0.13 0.00 0.00 55.73 54.62 3hx0 s ARG 549 Cb -0.00 -3.85 -0.11 0.00 -1.56 0.00 0.00 34.95 29.43 3hx0 s ARG 549 CO -0.00 -0.59 1.58 0.08 -0.81 0.00 0.00 175.30 175.55 3hx0 s VAL 550 N 1.68 2.41 0.08 7.11 1.01 -1.26 -2.17 120.40 129.26 3hx0 s VAL 550 Ca 0.05 0.31 -0.08 0.00 0.00 0.00 0.00 61.98 62.26 3hx0 s VAL 550 Cb -0.18 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 3hx0 s VAL 550 CO 0.10 0.03 0.36 -0.76 0.00 0.00 0.00 175.10 174.83 3hx0 s LEU 551 N 0.59 4.34 -0.28 3.92 1.43 -0.44 -4.97 118.68 123.26 3hx0 s LEU 551 Ca 0.68 0.69 -0.29 0.00 -1.03 0.00 0.00 54.13 54.19 3hx0 s LEU 551 Cb -0.45 -2.98 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 3hx0 s LEU 551 CO 0.36 0.17 1.75 -2.16 0.23 0.00 0.00 176.35 176.70 3hx0 s PRO 552 N -2.03 3.50 -0.63 1.29 0.04 -1.26 -4.62 135.00 131.29 3hx0 s PRO 552 Ca 0.33 1.55 0.06 0.00 0.04 0.00 0.00 61.00 62.98 3hx0 s PRO 552 Cb -0.13 -4.15 0.22 0.00 0.04 0.00 0.00 34.50 30.48 3hx0 s PRO 552 CO 0.19 -1.66 0.64 0.25 0.04 0.00 0.00 177.00 176.46 3hx0 n THR 553 N 7.07 1.78 -0.12 1.26 -2.24 -1.26 -4.94 114.28 115.84 3hx0 n THR 553 Ca 0.22 -4.96 -0.05 0.00 -2.27 0.00 0.00 64.05 56.99 3hx0 n THR 553 Cb 0.46 -2.10 0.03 0.00 -2.10 0.00 0.00 70.33 66.62 3hx0 n THR 553 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3hx0 h PRO 554 N 4.58 0.22 -5.19 -0.78 0.11 -1.94 -3.41 132.00 125.59 3hx0 h PRO 554 Ca 0.18 -0.01 -0.63 0.00 0.11 0.00 0.00 66.00 65.65 3hx0 h PRO 554 Cb 0.71 -0.05 -0.13 0.00 0.11 0.00 0.00 31.00 31.64 3hx0 h PRO 554 CO 0.76 0.14 -0.53 0.95 -0.21 0.00 0.00 178.00 179.11 3hx0 s THR 555 N -6.16 1.06 0.07 -1.15 -4.23 -1.26 -4.49 115.64 99.49 3hx0 s THR 555 Ca -0.13 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.19 3hx0 s THR 555 Cb 0.13 -2.32 -0.10 0.00 1.34 0.00 0.00 72.50 71.55 3hx0 s THR 555 CO 0.71 0.00 1.45 -0.33 -0.54 0.00 0.00 174.62 175.92 3hx0 h GLU 556 N 1.56 0.45 -1.15 3.99 5.08 -1.87 -2.99 114.58 119.66 3hx0 h GLU 556 Ca -0.41 -0.18 0.33 0.00 -1.00 0.00 0.00 59.36 58.10 3hx0 h GLU 556 Cb 1.29 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 3hx0 h GLU 556 CO 0.69 0.70 0.86 0.87 -1.00 0.00 0.00 179.01 181.13 3hx0 h LYS 557 N 0.18 0.00 0.10 2.33 1.57 -1.98 -0.01 116.57 118.76 3hx0 h LYS 557 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3hx0 h LYS 557 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3hx0 h LYS 557 CO 0.03 0.00 -0.05 -0.44 -0.57 0.00 0.00 179.45 178.42 3hx0 h ASP 558 N 0.00 -0.12 -0.75 0.86 3.32 -1.91 -1.46 116.42 116.36 3hx0 h ASP 558 Ca 0.54 -0.28 0.16 0.00 0.02 0.00 0.00 57.03 57.48 3hx0 h ASP 558 Cb 2.25 0.03 -0.11 0.00 0.22 0.00 0.00 39.33 41.72 3hx0 h ASP 558 CO -0.01 0.22 0.21 0.58 -1.72 0.00 0.00 179.24 178.53 3hx0 h VAL 559 N -0.47 0.53 0.57 -1.35 2.07 -1.09 0.35 116.25 116.85 3hx0 h VAL 559 Ca -0.01 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 3hx0 h VAL 559 Cb 0.39 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3hx0 h VAL 559 CO 0.02 0.06 -0.27 -0.26 0.02 0.00 0.00 177.57 177.14 3hx0 h PHE 560 N 0.30 -0.71 -0.30 1.57 -1.00 -1.45 -2.89 116.94 112.47 3hx0 h PHE 560 Ca 0.43 -0.02 0.07 0.00 2.81 0.00 0.00 57.97 61.26 3hx0 h PHE 560 Cb 0.73 0.23 -0.08 0.00 3.61 0.00 0.00 35.95 40.44 3hx0 h PHE 560 CO -0.24 -0.41 -0.23 -0.09 -1.61 0.00 0.00 178.31 175.73 3hx0 h ARG 561 N -0.85 -0.20 0.00 1.51 2.43 -0.09 0.23 114.38 117.41 3hx0 h ARG 561 Ca -0.08 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3hx0 h ARG 561 Cb 0.62 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3hx0 h ARG 561 CO 0.13 -0.13 0.00 1.28 -1.51 0.00 0.00 179.97 179.74 3hx0 n LEU 562 N -5.38 0.00 0.00 3.80 4.77 0.11 -0.48 117.00 119.83 3hx0 n LEU 562 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hx0 n LEU 562 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3hx0 n LEU 562 CO 0.13 0.00 0.26 0.18 -1.33 0.00 0.00 177.39 176.64 3hx0 n LEU 563 N -0.84 1.04 -1.71 2.23 4.77 0.71 -4.99 117.00 118.21 3hx0 n LEU 563 Ca 0.04 -1.04 -0.13 0.00 -0.03 0.00 0.00 56.01 54.85 3hx0 n LEU 563 Cb 0.02 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 3hx0 n LEU 563 CO 0.03 0.26 -0.05 0.61 -1.33 0.00 0.00 177.39 176.91 3hx0 n GLY 564 N -0.06 -0.06 3.30 -0.72 0.00 0.37 -5.02 105.19 103.00 3hx0 n GLY 564 Ca 0.00 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.92 2.20 0.51 0.99 1.43 -0.55 -5.02 118.68 114.33 3hx0 s LEU 565 Ca 0.12 -0.59 -0.18 0.00 -1.03 0.00 0.00 54.13 52.44 3hx0 s LEU 565 Cb -0.05 -1.09 -0.08 0.00 0.03 0.00 0.00 46.19 45.00 3hx0 s LEU 565 CO 0.15 0.18 1.01 -2.16 0.23 0.00 0.00 176.35 175.75 3hx0 s PRO 566 N -1.41 3.82 -0.11 1.29 0.04 -1.26 -3.57 135.00 133.80 3hx0 s PRO 566 Ca 0.09 1.16 -0.29 0.00 0.04 0.00 0.00 61.00 62.00 3hx0 s PRO 566 Cb -0.09 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 3hx0 s PRO 566 CO 0.03 -0.39 1.43 -0.47 0.04 0.00 0.00 177.00 177.64 3hx0 s TYR 567 N -2.31 2.47 -0.26 0.56 6.04 -1.26 -4.97 117.35 117.61 3hx0 s TYR 567 Ca 0.63 0.65 -0.09 0.00 0.04 0.00 0.00 57.07 58.30 3hx0 s TYR 567 Cb -0.13 -3.69 -0.03 0.00 -1.04 0.00 0.00 41.96 37.07 3hx0 s TYR 567 CO 0.26 -2.65 0.11 1.03 -1.54 0.00 0.00 175.55 172.75 3hx0 s ARG 568 N 3.71 3.73 0.40 4.97 0.52 -1.26 -5.07 118.95 125.95 3hx0 s ARG 568 Ca 0.63 -0.44 -0.26 0.00 -0.52 0.00 0.00 55.73 55.14 3hx0 s ARG 568 Cb -0.27 -3.44 -0.11 0.00 0.52 0.00 0.00 34.95 31.66 3hx0 s ARG 568 CO 0.21 -0.20 1.22 0.39 0.02 0.00 0.00 175.30 176.95 3hx0 n GLU 569 N 4.97 1.86 -0.52 3.54 -0.58 -1.26 -4.79 120.64 123.86 3hx0 n GLU 569 Ca -0.15 0.66 0.44 0.00 -0.42 0.00 0.00 57.16 57.69 3hx0 n GLU 569 Cb 0.51 -2.29 0.75 0.00 -0.57 0.00 0.00 31.44 29.84 3hx0 n GLU 569 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3hx0 h PRO 570 N 2.10 0.00 -0.43 3.49 0.11 -1.95 0.12 132.00 135.44 3hx0 h PRO 570 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3hx0 h PRO 570 Cb 1.30 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 3hx0 h PRO 570 CO 0.60 0.00 0.23 0.00 -0.21 0.00 0.00 178.00 178.62 3hx0 h ALA 571 N 1.05 0.55 -0.71 -0.75 0.00 -1.84 -2.94 119.26 114.62 3hx0 h ALA 571 Ca 0.76 -0.09 -0.52 0.00 0.00 0.00 0.00 54.91 55.06 3hx0 h ALA 571 Cb 3.20 -0.17 -0.21 0.00 0.00 0.00 0.00 17.79 20.61 3hx0 h ALA 571 CO -0.01 0.08 0.63 0.39 0.00 0.00 0.00 179.25 180.35 3hx0 n GLU 572 N -4.70 2.30 -0.59 0.00 1.02 0.43 -4.20 120.64 114.89 3hx0 n GLU 572 Ca 0.01 -2.47 0.06 0.00 -0.02 0.00 0.00 57.16 54.74 3hx0 n GLU 572 Cb 0.08 -2.00 0.19 0.00 -0.02 0.00 0.00 31.44 29.70 3hx0 n GLU 572 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hx0 n ARG 573 N -0.06 1.48 0.17 3.49 1.74 -1.11 -4.63 116.66 117.74 3hx0 n ARG 573 Ca 0.47 -3.17 0.12 0.00 -0.77 0.00 0.00 57.85 54.50 3hx0 n ARG 573 Cb 0.56 -1.53 0.19 0.00 -1.02 0.00 0.00 32.46 30.66 3hx0 n ARG 573 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3hx0 h ASP 574 N 0.90 0.00 0.00 0.55 3.45 -1.82 0.26 116.42 119.76 3hx0 h ASP 574 Ca -0.01 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.43 3hx0 h ASP 574 Cb 1.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.82 3hx0 h ASP 574 CO 0.00 0.01 0.00 -2.67 -1.57 0.00 0.00 179.24 175.01