#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iad h GLU 255 N 0.00 0.17 -0.52 2.61 4.81 -2.00 0.28 114.58 119.93 3iad h GLU 255 Ca 0.00 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 3iad h GLU 255 Cb 0.00 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.25 3iad h GLU 255 CO 0.00 0.11 -0.51 0.38 -0.73 0.00 0.00 179.01 178.27 3iad h ASP 256 N 0.18 -1.73 0.31 1.04 2.03 -2.01 -2.07 116.42 114.18 3iad h ASP 256 Ca 0.62 0.25 -0.05 0.00 -0.73 0.00 0.00 57.03 57.12 3iad h ASP 256 Cb 2.02 0.74 -0.01 0.00 -0.83 0.00 0.00 39.33 41.26 3iad h ASP 256 CO -0.18 -0.36 -0.24 0.58 -1.03 0.00 0.00 179.24 178.01 3iad h VAL 257 N -0.30 1.03 0.39 4.15 2.07 -0.89 -3.09 116.25 119.61 3iad h VAL 257 Ca 0.12 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 3iad h VAL 257 Cb 0.57 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3iad h VAL 257 CO -0.66 0.23 -0.19 0.25 0.02 0.00 0.00 177.57 177.23 3iad h LEU 258 N 0.00 -0.44 -1.23 2.57 5.85 -1.07 -2.23 115.31 118.76 3iad h LEU 258 Ca -0.00 -0.13 0.24 0.00 0.84 0.00 0.00 57.88 58.83 3iad h LEU 258 Cb 0.46 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.50 3iad h LEU 258 CO 0.03 -0.06 0.64 0.00 -0.34 0.00 0.00 178.44 178.70 3iad h ALA 259 N -0.45 2.03 -0.46 1.25 0.00 -1.34 0.71 119.26 121.00 3iad h ALA 259 Ca -0.05 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3iad h ALA 259 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3iad h ALA 259 CO 0.09 -0.44 -0.13 -0.22 0.00 0.00 0.00 179.25 178.55 3iad h LYS 260 N 0.50 0.90 -0.46 0.00 3.64 -1.46 -2.95 116.57 116.74 3iad h LYS 260 Ca 0.59 -0.35 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 3iad h LYS 260 Cb 1.31 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 3iad h LYS 260 CO -0.34 1.00 0.12 0.93 -2.27 0.00 0.00 179.45 178.89 3iad h GLU 261 N 0.74 0.68 0.00 1.90 4.39 -0.28 -2.69 114.58 119.32 3iad h GLU 261 Ca 0.11 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3iad h GLU 261 Cb 0.69 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3iad h GLU 261 CO 0.05 0.61 0.00 1.28 -1.16 0.00 0.00 179.01 179.79 3iad n LEU 262 N -4.31 0.00 0.16 1.33 4.77 -0.46 -1.66 117.00 116.84 3iad n LEU 262 Ca 0.03 0.36 0.13 0.00 -0.03 0.00 0.00 56.01 56.50 3iad n LEU 262 Cb 0.20 -0.36 0.53 0.00 -2.33 0.00 0.00 43.42 41.46 3iad n LEU 262 CO 0.39 -0.18 0.89 -0.33 -1.33 0.00 0.00 177.39 176.82 3iad h GLU 263 N 0.00 0.00 -0.61 3.23 5.08 -1.43 -2.96 114.58 117.89 3iad h GLU 263 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iad h GLU 263 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3iad h GLU 263 CO 0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 3iad n ASP 264 N -2.45 3.46 0.26 1.42 8.00 -0.66 -4.49 116.55 122.10 3iad n ASP 264 Ca 0.02 -2.33 0.10 0.00 0.71 0.00 0.00 54.79 53.30 3iad n ASP 264 Cb 0.26 -0.49 0.71 0.00 -0.02 0.00 0.00 41.12 41.58 3iad n ASP 264 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3iad h VAL 265 N 2.80 0.80 -0.32 2.53 3.04 -1.71 -2.11 116.25 121.27 3iad h VAL 265 Ca 0.00 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 3iad h VAL 265 Cb 1.10 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.55 3iad h VAL 265 CO 0.17 0.08 0.00 0.59 -1.01 0.00 0.00 177.57 177.40 3iad n ASN 266 N -4.07 1.93 -4.22 3.17 3.02 -1.26 -4.79 115.26 109.04 3iad n ASN 266 Ca -0.03 -2.05 -0.30 0.00 -0.03 0.00 0.00 54.58 52.17 3iad n ASN 266 Cb 0.16 -0.26 -0.16 0.00 -0.61 0.00 0.00 39.78 38.90 3iad n ASN 266 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3iad s LYS 267 N -1.59 2.44 0.35 3.52 1.02 -0.79 -4.89 119.74 119.80 3iad s LYS 267 Ca 0.22 -0.81 -0.29 0.00 0.02 0.00 0.00 55.97 55.11 3iad s LYS 267 Cb 0.12 -2.02 -0.11 0.00 -0.52 0.00 0.00 37.83 35.30 3iad s LYS 267 CO 0.14 0.29 1.50 1.87 -0.92 0.00 0.00 175.35 178.23 3iad n TRP 268 N 3.14 2.88 -0.70 3.18 -0.00 -1.26 -2.87 117.44 121.82 3iad n TRP 268 Ca -0.18 0.41 0.00 0.00 -0.00 0.00 0.00 57.50 57.73 3iad n TRP 268 Cb 0.52 -2.54 0.00 0.00 -0.00 0.00 0.00 31.31 29.30 3iad n TRP 268 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3iad n GLY 269 N 0.94 0.57 3.59 5.87 0.00 -1.26 -5.00 105.19 109.91 3iad n GLY 269 Ca 0.04 -0.72 -0.47 0.00 0.00 0.00 0.00 46.02 44.87 3iad n GLY 269 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iad n LEU 270 N 0.00 1.82 -4.20 0.99 7.94 -1.14 -4.86 117.00 117.55 3iad n LEU 270 Ca 0.00 1.16 -0.40 0.00 -1.11 0.00 0.00 56.01 55.65 3iad n LEU 270 Cb 0.00 -1.27 -0.02 0.00 0.53 0.00 0.00 43.42 42.66 3iad n LEU 270 CO 0.00 -1.25 2.14 1.41 -1.11 0.00 0.00 177.39 178.58 3iad n HIS 271 N 1.01 3.68 0.01 1.96 8.25 -1.26 -4.78 115.22 124.10 3iad n HIS 271 Ca 0.12 -2.54 -0.05 0.00 -0.26 0.00 0.00 57.72 54.99 3iad n HIS 271 Cb 0.28 -2.50 0.15 0.00 1.12 0.00 0.00 29.99 29.05 3iad n HIS 271 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3iad h VAL 272 N 5.05 1.29 -0.50 1.59 3.04 -1.99 -1.98 116.25 122.75 3iad h VAL 272 Ca 0.45 -1.45 -0.05 0.00 -1.01 0.00 0.00 66.70 64.63 3iad h VAL 272 Cb 0.79 1.49 -0.02 0.00 -2.01 0.00 0.00 31.29 31.53 3iad h VAL 272 CO 1.62 0.46 0.10 -0.26 -1.01 0.00 0.00 177.57 178.47 3iad h PHE 273 N 0.42 0.86 -0.85 3.17 0.04 -1.96 -0.44 116.94 118.19 3iad h PHE 273 Ca 0.05 -0.11 0.02 0.00 2.80 0.00 0.00 57.97 60.73 3iad h PHE 273 Cb 0.81 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 38.67 3iad h PHE 273 CO 0.03 0.78 0.56 -0.09 -0.60 0.00 0.00 178.31 178.99 3iad h ARG 274 N 0.69 1.07 -0.46 1.51 9.65 -1.92 -2.22 114.38 122.71 3iad h ARG 274 Ca 0.15 -0.06 -0.10 0.00 -1.10 0.00 0.00 59.98 58.87 3iad h ARG 274 Cb 0.37 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 3iad h ARG 274 CO 0.01 0.71 -0.10 0.82 2.80 0.00 0.00 179.97 184.20 3iad h ILE 275 N 1.11 1.26 -0.96 1.20 2.04 -0.83 -0.41 117.51 120.92 3iad h ILE 275 Ca 0.32 -1.19 0.07 0.00 1.00 0.00 0.00 64.86 65.06 3iad h ILE 275 Cb -0.05 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 3iad h ILE 275 CO -0.08 0.41 0.61 0.00 0.00 0.00 0.00 178.15 179.09 3iad h ALA 276 N 1.12 1.33 -0.07 1.87 0.00 -0.63 -2.13 119.26 120.75 3iad h ALA 276 Ca 0.13 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 3iad h ALA 276 Cb 0.60 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3iad h ALA 276 CO 0.04 0.39 -0.54 0.93 0.00 0.00 0.00 179.25 180.07 3iad h GLU 277 N 1.11 0.49 0.00 0.00 5.08 -0.92 0.41 114.58 120.75 3iad h GLU 277 Ca 0.42 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3iad h GLU 277 Cb 0.18 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3iad h GLU 277 CO -0.18 1.07 0.00 -0.07 -1.00 0.00 0.00 179.01 178.84 3iad h LEU 278 N 0.06 0.00 -2.24 1.33 3.38 -0.96 -3.10 115.31 113.79 3iad h LEU 278 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3iad h LEU 278 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3iad h LEU 278 CO 0.11 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.10 3iad n SER 279 N -2.52 3.12 -2.42 -0.43 3.41 -0.81 -4.70 113.62 109.27 3iad n SER 279 Ca 0.02 -1.91 -0.13 0.00 -0.26 0.00 0.00 58.87 56.59 3iad n SER 279 Cb 0.29 -0.19 0.05 0.00 -0.26 0.00 0.00 64.21 64.10 3iad n SER 279 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iad n GLY 280 N 1.22 0.01 3.22 5.00 0.00 -1.17 -3.53 105.19 109.93 3iad n GLY 280 Ca 0.16 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 3iad n GLY 280 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3iad n ASN 281 N -1.57 -5.06 -2.27 1.61 5.15 0.14 -4.97 115.26 108.29 3iad n ASN 281 Ca -0.05 -0.46 -0.22 0.00 -0.60 0.00 0.00 54.58 53.25 3iad n ASN 281 Cb 0.56 -4.31 0.02 0.00 -0.53 0.00 0.00 39.78 35.52 3iad n ASN 281 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3iad n ARG 282 N -4.16 3.25 -0.25 1.20 5.12 -1.23 -4.91 116.66 115.69 3iad n ARG 282 Ca -0.03 -4.16 -0.02 0.00 -1.93 0.00 0.00 57.85 51.70 3iad n ARG 282 Cb 0.57 -2.15 0.16 0.00 -1.16 0.00 0.00 32.46 29.87 3iad n ARG 282 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3iad h PRO 283 N 2.38 1.07 -0.04 5.56 0.13 -1.83 -2.41 132.00 136.86 3iad h PRO 283 Ca 0.28 -0.13 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3iad h PRO 283 Cb 1.31 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 3iad h PRO 283 CO 0.72 0.80 0.02 1.25 -0.23 0.00 0.00 178.00 180.56 3iad h LEU 284 N 1.07 0.05 -0.21 1.56 5.85 -1.91 -1.67 115.31 120.05 3iad h LEU 284 Ca 0.27 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3iad h LEU 284 Cb 0.06 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3iad h LEU 284 CO -0.04 0.16 0.09 0.74 -0.34 0.00 0.00 178.44 179.05 3iad h THR 285 N -0.06 1.15 0.00 1.05 2.02 -1.77 0.13 112.91 115.42 3iad h THR 285 Ca 0.01 -0.43 -0.10 0.00 0.77 0.00 0.00 66.41 66.66 3iad h THR 285 Cb 0.12 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 3iad h THR 285 CO -0.00 0.14 -0.47 -0.37 0.37 0.00 0.00 175.52 175.19 3iad h VAL 286 N 0.20 0.94 0.24 3.16 -1.51 -1.49 -1.71 116.25 116.08 3iad h VAL 286 Ca 0.07 -1.90 -0.34 0.00 -1.23 0.00 0.00 66.70 63.30 3iad h VAL 286 Cb 0.14 2.16 0.03 0.00 -2.13 0.00 0.00 31.29 31.50 3iad h VAL 286 CO -0.01 0.46 -1.52 0.40 -1.23 0.00 0.00 177.57 175.67 3iad h ILE 287 N 0.00 1.22 -0.53 7.19 2.04 -1.12 -2.69 117.51 123.62 3iad h ILE 287 Ca -0.00 -2.66 -0.02 0.00 1.00 0.00 0.00 64.86 63.18 3iad h ILE 287 Cb 1.13 3.00 -0.02 0.00 -0.74 0.00 0.00 36.82 40.18 3iad h ILE 287 CO 0.06 0.82 0.26 0.24 0.00 0.00 0.00 178.15 179.53 3iad h MET 288 N 0.12 0.76 0.13 2.37 2.86 -0.79 -2.03 114.93 118.36 3iad h MET 288 Ca -0.27 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 3iad h MET 288 Cb 2.14 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.66 3iad h MET 288 CO 0.25 0.62 -0.06 1.25 1.06 0.00 0.00 176.91 180.04 3iad h HIS 289 N 0.71 -0.16 -0.40 -0.22 -0.00 -1.39 0.15 115.15 113.84 3iad h HIS 289 Ca 0.18 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.61 3iad h HIS 289 Cb 0.11 0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 27.52 3iad h HIS 289 CO -0.01 -0.06 0.10 1.15 -0.00 0.00 0.00 177.93 179.12 3iad h THR 290 N -0.22 0.81 -0.07 6.26 2.02 -1.47 0.16 112.91 120.40 3iad h THR 290 Ca -0.02 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.09 3iad h THR 290 Cb 0.18 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3iad h THR 290 CO 0.03 0.04 0.01 0.40 0.37 0.00 0.00 175.52 176.38 3iad h ILE 291 N 0.23 0.97 -0.45 3.11 2.04 -1.16 -0.74 117.51 121.51 3iad h ILE 291 Ca 0.19 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 66.04 3iad h ILE 291 Cb 0.22 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3iad h ILE 291 CO -0.24 0.01 0.27 -0.26 0.00 0.00 0.00 178.15 177.93 3iad h PHE 292 N 0.05 0.58 0.29 1.37 -1.00 -0.24 -2.01 116.94 115.97 3iad h PHE 292 Ca 0.03 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 3iad h PHE 292 Cb 0.02 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.39 3iad h PHE 292 CO -0.10 0.39 -0.14 1.96 -1.61 0.00 0.00 178.31 178.81 3iad h GLN 293 N 0.61 -0.37 0.00 1.51 1.08 -0.54 0.12 115.11 117.52 3iad h GLN 293 Ca 0.16 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 3iad h GLN 293 Cb -0.03 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3iad h GLN 293 CO -0.03 -0.05 0.00 1.05 -0.95 0.00 0.00 178.83 178.85 3iad h GLU 294 N -0.96 0.00 -0.01 1.46 4.11 -1.10 0.23 114.58 118.33 3iad h GLU 294 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 3iad h GLU 294 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3iad h GLU 294 CO 0.06 0.00 -0.21 0.54 0.07 0.00 0.00 179.01 179.47 3iad n ARG 295 N -3.07 0.76 -2.44 1.06 1.74 -0.76 -4.96 116.66 108.99 3iad n ARG 295 Ca -0.00 -0.39 -0.14 0.00 -0.77 0.00 0.00 57.85 56.54 3iad n ARG 295 Cb 0.25 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 3iad n ARG 295 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3iad n ASP 296 N -0.78 -4.40 0.20 0.55 2.03 0.82 -4.92 116.55 110.07 3iad n ASP 296 Ca 0.13 -0.08 0.14 0.00 0.52 0.00 0.00 54.79 55.50 3iad n ASP 296 Cb 0.33 -3.46 0.45 0.00 -0.72 0.00 0.00 41.12 37.71 3iad n ASP 296 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3iad h LEU 297 N -0.33 0.00 -0.04 -2.67 3.38 -1.00 -2.71 115.31 111.95 3iad h LEU 297 Ca -0.34 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 3iad h LEU 297 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3iad h LEU 297 CO 0.39 0.00 -0.20 -0.07 0.09 0.00 0.00 178.44 178.65 3iad h LEU 298 N 0.00 0.24 -0.03 1.67 4.07 -1.87 -2.77 115.31 116.62 3iad h LEU 298 Ca 0.00 -0.67 -0.01 0.00 0.08 0.00 0.00 57.88 57.29 3iad h LEU 298 Cb 0.67 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.34 3iad h LEU 298 CO 0.00 0.87 -0.01 0.11 -1.08 0.00 0.00 178.44 178.33 3iad h LYS 299 N -0.37 0.06 -0.91 1.13 1.57 -1.86 0.24 116.57 116.43 3iad h LYS 299 Ca -0.01 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.87 3iad h LYS 299 Cb 0.87 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.09 3iad h LYS 299 CO 0.04 0.41 0.54 1.15 -0.57 0.00 0.00 179.45 181.02 3iad h THR 300 N -0.30 0.86 -0.28 -0.16 2.02 -1.59 -2.37 112.91 111.09 3iad h THR 300 Ca 0.01 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3iad h THR 300 Cb 0.39 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3iad h THR 300 CO 0.00 0.15 0.00 0.49 0.37 0.00 0.00 175.52 176.54 3iad n PHE 301 N -4.72 0.55 -3.86 3.16 3.72 -1.04 -5.00 117.46 110.26 3iad n PHE 301 Ca 0.17 -0.63 -0.24 0.00 -0.05 0.00 0.00 57.45 56.70 3iad n PHE 301 Cb 0.36 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 3iad n PHE 301 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3iad n LYS 302 N 0.06 -4.05 -3.12 -1.08 5.02 0.62 -4.58 118.16 111.03 3iad n LYS 302 Ca 0.14 0.50 -0.41 0.00 -2.02 0.00 0.00 58.31 56.51 3iad n LYS 302 Cb 0.55 -4.85 -0.07 0.00 -0.02 0.00 0.00 35.03 30.64 3iad n LYS 302 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3iad s ILE 303 N -3.79 4.94 0.29 -0.18 1.01 0.15 -4.64 121.20 118.98 3iad s ILE 303 Ca 0.06 0.84 -0.30 0.00 0.00 0.00 0.00 60.65 61.25 3iad s ILE 303 Cb -0.03 -4.00 -0.11 0.00 0.01 0.00 0.00 42.46 38.34 3iad s ILE 303 CO 0.86 -0.14 1.48 -2.84 0.00 0.00 0.00 174.94 174.30 3iad s PRO 304 N 2.60 4.21 0.21 2.79 0.02 -1.26 -4.78 135.00 138.79 3iad s PRO 304 Ca 0.25 2.41 -0.09 0.00 0.02 0.00 0.00 61.00 63.59 3iad s PRO 304 Cb -0.15 -3.06 0.17 0.00 0.02 0.00 0.00 34.50 31.48 3iad s PRO 304 CO 0.12 -0.48 1.87 -0.24 -0.33 0.00 0.00 177.00 177.94 3iad h VAL 305 N 3.37 1.22 -0.53 3.83 3.04 -1.96 -1.70 116.25 123.52 3iad h VAL 305 Ca -0.47 -0.45 -0.03 0.00 -1.01 0.00 0.00 66.70 64.74 3iad h VAL 305 Cb 1.22 0.09 -0.03 0.00 -2.01 0.00 0.00 31.29 30.57 3iad h VAL 305 CO 0.75 0.22 0.20 -2.24 -1.01 0.00 0.00 177.57 175.50 3iad h ASP 306 N 1.08 0.69 -0.32 3.17 -0.00 -1.97 -1.98 116.42 117.09 3iad h ASP 306 Ca 0.29 -0.08 -0.15 0.00 -0.00 0.00 0.00 57.03 57.08 3iad h ASP 306 Cb -0.07 -0.18 -0.00 0.00 -0.00 0.00 0.00 39.33 39.08 3iad h ASP 306 CO -0.06 0.63 -0.39 0.74 -0.00 0.00 0.00 179.24 180.16 3iad h THR 307 N 0.75 1.29 -0.13 1.15 2.02 -1.60 -1.81 112.91 114.57 3iad h THR 307 Ca 0.18 -1.57 0.01 0.00 0.77 0.00 0.00 66.41 65.80 3iad h THR 307 Cb 0.16 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 3iad h THR 307 CO -0.02 0.51 0.05 0.25 0.37 0.00 0.00 175.52 176.69 3iad h LEU 308 N 0.60 0.06 -0.26 2.58 5.85 -1.12 -1.30 115.31 121.72 3iad h LEU 308 Ca 0.04 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3iad h LEU 308 Cb 0.98 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3iad h LEU 308 CO 0.09 0.06 0.12 0.40 -0.34 0.00 0.00 178.44 178.77 3iad h ILE 309 N 0.12 1.16 -0.56 4.05 2.04 -1.33 -0.01 117.51 122.98 3iad h ILE 309 Ca 0.06 -0.47 0.06 0.00 1.00 0.00 0.00 64.86 65.50 3iad h ILE 309 Cb 0.03 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 3iad h ILE 309 CO -0.05 0.16 0.26 0.74 0.00 0.00 0.00 178.15 179.26 3iad h THR 310 N 0.28 0.91 -0.48 -0.27 2.02 -1.30 0.10 112.91 114.18 3iad h THR 310 Ca 0.09 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.04 3iad h THR 310 Cb 0.15 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 3iad h THR 310 CO -0.01 0.09 0.06 0.22 0.37 0.00 0.00 175.52 176.25 3iad h TYR 311 N 0.50 0.86 -0.42 3.16 3.20 -0.86 -0.34 116.97 123.07 3iad h TYR 311 Ca 0.26 -0.13 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 3iad h TYR 311 Cb 0.21 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 3iad h TYR 311 CO -0.12 0.80 0.12 -0.07 -1.64 0.00 0.00 178.16 177.25 3iad h LEU 312 N 0.67 0.61 -0.64 2.82 3.38 -0.57 0.21 115.31 121.78 3iad h LEU 312 Ca 0.14 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3iad h LEU 312 Cb 0.42 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3iad h LEU 312 CO 0.01 0.67 0.39 0.24 0.09 0.00 0.00 178.44 179.84 3iad h MET 313 N 0.53 0.87 0.00 1.13 2.86 -0.91 0.26 114.93 119.68 3iad h MET 313 Ca 0.13 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3iad h MET 313 Cb 0.28 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3iad h MET 313 CO -0.00 0.62 -0.00 1.15 1.06 0.00 0.00 176.91 179.73 3iad h THR 314 N 0.87 1.11 -0.85 2.22 2.02 -0.60 -0.82 112.91 116.85 3iad h THR 314 Ca 0.23 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3iad h THR 314 Cb -0.03 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 3iad h THR 314 CO -0.04 0.09 0.54 0.25 0.37 0.00 0.00 175.52 176.73 3iad h LEU 315 N -0.15 1.00 -0.65 2.58 5.85 -0.53 -2.86 115.31 120.55 3iad h LEU 315 Ca -0.00 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 3iad h LEU 315 Cb 0.15 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3iad h LEU 315 CO 0.00 0.74 0.07 -0.08 -0.34 0.00 0.00 178.44 178.83 3iad h GLU 316 N 1.16 1.10 0.00 1.25 4.81 -0.75 -2.52 114.58 119.63 3iad h GLU 316 Ca 0.31 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3iad h GLU 316 Cb -0.10 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 3iad h GLU 316 CO -0.06 1.03 -0.01 -0.44 -0.73 0.00 0.00 179.01 178.79 3iad h ASP 317 N 1.02 0.00 -0.11 1.04 3.45 -0.93 -1.67 116.42 119.22 3iad h ASP 317 Ca 0.19 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.65 3iad h ASP 317 Cb 0.49 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 3iad h ASP 317 CO 0.02 0.01 0.00 1.41 -1.57 0.00 0.00 179.24 179.11 3iad n HIS 318 N -3.20 0.13 -2.98 4.55 8.25 -0.95 -4.74 115.22 116.29 3iad n HIS 318 Ca -0.02 -0.07 -0.40 0.00 -0.26 0.00 0.00 57.72 56.97 3iad n HIS 318 Cb 0.15 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.21 3iad n HIS 318 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3iad s TYR 319 N -1.87 3.70 -0.12 4.41 1.51 -0.63 -1.30 117.35 123.05 3iad s TYR 319 Ca 0.35 1.44 -0.29 0.00 -1.01 0.00 0.00 57.07 57.55 3iad s TYR 319 Cb 0.19 -2.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.19 3iad s TYR 319 CO 0.30 0.21 1.19 -1.01 -1.11 0.00 0.00 175.55 175.13 3iad s HIS 320 N 0.20 3.10 0.30 2.71 3.76 -1.26 -4.74 115.29 119.36 3iad s HIS 320 Ca 0.39 1.20 0.16 0.00 -0.15 0.00 0.00 55.06 56.66 3iad s HIS 320 Cb -0.20 -3.41 0.74 0.00 1.11 0.00 0.00 32.58 30.82 3iad s HIS 320 CO 0.22 -1.27 1.79 0.00 -0.85 0.00 0.00 174.74 174.64 3iad h ALA 321 N 7.71 1.18 -0.08 -1.40 0.00 -1.94 -3.13 119.26 121.60 3iad h ALA 321 Ca -0.29 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3iad h ALA 321 Cb 1.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3iad h ALA 321 CO 0.92 0.48 0.00 -0.40 0.00 0.00 0.00 179.25 180.25 3iad n ASP 322 N -3.81 1.03 -4.49 0.00 5.75 -1.26 -4.76 116.55 109.01 3iad n ASP 322 Ca -0.01 -2.06 -0.33 0.00 -0.01 0.00 0.00 54.79 52.38 3iad n ASP 322 Cb 0.45 -0.28 -0.12 0.00 -1.03 0.00 0.00 41.12 40.13 3iad n ASP 322 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3iad s VAL 323 N -1.56 3.54 0.12 2.12 1.01 -1.18 -5.05 120.40 119.39 3iad s VAL 323 Ca 0.07 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 3iad s VAL 323 Cb 0.04 -2.48 -0.16 0.00 0.00 0.00 0.00 36.38 33.79 3iad s VAL 323 CO 0.03 0.55 1.32 0.00 0.00 0.00 0.00 175.10 177.00 3iad h ALA 324 N 6.05 0.36 0.00 5.51 0.00 -1.86 -3.42 119.26 125.90 3iad h ALA 324 Ca -0.37 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 53.91 3iad h ALA 324 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3iad h ALA 324 CO 0.56 0.71 -0.44 0.98 0.00 0.00 0.00 179.25 181.06 3iad n TYR 325 N -3.89 0.00 -0.91 0.00 9.36 -1.25 -4.80 117.16 115.67 3iad n TYR 325 Ca -0.07 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 60.88 3iad n TYR 325 Cb 0.76 -0.22 -0.03 0.00 -0.63 0.00 0.00 39.34 39.22 3iad n TYR 325 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3iad n HIS 326 N -3.66 1.61 -4.03 2.98 8.25 -1.26 -4.14 115.22 114.97 3iad n HIS 326 Ca -0.06 -2.26 -0.02 0.00 -0.26 0.00 0.00 57.72 55.12 3iad n HIS 326 Cb 0.23 -1.90 -0.00 0.00 1.12 0.00 0.00 29.99 29.44 3iad n HIS 326 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3iad n ASN 327 N 3.93 1.72 0.19 0.41 0.23 -1.26 -4.54 115.26 115.94 3iad n ASN 327 Ca 0.54 -1.11 0.07 0.00 -0.53 0.00 0.00 54.58 53.55 3iad n ASN 327 Cb 0.19 0.03 0.56 0.00 -2.08 0.00 0.00 39.78 38.48 3iad n ASN 327 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3iad h ASN 328 N 0.07 0.11 -0.40 0.53 -1.07 -1.85 -1.09 115.58 111.88 3iad h ASN 328 Ca -0.02 -0.01 -0.04 0.00 0.07 0.00 0.00 56.30 56.31 3iad h ASN 328 Cb 0.06 -0.03 -0.02 0.00 -2.07 0.00 0.00 38.32 36.27 3iad h ASN 328 CO 0.03 0.11 0.10 0.40 0.07 0.00 0.00 177.43 178.15 3iad h ILE 329 N 0.13 1.22 -0.73 6.14 2.04 -1.96 0.23 117.51 124.58 3iad h ILE 329 Ca 0.03 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 3iad h ILE 329 Cb 0.05 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3iad h ILE 329 CO -0.00 0.27 0.39 -0.74 0.00 0.00 0.00 178.15 178.06 3iad h HIS 330 N 0.50 1.01 -0.05 1.37 2.76 -1.60 -0.27 115.15 118.86 3iad h HIS 330 Ca 0.12 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.30 3iad h HIS 330 Cb 0.30 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 28.89 3iad h HIS 330 CO 0.02 0.72 -0.20 0.00 -1.30 0.00 0.00 177.93 177.17 3iad h ALA 331 N 1.20 -0.22 -0.51 5.26 0.00 -0.69 -1.24 119.26 123.06 3iad h ALA 331 Ca 0.26 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.23 3iad h ALA 331 Cb 0.05 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3iad h ALA 331 CO -0.04 -0.68 0.25 0.00 0.00 0.00 0.00 179.25 178.78 3iad h ALA 332 N 0.64 0.66 0.26 0.00 0.00 -0.32 -2.02 119.26 118.48 3iad h ALA 332 Ca 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3iad h ALA 332 Cb 0.40 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3iad h ALA 332 CO -0.22 -0.11 -0.17 0.22 0.00 0.00 0.00 179.25 178.97 3iad h ASP 333 N 0.48 -0.42 -0.76 0.00 3.58 -0.75 -0.96 116.42 117.60 3iad h ASP 333 Ca 0.23 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.71 3iad h ASP 333 Cb 0.16 0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.30 3iad h ASP 333 CO -0.18 -0.27 0.50 0.58 -2.88 0.00 0.00 179.24 176.99 3iad h VAL 334 N -0.42 1.20 0.01 2.25 2.07 -1.05 0.53 116.25 120.84 3iad h VAL 334 Ca -0.02 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.14 3iad h VAL 334 Cb 0.35 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 3iad h VAL 334 CO 0.02 0.19 -0.09 0.58 0.02 0.00 0.00 177.57 178.30 3iad h VAL 335 N 1.03 0.78 -0.56 2.57 2.07 -1.22 -1.37 116.25 119.56 3iad h VAL 335 Ca 0.28 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.73 3iad h VAL 335 Cb -0.11 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3iad h VAL 335 CO -0.06 0.00 0.08 -0.61 0.02 0.00 0.00 177.57 177.00 3iad h GLN 336 N -0.16 0.89 -0.27 1.57 -0.00 -0.60 -0.13 115.11 116.41 3iad h GLN 336 Ca 0.03 -0.22 -0.12 0.00 -0.00 0.00 0.00 58.65 58.35 3iad h GLN 336 Cb 0.20 -0.12 -0.00 0.00 0.00 0.00 0.00 27.48 27.56 3iad h GLN 336 CO -0.08 0.84 -0.29 0.77 0.00 0.00 0.00 178.83 180.06 3iad h SER 337 N 0.84 0.72 -0.68 -0.69 0.02 -0.82 -1.39 113.55 111.56 3iad h SER 337 Ca 0.17 -0.48 0.07 0.00 -0.84 0.00 0.00 61.79 60.72 3iad h SER 337 Cb 0.39 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.66 3iad h SER 337 CO 0.01 1.05 0.35 0.74 -1.14 0.00 0.00 176.83 177.85 3iad h THR 338 N 0.40 0.91 -1.01 -2.27 2.02 -1.02 -0.61 112.91 111.32 3iad h THR 338 Ca 0.04 -0.22 0.04 0.00 0.77 0.00 0.00 66.41 67.05 3iad h THR 338 Cb 0.86 0.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.43 3iad h THR 338 CO 0.07 0.12 0.66 -0.74 0.37 0.00 0.00 175.52 175.99 3iad h HIS 339 N 0.63 1.23 -0.24 3.16 -0.00 -0.67 0.16 115.15 119.42 3iad h HIS 339 Ca 0.32 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.63 3iad h HIS 339 Cb 0.27 -0.41 -0.00 0.00 -0.00 0.00 0.00 27.41 27.26 3iad h HIS 339 CO -0.09 0.70 -0.21 0.28 -0.00 0.00 0.00 177.93 178.60 3iad h VAL 340 N 1.26 1.31 -0.64 5.26 2.07 -0.72 -2.86 116.25 121.93 3iad h VAL 340 Ca 0.41 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 3iad h VAL 340 Cb 0.03 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3iad h VAL 340 CO -0.13 0.42 0.28 -0.07 0.02 0.00 0.00 177.57 178.08 3iad h LEU 341 N 0.28 0.85 -1.34 2.57 3.38 -0.51 -1.31 115.31 119.22 3iad h LEU 341 Ca 0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3iad h LEU 341 Cb 0.76 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3iad h LEU 341 CO 0.05 0.74 0.15 -0.07 0.09 0.00 0.00 178.44 179.41 3iad h LEU 342 N 0.92 0.54 -0.21 1.67 3.38 -0.72 -3.04 115.31 117.85 3iad h LEU 342 Ca 0.22 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3iad h LEU 342 Cb 0.15 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3iad h LEU 342 CO -0.02 0.51 0.00 -1.20 0.09 0.00 0.00 178.44 177.82 3iad n SER 343 N -4.36 0.33 -4.76 -0.43 7.64 -0.50 -4.73 113.62 106.80 3iad n SER 343 Ca 0.03 -1.31 -0.41 0.00 1.01 0.00 0.00 58.87 58.19 3iad n SER 343 Cb 0.16 -0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 63.33 3iad n SER 343 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3iad s THR 344 N -1.98 2.47 0.35 0.44 -1.32 -1.15 -4.90 115.64 109.54 3iad s THR 344 Ca 0.36 0.43 0.10 0.00 -1.21 0.00 0.00 61.69 61.38 3iad s THR 344 Cb 0.17 -3.27 0.33 0.00 -1.51 0.00 0.00 72.50 68.22 3iad s THR 344 CO 0.29 0.09 1.82 -0.65 -2.21 0.00 0.00 174.62 173.95 3iad h PRO 345 N 4.01 0.63 0.00 7.08 0.11 -1.93 -0.25 132.00 141.66 3iad h PRO 345 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3iad h PRO 345 Cb 1.23 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3iad h PRO 345 CO 0.71 0.42 0.06 0.00 -0.21 0.00 0.00 178.00 178.98 3iad h ALA 346 N 1.62 1.06 -0.17 -0.75 0.00 -1.86 -2.61 119.26 116.55 3iad h ALA 346 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3iad h ALA 346 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3iad h ALA 346 CO -0.28 -0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.19 3iad n LEU 347 N -2.81 2.95 -4.73 0.00 4.77 -0.11 -1.26 117.00 115.81 3iad n LEU 347 Ca -0.02 -2.61 -0.42 0.00 -0.03 0.00 0.00 56.01 52.93 3iad n LEU 347 Cb 0.12 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 3iad n LEU 347 CO 0.16 0.66 1.17 -0.70 -1.33 0.00 0.00 177.39 177.36 3iad s GLU 348 N -2.08 4.23 0.00 3.23 2.12 -0.99 -2.31 118.70 122.90 3iad s GLU 348 Ca 0.28 2.35 0.00 0.00 0.36 0.00 0.00 54.97 57.95 3iad s GLU 348 Cb 0.21 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.48 3iad s GLU 348 CO 0.07 -0.52 0.00 0.00 -0.54 0.00 0.00 175.26 174.27 3iad n ALA 349 N 3.08 0.00 -0.02 6.30 0.00 -1.26 -4.85 120.51 123.76 3iad n ALA 349 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.41 3iad n ALA 349 Cb 0.39 -0.97 -0.09 0.00 0.00 0.00 0.00 19.45 18.78 3iad n ALA 349 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3iad h VAL 350 N 0.00 1.36 -3.21 0.00 2.07 -1.82 -3.45 116.25 111.21 3iad h VAL 350 Ca 0.00 -1.08 -0.57 0.00 0.82 0.00 0.00 66.70 65.87 3iad h VAL 350 Cb 0.21 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 3iad h VAL 350 CO 0.00 0.29 -0.27 -0.36 0.02 0.00 0.00 177.57 177.25 3iad s PHE 351 N -4.40 3.46 0.70 1.57 0.08 -1.26 -5.05 117.98 113.08 3iad s PHE 351 Ca -0.16 0.61 -0.11 0.00 0.12 0.00 0.00 56.93 57.39 3iad s PHE 351 Cb 0.02 -2.05 0.01 0.00 -0.57 0.00 0.00 43.02 40.43 3iad s PHE 351 CO 0.68 0.39 1.08 0.95 -0.10 0.00 0.00 175.22 178.21 3iad s THR 352 N -1.72 3.78 0.25 0.64 -4.23 -1.26 -4.89 115.64 108.20 3iad s THR 352 Ca 0.42 0.58 -0.06 0.00 -1.18 0.00 0.00 61.69 61.45 3iad s THR 352 Cb -0.12 -3.49 0.24 0.00 1.34 0.00 0.00 72.50 70.47 3iad s THR 352 CO 0.24 -0.75 1.91 0.44 -0.54 0.00 0.00 174.62 175.92 3iad h ASP 353 N -0.66 1.08 -0.86 3.99 3.32 -1.99 -0.61 116.42 120.69 3iad h ASP 353 Ca -0.45 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 3iad h ASP 353 Cb 1.24 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.48 3iad h ASP 353 CO 0.62 0.76 0.53 0.25 -1.72 0.00 0.00 179.24 179.68 3iad h LEU 354 N 1.27 1.04 -0.74 1.55 5.85 -1.99 0.11 115.31 122.39 3iad h LEU 354 Ca 0.37 -0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.89 3iad h LEU 354 Cb -0.09 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.67 3iad h LEU 354 CO -0.10 0.79 -0.52 -0.33 -0.34 0.00 0.00 178.44 177.95 3iad h GLU 355 N 1.19 0.29 -0.26 1.25 5.08 -1.69 -1.84 114.58 118.60 3iad h GLU 355 Ca 0.31 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 3iad h GLU 355 Cb -0.06 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3iad h GLU 355 CO -0.06 0.74 -0.13 0.82 -1.00 0.00 0.00 179.01 179.38 3iad h ILE 356 N 0.23 1.30 -0.67 3.13 2.04 -0.55 -2.08 117.51 120.90 3iad h ILE 356 Ca 0.01 -1.22 0.06 0.00 1.00 0.00 0.00 64.86 64.71 3iad h ILE 356 Cb 1.00 1.54 -0.06 0.00 -0.74 0.00 0.00 36.82 38.56 3iad h ILE 356 CO 0.08 0.38 0.36 0.25 0.00 0.00 0.00 178.15 179.23 3iad h LEU 357 N 0.28 0.53 -0.23 1.44 5.85 -0.69 -1.55 115.31 120.95 3iad h LEU 357 Ca 0.06 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 3iad h LEU 357 Cb 0.64 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3iad h LEU 357 CO 0.04 0.34 -0.08 0.00 -0.34 0.00 0.00 178.44 178.40 3iad h ALA 358 N 1.36 0.31 -0.55 1.25 0.00 -1.28 0.11 119.26 120.45 3iad h ALA 358 Ca 0.30 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3iad h ALA 358 Cb 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3iad h ALA 358 CO -0.19 0.13 0.36 0.00 0.00 0.00 0.00 179.25 179.55 3iad h ALA 359 N 0.73 0.70 -0.09 0.00 0.00 -1.21 0.33 119.26 119.73 3iad h ALA 359 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3iad h ALA 359 Cb 0.56 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3iad h ALA 359 CO 0.03 0.11 -0.02 0.82 0.00 0.00 0.00 179.25 180.19 3iad h ILE 360 N 0.72 1.29 -0.73 0.00 2.04 -1.20 -2.31 117.51 117.32 3iad h ILE 360 Ca 0.21 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 65.14 3iad h ILE 360 Cb -0.06 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 3iad h ILE 360 CO -0.06 0.26 0.48 0.15 0.00 0.00 0.00 178.15 178.99 3iad h PHE 361 N -0.15 0.92 -0.50 1.37 3.57 -0.59 -1.58 116.94 119.99 3iad h PHE 361 Ca 0.02 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.64 3iad h PHE 361 Cb 0.42 -0.31 -0.09 0.00 2.79 0.00 0.00 35.95 38.76 3iad h PHE 361 CO 0.05 0.58 -0.05 0.00 -2.23 0.00 0.00 178.31 176.66 3iad h ALA 362 N 1.27 0.42 -0.74 2.41 0.00 -0.29 -2.05 119.26 120.28 3iad h ALA 362 Ca 0.27 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 3iad h ALA 362 Cb -0.11 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3iad h ALA 362 CO -0.06 -0.41 0.33 0.77 0.00 0.00 0.00 179.25 179.88 3iad h SER 363 N 0.07 0.97 -0.58 0.00 0.02 -0.83 -1.56 113.55 111.63 3iad h SER 363 Ca 0.25 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3iad h SER 363 Cb 0.38 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 3iad h SER 363 CO -0.45 0.84 0.39 0.00 -1.14 0.00 0.00 176.83 176.47 3iad h ALA 364 N 1.30 0.74 -0.05 3.77 0.00 -0.62 -3.19 119.26 121.22 3iad h ALA 364 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3iad h ALA 364 Cb 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3iad h ALA 364 CO -0.03 0.18 0.00 0.44 0.00 0.00 0.00 179.25 179.84 3iad n ILE 365 N -4.68 0.03 0.30 0.00 -5.35 -0.95 -4.67 119.36 104.04 3iad n ILE 365 Ca 0.04 -0.49 0.18 0.00 -0.27 0.00 0.00 62.75 62.21 3iad n ILE 365 Cb 0.02 1.38 0.92 0.00 -1.74 0.00 0.00 39.64 40.22 3iad n ILE 365 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 3iad h HIS 366 N 4.49 0.00 0.00 4.28 2.07 -1.27 -2.17 115.15 122.55 3iad h HIS 366 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3iad h HIS 366 Cb 0.96 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.94 3iad h HIS 366 CO 0.01 0.04 -0.16 -0.25 -3.07 0.00 0.00 177.93 174.50 3iad n ASP 367 N -3.32 1.55 -4.74 3.10 8.00 -1.26 -4.84 116.55 115.03 3iad n ASP 367 Ca -0.02 -2.69 -0.42 0.00 0.71 0.00 0.00 54.79 52.38 3iad n ASP 367 Cb 0.18 -0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 40.92 3iad n ASP 367 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3iad s VAL 368 N -1.87 2.31 -0.99 2.53 0.11 -0.82 -2.33 120.40 119.34 3iad s VAL 368 Ca 0.21 0.25 -0.04 0.00 -2.93 0.00 0.00 61.98 59.47 3iad s VAL 368 Cb 0.18 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.87 3iad s VAL 368 CO 0.02 0.04 0.53 -0.67 -3.33 0.00 0.00 175.10 171.68 3iad n ASP 369 N 2.58 -4.70 -4.70 3.54 2.03 -0.42 -4.41 116.55 110.48 3iad n ASP 369 Ca 0.09 -0.24 -0.42 0.00 0.52 0.00 0.00 54.79 54.73 3iad n ASP 369 Cb 0.38 -3.48 -0.03 0.00 -0.72 0.00 0.00 41.12 37.27 3iad n ASP 369 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3iad s HIS 370 N -3.04 3.40 -1.05 -0.67 2.46 -0.99 -4.94 115.29 110.46 3iad s HIS 370 Ca 0.26 1.40 0.28 0.00 0.47 0.00 0.00 55.06 57.47 3iad s HIS 370 Cb -0.11 -3.32 1.13 0.00 -0.13 0.00 0.00 32.58 30.14 3iad s HIS 370 CO 0.32 -0.86 1.85 -0.35 -2.47 0.00 0.00 174.74 173.23 3iad n PRO 371 N 4.60 0.06 -0.48 2.88 -0.04 -1.26 -4.56 135.00 136.20 3iad n PRO 371 Ca 0.09 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 3iad n PRO 371 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 3iad n PRO 371 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iad n GLY 372 N 1.48 0.71 3.22 0.55 0.00 -1.26 -4.99 105.19 104.90 3iad n GLY 372 Ca 0.08 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 3iad n GLY 372 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iad s VAL 373 N -2.00 1.07 0.68 1.61 -7.23 -1.26 -4.73 120.40 108.55 3iad s VAL 373 Ca 0.00 -1.86 -0.11 0.00 -1.81 0.00 0.00 61.98 58.20 3iad s VAL 373 Cb 0.00 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.32 3iad s VAL 373 CO 0.00 -0.65 1.07 -0.94 -0.31 0.00 0.00 175.10 174.27 3iad s SER 374 N -2.81 5.59 0.18 4.85 1.04 -1.26 -4.91 113.70 116.38 3iad s SER 374 Ca 0.11 1.35 -0.14 0.00 0.48 0.00 0.00 55.95 57.76 3iad s SER 374 Cb -0.00 -2.25 0.17 0.00 0.10 0.00 0.00 66.02 64.04 3iad s SER 374 CO 0.00 -1.27 1.71 0.78 0.98 0.00 0.00 173.24 175.44 3iad h ASN 375 N -0.60 -0.05 -0.73 7.02 2.35 -2.00 -1.90 115.58 119.66 3iad h ASN 375 Ca -0.45 0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.42 3iad h ASN 375 Cb 1.22 0.14 -0.04 0.00 0.05 0.00 0.00 38.32 39.69 3iad h ASN 375 CO 0.61 0.00 0.47 0.06 -1.65 0.00 0.00 177.43 176.92 3iad h GLN 376 N 0.19 0.90 -0.49 0.81 -0.00 -1.98 0.10 115.11 114.65 3iad h GLN 376 Ca 0.23 -0.05 0.03 0.00 -0.00 0.00 0.00 58.65 58.86 3iad h GLN 376 Cb 0.32 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.48 27.56 3iad h GLN 376 CO -0.33 0.60 0.28 0.35 -0.00 0.00 0.00 178.83 179.73 3iad h PHE 377 N 0.93 0.52 -0.84 0.06 3.04 -1.86 0.85 116.94 119.65 3iad h PHE 377 Ca 0.28 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.22 3iad h PHE 377 Cb -0.03 -0.16 -0.04 0.00 2.56 0.00 0.00 35.95 38.28 3iad h PHE 377 CO -0.03 0.29 0.40 -0.07 -2.02 0.00 0.00 178.31 176.87 3iad h LEU 378 N 0.55 1.10 0.19 0.59 3.38 -0.50 -1.68 115.31 118.94 3iad h LEU 378 Ca 0.20 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3iad h LEU 378 Cb 0.05 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3iad h LEU 378 CO -0.11 0.93 -0.09 0.40 0.09 0.00 0.00 178.44 179.66 3iad h ILE 379 N 1.19 0.89 0.00 1.22 2.04 -0.41 -1.67 117.51 120.77 3iad h ILE 379 Ca 0.29 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 3iad h ILE 379 Cb 0.13 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3iad h ILE 379 CO -0.04 0.09 -0.12 0.78 0.00 0.00 0.00 178.15 178.86 3iad h ASN 380 N -0.44 0.00 -0.06 1.72 2.35 -0.70 -1.80 115.58 116.65 3iad h ASN 380 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3iad h ASN 380 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3iad h ASN 380 CO 0.04 0.12 0.00 0.35 -1.65 0.00 0.00 177.43 176.29 3iad n THR 381 N -3.67 0.06 -3.77 2.81 -2.24 -0.65 -4.94 114.28 101.89 3iad n THR 381 Ca -0.02 -0.27 -0.26 0.00 -2.27 0.00 0.00 64.05 61.23 3iad n THR 381 Cb 0.24 0.43 0.04 0.00 -2.10 0.00 0.00 70.33 68.94 3iad n THR 381 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3iad n ASN 382 N 0.18 -4.13 -4.75 3.42 5.15 -0.68 -4.96 115.26 109.50 3iad n ASN 382 Ca 0.18 -0.73 -0.34 0.00 -0.60 0.00 0.00 54.58 53.10 3iad n ASN 382 Cb 0.34 -4.23 0.07 0.00 -0.53 0.00 0.00 39.78 35.42 3iad n ASN 382 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3iad s SER 383 N -3.62 4.74 0.43 1.20 1.04 -0.64 -4.89 113.70 111.96 3iad s SER 383 Ca 0.46 2.16 0.09 0.00 0.48 0.00 0.00 55.95 59.13 3iad s SER 383 Cb -0.22 -2.57 0.92 0.00 0.10 0.00 0.00 66.02 64.25 3iad s SER 383 CO 0.80 -1.89 2.07 -0.08 0.98 0.00 0.00 173.24 175.12 3iad h GLU 384 N -0.07 0.46 -0.39 4.02 4.81 -1.93 -2.29 114.58 119.19 3iad h GLU 384 Ca -0.47 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.67 3iad h GLU 384 Cb 1.27 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 3iad h GLU 384 CO 0.52 0.31 0.01 -0.07 -0.73 0.00 0.00 179.01 179.05 3iad h LEU 385 N 0.48 0.67 -0.91 1.64 3.38 -1.92 0.28 115.31 118.92 3iad h LEU 385 Ca 0.14 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3iad h LEU 385 Cb -0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3iad h LEU 385 CO -0.03 0.81 -0.08 0.00 0.09 0.00 0.00 178.44 179.23 3iad h ALA 386 N 0.89 1.09 -0.14 1.53 0.00 -1.73 -2.04 119.26 118.85 3iad h ALA 386 Ca 0.11 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 3iad h ALA 386 Cb 0.46 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3iad h ALA 386 CO 0.02 0.57 -0.65 -0.07 0.00 0.00 0.00 179.25 179.11 3iad h LEU 387 N 0.66 0.61 -0.93 0.00 3.38 -1.28 -1.02 115.31 116.73 3iad h LEU 387 Ca 0.12 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.77 3iad h LEU 387 Cb 0.52 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 3iad h LEU 387 CO 0.03 1.10 0.60 -0.03 0.09 0.00 0.00 178.44 180.23 3iad h MET 388 N 0.38 1.11 -0.23 1.13 4.05 -0.08 -3.21 114.93 118.08 3iad h MET 388 Ca -0.02 -0.07 -0.07 0.00 -0.28 0.00 0.00 59.70 59.26 3iad h MET 388 Cb 1.22 -0.25 -0.04 0.00 -0.80 0.00 0.00 31.60 31.73 3iad h MET 388 CO 0.12 0.73 -0.07 0.66 0.23 0.00 0.00 176.91 178.58 3iad n TYR 389 N -4.52 0.77 -4.05 1.39 4.01 -0.80 -4.99 117.16 108.97 3iad n TYR 389 Ca 0.13 -1.24 -0.31 0.00 -0.16 0.00 0.00 57.90 56.31 3iad n TYR 389 Cb 0.12 -0.35 -0.01 0.00 -0.31 0.00 0.00 39.34 38.78 3iad n TYR 389 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3iad n ASN 390 N -0.96 -2.94 -0.84 7.72 3.02 -0.86 -1.63 115.26 118.76 3iad n ASN 390 Ca 0.25 -0.94 -0.11 0.00 -0.03 0.00 0.00 54.58 53.75 3iad n ASN 390 Cb 0.89 -3.20 -0.05 0.00 -0.61 0.00 0.00 39.78 36.81 3iad n ASN 390 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3iad n ASP 391 N -2.80 -5.73 -4.28 6.41 8.00 -0.44 -4.95 116.55 112.75 3iad n ASP 391 Ca -0.04 0.27 -0.36 0.00 0.71 0.00 0.00 54.79 55.37 3iad n ASP 391 Cb 0.55 -4.19 -0.13 0.00 -0.02 0.00 0.00 41.12 37.33 3iad n ASP 391 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3iad s SER 392 N -2.41 4.90 -1.31 -2.24 0.01 -0.64 -4.64 113.70 107.36 3iad s SER 392 Ca 0.00 -0.84 -0.19 0.00 1.31 0.00 0.00 55.95 56.23 3iad s SER 392 Cb 0.00 -1.81 0.02 0.00 0.21 0.00 0.00 66.02 64.44 3iad s SER 392 CO 0.00 -0.19 0.50 -1.20 0.41 0.00 0.00 173.24 172.76 3iad n SER 393 N 4.79 -2.59 0.24 2.44 7.64 -1.26 -4.79 113.62 120.09 3iad n SER 393 Ca -0.15 -1.20 -0.16 0.00 1.01 0.00 0.00 58.87 58.37 3iad n SER 393 Cb 0.47 -2.16 -0.08 0.00 -1.01 0.00 0.00 64.21 61.43 3iad n SER 393 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3iad h VAL 394 N -2.20 0.58 -0.60 0.44 2.07 -1.88 -1.04 116.25 113.62 3iad h VAL 394 Ca -0.68 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 3iad h VAL 394 Cb 1.39 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3iad h VAL 394 CO 0.57 0.00 0.01 -0.07 0.02 0.00 0.00 177.57 178.10 3iad h LEU 395 N -0.56 1.01 -0.35 2.57 3.38 -1.93 -2.91 115.31 116.52 3iad h LEU 395 Ca -0.05 -0.28 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 3iad h LEU 395 Cb 0.43 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3iad h LEU 395 CO 0.08 1.06 -0.18 -0.33 0.09 0.00 0.00 178.44 179.16 3iad h GLU 396 N 0.95 0.74 -0.96 1.13 3.07 -1.83 0.17 114.58 117.86 3iad h GLU 396 Ca 0.17 -0.33 0.12 0.00 -0.50 0.00 0.00 59.36 58.82 3iad h GLU 396 Cb 0.54 -0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.35 3iad h GLU 396 CO 0.03 0.94 0.61 -0.91 -1.40 0.00 0.00 179.01 178.28 3iad h ASN 397 N 0.52 0.84 -0.29 1.42 2.35 -1.24 -2.63 115.58 116.55 3iad h ASN 397 Ca 0.08 0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 3iad h ASN 397 Cb 0.73 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 3iad h ASN 397 CO 0.05 0.45 -0.19 -0.74 -1.65 0.00 0.00 177.43 175.36 3iad h HIS 398 N 0.91 0.74 -0.79 1.19 2.76 -1.03 -1.69 115.15 117.25 3iad h HIS 398 Ca 0.47 -0.20 0.07 0.00 -2.20 0.00 0.00 60.37 58.51 3iad h HIS 398 Cb 0.53 -0.17 -0.06 0.00 1.55 0.00 0.00 27.41 29.26 3iad h HIS 398 CO -0.00 0.89 0.47 0.45 -1.30 0.00 0.00 177.93 178.44 3iad h HIS 399 N 0.38 0.86 -0.20 5.26 3.86 -0.41 -1.60 115.15 123.30 3iad h HIS 399 Ca 0.06 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 3iad h HIS 399 Cb 0.72 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 3iad h HIS 399 CO 0.07 0.41 0.04 -0.07 0.86 0.00 0.00 177.93 179.24 3iad h LEU 400 N 0.84 0.31 -0.27 2.43 3.38 -1.42 -1.20 115.31 119.38 3iad h LEU 400 Ca 0.35 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 58.13 3iad h LEU 400 Cb 0.21 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3iad h LEU 400 CO -0.19 0.47 -0.01 0.00 0.09 0.00 0.00 178.44 178.80 3iad h ALA 401 N 0.85 0.23 -0.28 1.53 0.00 -0.71 -1.90 119.26 118.98 3iad h ALA 401 Ca 0.06 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3iad h ALA 401 Cb 0.29 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3iad h ALA 401 CO 0.00 -0.42 -0.23 0.28 0.00 0.00 0.00 179.25 178.88 3iad h VAL 402 N 0.07 1.30 -0.46 0.00 2.07 -1.37 -1.37 116.25 116.49 3iad h VAL 402 Ca 0.13 -1.38 0.09 0.00 0.82 0.00 0.00 66.70 66.36 3iad h VAL 402 Cb 0.17 1.58 -0.10 0.00 -1.52 0.00 0.00 31.29 31.42 3iad h VAL 402 CO -0.22 0.44 -0.20 1.23 0.02 0.00 0.00 177.57 178.83 3iad h GLY 403 N 0.38 0.14 1.38 2.17 0.00 -0.87 -0.79 103.07 105.47 3iad h GLY 403 Ca 0.05 0.26 -0.23 0.00 0.00 0.00 0.00 47.33 47.41 3iad h GLY 403 CO 0.06 -0.21 -0.90 0.74 0.00 0.00 0.00 176.54 176.23 3iad h PHE 404 N -0.11 0.83 -0.57 5.60 0.04 -1.39 -3.29 116.94 118.05 3iad h PHE 404 Ca 0.22 -0.42 -0.04 0.00 2.80 0.00 0.00 57.97 60.53 3iad h PHE 404 Cb 0.45 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.46 3iad h PHE 404 CO -0.47 1.24 0.19 -0.22 -0.60 0.00 0.00 178.31 178.45 3iad h LYS 405 N 0.36 0.85 0.00 1.51 1.63 -0.84 -1.99 116.57 118.09 3iad h LYS 405 Ca -0.08 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 59.57 3iad h LYS 405 Cb 1.53 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 33.02 3iad h LYS 405 CO 0.17 0.73 -0.02 -0.07 -3.45 0.00 0.00 179.45 176.81 3iad h LEU 406 N 0.83 0.00 -2.03 5.20 3.38 -1.22 -0.94 115.31 120.54 3iad h LEU 406 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3iad h LEU 406 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3iad h LEU 406 CO -0.01 0.02 0.09 -0.07 0.09 0.00 0.00 178.44 178.56 3iad h LEU 407 N 0.00 0.00 -0.52 1.67 3.38 -1.47 -2.39 115.31 115.98 3iad h LEU 407 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iad h LEU 407 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3iad h LEU 407 CO 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 178.44 178.32 3iad n GLN 408 N -2.63 0.92 -1.57 1.13 6.02 -0.36 -2.46 117.38 118.44 3iad n GLN 408 Ca -0.02 -0.52 -0.29 0.00 -0.01 0.00 0.00 57.00 56.16 3iad n GLN 408 Cb 0.14 -1.49 0.14 0.00 1.02 0.00 0.00 30.24 30.05 3iad n GLN 408 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3iad s GLU 409 N -2.44 0.99 -0.01 -1.09 2.02 -0.90 -4.91 118.70 112.36 3iad s GLU 409 Ca 0.26 0.19 -0.31 0.00 0.02 0.00 0.00 54.97 55.13 3iad s GLU 409 Cb 0.20 -1.83 -0.09 0.00 0.10 0.00 0.00 34.13 32.50 3iad s GLU 409 CO 0.49 -2.28 1.98 -1.91 0.02 0.00 0.00 175.26 173.57 3iad n GLU 410 N -3.80 2.66 -3.55 1.61 4.07 -1.26 -2.17 120.64 118.20 3iad n GLU 410 Ca 0.08 0.96 -0.25 0.00 -0.06 0.00 0.00 57.16 57.89 3iad n GLU 410 Cb 0.59 -2.96 0.05 0.00 -0.06 0.00 0.00 31.44 29.07 3iad n GLU 410 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 3iad n ASN 411 N 7.73 -5.80 -0.09 4.31 5.15 -1.26 -4.90 115.26 120.41 3iad n ASN 411 Ca 0.22 -0.54 0.05 0.00 -0.60 0.00 0.00 54.58 53.70 3iad n ASN 411 Cb 0.39 -4.61 -0.04 0.00 -0.53 0.00 0.00 39.78 35.00 3iad n ASN 411 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iad s ASP 413 N -1.73 6.80 0.46 0.00 2.15 -1.03 -4.60 116.67 118.72 3iad s ASP 413 Ca 0.06 -2.32 0.32 0.00 0.43 0.00 0.00 52.55 51.04 3iad s ASP 413 Cb 0.08 -2.57 1.57 0.00 -0.30 0.00 0.00 42.92 41.70 3iad s ASP 413 CO 0.35 -1.20 1.96 0.16 -0.17 0.00 0.00 175.17 176.27 3iad h ILE 414 N 5.72 0.00 -0.67 4.11 3.07 -1.85 -2.52 117.51 125.37 3iad h ILE 414 Ca 0.40 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 66.66 3iad h ILE 414 Cb 0.89 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.39 3iad h ILE 414 CO 1.44 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 179.03 3iad n PHE 415 N -2.68 1.31 -0.20 0.16 3.72 -1.26 -4.63 117.46 113.87 3iad n PHE 415 Ca -0.01 -0.58 0.13 0.00 -0.05 0.00 0.00 57.45 56.95 3iad n PHE 415 Cb 0.14 -0.16 0.44 0.00 -0.94 0.00 0.00 39.48 38.96 3iad n PHE 415 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 3iad h GLN 416 N 4.13 0.54 -0.27 -1.08 3.07 -1.82 -2.56 115.11 117.12 3iad h GLN 416 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 3iad h GLN 416 Cb 1.29 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.73 3iad h GLN 416 CO 0.15 0.36 0.00 0.09 0.09 0.00 0.00 178.83 179.52 3iad n ASN 417 N -4.51 2.36 -4.83 0.06 3.02 -1.26 -4.91 115.26 105.19 3iad n ASN 417 Ca 0.15 -1.84 -0.33 0.00 -0.03 0.00 0.00 54.58 52.53 3iad n ASN 417 Cb 0.47 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.40 3iad n ASN 417 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3iad s LEU 418 N -1.47 3.90 0.87 3.41 1.02 -0.97 -4.93 118.68 120.52 3iad s LEU 418 Ca 0.34 1.55 -0.11 0.00 0.02 0.00 0.00 54.13 55.93 3iad s LEU 418 Cb 0.19 -4.41 0.12 0.00 0.02 0.00 0.00 46.19 42.11 3iad s LEU 418 CO 0.27 -0.37 1.10 0.42 0.02 0.00 0.00 176.35 177.79 3iad s THR 419 N -2.23 2.73 0.14 5.49 -4.23 -1.26 -4.81 115.64 111.47 3iad s THR 419 Ca 0.59 0.24 -0.19 0.00 -1.18 0.00 0.00 61.69 61.15 3iad s THR 419 Cb -0.09 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.16 3iad s THR 419 CO 0.18 -0.31 1.71 0.50 -0.54 0.00 0.00 174.62 176.17 3iad h LYS 420 N -1.54 0.07 -0.50 3.99 1.63 -1.98 -0.90 116.57 117.34 3iad h LYS 420 Ca -0.47 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.31 3iad h LYS 420 Cb 1.26 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.85 3iad h LYS 420 CO 0.50 0.05 0.22 -0.22 -3.45 0.00 0.00 179.45 176.54 3iad h LYS 421 N 0.07 0.70 -0.17 1.90 3.64 -2.00 -1.66 116.57 119.05 3iad h LYS 421 Ca 0.12 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3iad h LYS 421 Cb 0.16 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3iad h LYS 421 CO -0.21 0.56 0.01 1.96 -2.27 0.00 0.00 179.45 179.51 3iad h GLN 422 N 0.70 0.30 -0.62 1.90 4.20 -1.87 -2.92 115.11 116.80 3iad h GLN 422 Ca 0.17 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 3iad h GLN 422 Cb 0.11 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 3iad h GLN 422 CO -0.02 0.49 0.32 0.00 -0.67 0.00 0.00 178.83 178.95 3iad h ARG 423 N 0.07 0.87 -0.35 1.46 3.08 -0.57 -0.88 114.38 118.06 3iad h ARG 423 Ca 0.05 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 3iad h ARG 423 Cb 0.35 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3iad h ARG 423 CO 0.01 0.66 -0.10 1.96 -1.07 0.00 0.00 179.97 181.43 3iad h GLN 424 N 0.87 0.68 -0.65 0.04 4.20 -1.37 -1.26 115.11 117.62 3iad h GLN 424 Ca 0.22 -0.27 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 3iad h GLN 424 Cb 0.06 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 3iad h GLN 424 CO -0.03 0.85 0.25 1.03 -0.67 0.00 0.00 178.83 180.26 3iad h SER 425 N 0.47 0.91 0.35 1.46 0.87 -1.26 -1.69 113.55 114.66 3iad h SER 425 Ca 0.09 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 3iad h SER 425 Cb 0.61 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3iad h SER 425 CO 0.04 0.84 -0.17 0.25 -0.53 0.00 0.00 176.83 177.26 3iad h LEU 426 N 0.92 -0.39 -0.24 2.23 5.85 -1.13 -2.21 115.31 120.33 3iad h LEU 426 Ca 0.22 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.99 3iad h LEU 426 Cb 0.23 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 3iad h LEU 426 CO -0.02 -0.26 -0.19 -0.09 -0.34 0.00 0.00 178.44 177.54 3iad h ARG 427 N -0.49 -0.18 -0.52 1.25 2.43 -1.06 0.24 114.38 116.05 3iad h ARG 427 Ca -0.05 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3iad h ARG 427 Cb 0.37 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3iad h ARG 427 CO 0.08 -0.12 0.34 -0.22 -1.51 0.00 0.00 179.97 178.54 3iad h LYS 428 N -0.19 0.67 -0.71 0.20 3.64 -1.29 0.06 116.57 118.96 3iad h LYS 428 Ca 0.14 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3iad h LYS 428 Cb 0.40 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 3iad h LYS 428 CO -0.36 0.45 0.45 0.52 -2.27 0.00 0.00 179.45 178.24 3iad h MET 429 N 0.69 0.95 -0.32 1.90 2.86 -0.93 -1.33 114.93 118.76 3iad h MET 429 Ca 0.19 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 3iad h MET 429 Cb -0.07 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.37 3iad h MET 429 CO -0.05 0.65 0.08 0.28 1.06 0.00 0.00 176.91 178.94 3iad h VAL 430 N 0.96 1.22 0.10 -2.22 2.07 -0.40 -0.69 116.25 117.30 3iad h VAL 430 Ca 0.26 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 67.07 3iad h VAL 430 Cb -0.07 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3iad h VAL 430 CO -0.05 0.24 -0.19 0.40 0.02 0.00 0.00 177.57 177.99 3iad h ILE 431 N 0.35 0.58 -0.84 4.57 2.04 -0.82 -0.52 117.51 122.87 3iad h ILE 431 Ca 0.10 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.05 3iad h ILE 431 Cb 0.29 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 36.87 3iad h ILE 431 CO 0.00 0.00 0.49 0.44 0.00 0.00 0.00 178.15 179.08 3iad h ASP 432 N -0.35 0.71 -0.03 1.72 3.45 -1.14 -1.62 116.42 119.16 3iad h ASP 432 Ca 0.03 0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.52 3iad h ASP 432 Cb 0.38 -0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 39.05 3iad h ASP 432 CO -0.11 0.41 -0.00 0.40 -1.57 0.00 0.00 179.24 178.37 3iad h ILE 433 N 0.82 1.28 -0.42 0.35 2.04 -0.75 -3.01 117.51 117.83 3iad h ILE 433 Ca 0.40 -0.85 -0.10 0.00 1.00 0.00 0.00 64.86 65.31 3iad h ILE 433 Cb 0.35 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 3iad h ILE 433 CO -0.24 0.23 -0.14 0.58 0.00 0.00 0.00 178.15 178.58 3iad h VAL 434 N -0.28 1.28 0.00 1.67 2.07 -0.89 -2.58 116.25 117.51 3iad h VAL 434 Ca 0.01 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 3iad h VAL 434 Cb 0.37 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3iad h VAL 434 CO 0.00 0.42 -0.03 -0.07 0.02 0.00 0.00 177.57 177.92 3iad h LEU 435 N 0.66 0.00 -0.56 2.57 3.38 -1.40 -1.12 115.31 118.85 3iad h LEU 435 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3iad h LEU 435 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3iad h LEU 435 CO 0.05 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.61 3iad n ALA 436 N -2.48 1.78 0.55 1.53 0.00 -0.98 -2.66 120.51 118.25 3iad n ALA 436 Ca -0.03 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3iad n ALA 436 Cb 0.12 -1.40 0.42 0.00 0.00 0.00 0.00 19.45 18.58 3iad n ALA 436 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3iad h THR 437 N 0.00 0.00 -1.39 0.00 1.35 -1.13 -3.44 112.91 108.30 3iad h THR 437 Ca 0.00 -0.45 -0.67 0.00 -0.55 0.00 0.00 66.41 64.74 3iad h THR 437 Cb 0.43 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 68.24 3iad h THR 437 CO 0.00 0.00 1.25 -0.67 -0.25 0.00 0.00 175.52 175.85 3iad n ASP 438 N -2.32 2.48 -0.21 5.36 -0.08 -1.09 -4.84 116.55 115.86 3iad n ASP 438 Ca 0.05 0.65 0.08 0.00 -1.51 0.00 0.00 54.79 54.06 3iad n ASP 438 Cb 0.39 -1.27 0.37 0.00 2.34 0.00 0.00 41.12 42.95 3iad n ASP 438 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 3iad h MET 439 N 10.77 0.71 0.00 -0.67 2.86 -1.85 -1.17 114.93 125.57 3iad h MET 439 Ca -0.36 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 3iad h MET 439 Cb 1.31 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.81 3iad h MET 439 CO 0.99 0.47 0.00 -1.13 1.06 0.00 0.00 176.91 178.30 3iad n SER 440 N -4.50 0.04 -1.73 1.22 3.41 -0.86 -1.43 113.62 109.77 3iad n SER 440 Ca 0.13 0.51 0.08 0.00 -0.26 0.00 0.00 58.87 59.33 3iad n SER 440 Cb 0.31 -0.52 0.37 0.00 -0.26 0.00 0.00 64.21 64.11 3iad n SER 440 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3iad n LYS 441 N -1.55 4.29 -0.25 4.33 5.02 -0.44 -2.83 118.16 126.73 3iad n LYS 441 Ca 0.01 -2.94 -0.05 0.00 -2.02 0.00 0.00 58.31 53.31 3iad n LYS 441 Cb 0.04 -2.09 0.05 0.00 -0.02 0.00 0.00 35.03 33.01 3iad n LYS 441 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3iad h HIS 442 N 3.93 0.91 -0.06 2.13 2.76 -1.25 -2.64 115.15 120.93 3iad h HIS 442 Ca 0.00 0.01 -0.19 0.00 -2.20 0.00 0.00 60.37 57.99 3iad h HIS 442 Cb 1.71 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 30.36 3iad h HIS 442 CO 0.93 0.59 -0.76 0.52 -1.30 0.00 0.00 177.93 177.91 3iad h MET 443 N 0.96 0.36 -0.36 5.26 2.86 -1.82 -1.60 114.93 120.59 3iad h MET 443 Ca 0.26 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3iad h MET 443 Cb -0.07 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3iad h MET 443 CO -0.05 0.96 0.15 -0.91 1.06 0.00 0.00 176.91 178.12 3iad h ASN 444 N 0.24 0.48 -0.58 1.22 2.35 -1.88 -0.58 115.58 116.83 3iad h ASN 444 Ca -0.04 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.49 3iad h ASN 444 Cb 1.34 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.57 3iad h ASN 444 CO 0.13 0.50 0.11 -0.07 -1.65 0.00 0.00 177.43 176.45 3iad h LEU 445 N 0.43 0.92 -0.59 1.61 3.38 -1.44 -2.35 115.31 117.27 3iad h LEU 445 Ca 0.12 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 3iad h LEU 445 Cb 0.17 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3iad h LEU 445 CO -0.01 0.94 -0.10 0.25 0.09 0.00 0.00 178.44 179.61 3iad h LEU 446 N 0.86 1.02 -1.03 1.67 5.85 -1.19 -0.97 115.31 121.52 3iad h LEU 446 Ca 0.18 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 3iad h LEU 446 Cb 0.40 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3iad h LEU 446 CO 0.01 1.13 0.36 0.00 -0.34 0.00 0.00 178.44 179.60 3iad h ALA 447 N 0.96 1.24 -0.15 1.25 0.00 -1.01 -0.22 119.26 121.34 3iad h ALA 447 Ca 0.14 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 3iad h ALA 447 Cb 0.66 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3iad h ALA 447 CO 0.05 0.59 -0.63 -0.44 0.00 0.00 0.00 179.25 178.81 3iad h ASP 448 N 1.05 0.60 0.18 0.00 5.19 -1.23 -2.29 116.42 119.92 3iad h ASP 448 Ca 0.26 -0.35 -0.11 0.00 -0.62 0.00 0.00 57.03 56.20 3iad h ASP 448 Cb 0.10 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 3iad h ASP 448 CO -0.03 1.08 -0.40 0.25 -3.12 0.00 0.00 179.24 177.02 3iad h LEU 449 N 0.39 0.31 -0.47 1.55 5.85 -0.75 -1.33 115.31 120.85 3iad h LEU 449 Ca -0.01 -0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.45 3iad h LEU 449 Cb 1.19 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3iad h LEU 449 CO 0.12 0.69 -0.19 0.11 -0.34 0.00 0.00 178.44 178.82 3iad h LYS 450 N 0.25 0.97 -0.76 1.25 1.57 -1.00 -2.42 116.57 116.43 3iad h LYS 450 Ca 0.02 -0.41 -0.04 0.00 -1.87 0.00 0.00 60.65 58.35 3iad h LYS 450 Cb 0.82 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 3iad h LYS 450 CO 0.07 1.08 0.30 1.15 -0.57 0.00 0.00 179.45 181.47 3iad h THR 451 N 0.82 1.25 -0.27 -0.16 2.02 -1.15 -0.71 112.91 114.72 3iad h THR 451 Ca 0.11 -0.81 -0.09 0.00 0.77 0.00 0.00 66.41 66.39 3iad h THR 451 Cb 0.77 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3iad h THR 451 CO 0.06 0.33 -0.22 -0.03 0.37 0.00 0.00 175.52 176.03 3iad h MET 452 N 1.11 0.51 -0.18 6.66 -1.53 -1.19 -2.36 114.93 117.94 3iad h MET 452 Ca 0.25 -0.18 -0.12 0.00 -3.44 0.00 0.00 59.70 56.22 3iad h MET 452 Cb 0.22 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.23 3iad h MET 452 CO -0.02 0.70 -0.34 0.28 0.14 0.00 0.00 176.91 177.67 3iad h VAL 453 N 0.45 1.34 -0.58 -5.77 2.07 -1.11 -2.51 116.25 110.14 3iad h VAL 453 Ca 0.07 -1.58 0.07 0.00 0.82 0.00 0.00 66.70 66.08 3iad h VAL 453 Cb 0.64 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 3iad h VAL 453 CO 0.05 0.48 0.39 -0.33 0.02 0.00 0.00 177.57 178.18 3iad h GLU 454 N 0.20 0.52 -0.61 1.57 5.08 -0.96 -2.31 114.58 118.07 3iad h GLU 454 Ca 0.01 -0.03 -0.36 0.00 -1.00 0.00 0.00 59.36 57.98 3iad h GLU 454 Cb 0.93 -0.12 -0.21 0.00 0.50 0.00 0.00 28.75 29.85 3iad h GLU 454 CO 0.08 0.34 0.07 0.25 -1.00 0.00 0.00 179.01 178.75 3iad n THR 455 N -4.48 2.82 -1.98 1.13 -2.24 -0.91 -5.04 114.28 103.59 3iad n THR 455 Ca 0.08 -2.86 -0.42 0.00 -2.27 0.00 0.00 64.05 58.58 3iad n THR 455 Cb 0.26 -0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 67.88 3iad n THR 455 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3iad s LYS 456 N -3.40 4.22 -0.07 -0.78 2.20 -0.87 -4.99 119.74 116.05 3iad s LYS 456 Ca 0.51 2.28 0.04 0.00 -0.36 0.00 0.00 55.97 58.43 3iad s LYS 456 Cb 0.44 -3.49 -0.01 0.00 -1.51 0.00 0.00 37.83 33.25 3iad s LYS 456 CO 0.02 -0.67 -0.20 0.15 -0.36 0.00 0.00 175.35 174.29 3iad s LYS 457 N 2.25 2.74 0.20 4.03 1.02 -1.26 -5.08 119.74 123.63 3iad s LYS 457 Ca 0.71 -0.81 0.07 0.00 0.02 0.00 0.00 55.97 55.97 3iad s LYS 457 Cb -0.39 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.55 3iad s LYS 457 CO 0.31 0.39 0.05 0.14 -0.92 0.00 0.00 175.35 175.33 3iad s VAL 458 N -0.16 3.93 0.72 3.17 -7.23 -1.26 -1.48 120.40 118.08 3iad s VAL 458 Ca -0.02 -1.42 -0.05 0.00 -1.81 0.00 0.00 61.98 58.67 3iad s VAL 458 Cb -0.14 -3.02 0.15 0.00 0.56 0.00 0.00 36.38 33.94 3iad s VAL 458 CO 0.04 -0.18 0.98 0.35 -0.31 0.00 0.00 175.10 175.97 3iad n THR 459 N -0.41 0.00 0.01 5.32 -2.24 0.32 -4.82 114.28 112.46 3iad n THR 459 Ca -0.09 -1.19 -0.03 0.00 -2.27 0.00 0.00 64.05 60.47 3iad n THR 459 Cb 0.56 -1.17 0.21 0.00 -2.10 0.00 0.00 70.33 67.83 3iad n THR 459 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3iad h SER 460 N -0.88 0.48 -0.18 3.42 4.64 -2.01 -2.93 113.55 116.09 3iad h SER 460 Ca -0.32 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3iad h SER 460 Cb 1.06 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3iad h SER 460 CO 0.29 0.71 0.00 -1.54 -0.87 0.00 0.00 176.83 175.43 3iad n SER 461 N -4.14 1.09 0.00 4.97 3.41 -1.26 -4.90 113.62 112.79 3iad n SER 461 Ca -0.00 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 3iad n SER 461 Cb 0.39 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3iad n SER 461 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iad n GLY 462 N 0.72 0.59 3.66 5.00 0.00 -1.11 -5.05 105.19 109.00 3iad n GLY 462 Ca 0.06 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 3iad n GLY 462 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iad s VAL 463 N -2.00 2.31 0.19 1.61 -7.23 -1.26 -4.77 120.40 109.24 3iad s VAL 463 Ca 0.00 -1.90 -0.30 0.00 -1.81 0.00 0.00 61.98 57.97 3iad s VAL 463 Cb 0.00 -2.91 -0.08 0.00 0.56 0.00 0.00 36.38 33.95 3iad s VAL 463 CO 0.00 -0.07 1.17 -0.22 -0.31 0.00 0.00 175.10 175.66 3iad s LEU 464 N -3.77 4.46 -0.17 1.32 2.96 -0.38 -0.52 118.68 122.58 3iad s LEU 464 Ca 0.37 2.19 -0.13 0.00 -0.22 0.00 0.00 54.13 56.34 3iad s LEU 464 Cb 0.04 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.08 3iad s LEU 464 CO 0.20 -0.32 0.27 -0.22 -1.32 0.00 0.00 176.35 174.95 3iad s LEU 465 N -0.32 4.23 -0.32 -0.68 2.96 -0.55 -4.82 118.68 119.18 3iad s LEU 465 Ca 0.51 0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 54.85 3iad s LEU 465 Cb -0.32 -2.32 0.11 0.00 0.50 0.00 0.00 46.19 44.16 3iad s LEU 465 CO 0.36 0.10 0.16 -0.76 -1.32 0.00 0.00 176.35 174.89 3iad s LEU 466 N 0.51 0.98 0.25 -0.68 1.43 -1.26 -4.71 118.68 115.20 3iad s LEU 466 Ca 0.15 -1.67 0.11 0.00 -1.03 0.00 0.00 54.13 51.69 3iad s LEU 466 Cb -0.13 -0.46 0.27 0.00 0.03 0.00 0.00 46.19 45.90 3iad s LEU 466 CO 0.03 -0.39 1.55 0.44 0.23 0.00 0.00 176.35 178.21 3iad h ASP 467 N 7.87 0.00 -3.42 2.29 3.45 -1.98 -3.47 116.42 121.17 3iad h ASP 467 Ca -0.10 0.00 -0.43 0.00 0.43 0.00 0.00 57.03 56.93 3iad h ASP 467 Cb 0.99 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 39.62 3iad h ASP 467 CO 0.39 0.66 -0.68 0.54 -1.57 0.00 0.00 179.24 178.59 3iad s ASN 468 N -6.76 2.30 0.23 6.45 2.20 -1.26 -5.05 114.94 113.05 3iad s ASN 468 Ca -0.01 -1.17 -0.07 0.00 -0.94 0.00 0.00 52.86 50.68 3iad s ASN 468 Cb 0.12 -0.08 0.22 0.00 -2.00 0.00 0.00 41.25 39.50 3iad s ASN 468 CO 0.77 -0.39 1.89 0.22 -2.94 0.00 0.00 177.10 176.65 3iad h TYR 469 N 2.43 1.18 -0.16 1.54 3.20 -1.99 -2.76 116.97 120.41 3iad h TYR 469 Ca -0.39 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.53 3iad h TYR 469 Cb 1.22 -0.39 -0.04 0.00 1.54 0.00 0.00 36.73 39.06 3iad h TYR 469 CO 0.64 0.78 -0.11 1.03 -1.64 0.00 0.00 178.16 178.86 3iad h SER 470 N 1.25 -0.37 -0.60 -2.11 0.87 -1.99 0.62 113.55 111.22 3iad h SER 470 Ca 0.33 0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.88 3iad h SER 470 Cb -0.08 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 3iad h SER 470 CO -0.06 -0.15 0.04 0.44 -0.53 0.00 0.00 176.83 176.57 3iad h ASP 471 N -0.12 1.02 0.05 6.23 3.32 -1.95 -1.83 116.42 123.13 3iad h ASP 471 Ca 0.10 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 3iad h ASP 471 Cb 0.26 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3iad h ASP 471 CO -0.23 1.05 -0.02 0.03 -1.72 0.00 0.00 179.24 178.34 3iad h ARG 472 N 0.97 -0.06 -0.45 3.56 3.08 -1.10 -1.88 114.38 118.51 3iad h ARG 472 Ca 0.18 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 3iad h ARG 472 Cb 0.50 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 3iad h ARG 472 CO 0.02 0.16 0.02 0.97 -1.07 0.00 0.00 179.97 180.07 3iad h ILE 473 N -0.28 1.23 -0.66 2.04 6.09 -0.91 -2.53 117.51 122.50 3iad h ILE 473 Ca -0.01 -0.92 -0.03 0.00 -1.37 0.00 0.00 64.86 62.54 3iad h ILE 473 Cb 0.25 0.87 -0.03 0.00 0.47 0.00 0.00 36.82 38.38 3iad h ILE 473 CO 0.01 0.32 0.30 -0.61 -3.07 0.00 0.00 178.15 175.10 3iad h GLN 474 N 0.68 0.96 -0.24 2.19 4.15 -1.14 0.38 115.11 122.09 3iad h GLN 474 Ca 0.14 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 3iad h GLN 474 Cb 0.39 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 3iad h GLN 474 CO 0.01 0.78 0.13 0.28 -1.93 0.00 0.00 178.83 178.10 3iad h VAL 475 N 0.92 1.12 -0.68 2.39 2.07 -1.18 -1.93 116.25 118.96 3iad h VAL 475 Ca 0.22 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 3iad h VAL 475 Cb 0.15 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3iad h VAL 475 CO -0.03 0.12 0.29 -0.07 0.02 0.00 0.00 177.57 177.91 3iad h LEU 476 N 0.27 0.92 0.12 2.57 3.38 -1.00 0.12 115.31 121.69 3iad h LEU 476 Ca 0.08 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3iad h LEU 476 Cb 0.08 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3iad h LEU 476 CO -0.01 0.83 -0.31 1.56 0.09 0.00 0.00 178.44 180.59 3iad h GLN 477 N 0.96 -0.52 0.00 1.13 4.20 -0.15 -2.10 115.11 118.63 3iad h GLN 477 Ca 0.23 0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.94 3iad h GLN 477 Cb 0.18 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3iad h GLN 477 CO -0.02 -0.34 -0.17 -0.91 -0.67 0.00 0.00 178.83 176.71 3iad h ASN 478 N -0.54 0.00 0.10 1.46 2.35 -1.15 -1.52 115.58 116.29 3iad h ASN 478 Ca 0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3iad h ASN 478 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 3iad h ASN 478 CO -0.18 0.17 -0.05 -0.03 -1.65 0.00 0.00 177.43 175.69 3iad h MET 479 N 0.00 -0.13 -0.19 0.81 4.05 -0.30 0.14 114.93 119.30 3iad h MET 479 Ca -0.00 0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.32 3iad h MET 479 Cb 0.31 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 3iad h MET 479 CO 0.02 0.11 -0.36 0.28 0.23 0.00 0.00 176.91 177.19 3iad h VAL 480 N -0.36 1.29 -0.56 -5.77 2.07 -1.20 0.05 116.25 111.78 3iad h VAL 480 Ca -0.01 -1.46 -0.09 0.00 0.82 0.00 0.00 66.70 65.96 3iad h VAL 480 Cb 0.30 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3iad h VAL 480 CO 0.02 0.45 0.01 -0.74 0.02 0.00 0.00 177.57 177.33 3iad h HIS 481 N 0.35 1.02 -0.06 1.57 6.17 -1.18 0.82 115.15 123.85 3iad h HIS 481 Ca 0.04 -0.16 -0.00 0.00 0.71 0.00 0.00 60.37 60.95 3iad h HIS 481 Cb 0.80 -0.27 -0.00 0.00 2.52 0.00 0.00 27.41 30.45 3iad h HIS 481 CO 0.02 0.91 0.02 0.00 0.71 0.00 0.00 177.93 179.60 3iad h ALA 483 N 0.82 1.77 -0.16 0.00 0.00 -0.69 -1.05 119.26 119.95 3iad h ALA 483 Ca 0.02 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3iad h ALA 483 Cb 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3iad h ALA 483 CO -0.00 -0.08 -0.59 0.22 0.00 0.00 0.00 179.25 178.81 3iad h ASP 484 N 0.73 0.57 -1.09 0.00 3.58 -0.61 -3.10 116.42 116.51 3iad h ASP 484 Ca 0.51 -0.32 -0.69 0.00 0.42 0.00 0.00 57.03 56.96 3iad h ASP 484 Cb 0.82 -0.17 -0.29 0.00 1.72 0.00 0.00 39.33 41.42 3iad h ASP 484 CO -0.28 1.03 0.87 0.18 -2.88 0.00 0.00 179.24 178.17 3iad n LEU 485 N -3.93 7.67 -0.04 2.28 4.77 -0.41 -4.59 117.00 122.75 3iad n LEU 485 Ca -0.03 -4.35 0.10 0.00 -0.03 0.00 0.00 56.01 51.70 3iad n LEU 485 Cb 0.62 -0.98 -0.11 0.00 -2.33 0.00 0.00 43.42 40.63 3iad n LEU 485 CO 0.47 1.51 -0.02 -1.54 -1.33 0.00 0.00 177.39 176.48 3iad n SER 486 N -0.88 1.03 -0.07 -1.43 3.41 -0.63 -4.62 113.62 110.43 3iad n SER 486 Ca 0.62 -1.02 -0.09 0.00 -0.26 0.00 0.00 58.87 58.12 3iad n SER 486 Cb 0.62 0.96 -0.03 0.00 -0.26 0.00 0.00 64.21 65.51 3iad n SER 486 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3iad h ASN 487 N 0.18 -1.08 0.23 4.04 -0.26 -1.83 -1.55 115.58 115.31 3iad h ASN 487 Ca 0.00 0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 3iad h ASN 487 Cb 0.50 0.48 0.00 0.00 -1.06 0.00 0.00 38.32 38.24 3iad h ASN 487 CO 0.00 -0.34 0.00 -2.65 -1.06 0.00 0.00 177.43 173.38 3iad n PRO 488 N -5.41 0.11 0.03 0.81 -0.02 -1.26 -1.75 135.00 127.50 3iad n PRO 488 Ca -0.01 0.51 0.12 0.00 -2.02 0.00 0.00 63.50 62.10 3iad n PRO 488 Cb 0.33 -1.79 0.10 0.00 -0.02 0.00 0.00 33.50 32.13 3iad n PRO 488 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3iad n THR 489 N -2.00 0.18 -1.98 3.45 -2.24 -0.60 -4.23 114.28 106.85 3iad n THR 489 Ca 0.00 -0.19 -0.32 0.00 -2.27 0.00 0.00 64.05 61.27 3iad n THR 489 Cb 0.09 0.17 0.01 0.00 -2.10 0.00 0.00 70.33 68.49 3iad n THR 489 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3iad s LYS 490 N -3.14 3.40 0.47 -0.78 -0.14 -0.72 -4.46 119.74 114.38 3iad s LYS 490 Ca 0.06 1.03 -0.20 0.00 -1.36 0.00 0.00 55.97 55.49 3iad s LYS 490 Cb 0.15 -2.05 -0.12 0.00 -1.68 0.00 0.00 37.83 34.13 3iad s LYS 490 CO 0.76 -0.73 0.45 -2.30 -0.76 0.00 0.00 175.35 172.77 3iad n PRO 491 N -2.29 0.47 -0.20 -1.68 -0.02 -1.26 -4.50 135.00 125.52 3iad n PRO 491 Ca 0.08 0.18 0.07 0.00 -2.02 0.00 0.00 63.50 61.80 3iad n PRO 491 Cb 0.53 -1.49 0.35 0.00 -0.02 0.00 0.00 33.50 32.87 3iad n PRO 491 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3iad h LEU 492 N 0.52 0.68 -1.04 2.45 5.85 -1.94 -0.96 115.31 120.87 3iad h LEU 492 Ca -0.42 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.25 3iad h LEU 492 Cb 1.41 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 3iad h LEU 492 CO 0.49 0.43 0.07 0.06 -0.34 0.00 0.00 178.44 179.15 3iad h GLN 493 N 0.77 0.76 -0.16 1.25 -0.00 -2.01 -1.77 115.11 113.95 3iad h GLN 493 Ca 0.33 -0.17 -0.18 0.00 -0.00 0.00 0.00 58.65 58.63 3iad h GLN 493 Cb 0.30 -0.11 0.01 0.00 -0.00 0.00 0.00 27.48 27.68 3iad h GLN 493 CO -0.12 0.72 -0.60 -0.07 -0.00 0.00 0.00 178.83 178.77 3iad h LEU 494 N 0.73 0.80 -0.50 0.06 3.38 -1.53 -3.22 115.31 115.03 3iad h LEU 494 Ca 0.15 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 3iad h LEU 494 Cb 0.34 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3iad h LEU 494 CO 0.01 1.28 0.28 0.22 0.09 0.00 0.00 178.44 180.32 3iad h TYR 495 N 0.37 0.67 -0.71 1.13 3.20 -1.17 -2.44 116.97 118.02 3iad h TYR 495 Ca -0.03 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.77 3iad h TYR 495 Cb 1.23 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 3iad h TYR 495 CO 0.10 0.48 0.21 0.00 -1.64 0.00 0.00 178.16 177.31 3iad h ARG 496 N 0.66 1.10 -0.76 1.82 3.08 -1.42 -0.85 114.38 118.01 3iad h ARG 496 Ca 0.18 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3iad h ARG 496 Cb 0.02 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3iad h ARG 496 CO -0.03 0.95 0.30 1.96 -1.07 0.00 0.00 179.97 182.07 3iad h GLN 497 N 1.06 1.14 -0.60 0.04 4.20 -1.54 -0.56 115.11 118.85 3iad h GLN 497 Ca 0.23 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 3iad h GLN 497 Cb 0.31 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3iad h GLN 497 CO -0.01 0.93 0.04 -1.49 -0.67 0.00 0.00 178.83 177.63 3iad h TRP 498 N 1.11 1.08 0.09 2.96 -0.00 -0.91 -1.61 115.95 118.66 3iad h TRP 498 Ca 0.25 -0.16 -0.00 0.00 -0.00 0.00 0.00 58.89 58.98 3iad h TRP 498 Cb 0.22 -0.29 0.00 0.00 -0.00 0.00 0.00 29.16 29.09 3iad h TRP 498 CO 0.02 0.94 -0.04 1.15 -0.00 0.00 0.00 178.44 180.50 3iad h THR 499 N 0.93 1.05 -0.63 1.49 2.02 -0.90 -0.33 112.91 116.55 3iad h THR 499 Ca 0.18 -0.54 0.12 0.00 0.77 0.00 0.00 66.41 66.94 3iad h THR 499 Cb 0.48 1.40 -0.09 0.00 -1.74 0.00 0.00 68.15 68.20 3iad h THR 499 CO 0.02 0.13 0.16 0.44 0.37 0.00 0.00 175.52 176.64 3iad h ASP 500 N -0.37 0.05 -0.24 4.18 3.32 -1.06 -1.14 116.42 121.16 3iad h ASP 500 Ca -0.01 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3iad h ASP 500 Cb 0.31 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3iad h ASP 500 CO 0.02 0.03 -0.05 0.03 -1.72 0.00 0.00 179.24 177.55 3iad h ARG 501 N 0.29 0.46 -0.22 3.56 3.08 -1.19 -1.59 114.38 118.78 3iad h ARG 501 Ca 0.33 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 60.11 3iad h ARG 501 Cb 0.50 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3iad h ARG 501 CO -0.41 0.68 -0.32 0.97 -1.07 0.00 0.00 179.97 179.83 3iad h ILE 502 N 0.21 1.28 -0.29 2.04 6.09 -0.81 -2.08 117.51 123.94 3iad h ILE 502 Ca 0.06 -1.39 -0.18 0.00 -1.37 0.00 0.00 64.86 61.98 3iad h ILE 502 Cb 0.51 1.47 -0.00 0.00 0.47 0.00 0.00 36.82 39.26 3iad h ILE 502 CO 0.02 0.43 -0.53 0.24 -3.07 0.00 0.00 178.15 175.24 3iad h MET 503 N 0.38 0.87 -0.04 2.19 2.86 -1.17 -0.20 114.93 119.83 3iad h MET 503 Ca 0.05 -0.54 0.01 0.00 -2.06 0.00 0.00 59.70 57.16 3iad h MET 503 Cb 0.75 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 3iad h MET 503 CO 0.06 1.18 -0.03 1.49 1.06 0.00 0.00 176.91 180.67 3iad h GLU 504 N 0.67 -0.03 -0.75 1.72 4.81 -1.11 0.22 114.58 120.11 3iad h GLU 504 Ca 0.02 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3iad h GLU 504 Cb 1.14 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 3iad h GLU 504 CO 0.12 -0.02 0.45 1.49 -0.73 0.00 0.00 179.01 180.32 3iad h GLU 505 N -0.03 0.81 -0.15 1.92 4.81 -1.33 -1.06 114.58 119.54 3iad h GLU 505 Ca 0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3iad h GLU 505 Cb 0.06 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3iad h GLU 505 CO -0.05 0.53 0.10 0.74 -0.73 0.00 0.00 179.01 179.60 3iad h PHE 506 N 0.83 0.20 -0.52 0.92 -1.00 -0.47 -2.85 116.94 114.05 3iad h PHE 506 Ca 0.32 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 61.06 3iad h PHE 506 Cb 0.14 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 39.61 3iad h PHE 506 CO -0.05 0.14 0.12 0.74 -1.61 0.00 0.00 178.31 177.64 3iad h PHE 507 N 0.20 0.82 -0.69 -0.55 0.04 -0.10 -1.78 116.94 114.88 3iad h PHE 507 Ca 0.06 -0.07 0.02 0.00 2.80 0.00 0.00 57.97 60.77 3iad h PHE 507 Cb -0.01 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 37.86 3iad h PHE 507 CO -0.06 0.69 0.44 0.00 -0.60 0.00 0.00 178.31 178.78 3iad h ARG 508 N 0.77 0.85 -0.43 1.51 3.08 -1.10 0.47 114.38 119.52 3iad h ARG 508 Ca 0.17 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 3iad h ARG 508 Cb 0.29 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3iad h ARG 508 CO -0.00 0.56 0.22 0.37 -1.07 0.00 0.00 179.97 180.05 3iad h GLN 509 N 0.88 0.61 -0.66 0.04 4.15 -1.22 -1.45 115.11 117.46 3iad h GLN 509 Ca 0.27 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.57 3iad h GLN 509 Cb -0.03 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 3iad h GLN 509 CO -0.09 0.51 0.29 0.78 -1.93 0.00 0.00 178.83 178.40 3iad h GLY 510 N 0.55 1.01 0.93 2.39 0.00 -0.74 0.22 103.07 107.43 3iad h GLY 510 Ca 0.15 -0.50 0.02 0.00 0.00 0.00 0.00 47.33 47.00 3iad h GLY 510 CO -0.02 0.48 0.45 -0.55 0.00 0.00 0.00 176.54 176.90 3iad h ASP 511 N 0.94 0.76 -0.55 0.19 3.32 0.14 -0.10 116.42 121.11 3iad h ASP 511 Ca 0.23 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.16 3iad h ASP 511 Cb 0.13 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3iad h ASP 511 CO -0.03 0.53 -0.08 0.03 -1.72 0.00 0.00 179.24 177.97 3iad h ARG 512 N 0.90 1.03 -0.71 3.56 3.08 -0.39 -1.58 114.38 120.26 3iad h ARG 512 Ca 0.27 -0.37 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 3iad h ARG 512 Cb -0.03 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3iad h ARG 512 CO -0.09 1.06 0.33 0.93 -1.07 0.00 0.00 179.97 181.14 3iad h GLU 513 N 0.91 1.03 -0.11 0.04 5.08 -0.38 -2.92 114.58 118.22 3iad h GLU 513 Ca 0.15 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3iad h GLU 513 Cb 0.65 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 3iad h GLU 513 CO 0.04 0.82 0.00 -0.09 -1.00 0.00 0.00 179.01 178.79 3iad h ARG 514 N 1.00 0.20 -0.93 2.33 2.43 -0.87 -0.58 114.38 117.96 3iad h ARG 514 Ca 0.24 -0.06 0.26 0.00 -0.81 0.00 0.00 59.98 59.61 3iad h ARG 514 Cb 0.14 -0.02 -0.14 0.00 -0.42 0.00 0.00 29.97 29.53 3iad h ARG 514 CO -0.03 0.45 0.41 0.93 -1.51 0.00 0.00 179.97 180.22 3iad h GLU 515 N -0.07 0.32 -0.07 0.20 5.08 -1.24 -1.39 114.58 117.41 3iad h GLU 515 Ca 0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3iad h GLU 515 Cb 0.35 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3iad h GLU 515 CO 0.01 0.21 0.00 0.54 -1.00 0.00 0.00 179.01 178.77 3iad n ARG 516 N -5.09 1.65 -1.20 2.33 1.74 -1.11 -4.92 116.66 110.06 3iad n ARG 516 Ca 0.25 -0.95 -0.07 0.00 -0.77 0.00 0.00 57.85 56.31 3iad n ARG 516 Cb 0.77 -1.45 -0.03 0.00 -1.02 0.00 0.00 32.46 30.74 3iad n ARG 516 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iad n GLY 517 N 1.15 0.89 3.85 -0.13 0.00 -0.53 -5.02 105.19 105.40 3iad n GLY 517 Ca 0.18 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 3iad n GLY 517 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iad s MET 518 N -2.36 3.82 0.34 1.61 -1.94 -0.24 -5.03 119.30 115.49 3iad s MET 518 Ca 0.00 0.85 -0.29 0.00 -1.71 0.00 0.00 55.69 54.55 3iad s MET 518 Cb 0.00 -2.13 -0.11 0.00 2.01 0.00 0.00 34.83 34.60 3iad s MET 518 CO 0.00 -0.36 1.40 -2.00 -0.01 0.00 0.00 175.02 174.05 3iad s GLU 519 N -4.45 4.25 0.02 2.03 2.12 -1.26 -4.30 118.70 117.11 3iad s GLU 519 Ca 0.57 2.37 -0.29 0.00 0.36 0.00 0.00 54.97 57.98 3iad s GLU 519 Cb -0.10 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.21 3iad s GLU 519 CO 0.39 -0.36 0.93 0.42 -0.54 0.00 0.00 175.26 176.11 3iad s ILE 520 N -0.94 4.79 0.62 -3.70 1.01 -1.26 -4.86 121.20 116.85 3iad s ILE 520 Ca 0.52 1.97 -0.15 0.00 0.00 0.00 0.00 60.65 62.99 3iad s ILE 520 Cb -0.43 -4.28 -0.02 0.00 0.01 0.00 0.00 42.46 37.74 3iad s ILE 520 CO 0.55 0.22 1.08 -0.44 0.00 0.00 0.00 174.94 176.35 3iad s SER 521 N 0.67 5.51 0.15 3.58 0.01 -1.26 -4.92 113.70 117.44 3iad s SER 521 Ca 0.48 1.89 -0.34 0.00 1.31 0.00 0.00 55.95 59.29 3iad s SER 521 Cb -0.21 -2.54 -0.16 0.00 0.21 0.00 0.00 66.02 63.32 3iad s SER 521 CO 0.27 -1.35 1.21 -2.65 0.41 0.00 0.00 173.24 171.13 3iad n PRO 522 N -2.20 1.17 -1.05 12.44 -0.02 -1.26 -1.52 135.00 142.56 3iad n PRO 522 Ca 0.09 0.42 -0.02 0.00 -2.02 0.00 0.00 63.50 61.98 3iad n PRO 522 Cb 0.52 -1.96 -0.01 0.00 -0.02 0.00 0.00 33.50 32.04 3iad n PRO 522 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3iad n MET 523 N 1.95 -1.11 0.00 -0.52 2.81 -1.26 -4.87 117.12 114.12 3iad n MET 523 Ca 0.16 0.38 0.04 0.00 -1.81 0.00 0.00 57.70 56.47 3iad n MET 523 Cb 0.23 -4.27 0.01 0.00 -0.71 0.00 0.00 33.22 28.49 3iad n MET 523 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3iad s ASP 525 N -1.04 6.36 0.39 0.00 -1.08 -1.26 -3.90 116.67 116.15 3iad s ASP 525 Ca 0.09 0.03 0.28 0.00 -0.52 0.00 0.00 52.55 52.42 3iad s ASP 525 Cb 0.07 -2.29 0.96 0.00 -1.46 0.00 0.00 42.92 40.20 3iad s ASP 525 CO 0.17 -0.52 1.80 0.07 0.52 0.00 0.00 175.17 177.21 3iad h LYS 526 N 8.46 0.00 0.00 4.34 2.10 -1.91 -2.80 116.57 126.76 3iad h LYS 526 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3iad h LYS 526 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 3iad h LYS 526 CO 0.80 0.00 -0.56 0.45 -2.00 0.00 0.00 179.45 178.13 3iad h HIS 527 N 0.00 0.00 -2.24 0.07 3.86 -2.02 -3.42 115.15 111.40 3iad h HIS 527 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 3iad h HIS 527 Cb 0.61 0.00 -0.36 0.00 1.06 0.00 0.00 27.41 28.73 3iad h HIS 527 CO 0.00 0.00 -0.88 1.21 0.86 0.00 0.00 177.93 179.12 3iad s ASN 528 N -4.48 1.42 -0.29 2.45 2.47 -1.06 -5.11 114.94 110.35 3iad s ASN 528 Ca 0.06 -2.63 -0.15 0.00 0.42 0.00 0.00 52.86 50.57 3iad s ASN 528 Cb 0.12 -0.11 0.10 0.00 -1.45 0.00 0.00 41.25 39.91 3iad s ASN 528 CO 0.71 -0.20 0.70 0.00 -3.72 0.00 0.00 177.10 174.59 3iad s ALA 529 N 0.47 -1.95 -0.56 1.71 0.00 -1.24 -4.59 121.76 115.60 3iad s ALA 529 Ca 0.28 2.40 -0.10 0.00 0.00 0.00 0.00 51.96 54.54 3iad s ALA 529 Cb -0.04 -1.54 0.14 0.00 0.00 0.00 0.00 23.12 21.69 3iad s ALA 529 CO -0.13 -0.52 0.44 -1.12 0.00 0.00 0.00 175.76 174.43 3iad s SER 530 N 1.95 5.85 0.12 0.00 0.01 -1.26 -4.96 113.70 115.40 3iad s SER 530 Ca -0.09 -2.16 -0.19 0.00 1.31 0.00 0.00 55.95 54.82 3iad s SER 530 Cb -0.07 -2.04 -0.06 0.00 0.21 0.00 0.00 66.02 64.06 3iad s SER 530 CO -0.20 -0.65 1.74 0.58 0.41 0.00 0.00 173.24 175.13 3iad h VAL 531 N 5.78 1.09 -0.31 3.43 2.07 -1.99 -2.48 116.25 123.85 3iad h VAL 531 Ca -0.14 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 3iad h VAL 531 Cb 1.05 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3iad h VAL 531 CO 0.84 0.09 -0.05 -0.33 0.02 0.00 0.00 177.57 178.14 3iad h GLU 532 N 0.29 0.57 -0.33 1.57 3.07 -1.90 -2.31 114.58 115.53 3iad h GLU 532 Ca 0.08 -0.21 -0.08 0.00 -0.50 0.00 0.00 59.36 58.66 3iad h GLU 532 Cb 0.02 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 3iad h GLU 532 CO -0.02 0.75 -0.12 -0.22 -1.40 0.00 0.00 179.01 178.00 3iad h LYS 533 N 0.35 0.57 -0.03 2.33 3.64 -1.84 -2.78 116.57 118.80 3iad h LYS 533 Ca 0.08 -0.17 -0.16 0.00 -1.27 0.00 0.00 60.65 59.13 3iad h LYS 533 Cb 0.52 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3iad h LYS 533 CO 0.03 0.68 -0.70 0.77 -2.27 0.00 0.00 179.45 177.96 3iad h SER 534 N 0.52 0.20 -0.64 4.20 0.02 -1.30 -1.94 113.55 114.62 3iad h SER 534 Ca 0.09 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 3iad h SER 534 Cb 0.52 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 3iad h SER 534 CO 0.03 0.83 0.20 1.56 -1.14 0.00 0.00 176.83 178.31 3iad h GLN 535 N 0.12 1.00 -0.75 3.45 1.08 -1.22 0.10 115.11 118.88 3iad h GLN 535 Ca -0.02 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 56.94 3iad h GLN 535 Cb 1.24 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 28.49 3iad h GLN 535 CO 0.10 0.88 0.36 0.28 -0.95 0.00 0.00 178.83 179.50 3iad h VAL 536 N 0.92 1.24 -0.21 -0.54 2.07 -1.30 0.87 116.25 119.30 3iad h VAL 536 Ca 0.21 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3iad h VAL 536 Cb 0.30 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3iad h VAL 536 CO -0.01 0.29 0.05 1.23 0.02 0.00 0.00 177.57 179.16 3iad h GLY 537 N 1.06 0.35 0.40 2.17 0.00 -1.09 0.19 103.07 106.16 3iad h GLY 537 Ca 0.26 -0.22 0.08 0.00 0.00 0.00 0.00 47.33 47.46 3iad h GLY 537 CO -0.03 0.20 0.16 -2.75 0.00 0.00 0.00 176.54 174.12 3iad h PHE 538 N 0.15 0.28 -0.00 5.60 3.57 -0.62 0.54 116.94 126.45 3iad h PHE 538 Ca 0.07 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3iad h PHE 538 Cb 0.26 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 3iad h PHE 538 CO 0.01 0.05 0.00 0.82 -2.23 0.00 0.00 178.31 176.96 3iad h ILE 539 N 0.32 1.21 -0.41 1.41 2.04 -0.64 -1.02 117.51 120.42 3iad h ILE 539 Ca 0.27 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 3iad h ILE 539 Cb 0.33 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 3iad h ILE 539 CO -0.30 0.16 0.16 0.44 0.00 0.00 0.00 178.15 178.61 3iad h ASP 540 N -0.26 0.56 0.00 1.72 3.32 -0.24 -0.60 116.42 120.92 3iad h ASP 540 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3iad h ASP 540 Cb 0.26 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3iad h ASP 540 CO 0.00 0.57 -1.32 -1.22 -1.72 0.00 0.00 179.24 175.55 3iad n TYR 541 N -4.64 0.00 0.05 4.55 4.02 0.15 -4.51 117.16 116.77 3iad n TYR 541 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3iad n TYR 541 Cb 0.14 -0.16 0.00 0.00 -0.02 0.00 0.00 39.34 39.30 3iad n TYR 541 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3iad n ILE 542 N -1.74 0.28 -0.03 -0.72 5.41 -0.71 -4.84 119.36 117.01 3iad n ILE 542 Ca 0.01 0.09 -0.15 0.00 1.00 0.00 0.00 62.75 63.71 3iad n ILE 542 Cb 0.40 -0.97 -0.10 0.00 -0.71 0.00 0.00 39.64 38.26 3iad n ILE 542 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3iad h VAL 543 N 0.00 1.48 -0.59 1.39 2.07 -1.22 -2.80 116.25 116.58 3iad h VAL 543 Ca 0.00 -1.73 -0.10 0.00 0.82 0.00 0.00 66.70 65.69 3iad h VAL 543 Cb 0.22 2.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 3iad h VAL 543 CO 0.00 0.48 -0.02 -0.74 0.02 0.00 0.00 177.57 177.31 3iad h HIS 544 N -0.37 1.16 -0.60 1.57 -0.00 -1.34 -0.19 115.15 115.38 3iad h HIS 544 Ca -0.02 -0.21 -0.02 0.00 -0.00 0.00 0.00 60.37 60.12 3iad h HIS 544 Cb 0.90 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.98 3iad h HIS 544 CO 0.15 1.03 0.29 -1.35 -0.00 0.00 0.00 177.93 178.06 3iad h PRO 545 N 0.96 0.86 0.26 5.26 0.11 -1.76 -0.64 132.00 137.05 3iad h PRO 545 Ca 0.17 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 3iad h PRO 545 Cb 0.58 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3iad h PRO 545 CO 0.03 0.69 -0.13 1.25 -0.21 0.00 0.00 178.00 179.63 3iad h LEU 546 N 0.81 -0.30 -0.47 2.35 5.85 -1.29 -2.50 115.31 119.76 3iad h LEU 546 Ca 0.21 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.77 3iad h LEU 546 Cb 0.11 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 3iad h LEU 546 CO -0.03 -0.21 -0.60 -0.50 -0.34 0.00 0.00 178.44 176.76 3iad h TRP 547 N -0.36 0.70 -0.84 1.25 4.06 -1.01 -0.96 115.95 118.80 3iad h TRP 547 Ca -0.04 -0.26 -0.01 0.00 2.06 0.00 0.00 58.89 60.65 3iad h TRP 547 Cb 0.27 -0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.27 3iad h TRP 547 CO -0.06 1.00 0.50 1.49 -3.56 0.00 0.00 178.44 177.81 3iad h GLU 548 N 0.41 1.14 -0.38 0.49 4.81 -1.16 0.93 114.58 120.83 3iad h GLU 548 Ca -0.00 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 3iad h GLU 548 Cb 1.15 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 3iad h GLU 548 CO 0.11 0.81 -0.09 1.15 -0.73 0.00 0.00 179.01 180.25 3iad h THR 549 N 1.16 1.28 -0.45 0.32 2.02 -1.13 -1.87 112.91 114.23 3iad h THR 549 Ca 0.30 -1.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.29 3iad h THR 549 Cb -0.04 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3iad h THR 549 CO -0.06 0.39 0.20 -0.25 0.37 0.00 0.00 175.52 176.17 3iad h TRP 550 N 0.53 0.67 -0.97 3.16 2.91 -0.72 -1.92 115.95 119.61 3iad h TRP 550 Ca 0.09 -0.04 0.14 0.00 1.13 0.00 0.00 58.89 60.21 3iad h TRP 550 Cb 0.61 -0.20 -0.08 0.00 -0.51 0.00 0.00 29.16 28.97 3iad h TRP 550 CO 0.05 0.56 0.61 0.00 -1.03 0.00 0.00 178.44 178.63 3iad h ALA 551 N 1.04 1.65 -0.20 2.65 0.00 0.99 -0.60 119.26 124.79 3iad h ALA 551 Ca 0.15 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 3iad h ALA 551 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3iad h ALA 551 CO -0.02 0.09 -0.47 -0.44 0.00 0.00 0.00 179.25 178.42 3iad h ASP 552 N 0.86 0.56 -0.64 0.00 3.32 -1.05 -1.03 116.42 118.43 3iad h ASP 552 Ca 0.49 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 3iad h ASP 552 Cb 0.62 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 3iad h ASP 552 CO -0.26 0.94 0.28 0.25 -1.72 0.00 0.00 179.24 178.73 3iad h LEU 553 N 0.41 0.89 -3.22 1.55 5.85 -0.33 -3.17 115.31 117.29 3iad h LEU 553 Ca 0.02 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 3iad h LEU 553 Cb 0.98 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3iad h LEU 553 CO 0.09 0.79 -0.02 1.33 -0.34 0.00 0.00 178.44 180.29 3iad n VAL 554 N -4.31 2.26 -1.60 1.05 0.24 -0.80 -4.98 118.33 110.18 3iad n VAL 554 Ca 0.06 -2.10 -0.49 0.00 -2.04 0.00 0.00 64.34 59.77 3iad n VAL 554 Cb 0.17 -0.26 -0.04 0.00 -1.47 0.00 0.00 33.84 32.23 3iad n VAL 554 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3iad n HIS 555 N -0.79 1.54 -0.67 6.34 -0.00 -0.39 -0.75 115.22 120.49 3iad n HIS 555 Ca 0.22 0.61 0.08 0.00 -0.00 0.00 0.00 57.72 58.63 3iad n HIS 555 Cb 0.87 -2.33 0.37 0.00 -0.00 0.00 0.00 29.99 28.89 3iad n HIS 555 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3iad n PRO 556 N 2.03 4.12 -0.10 1.57 -0.04 -1.26 -4.98 135.00 136.34 3iad n PRO 556 Ca 0.15 -2.93 0.22 0.00 -0.04 0.00 0.00 63.50 60.90 3iad n PRO 556 Cb 0.25 -2.03 0.65 0.00 -0.04 0.00 0.00 33.50 32.34 3iad n PRO 556 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3iad h ASP 557 N 4.02 0.10 -0.67 3.54 3.32 -1.23 -2.65 116.42 122.85 3iad h ASP 557 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3iad h ASP 557 Cb 1.63 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.17 3iad h ASP 557 CO 0.32 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.89 3iad n ALA 558 N -2.63 2.45 -0.22 3.45 0.00 -1.26 -4.69 120.51 117.61 3iad n ALA 558 Ca 0.14 -1.34 -0.04 0.00 0.00 0.00 0.00 53.44 52.20 3iad n ALA 558 Cb 0.71 -0.87 0.06 0.00 0.00 0.00 0.00 19.45 19.34 3iad n ALA 558 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3iad h GLN 559 N 3.97 0.75 0.00 0.00 5.75 -1.83 -1.27 115.11 122.49 3iad h GLN 559 Ca 0.00 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.37 3iad h GLN 559 Cb 1.03 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 3iad h GLN 559 CO 0.03 0.50 -0.38 -0.44 -2.65 0.00 0.00 178.83 175.89 3iad h ASP 560 N 0.78 0.00 -0.42 -0.69 3.32 -1.85 0.14 116.42 117.69 3iad h ASP 560 Ca 0.25 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 3iad h ASP 560 Cb 0.01 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3iad h ASP 560 CO -0.10 0.38 0.02 0.40 -1.72 0.00 0.00 179.24 178.22 3iad h ILE 561 N 0.00 1.26 -0.23 0.35 2.04 -1.61 -1.86 117.51 117.47 3iad h ILE 561 Ca -0.00 -0.99 -0.17 0.00 1.00 0.00 0.00 64.86 64.70 3iad h ILE 561 Cb 0.71 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3iad h ILE 561 CO 0.05 0.34 -0.54 0.25 0.00 0.00 0.00 178.15 178.25 3iad h LEU 562 N 0.57 0.75 -0.03 1.44 5.85 -0.74 -2.65 115.31 120.49 3iad h LEU 562 Ca 0.12 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.48 3iad h LEU 562 Cb 0.46 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3iad h LEU 562 CO 0.02 1.14 -0.16 0.44 -0.34 0.00 0.00 178.44 179.54 3iad h ASP 563 N 0.52 -0.46 -0.99 1.25 3.32 -0.68 -2.70 116.42 116.69 3iad h ASP 563 Ca 0.01 0.07 0.08 0.00 0.02 0.00 0.00 57.03 57.22 3iad h ASP 563 Cb 1.10 0.20 -0.07 0.00 0.22 0.00 0.00 39.33 40.78 3iad h ASP 563 CO 0.11 -0.21 0.63 0.74 -1.72 0.00 0.00 179.24 178.79 3iad h THR 564 N -0.24 1.04 -0.21 0.35 2.02 -1.24 -1.92 112.91 112.71 3iad h THR 564 Ca 0.06 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 66.89 3iad h THR 564 Cb 0.32 -0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.54 3iad h THR 564 CO -0.17 0.20 0.01 0.25 0.37 0.00 0.00 175.52 176.18 3iad h LEU 565 N 1.10 -0.05 -0.66 2.58 5.85 -1.23 -0.68 115.31 122.23 3iad h LEU 565 Ca 0.44 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 59.15 3iad h LEU 565 Cb 0.26 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3iad h LEU 565 CO -0.20 0.00 0.20 -0.33 -0.34 0.00 0.00 178.44 177.78 3iad h GLU 566 N 0.09 1.02 -0.22 1.25 5.08 -1.06 0.12 114.58 120.85 3iad h GLU 566 Ca 0.10 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3iad h GLU 566 Cb 0.11 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3iad h GLU 566 CO -0.15 0.89 0.09 -0.44 -1.00 0.00 0.00 179.01 178.40 3iad h ASP 567 N 0.95 0.11 -0.29 1.42 3.32 -1.19 -2.22 116.42 118.52 3iad h ASP 567 Ca 0.21 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 3iad h ASP 567 Cb 0.30 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3iad h ASP 567 CO -0.01 0.09 0.09 0.78 -1.72 0.00 0.00 179.24 178.48 3iad h ASN 568 N 0.20 0.48 -0.17 6.45 2.35 -0.79 -1.78 115.58 122.32 3iad h ASN 568 Ca 0.09 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3iad h ASN 568 Cb 0.05 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3iad h ASN 568 CO -0.09 0.49 0.11 -0.09 -1.65 0.00 0.00 177.43 176.21 3iad h ARG 569 N 0.52 0.22 -0.04 0.81 2.43 -0.44 -2.47 114.38 115.41 3iad h ARG 569 Ca 0.12 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 3iad h ARG 569 Cb 0.20 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3iad h ARG 569 CO -0.00 0.15 -0.33 0.93 -1.51 0.00 0.00 179.97 179.20 3iad h GLU 570 N 0.23 0.07 -0.21 0.20 4.39 -1.01 -0.94 114.58 117.31 3iad h GLU 570 Ca 0.06 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 3iad h GLU 570 Cb -0.02 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3iad h GLU 570 CO -0.02 0.40 0.07 2.35 -1.16 0.00 0.00 179.01 180.65 3iad h TRP 571 N 0.06 0.33 -0.43 4.33 7.01 -1.09 -0.99 115.95 125.17 3iad h TRP 571 Ca 0.01 -0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.88 3iad h TRP 571 Cb 0.62 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 3iad h TRP 571 CO 0.00 0.40 -0.09 1.88 -2.79 0.00 0.00 178.44 177.84 3iad h TYR 572 N 0.17 0.92 -0.87 2.65 0.05 -1.20 -2.93 116.97 115.77 3iad h TYR 572 Ca 0.07 -0.20 0.11 0.00 0.05 0.00 0.00 58.73 58.76 3iad h TYR 572 Cb 0.22 -0.23 -0.08 0.00 1.01 0.00 0.00 36.73 37.65 3iad h TYR 572 CO -0.00 0.93 0.50 0.37 -1.05 0.00 0.00 178.16 178.91 3iad h GLN 573 N 0.65 0.77 0.00 4.88 5.75 -1.13 -1.23 115.11 124.80 3iad h GLN 573 Ca 0.11 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3iad h GLN 573 Cb 0.63 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.00 3iad h GLN 573 CO 0.04 0.51 0.00 -1.13 -2.65 0.00 0.00 178.83 175.60 3iad n SER 574 N -4.74 0.00 -0.16 -0.69 3.41 -0.38 -3.03 113.62 108.03 3iad n SER 574 Ca 0.15 -0.83 0.06 0.00 -0.26 0.00 0.00 58.87 57.99 3iad n SER 574 Cb 0.33 -0.03 0.10 0.00 -0.26 0.00 0.00 64.21 64.35 3iad n SER 574 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3iad n THR 575 N -1.03 1.52 -2.46 6.66 -2.24 -0.48 -5.02 114.28 111.24 3iad n THR 575 Ca 0.21 -1.66 -0.42 0.00 -2.27 0.00 0.00 64.05 59.90 3iad n THR 575 Cb 0.11 0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 3iad n THR 575 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3iad s ILE 576 N -2.03 4.22 -0.05 2.28 1.01 -1.15 -4.90 121.20 120.59 3iad s ILE 576 Ca 0.20 1.57 -0.30 0.00 0.00 0.00 0.00 60.65 62.12 3iad s ILE 576 Cb 0.17 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 3iad s ILE 576 CO 0.03 0.04 1.01 -2.16 0.00 0.00 0.00 174.94 173.86 3iad s PRO 577 N 1.81 4.49 -0.30 2.79 0.04 -1.26 -5.11 135.00 137.46 3iad s PRO 577 Ca 0.57 1.43 -0.28 0.00 0.04 0.00 0.00 61.00 62.76 3iad s PRO 577 Cb -0.26 -3.50 0.01 0.00 0.04 0.00 0.00 34.50 30.80 3iad s PRO 577 CO 0.24 -0.19 1.03 -0.65 0.04 0.00 0.00 177.00 177.47 3iad s GLN 578 N 1.51 4.10 0.00 4.56 1.11 -1.26 -5.12 119.66 124.56 3iad s GLN 578 Ca 0.51 1.08 0.00 0.00 0.01 0.00 0.00 55.36 56.96 3iad s GLN 578 Cb -0.20 -3.71 0.00 0.00 -1.01 0.00 0.00 33.01 28.09 3iad s GLN 578 CO 0.23 -0.81 0.00 0.41 0.01 0.00 0.00 175.29 175.14 3iad n GLY 593 N 3.77 0.00 3.51 3.09 0.00 -1.26 -5.32 105.19 108.99 3iad n GLY 593 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3iad n GLY 593 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iad s ASN 594 N 0.00 6.30 0.40 1.61 2.47 -1.26 -4.96 114.94 119.50 3iad s ASN 594 Ca 0.00 -0.42 0.14 0.00 0.42 0.00 0.00 52.86 53.00 3iad s ASN 594 Cb 0.00 -2.31 0.82 0.00 -1.45 0.00 0.00 41.25 38.30 3iad s ASN 594 CO 0.00 -0.79 1.87 1.56 -3.72 0.00 0.00 177.10 176.03 3iad h GLN 595 N 8.89 0.00 0.27 0.43 4.20 -1.98 -2.35 115.11 124.56 3iad h GLN 595 Ca -0.26 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 3iad h GLN 595 Cb 1.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.88 3iad h GLN 595 CO 0.90 0.32 -0.13 0.28 -0.67 0.00 0.00 178.83 179.53 3iad h VAL 596 N 0.00 0.77 -0.67 -0.54 2.07 -1.97 0.31 116.25 116.22 3iad h VAL 596 Ca -0.00 -0.27 0.11 0.00 0.82 0.00 0.00 66.70 67.36 3iad h VAL 596 Cb 0.57 0.92 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 3iad h VAL 596 CO 0.04 0.06 0.27 -1.28 0.02 0.00 0.00 177.57 176.68 3iad h SER 597 N -0.50 0.27 0.36 0.57 0.87 -1.95 -1.17 113.55 112.00 3iad h SER 597 Ca -0.04 0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.50 3iad h SER 597 Cb 0.37 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3iad h SER 597 CO 0.06 0.14 -0.48 -0.33 -0.53 0.00 0.00 176.83 175.69 3iad h GLU 598 N 0.45 0.15 0.05 2.24 5.08 -1.28 -1.78 114.58 119.49 3iad h GLU 598 Ca 0.35 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3iad h GLU 598 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3iad h GLU 598 CO -0.33 0.60 -0.02 0.35 -1.00 0.00 0.00 179.01 178.60 3iad h PHE 599 N 0.12 -0.06 0.00 4.33 3.04 -0.20 -2.64 116.94 121.53 3iad h PHE 599 Ca 0.00 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 3iad h PHE 599 Cb 0.90 0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.43 3iad h PHE 599 CO 0.01 0.33 -0.00 0.82 -2.02 0.00 0.00 178.31 177.45 3iad h ILE 600 N -0.47 1.07 -0.94 1.41 2.04 -1.21 0.08 117.51 119.49 3iad h ILE 600 Ca -0.01 -0.21 0.07 0.00 1.00 0.00 0.00 64.86 65.72 3iad h ILE 600 Cb 0.42 1.21 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 3iad h ILE 600 CO 0.01 0.05 0.59 -1.28 0.00 0.00 0.00 178.15 177.53 3iad h SER 601 N -0.09 0.93 1.08 1.72 0.87 -1.42 -1.89 113.55 114.75 3iad h SER 601 Ca -0.00 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.43 3iad h SER 601 Cb 0.09 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 3iad h SER 601 CO 0.00 0.59 -0.97 0.78 -0.53 0.00 0.00 176.83 176.69 3iad h ASN 602 N 1.06 0.00 0.12 6.23 4.21 -1.29 -3.31 115.58 122.61 3iad h ASN 602 Ca 0.41 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 57.56 3iad h ASN 602 Cb 0.21 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.38 3iad h ASN 602 CO -0.18 0.59 -2.05 0.41 -1.29 0.00 0.00 177.43 174.91 3iad n THR 603 N -3.09 1.74 0.19 2.81 -1.04 -0.00 -4.68 114.28 110.21 3iad n THR 603 Ca -0.04 -0.65 0.05 0.00 -2.04 0.00 0.00 64.05 61.37 3iad n THR 603 Cb 0.81 -1.66 -0.07 0.00 -1.82 0.00 0.00 70.33 67.58 3iad n THR 603 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3iad n PHE 604 N -3.43 0.00 -3.51 -1.42 3.01 -0.72 -2.02 117.46 109.36 3iad n PHE 604 Ca -0.33 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 57.83 3iad n PHE 604 Cb 1.04 -0.14 -0.04 0.00 -0.01 0.00 0.00 39.48 40.33 3iad n PHE 604 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3iad s LEU 605 N -3.23 4.17 0.00 4.37 1.43 -1.24 -3.38 118.68 120.79 3iad s LEU 605 Ca -0.01 0.66 0.16 0.00 -1.03 0.00 0.00 54.13 53.92 3iad s LEU 605 Cb 0.07 -3.44 0.98 0.00 0.03 0.00 0.00 46.19 43.83 3iad s LEU 605 CO 0.43 -0.08 1.38 -0.67 0.23 0.00 0.00 176.35 177.64