#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iad h GLU 253 N 0.00 -0.49 -0.70 -0.78 4.22 -2.06 -2.69 114.58 112.08 3iad h GLU 253 Ca 0.00 0.03 0.11 0.00 0.08 0.00 0.00 59.36 59.59 3iad h GLU 253 Cb 0.00 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.28 3iad h GLU 253 CO 0.00 -0.33 0.30 -0.56 -2.18 0.00 0.00 179.01 176.24 3iad h GLN 254 N -1.13 0.47 0.00 1.92 -0.00 -1.99 -1.70 115.11 112.67 3iad h GLN 254 Ca -0.05 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.53 3iad h GLN 254 Cb 0.39 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.48 27.76 3iad h GLN 254 CO 0.09 0.31 -0.18 1.49 -0.00 0.00 0.00 178.83 180.54 3iad h GLU 255 N 0.48 0.00 0.01 0.06 4.81 -1.92 0.31 114.58 118.33 3iad h GLU 255 Ca 0.36 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.35 3iad h GLU 255 Cb 0.48 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.86 3iad h GLU 255 CO -0.33 0.18 -1.00 0.22 -0.73 0.00 0.00 179.01 177.35 3iad h ASP 256 N 0.00 0.65 -0.15 1.04 -0.00 -0.97 -2.35 116.42 114.64 3iad h ASP 256 Ca -0.00 -0.53 -0.09 0.00 -0.00 0.00 0.00 57.03 56.41 3iad h ASP 256 Cb 0.38 -0.20 -0.00 0.00 -0.00 0.00 0.00 39.33 39.51 3iad h ASP 256 CO 0.02 1.34 -0.25 0.58 -0.00 0.00 0.00 179.24 180.93 3iad h VAL 257 N 0.27 1.36 -0.44 2.25 2.07 -0.71 -0.48 116.25 120.57 3iad h VAL 257 Ca -0.10 -1.48 0.07 0.00 0.82 0.00 0.00 66.70 66.00 3iad h VAL 257 Cb 1.64 1.96 -0.06 0.00 -1.52 0.00 0.00 31.29 33.31 3iad h VAL 257 CO 0.18 0.44 0.11 0.25 0.02 0.00 0.00 177.57 178.57 3iad h LEU 258 N 0.05 0.04 -1.05 2.57 5.85 -0.50 0.13 115.31 122.41 3iad h LEU 258 Ca 0.01 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 3iad h LEU 258 Cb 0.83 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3iad h LEU 258 CO 0.06 0.06 -0.12 0.00 -0.34 0.00 0.00 178.44 178.09 3iad h ALA 259 N 1.33 1.21 -0.23 1.25 0.00 -1.42 -0.50 119.26 120.90 3iad h ALA 259 Ca 0.22 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iad h ALA 259 Cb 0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3iad h ALA 259 CO -0.27 0.51 0.14 -0.22 0.00 0.00 0.00 179.25 179.41 3iad h LYS 260 N 0.49 0.31 -0.44 0.00 1.63 0.12 -2.80 116.57 115.88 3iad h LYS 260 Ca 0.09 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.74 3iad h LYS 260 Cb 0.51 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 3iad h LYS 260 CO 0.03 0.24 -0.20 0.93 -3.45 0.00 0.00 179.45 176.99 3iad h GLU 261 N 0.29 0.88 0.00 1.90 4.39 -0.56 -3.05 114.58 118.43 3iad h GLU 261 Ca 0.08 -0.36 -0.00 0.00 0.34 0.00 0.00 59.36 59.42 3iad h GLU 261 Cb 0.01 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3iad h GLU 261 CO -0.02 1.00 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.75 3iad h LEU 262 N 0.77 0.00 -2.05 1.33 3.38 -0.95 -2.15 115.31 115.64 3iad h LEU 262 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3iad h LEU 262 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3iad h LEU 262 CO 0.06 0.02 0.00 -0.33 0.09 0.00 0.00 178.44 178.27 3iad h GLU 263 N 0.00 0.00 -0.54 1.13 5.08 -1.38 -2.02 114.58 116.85 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 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 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 -2.63 2.63 0.08 1.42 8.00 -0.81 -4.54 116.55 120.69 3iad n ASP 264 Ca -0.02 -2.19 0.18 0.00 0.71 0.00 0.00 54.79 53.47 3iad n ASP 264 Cb 0.07 -0.39 0.71 0.00 -0.02 0.00 0.00 41.12 41.49 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 2.20 0.70 -0.00 2.53 3.04 -1.57 0.21 116.25 123.35 3iad h VAL 265 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3iad h VAL 265 Cb 0.82 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 3iad h VAL 265 CO 0.10 0.00 -0.09 0.59 -1.01 0.00 0.00 177.57 177.16 3iad n ASN 266 N -4.25 0.39 -4.79 3.17 3.02 -1.26 -4.77 115.26 106.76 3iad n ASN 266 Ca 0.06 -0.53 -0.36 0.00 -0.03 0.00 0.00 54.58 53.72 3iad n ASN 266 Cb 0.49 -0.10 -0.07 0.00 -0.61 0.00 0.00 39.78 39.48 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 -2.46 3.90 -0.12 3.52 1.02 0.73 -4.83 119.74 121.49 3iad s LYS 267 Ca 0.30 -0.13 -0.29 0.00 0.02 0.00 0.00 55.97 55.86 3iad s LYS 267 Cb 0.20 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 3iad s LYS 267 CO 0.47 0.50 1.63 -0.46 -0.92 0.00 0.00 175.35 176.57 3iad s TRP 268 N -0.22 2.05 0.00 3.18 -0.11 -1.26 -2.75 118.94 119.82 3iad s TRP 268 Ca 0.12 0.37 0.00 0.00 1.22 0.00 0.00 56.10 57.81 3iad s TRP 268 Cb -0.12 -3.91 0.00 0.00 -1.50 0.00 0.00 33.47 27.94 3iad s TRP 268 CO 0.01 -3.43 0.00 0.41 -4.62 0.00 0.00 176.95 169.32 3iad n GLY 269 N 4.31 1.39 3.61 5.86 0.00 -1.26 -4.95 105.19 114.15 3iad n GLY 269 Ca 0.18 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.73 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 2.07 -4.06 0.99 7.94 -1.11 -4.85 117.00 117.97 3iad n LEU 270 Ca 0.00 1.15 -0.39 0.00 -1.11 0.00 0.00 56.01 55.66 3iad n LEU 270 Cb 0.00 -1.30 -0.04 0.00 0.53 0.00 0.00 43.42 42.62 3iad n LEU 270 CO 0.00 -1.08 2.06 1.41 -1.11 0.00 0.00 177.39 178.67 3iad n HIS 271 N 1.32 2.96 0.03 1.96 8.25 -1.26 -4.75 115.22 123.72 3iad n HIS 271 Ca 0.13 -2.16 -0.04 0.00 -0.26 0.00 0.00 57.72 55.39 3iad n HIS 271 Cb 0.28 -2.29 0.18 0.00 1.12 0.00 0.00 29.99 29.28 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 5.00 1.29 -0.14 1.59 3.04 -1.99 -1.82 116.25 123.22 3iad h VAL 272 Ca 0.41 -1.41 -0.17 0.00 -1.01 0.00 0.00 66.70 64.51 3iad h VAL 272 Cb 0.77 1.49 -0.00 0.00 -2.01 0.00 0.00 31.29 31.53 3iad h VAL 272 CO 1.67 0.44 -0.64 -0.26 -1.01 0.00 0.00 177.57 177.77 3iad h PHE 273 N 0.38 0.66 -0.49 3.17 0.04 -1.96 -1.64 116.94 117.09 3iad h PHE 273 Ca 0.05 -0.26 -0.04 0.00 2.80 0.00 0.00 57.97 60.52 3iad h PHE 273 Cb 0.77 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.78 3iad h PHE 273 CO 0.02 1.00 0.16 -0.09 -0.60 0.00 0.00 178.31 178.81 3iad h ARG 274 N 0.37 0.76 -0.85 1.51 9.65 -1.89 -2.47 114.38 121.46 3iad h ARG 274 Ca -0.01 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3iad h ARG 274 Cb 1.20 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.63 3iad h ARG 274 CO 0.12 0.71 0.55 0.82 2.80 0.00 0.00 179.97 184.96 3iad h ILE 275 N 0.66 1.23 -0.67 1.20 2.04 -1.26 -1.97 117.51 118.73 3iad h ILE 275 Ca 0.16 -0.44 0.12 0.00 1.00 0.00 0.00 64.86 65.70 3iad h ILE 275 Cb 0.26 -0.01 -0.09 0.00 -0.74 0.00 0.00 36.82 36.25 3iad h ILE 275 CO -0.01 0.22 0.24 0.00 0.00 0.00 0.00 178.15 178.61 3iad h ALA 276 N 1.30 0.89 -0.22 1.87 0.00 -0.96 -0.69 119.26 121.45 3iad h ALA 276 Ca 0.31 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.24 3iad h ALA 276 Cb -0.10 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3iad h ALA 276 CO -0.06 -0.22 -0.19 0.93 0.00 0.00 0.00 179.25 179.70 3iad h GLU 277 N 0.40 0.51 -0.10 0.00 5.08 -0.99 0.12 114.58 119.61 3iad h GLU 277 Ca 0.36 -0.26 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 3iad h GLU 277 Cb 0.51 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3iad h GLU 277 CO -0.37 0.84 -0.54 -0.07 -1.00 0.00 0.00 179.01 177.87 3iad h LEU 278 N 0.20 0.30 0.00 1.33 3.38 -1.18 -3.09 115.31 116.25 3iad h LEU 278 Ca 0.04 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3iad h LEU 278 Cb 0.73 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3iad h LEU 278 CO 0.05 0.79 0.00 -1.54 0.09 0.00 0.00 178.44 177.82 3iad n SER 279 N -3.93 0.00 -1.11 -0.43 3.41 -0.28 -4.87 113.62 106.41 3iad n SER 279 Ca -0.02 -0.43 -0.06 0.00 -0.26 0.00 0.00 58.87 58.10 3iad n SER 279 Cb 0.57 -0.15 0.01 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.78 0.43 3.05 5.00 0.00 -1.17 -3.62 105.19 109.66 3iad n GLY 280 Ca 0.16 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 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 0.50 -3.03 -2.58 1.61 5.15 0.42 -4.99 115.26 112.35 3iad n ASN 281 Ca -0.02 -0.49 -0.16 0.00 -0.60 0.00 0.00 54.58 53.31 3iad n ASN 281 Cb 0.53 -4.27 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 -3.74 2.13 -0.07 1.20 5.12 -1.24 -4.93 116.66 115.13 3iad n ARG 282 Ca -0.17 -3.79 -0.04 0.00 -1.93 0.00 0.00 57.85 51.92 3iad n ARG 282 Cb 0.61 -1.68 0.18 0.00 -1.16 0.00 0.00 32.46 30.41 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 2.81 0.70 -0.63 5.56 0.13 -1.83 -2.57 132.00 136.17 3iad h PRO 283 Ca 0.07 -0.20 -0.04 0.00 -0.87 0.00 0.00 66.00 64.96 3iad h PRO 283 Cb 1.08 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.11 3iad h PRO 283 CO 0.64 0.76 0.26 1.25 -0.23 0.00 0.00 178.00 180.68 3iad h LEU 284 N 0.65 0.87 0.08 1.56 5.85 -1.92 -1.81 115.31 120.60 3iad h LEU 284 Ca 0.12 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3iad h LEU 284 Cb 0.50 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3iad h LEU 284 CO 0.03 0.80 -0.04 0.74 -0.34 0.00 0.00 178.44 179.63 3iad h THR 285 N 0.89 1.14 -0.41 1.05 2.02 -1.80 -1.39 112.91 114.40 3iad h THR 285 Ca 0.21 -0.86 -0.11 0.00 0.77 0.00 0.00 66.41 66.41 3iad h THR 285 Cb 0.20 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 3iad h THR 285 CO -0.02 0.21 -0.20 -0.37 0.37 0.00 0.00 175.52 175.51 3iad h VAL 286 N -0.51 1.27 -0.02 3.16 -1.51 -1.49 -1.13 116.25 116.02 3iad h VAL 286 Ca -0.01 -1.31 -0.02 0.00 -1.23 0.00 0.00 66.70 64.13 3iad h VAL 286 Cb 0.43 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 3iad h VAL 286 CO 0.02 0.44 -0.06 0.40 -1.23 0.00 0.00 177.57 177.14 3iad h ILE 287 N 0.71 1.48 -0.45 7.19 2.04 -1.40 -1.99 117.51 125.09 3iad h ILE 287 Ca 0.10 -1.51 0.07 0.00 1.00 0.00 0.00 64.86 64.52 3iad h ILE 287 Cb 0.71 2.45 -0.06 0.00 -0.74 0.00 0.00 36.82 39.19 3iad h ILE 287 CO 0.05 0.40 0.13 0.24 0.00 0.00 0.00 178.15 178.98 3iad h MET 288 N -0.52 0.28 0.79 2.37 2.86 -1.26 -0.01 114.93 119.44 3iad h MET 288 Ca -0.00 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3iad h MET 288 Cb 0.69 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 3iad h MET 288 CO 0.01 0.18 -0.49 1.25 1.06 0.00 0.00 176.91 178.92 3iad h HIS 289 N 0.29 -1.31 -0.88 -0.22 -0.00 -1.25 -0.61 115.15 111.16 3iad h HIS 289 Ca 0.22 -0.01 0.22 0.00 -0.00 0.00 0.00 60.37 60.80 3iad h HIS 289 Cb 0.25 0.47 -0.13 0.00 -0.00 0.00 0.00 27.41 28.00 3iad h HIS 289 CO -0.18 -0.73 0.35 1.15 -0.00 0.00 0.00 177.93 178.52 3iad h THR 290 N -1.20 0.45 -0.34 6.26 2.02 -1.19 -0.71 112.91 118.20 3iad h THR 290 Ca -0.11 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 66.89 3iad h THR 290 Cb 0.96 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3iad h THR 290 CO 0.10 0.07 -0.03 0.40 0.37 0.00 0.00 175.52 176.43 3iad h ILE 291 N 0.36 1.27 -0.70 3.11 2.04 -0.73 0.26 117.51 123.11 3iad h ILE 291 Ca 0.55 -1.03 0.04 0.00 1.00 0.00 0.00 64.86 65.41 3iad h ILE 291 Cb 1.05 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 3iad h ILE 291 CO -0.55 0.34 0.43 -0.26 0.00 0.00 0.00 178.15 178.11 3iad h PHE 292 N 0.42 0.80 -0.07 1.37 -1.00 0.00 0.84 116.94 119.30 3iad h PHE 292 Ca 0.09 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.89 3iad h PHE 292 Cb 0.50 -0.26 -0.00 0.00 3.61 0.00 0.00 35.95 39.80 3iad h PHE 292 CO 0.04 0.44 0.03 1.96 -1.61 0.00 0.00 178.31 179.17 3iad h GLN 293 N 0.83 0.11 -0.92 1.51 4.20 -0.99 0.97 115.11 120.82 3iad h GLN 293 Ca 0.29 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.07 3iad h GLN 293 Cb 0.07 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.76 3iad h GLN 293 CO -0.13 0.23 0.59 1.49 -0.67 0.00 0.00 178.83 180.34 3iad h GLU 294 N -0.03 0.94 -0.02 1.46 4.57 0.12 -1.43 114.58 120.19 3iad h GLU 294 Ca 0.03 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3iad h GLU 294 Cb 0.16 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 3iad h GLU 294 CO -0.00 0.62 -0.02 0.54 -1.18 0.00 0.00 179.01 178.97 3iad n ARG 295 N -4.52 1.95 -3.37 1.92 1.74 0.24 -4.98 116.66 109.64 3iad n ARG 295 Ca 0.15 -1.41 -0.19 0.00 -0.77 0.00 0.00 57.85 55.63 3iad n ARG 295 Cb 0.27 -1.47 0.07 0.00 -1.02 0.00 0.00 32.46 30.30 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 0.71 -5.06 0.03 0.55 2.03 0.12 -4.93 116.55 109.99 3iad n ASP 296 Ca 0.16 -0.45 -0.11 0.00 0.52 0.00 0.00 54.79 54.91 3iad n ASP 296 Cb 0.47 -4.23 -0.13 0.00 -0.72 0.00 0.00 41.12 36.51 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 -2.12 0.12 -0.33 -2.67 3.38 -1.22 -2.71 115.31 109.76 3iad h LEU 297 Ca -0.47 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 57.38 3iad h LEU 297 Cb 1.30 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 3iad h LEU 297 CO 0.45 1.15 0.02 -0.07 0.09 0.00 0.00 178.44 180.08 3iad h LEU 298 N 0.02 -0.09 -0.13 1.67 4.07 -1.88 -1.45 115.31 117.53 3iad h LEU 298 Ca -0.18 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 57.83 3iad h LEU 298 Cb 1.93 0.12 -0.00 0.00 1.08 0.00 0.00 40.66 43.78 3iad h LEU 298 CO 0.12 -0.01 0.00 0.50 -1.08 0.00 0.00 178.44 177.97 3iad h LYS 299 N 0.12 0.23 -0.55 1.13 3.64 -1.87 0.18 116.57 119.45 3iad h LYS 299 Ca 0.16 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 3iad h LYS 299 Cb 0.21 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3iad h LYS 299 CO -0.25 0.47 0.05 1.15 -2.27 0.00 0.00 179.45 178.60 3iad h THR 300 N -0.03 1.25 -0.42 1.00 2.02 -1.35 -3.10 112.91 112.28 3iad h THR 300 Ca 0.04 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.22 3iad h THR 300 Cb 0.36 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3iad h THR 300 CO 0.01 0.36 0.00 0.49 0.37 0.00 0.00 175.52 176.75 3iad n PHE 301 N -4.22 0.96 -3.85 3.16 3.72 -0.56 -4.99 117.46 111.68 3iad n PHE 301 Ca 0.03 -0.66 -0.29 0.00 -0.05 0.00 0.00 57.45 56.49 3iad n PHE 301 Cb 0.29 -0.19 0.01 0.00 -0.94 0.00 0.00 39.48 38.65 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 0.40 -2.30 -3.04 -1.08 5.02 -0.61 -4.46 118.16 112.09 3iad n LYS 302 Ca 0.19 0.40 -0.43 0.00 -2.02 0.00 0.00 58.31 56.46 3iad n LYS 302 Cb 0.73 -4.24 -0.06 0.00 -0.02 0.00 0.00 35.03 31.44 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 -3.73 4.74 0.49 -0.18 1.01 0.53 -4.64 121.20 119.42 3iad s ILE 303 Ca 0.22 0.29 -0.24 0.00 0.00 0.00 0.00 60.65 60.92 3iad s ILE 303 Cb -0.09 -4.26 -0.07 0.00 0.01 0.00 0.00 42.46 38.06 3iad s ILE 303 CO 0.88 -0.64 1.40 -2.65 0.00 0.00 0.00 174.94 173.93 3iad n PRO 304 N 6.47 2.03 -0.02 2.79 -0.02 -1.26 -4.80 135.00 140.19 3iad n PRO 304 Ca 0.00 0.73 -0.12 0.00 -2.02 0.00 0.00 63.50 62.09 3iad n PRO 304 Cb 0.48 -2.60 0.01 0.00 -0.02 0.00 0.00 33.50 31.36 3iad n PRO 304 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3iad h VAL 305 N 1.95 1.31 -0.79 -1.45 3.04 -1.97 -1.81 116.25 116.53 3iad h VAL 305 Ca -0.51 -1.82 0.03 0.00 -1.01 0.00 0.00 66.70 63.39 3iad h VAL 305 Cb 1.28 1.77 -0.05 0.00 -2.01 0.00 0.00 31.29 32.29 3iad h VAL 305 CO 0.59 0.58 0.50 -2.24 -1.01 0.00 0.00 177.57 175.99 3iad h ASP 306 N 0.51 0.83 -0.40 3.17 -0.00 -1.98 -1.48 116.42 117.06 3iad h ASP 306 Ca 0.00 -0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 56.94 3iad h ASP 306 Cb 1.16 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 40.30 3iad h ASP 306 CO 0.12 0.57 -0.08 0.74 -0.00 0.00 0.00 179.24 180.59 3iad h THR 307 N 0.98 1.27 -0.09 1.15 2.02 -1.73 -1.51 112.91 114.99 3iad h THR 307 Ca 0.32 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 3iad h THR 307 Cb 0.02 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3iad h THR 307 CO -0.12 0.39 0.03 0.25 0.37 0.00 0.00 175.52 176.44 3iad h LEU 308 N 0.58 0.14 -0.99 2.58 5.85 -1.17 -0.67 115.31 121.64 3iad h LEU 308 Ca 0.10 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.64 3iad h LEU 308 Cb 0.60 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 3iad h LEU 308 CO 0.04 0.31 0.65 0.40 -0.34 0.00 0.00 178.44 179.50 3iad h ILE 309 N -0.04 1.20 -0.41 4.05 2.04 -1.26 0.55 117.51 123.64 3iad h ILE 309 Ca 0.03 -0.44 -0.14 0.00 1.00 0.00 0.00 64.86 65.31 3iad h ILE 309 Cb 0.22 -0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 3iad h ILE 309 CO -0.00 0.23 -0.30 0.74 0.00 0.00 0.00 178.15 178.82 3iad h THR 310 N 1.29 1.27 -0.03 -0.27 2.02 -1.07 -1.41 112.91 114.71 3iad h THR 310 Ca 0.38 -1.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.09 3iad h THR 310 Cb -0.06 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3iad h THR 310 CO -0.11 0.49 0.00 0.22 0.37 0.00 0.00 175.52 176.50 3iad h TYR 311 N 0.75 0.06 -0.79 3.16 3.20 -0.86 -1.92 116.97 120.57 3iad h TYR 311 Ca 0.08 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.01 3iad h TYR 311 Cb 0.89 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.09 3iad h TYR 311 CO 0.06 0.30 0.51 -0.07 -1.64 0.00 0.00 178.16 177.33 3iad h LEU 312 N -0.20 0.72 -0.36 2.82 3.38 -0.82 0.16 115.31 121.00 3iad h LEU 312 Ca 0.01 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 3iad h LEU 312 Cb 0.28 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3iad h LEU 312 CO 0.00 0.46 -0.82 0.24 0.09 0.00 0.00 178.44 178.40 3iad h MET 313 N 0.81 0.16 -0.35 1.13 2.86 -1.21 -1.54 114.93 116.79 3iad h MET 313 Ca 0.35 -0.16 -0.17 0.00 -2.06 0.00 0.00 59.70 57.65 3iad h MET 313 Cb 0.29 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 3iad h MET 313 CO -0.12 0.89 -0.44 1.15 1.06 0.00 0.00 176.91 179.45 3iad h THR 314 N 0.09 1.27 -0.41 2.22 2.02 -0.49 -2.70 112.91 114.91 3iad h THR 314 Ca -0.03 -1.62 -0.06 0.00 0.77 0.00 0.00 66.41 65.48 3iad h THR 314 Cb 1.43 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 69.28 3iad h THR 314 CO 0.12 0.54 0.03 0.25 0.37 0.00 0.00 175.52 176.83 3iad h LEU 315 N 0.73 0.68 -0.80 2.58 5.85 -0.97 -2.83 115.31 120.56 3iad h LEU 315 Ca 0.05 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.49 3iad h LEU 315 Cb 1.04 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 3iad h LEU 315 CO 0.10 0.80 0.53 -0.08 -0.34 0.00 0.00 178.44 179.45 3iad h GLU 316 N 0.54 1.05 0.00 1.25 4.81 -1.29 -2.61 114.58 118.33 3iad h GLU 316 Ca 0.12 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3iad h GLU 316 Cb 0.43 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3iad h GLU 316 CO 0.02 0.69 0.00 -0.44 -0.73 0.00 0.00 179.01 178.55 3iad h ASP 317 N 1.08 0.00 -0.22 1.04 3.45 -1.31 -1.85 116.42 118.61 3iad h ASP 317 Ca 0.30 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.76 3iad h ASP 317 Cb -0.11 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.66 3iad h ASP 317 CO -0.07 0.00 0.00 1.41 -1.57 0.00 0.00 179.24 179.01 3iad n HIS 318 N -3.04 0.28 -3.37 4.55 8.25 -0.99 -4.76 115.22 116.14 3iad n HIS 318 Ca -0.00 -0.14 -0.34 0.00 -0.26 0.00 0.00 57.72 56.98 3iad n HIS 318 Cb 0.25 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.30 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 -1.72 3.53 -0.31 4.41 1.51 -0.70 -0.57 117.35 123.51 3iad s TYR 319 Ca 0.33 1.00 -0.20 0.00 -1.01 0.00 0.00 57.07 57.19 3iad s TYR 319 Cb 0.18 -2.34 -0.01 0.00 -0.11 0.00 0.00 41.96 39.68 3iad s TYR 319 CO 0.27 0.36 0.60 -1.01 -1.11 0.00 0.00 175.55 174.65 3iad s HIS 320 N -1.61 3.21 0.45 2.71 3.76 -1.26 -4.83 115.29 117.72 3iad s HIS 320 Ca 0.42 0.53 0.21 0.00 -0.15 0.00 0.00 55.06 56.07 3iad s HIS 320 Cb -0.13 -2.95 1.26 0.00 1.11 0.00 0.00 32.58 31.87 3iad s HIS 320 CO 0.20 -0.46 2.05 0.00 -0.85 0.00 0.00 174.74 175.68 3iad h ALA 321 N 8.21 1.52 -0.07 -1.40 0.00 -1.93 -2.69 119.26 122.90 3iad h ALA 321 Ca -0.27 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3iad h ALA 321 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3iad h ALA 321 CO 0.79 0.17 0.00 -0.40 0.00 0.00 0.00 179.25 179.81 3iad n ASP 322 N -4.02 0.89 -4.61 0.00 5.75 -1.26 -4.81 116.55 108.49 3iad n ASP 322 Ca -0.02 -1.49 -0.35 0.00 -0.01 0.00 0.00 54.79 52.91 3iad n ASP 322 Cb 0.22 -0.04 -0.10 0.00 -1.03 0.00 0.00 41.12 40.17 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 -1.92 4.81 0.12 2.12 1.01 -1.02 -5.01 120.40 120.51 3iad s VAL 323 Ca 0.34 -0.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.16 3iad s VAL 323 Cb 0.17 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 3iad s VAL 323 CO 0.27 0.43 1.50 0.00 0.00 0.00 0.00 175.10 177.30 3iad h ALA 324 N 7.02 0.52 0.00 5.51 0.00 -1.87 -3.41 119.26 127.03 3iad h ALA 324 Ca -0.37 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3iad h ALA 324 Cb 1.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3iad h ALA 324 CO 0.68 0.43 -0.32 0.98 0.00 0.00 0.00 179.25 181.02 3iad n TYR 325 N -4.31 0.00 -1.15 0.00 9.36 -1.26 -4.78 117.16 115.02 3iad n TYR 325 Ca -0.02 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.86 3iad n TYR 325 Cb 0.40 -0.16 -0.02 0.00 -0.63 0.00 0.00 39.34 38.92 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 -3.14 2.15 -4.39 2.98 8.25 -1.26 -4.25 115.22 115.55 3iad n HIS 326 Ca -0.04 -2.49 -0.18 0.00 -0.26 0.00 0.00 57.72 54.75 3iad n HIS 326 Cb 0.17 -2.10 -0.04 0.00 1.12 0.00 0.00 29.99 29.13 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 4.78 2.21 -0.02 0.41 0.23 -1.26 -4.54 115.26 117.07 3iad n ASN 327 Ca 0.58 -2.31 0.22 0.00 -0.53 0.00 0.00 54.58 52.54 3iad n ASN 327 Cb 0.25 0.36 0.71 0.00 -2.08 0.00 0.00 39.78 39.01 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 0.81 0.00 -0.37 0.53 -1.07 -1.87 -1.26 115.58 112.36 3iad h ASN 328 Ca -0.23 0.00 -0.16 0.00 0.07 0.00 0.00 56.30 55.98 3iad h ASN 328 Cb 0.74 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.99 3iad h ASN 328 CO 0.37 0.00 -0.40 0.40 0.07 0.00 0.00 177.43 177.87 3iad h ILE 329 N 0.00 1.27 -0.51 6.14 2.04 -1.96 -1.27 117.51 123.22 3iad h ILE 329 Ca 0.27 -1.58 -0.12 0.00 1.00 0.00 0.00 64.86 64.43 3iad h ILE 329 Cb 1.13 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 3iad h ILE 329 CO -0.00 0.53 -0.16 -0.74 0.00 0.00 0.00 178.15 177.77 3iad h HIS 330 N 0.73 1.13 -0.08 1.37 2.76 -1.44 -0.46 115.15 119.16 3iad h HIS 330 Ca 0.05 -0.25 0.02 0.00 -2.20 0.00 0.00 60.37 57.99 3iad h HIS 330 Cb 1.00 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 3iad h HIS 330 CO 0.07 1.07 -0.02 0.00 -1.30 0.00 0.00 177.93 177.74 3iad h ALA 331 N 0.93 0.05 -0.18 5.26 0.00 -1.26 -0.85 119.26 123.22 3iad h ALA 331 Ca 0.13 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3iad h ALA 331 Cb 0.73 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3iad h ALA 331 CO 0.06 -0.49 -0.02 0.00 0.00 0.00 0.00 179.25 178.80 3iad h ALA 332 N 1.08 0.14 -0.13 0.00 0.00 -1.14 -0.76 119.26 118.44 3iad h ALA 332 Ca 0.04 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3iad h ALA 332 Cb 0.06 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3iad h ALA 332 CO -0.08 -0.46 -0.16 0.22 0.00 0.00 0.00 179.25 178.77 3iad h ASP 333 N 0.03 -0.49 -0.61 0.00 3.58 -0.85 0.18 116.42 118.26 3iad h ASP 333 Ca 0.08 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 3iad h ASP 333 Cb 0.12 0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 3iad h ASP 333 CO -0.16 -0.20 0.34 0.58 -2.88 0.00 0.00 179.24 176.92 3iad h VAL 334 N -0.19 1.19 0.48 2.25 2.07 -0.99 0.20 116.25 121.26 3iad h VAL 334 Ca 0.10 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 3iad h VAL 334 Cb 0.33 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3iad h VAL 334 CO -0.25 0.21 -0.23 0.58 0.02 0.00 0.00 177.57 177.90 3iad h VAL 335 N 0.88 0.52 -0.24 2.57 2.07 -0.13 -1.12 116.25 120.80 3iad h VAL 335 Ca 0.22 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.61 3iad h VAL 335 Cb 0.02 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3iad h VAL 335 CO -0.04 0.02 0.01 -0.61 0.02 0.00 0.00 177.57 176.98 3iad h GLN 336 N -0.71 0.34 -0.28 1.57 -0.00 -0.37 -1.13 115.11 114.54 3iad h GLN 336 Ca -0.07 -0.05 -0.19 0.00 -0.00 0.00 0.00 58.65 58.34 3iad h GLN 336 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 27.95 3iad h GLN 336 CO 0.11 0.36 -0.56 0.77 0.00 0.00 0.00 178.83 179.51 3iad h SER 337 N 0.34 0.96 0.13 -0.69 0.02 -0.91 -2.10 113.55 111.31 3iad h SER 337 Ca 0.08 -0.52 -0.08 0.00 -0.84 0.00 0.00 61.79 60.43 3iad h SER 337 Cb 0.21 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3iad h SER 337 CO 0.00 1.32 -0.27 0.74 -1.14 0.00 0.00 176.83 177.48 3iad h THR 338 N 0.66 1.25 -0.41 -2.27 2.02 -0.85 -2.01 112.91 111.29 3iad h THR 338 Ca 0.01 -1.16 -0.05 0.00 0.77 0.00 0.00 66.41 65.98 3iad h THR 338 Cb 1.17 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 3iad h THR 338 CO 0.12 0.35 0.05 -0.74 0.37 0.00 0.00 175.52 175.67 3iad h HIS 339 N 0.21 0.75 -0.37 3.16 -0.00 -1.04 -1.92 115.15 115.94 3iad h HIS 339 Ca 0.03 -0.11 -0.08 0.00 -0.00 0.00 0.00 60.37 60.21 3iad h HIS 339 Cb 0.60 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.79 3iad h HIS 339 CO 0.01 0.73 -0.06 0.28 -0.00 0.00 0.00 177.93 178.89 3iad h VAL 340 N 0.54 1.27 -0.70 5.26 2.07 -1.25 -3.11 116.25 120.34 3iad h VAL 340 Ca 0.12 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 3iad h VAL 340 Cb 0.40 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3iad h VAL 340 CO 0.01 0.37 0.34 -0.07 0.02 0.00 0.00 177.57 178.25 3iad h LEU 341 N 0.50 0.89 -1.81 2.57 3.38 -1.31 -1.64 115.31 117.90 3iad h LEU 341 Ca 0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3iad h LEU 341 Cb 0.57 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3iad h LEU 341 CO 0.03 0.75 -0.00 -0.07 0.09 0.00 0.00 178.44 179.24 3iad h LEU 342 N 0.99 0.10 0.00 1.67 3.38 -1.32 -2.82 115.31 117.32 3iad h LEU 342 Ca 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3iad h LEU 342 Cb 0.09 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3iad h LEU 342 CO -0.03 0.13 0.00 -1.20 0.09 0.00 0.00 178.44 177.42 3iad n SER 343 N -4.46 0.00 -4.64 -0.43 7.64 -0.62 -4.77 113.62 106.34 3iad n SER 343 Ca -0.02 0.04 -0.45 0.00 1.01 0.00 0.00 58.87 59.45 3iad n SER 343 Cb 0.13 -0.35 -0.02 0.00 -1.01 0.00 0.00 64.21 62.96 3iad n SER 343 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3iad n THR 344 N -1.35 1.26 -0.25 0.44 5.66 -1.07 -4.87 114.28 114.10 3iad n THR 344 Ca 0.12 -0.31 0.14 0.00 -3.05 0.00 0.00 64.05 60.94 3iad n THR 344 Cb 0.27 -1.27 0.42 0.00 -1.55 0.00 0.00 70.33 68.20 3iad n THR 344 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 3iad h PRO 345 N 3.42 0.58 0.00 1.09 0.11 -1.92 -2.07 132.00 133.21 3iad h PRO 345 Ca -0.44 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3iad h PRO 345 Cb 1.30 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3iad h PRO 345 CO 0.70 0.38 -0.10 0.00 -0.21 0.00 0.00 178.00 178.78 3iad h ALA 346 N 1.61 1.27 -0.40 -0.75 0.00 -1.86 -2.55 119.26 116.58 3iad h ALA 346 Ca 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3iad h ALA 346 Cb 0.83 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3iad h ALA 346 CO -0.19 0.12 0.01 1.28 0.00 0.00 0.00 179.25 180.47 3iad n LEU 347 N -3.59 4.68 -4.73 0.00 4.77 -0.78 -2.21 117.00 115.13 3iad n LEU 347 Ca -0.02 -3.02 -0.42 0.00 -0.03 0.00 0.00 56.01 52.53 3iad n LEU 347 Cb 0.22 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 3iad n LEU 347 CO 0.29 0.68 0.94 -0.70 -1.33 0.00 0.00 177.39 177.26 3iad s GLU 348 N -2.83 4.43 -0.54 3.23 2.12 -0.96 -2.41 118.70 121.73 3iad s GLU 348 Ca 0.48 1.93 0.00 0.00 0.36 0.00 0.00 54.97 57.74 3iad s GLU 348 Cb 0.38 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.52 3iad s GLU 348 CO 0.11 -0.22 0.00 0.00 -0.54 0.00 0.00 175.26 174.62 3iad n ALA 349 N 3.03 -0.08 -0.06 6.30 0.00 -1.26 -4.89 120.51 123.56 3iad n ALA 349 Ca 0.07 0.08 -0.18 0.00 0.00 0.00 0.00 53.44 53.41 3iad n ALA 349 Cb 0.44 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.39 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 1.39 -3.10 0.00 2.07 -1.84 -3.47 116.25 111.30 3iad h VAL 350 Ca -0.10 -2.32 -0.59 0.00 0.82 0.00 0.00 66.70 64.50 3iad h VAL 350 Cb 0.89 2.92 -0.04 0.00 -1.52 0.00 0.00 31.29 33.54 3iad h VAL 350 CO 0.15 0.55 -0.30 -0.36 0.02 0.00 0.00 177.57 177.63 3iad s PHE 351 N -2.32 3.53 0.90 1.57 0.08 -1.26 -5.04 117.98 115.44 3iad s PHE 351 Ca -0.22 0.65 -0.14 0.00 0.12 0.00 0.00 56.93 57.35 3iad s PHE 351 Cb 0.01 -2.07 0.15 0.00 -0.57 0.00 0.00 43.02 40.54 3iad s PHE 351 CO 0.69 0.50 1.24 0.95 -0.10 0.00 0.00 175.22 178.49 3iad s THR 352 N -1.50 1.98 0.20 0.64 -4.23 -1.26 -4.88 115.64 106.59 3iad s THR 352 Ca 0.36 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.80 3iad s THR 352 Cb -0.13 -2.95 0.03 0.00 1.34 0.00 0.00 72.50 70.79 3iad s THR 352 CO 0.21 0.00 1.61 0.44 -0.54 0.00 0.00 174.62 176.33 3iad h ASP 353 N -1.43 0.87 -0.63 3.99 3.32 -1.99 -1.96 116.42 118.60 3iad h ASP 353 Ca -0.46 -0.31 -0.06 0.00 0.02 0.00 0.00 57.03 56.22 3iad h ASP 353 Cb 1.29 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 3iad h ASP 353 CO 0.52 1.05 0.17 0.25 -1.72 0.00 0.00 179.24 179.50 3iad h LEU 354 N 0.75 0.94 -0.45 1.55 5.85 -1.99 -0.95 115.31 121.02 3iad h LEU 354 Ca 0.10 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 3iad h LEU 354 Cb 0.74 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3iad h LEU 354 CO 0.06 0.92 0.00 -0.33 -0.34 0.00 0.00 178.44 178.75 3iad h GLU 355 N 0.92 0.79 -0.08 1.25 5.08 -1.91 -0.57 114.58 120.05 3iad h GLU 355 Ca 0.20 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3iad h GLU 355 Cb 0.34 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3iad h GLU 355 CO -0.00 0.85 0.01 0.82 -1.00 0.00 0.00 179.01 179.69 3iad h ILE 356 N 0.64 0.96 -0.77 3.13 2.04 -1.25 -1.00 117.51 121.26 3iad h ILE 356 Ca 0.13 -0.02 0.09 0.00 1.00 0.00 0.00 64.86 66.06 3iad h ILE 356 Cb 0.49 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 37.41 3iad h ILE 356 CO 0.02 0.01 0.42 0.25 0.00 0.00 0.00 178.15 178.85 3iad h LEU 357 N 0.05 0.58 0.27 1.44 5.85 -1.07 -1.51 115.31 120.92 3iad h LEU 357 Ca 0.04 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3iad h LEU 357 Cb 0.03 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 3iad h LEU 357 CO -0.05 0.33 -0.15 0.00 -0.34 0.00 0.00 178.44 178.23 3iad h ALA 358 N 1.44 -0.38 -0.47 1.25 0.00 -0.70 -0.38 119.26 120.02 3iad h ALA 358 Ca 0.37 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.25 3iad h ALA 358 Cb 0.36 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3iad h ALA 358 CO -0.25 -0.72 0.22 0.00 0.00 0.00 0.00 179.25 178.50 3iad h ALA 359 N 0.34 0.59 -0.21 0.00 0.00 -0.76 0.42 119.26 119.64 3iad h ALA 359 Ca -0.03 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3iad h ALA 359 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3iad h ALA 359 CO 0.04 -0.13 -0.56 0.82 0.00 0.00 0.00 179.25 179.42 3iad h ILE 360 N 0.45 1.30 -0.55 0.00 2.04 -1.24 -1.52 117.51 117.99 3iad h ILE 360 Ca 0.21 -1.77 -0.10 0.00 1.00 0.00 0.00 64.86 64.20 3iad h ILE 360 Cb 0.14 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3iad h ILE 360 CO -0.16 0.56 -0.03 0.15 0.00 0.00 0.00 178.15 178.67 3iad h PHE 361 N 0.49 1.09 -0.84 1.37 3.57 -0.85 -1.90 116.94 119.86 3iad h PHE 361 Ca -0.01 -0.20 0.03 0.00 3.53 0.00 0.00 57.97 61.32 3iad h PHE 361 Cb 1.18 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.59 3iad h PHE 361 CO 0.09 0.99 0.54 0.00 -2.23 0.00 0.00 178.31 177.70 3iad h ALA 362 N 0.95 1.10 -0.03 2.41 0.00 -0.10 -2.29 119.26 121.31 3iad h ALA 362 Ca 0.15 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3iad h ALA 362 Cb 0.58 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3iad h ALA 362 CO 0.03 0.37 -0.34 0.77 0.00 0.00 0.00 179.25 180.09 3iad h SER 363 N 1.05 0.05 0.21 0.00 0.02 -1.01 -1.71 113.55 112.14 3iad h SER 363 Ca 0.33 -0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 61.07 3iad h SER 363 Cb 0.01 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 3iad h SER 363 CO -0.12 0.39 -0.78 0.00 -1.14 0.00 0.00 176.83 175.18 3iad h ALA 364 N 1.62 0.50 -0.01 3.77 0.00 -0.80 -3.31 119.26 121.03 3iad h ALA 364 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3iad h ALA 364 Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3iad h ALA 364 CO 0.05 0.76 -0.60 0.44 0.00 0.00 0.00 179.25 179.89 3iad n ILE 365 N -3.84 0.00 0.28 0.00 -5.35 -0.97 -4.67 119.36 104.82 3iad n ILE 365 Ca -0.05 -0.11 0.19 0.00 -0.27 0.00 0.00 62.75 62.51 3iad n ILE 365 Cb 0.74 0.83 1.00 0.00 -1.74 0.00 0.00 39.64 40.47 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 1.00 0.00 0.00 4.28 2.07 -1.40 -1.65 115.15 119.46 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 0.58 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.56 3iad h HIS 366 CO 0.00 0.00 -0.20 -0.25 -3.07 0.00 0.00 177.93 174.41 3iad n ASP 367 N -2.81 1.28 -4.77 3.10 8.00 -1.26 -4.88 116.55 115.22 3iad n ASP 367 Ca -0.02 -2.51 -0.40 0.00 0.71 0.00 0.00 54.79 52.57 3iad n ASP 367 Cb 0.07 -0.30 -0.00 0.00 -0.02 0.00 0.00 41.12 40.86 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 -1.50 2.58 -1.49 2.53 0.11 -0.62 -2.25 120.40 119.75 3iad s VAL 368 Ca 0.16 0.52 -0.07 0.00 -2.93 0.00 0.00 61.98 59.67 3iad s VAL 368 Cb 0.14 -3.31 0.01 0.00 -1.53 0.00 0.00 36.38 31.70 3iad s VAL 368 CO 0.02 0.08 0.78 -0.67 -3.33 0.00 0.00 175.10 171.97 3iad n ASP 369 N 0.13 -6.01 -4.69 3.54 2.03 0.26 -4.34 116.55 107.47 3iad n ASP 369 Ca 0.04 -0.38 -0.42 0.00 0.52 0.00 0.00 54.79 54.54 3iad n ASP 369 Cb 0.43 -4.82 -0.03 0.00 -0.72 0.00 0.00 41.12 35.99 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 -3.21 3.38 -2.27 -0.67 2.46 -0.95 -4.95 115.29 109.08 3iad s HIS 370 Ca 0.40 1.40 0.21 0.00 0.47 0.00 0.00 55.06 57.55 3iad s HIS 370 Cb -0.18 -3.31 0.74 0.00 -0.13 0.00 0.00 32.58 29.70 3iad s HIS 370 CO 0.50 -0.81 1.54 -0.35 -2.47 0.00 0.00 174.74 173.15 3iad n PRO 371 N 4.80 1.74 -1.35 2.88 -0.04 -1.26 -4.56 135.00 137.20 3iad n PRO 371 Ca 0.09 -1.11 -0.04 0.00 -0.04 0.00 0.00 63.50 62.41 3iad n PRO 371 Cb 0.48 -1.39 -0.01 0.00 -0.04 0.00 0.00 33.50 32.53 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 1.13 0.56 3.44 0.55 0.00 -1.26 -5.03 105.19 104.59 3iad n GLY 372 Ca 0.16 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.16 1.01 0.42 1.61 -7.23 -1.26 -4.62 120.40 108.17 3iad s VAL 373 Ca 0.00 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.22 3iad s VAL 373 Cb 0.00 -2.71 0.01 0.00 0.56 0.00 0.00 36.38 34.24 3iad s VAL 373 CO 0.00 0.00 0.58 -0.94 -0.31 0.00 0.00 175.10 174.43 3iad s SER 374 N -3.48 5.73 0.18 4.85 1.04 -1.26 -4.99 113.70 115.76 3iad s SER 374 Ca 0.35 -0.19 -0.13 0.00 0.48 0.00 0.00 55.95 56.45 3iad s SER 374 Cb 0.08 -1.00 0.17 0.00 0.10 0.00 0.00 66.02 65.37 3iad s SER 374 CO 0.15 -0.70 1.72 0.78 0.98 0.00 0.00 173.24 176.16 3iad h ASN 375 N 0.60 -0.01 -0.02 7.02 2.35 -2.00 -2.02 115.58 121.50 3iad h ASN 375 Ca -0.43 0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.39 3iad h ASN 375 Cb 1.27 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.76 3iad h ASN 375 CO 0.50 0.02 -0.03 -0.61 -1.65 0.00 0.00 177.43 175.67 3iad h GLN 376 N 0.22 0.15 -0.50 0.81 5.75 -1.97 0.16 115.11 119.73 3iad h GLN 376 Ca 0.24 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.60 3iad h GLN 376 Cb 0.32 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 3iad h GLN 376 CO -0.32 0.20 -0.14 0.35 -2.65 0.00 0.00 178.83 176.27 3iad h PHE 377 N 0.15 1.10 -0.09 3.99 3.04 -1.82 -1.41 116.94 121.90 3iad h PHE 377 Ca 0.04 -0.24 -0.14 0.00 3.98 0.00 0.00 57.97 61.60 3iad h PHE 377 Cb 0.16 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.39 3iad h PHE 377 CO 0.00 1.05 -0.57 -0.07 -2.02 0.00 0.00 178.31 176.70 3iad h LEU 378 N 0.83 0.31 -0.02 0.59 3.38 -0.44 -2.40 115.31 117.57 3iad h LEU 378 Ca 0.12 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3iad h LEU 378 Cb 0.71 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3iad h LEU 378 CO 0.05 0.82 -0.03 0.40 0.09 0.00 0.00 178.44 179.78 3iad h ILE 379 N 0.21 1.40 -0.45 1.22 2.04 -0.72 -2.43 117.51 118.78 3iad h ILE 379 Ca -0.00 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.63 3iad h ILE 379 Cb 1.07 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 39.30 3iad h ILE 379 CO 0.09 0.33 0.26 0.78 0.00 0.00 0.00 178.15 179.61 3iad h ASN 380 N -0.43 0.53 -0.12 1.72 2.35 -1.24 -1.74 115.58 116.65 3iad h ASN 380 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3iad h ASN 380 Cb 0.55 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.78 3iad h ASN 380 CO 0.01 0.41 0.00 0.35 -1.65 0.00 0.00 177.43 176.55 3iad n THR 381 N -4.44 0.15 -3.69 2.81 -2.24 -0.91 -4.95 114.28 101.02 3iad n THR 381 Ca 0.04 -0.25 -0.23 0.00 -2.27 0.00 0.00 64.05 61.33 3iad n THR 381 Cb 0.08 0.19 0.05 0.00 -2.10 0.00 0.00 70.33 68.55 3iad n THR 381 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3iad n ASN 382 N 0.02 -3.07 -4.77 3.42 3.02 -0.66 -4.97 115.26 108.25 3iad n ASN 382 Ca 0.16 -0.73 -0.32 0.00 -0.03 0.00 0.00 54.58 53.66 3iad n ASN 382 Cb 0.26 -4.37 0.08 0.00 -0.61 0.00 0.00 39.78 35.13 3iad n ASN 382 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3iad s SER 383 N -3.94 4.73 0.23 6.41 1.04 -0.92 -4.86 113.70 116.39 3iad s SER 383 Ca 0.26 1.87 -0.07 0.00 0.48 0.00 0.00 55.95 58.49 3iad s SER 383 Cb -0.12 -2.53 0.26 0.00 0.10 0.00 0.00 66.02 63.73 3iad s SER 383 CO 0.79 -1.89 1.87 -0.08 0.98 0.00 0.00 173.24 174.91 3iad h GLU 384 N -0.75 0.98 -0.35 4.02 4.81 -1.93 -1.00 114.58 120.37 3iad h GLU 384 Ca -0.45 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 58.77 3iad h GLU 384 Cb 1.23 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 3iad h GLU 384 CO 0.52 0.65 0.09 -0.07 -0.73 0.00 0.00 179.01 179.48 3iad h LEU 385 N 1.01 0.07 -1.10 1.64 4.07 -1.93 0.16 115.31 119.22 3iad h LEU 385 Ca 0.34 0.05 -0.05 0.00 0.08 0.00 0.00 57.88 58.30 3iad h LEU 385 Cb 0.05 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 3iad h LEU 385 CO -0.13 0.07 0.09 0.00 -1.08 0.00 0.00 178.44 177.40 3iad h ALA 386 N 1.24 1.27 -0.45 1.53 0.00 -1.72 -2.48 119.26 118.65 3iad h ALA 386 Ca 0.16 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3iad h ALA 386 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3iad h ALA 386 CO -0.19 0.50 -0.08 1.25 0.00 0.00 0.00 179.25 180.74 3iad h LEU 387 N 0.70 0.85 0.00 0.00 7.12 -0.28 -1.38 115.31 122.32 3iad h LEU 387 Ca 0.16 -0.35 -0.04 0.00 0.13 0.00 0.00 57.88 57.78 3iad h LEU 387 Cb 0.30 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.19 3iad h LEU 387 CO 0.00 1.00 -0.29 -0.03 -0.13 0.00 0.00 178.44 178.99 3iad h MET 388 N 0.69 0.00 -0.29 1.25 4.05 -0.56 -3.25 114.93 116.83 3iad h MET 388 Ca 0.12 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 3iad h MET 388 Cb 0.61 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 3iad h MET 388 CO 0.04 0.15 0.00 0.66 0.23 0.00 0.00 176.91 177.99 3iad n TYR 389 N -3.09 0.72 -3.94 1.39 4.01 -0.95 -5.00 117.16 110.31 3iad n TYR 389 Ca 0.03 -0.72 -0.26 0.00 -0.16 0.00 0.00 57.90 56.78 3iad n TYR 389 Cb 0.60 -0.19 -0.01 0.00 -0.31 0.00 0.00 39.34 39.43 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 -0.10 -1.18 0.00 7.72 3.02 -0.73 -1.49 115.26 122.50 3iad n ASN 390 Ca 0.17 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 3iad n ASN 390 Cb 0.69 -3.27 0.00 0.00 -0.61 0.00 0.00 39.78 36.59 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 -2.95 -4.66 -4.55 6.41 8.00 -0.60 -4.94 116.55 113.27 3iad n ASP 391 Ca -0.24 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 54.88 3iad n ASP 391 Cb 0.65 -2.86 -0.11 0.00 -0.02 0.00 0.00 41.12 38.77 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 -1.59 5.91 -1.25 -2.24 0.01 -0.55 -4.53 113.70 109.46 3iad s SER 392 Ca 0.00 -0.18 -0.27 0.00 1.31 0.00 0.00 55.95 56.81 3iad s SER 392 Cb 0.00 -2.10 0.04 0.00 0.21 0.00 0.00 66.02 64.17 3iad s SER 392 CO 0.00 -0.11 0.51 -1.20 0.41 0.00 0.00 173.24 172.85 3iad n SER 393 N 5.05 -2.85 0.20 2.44 7.64 -1.26 -4.80 113.62 120.05 3iad n SER 393 Ca -0.14 -1.27 -0.15 0.00 1.01 0.00 0.00 58.87 58.33 3iad n SER 393 Cb 0.51 -1.53 -0.08 0.00 -1.01 0.00 0.00 64.21 62.10 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 -2.32 0.68 -0.61 0.44 2.07 -1.90 -0.98 116.25 113.63 3iad h VAL 394 Ca -0.68 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 3iad h VAL 394 Cb 1.36 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3iad h VAL 394 CO 0.54 0.03 0.25 -0.07 0.02 0.00 0.00 177.57 178.35 3iad h LEU 395 N -0.54 0.83 -0.39 2.57 3.38 -1.95 -2.69 115.31 116.52 3iad h LEU 395 Ca -0.05 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 3iad h LEU 395 Cb 0.41 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3iad h LEU 395 CO 0.08 0.77 0.07 -0.33 0.09 0.00 0.00 178.44 179.12 3iad h GLU 396 N 0.85 0.65 -0.97 1.13 3.07 -1.88 0.48 114.58 117.90 3iad h GLU 396 Ca 0.20 -0.17 0.12 0.00 -0.50 0.00 0.00 59.36 59.02 3iad h GLU 396 Cb 0.19 -0.08 -0.08 0.00 -0.84 0.00 0.00 28.75 27.94 3iad h GLU 396 CO -0.02 0.69 0.60 -0.91 -1.40 0.00 0.00 179.01 177.97 3iad h ASN 397 N 0.50 0.87 -0.33 1.42 2.35 -1.18 -2.53 115.58 116.68 3iad h ASN 397 Ca 0.12 0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.83 3iad h ASN 397 Cb 0.35 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3iad h ASN 397 CO 0.01 0.46 -0.17 -0.74 -1.65 0.00 0.00 177.43 175.33 3iad h HIS 398 N 0.94 0.81 -0.61 1.19 2.76 -0.98 -1.99 115.15 117.27 3iad h HIS 398 Ca 0.49 -0.20 0.05 0.00 -2.20 0.00 0.00 60.37 58.51 3iad h HIS 398 Cb 0.50 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 29.22 3iad h HIS 398 CO -0.02 0.91 0.33 0.45 -1.30 0.00 0.00 177.93 178.31 3iad h HIS 399 N 0.47 0.60 0.02 5.26 3.86 -0.66 -0.37 115.15 124.32 3iad h HIS 399 Ca 0.07 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3iad h HIS 399 Cb 0.71 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.00 3iad h HIS 399 CO 0.06 0.29 -0.01 -0.07 0.86 0.00 0.00 177.93 179.06 3iad h LEU 400 N 0.62 -0.02 -0.58 2.43 3.38 -1.42 0.16 115.31 119.87 3iad h LEU 400 Ca 0.27 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.29 3iad h LEU 400 Cb 0.17 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3iad h LEU 400 CO -0.18 -0.00 0.30 0.00 0.09 0.00 0.00 178.44 178.65 3iad h ALA 401 N 0.95 0.76 -0.15 1.53 0.00 -0.82 -0.95 119.26 120.58 3iad h ALA 401 Ca -0.00 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3iad h ALA 401 Cb 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3iad h ALA 401 CO 0.00 -0.05 -0.36 0.28 0.00 0.00 0.00 179.25 179.12 3iad h VAL 402 N 0.56 1.35 -0.81 0.00 2.07 -1.03 -1.33 116.25 117.06 3iad h VAL 402 Ca 0.27 -1.63 0.12 0.00 0.82 0.00 0.00 66.70 66.27 3iad h VAL 402 Cb 0.19 2.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.88 3iad h VAL 402 CO -0.19 0.49 0.43 1.23 0.02 0.00 0.00 177.57 179.55 3iad h GLY 403 N 0.14 1.27 1.01 2.17 0.00 -0.33 -2.07 103.07 105.26 3iad h GLY 403 Ca -0.00 -0.27 -0.26 0.00 0.00 0.00 0.00 47.33 46.80 3iad h GLY 403 CO 0.08 0.05 -1.12 0.74 0.00 0.00 0.00 176.54 176.29 3iad h PHE 404 N 0.68 0.81 -0.14 5.60 0.04 -1.22 -3.35 116.94 119.37 3iad h PHE 404 Ca 0.41 -0.56 -0.04 0.00 2.80 0.00 0.00 57.97 60.59 3iad h PHE 404 Cb 0.48 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 3iad h PHE 404 CO -0.09 1.42 -0.08 0.87 -0.60 0.00 0.00 178.31 179.84 3iad h LYS 405 N -0.02 0.20 0.00 1.51 1.57 -1.00 -1.41 116.57 117.42 3iad h LYS 405 Ca -0.19 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3iad h LYS 405 Cb 1.85 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.13 3iad h LYS 405 CO 0.21 0.29 0.00 -0.07 -0.57 0.00 0.00 179.45 179.32 3iad h LEU 406 N 0.20 0.00 -1.47 2.94 3.38 -1.51 -2.04 115.31 116.81 3iad h LEU 406 Ca 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3iad h LEU 406 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3iad h LEU 406 CO 0.01 0.00 -0.27 -0.07 0.09 0.00 0.00 178.44 178.20 3iad h LEU 407 N 0.00 0.00 -1.70 1.67 3.38 -1.43 -2.90 115.31 114.33 3iad h LEU 407 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3iad h LEU 407 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3iad h LEU 407 CO 0.00 0.27 -0.17 1.56 0.09 0.00 0.00 178.44 180.19 3iad h GLN 408 N 0.00 0.00 -7.24 1.13 7.50 -1.51 -2.82 115.11 112.16 3iad h GLN 408 Ca -0.00 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.63 3iad h GLN 408 Cb 0.50 0.00 0.15 0.00 0.05 0.00 0.00 27.48 28.17 3iad h GLN 408 CO 0.04 0.17 0.33 -1.21 -1.50 0.00 0.00 178.83 176.66 3iad s GLU 409 N -4.15 2.03 -0.27 1.46 2.02 -1.10 -4.80 118.70 113.89 3iad s GLU 409 Ca -0.02 1.49 -0.39 0.00 0.02 0.00 0.00 54.97 56.06 3iad s GLU 409 Cb 0.13 -1.85 -0.15 0.00 0.10 0.00 0.00 34.13 32.36 3iad s GLU 409 CO 0.62 -1.86 1.81 -1.91 0.02 0.00 0.00 175.26 173.94 3iad n GLU 410 N -3.23 1.24 -3.61 1.61 4.07 -1.26 -1.81 120.64 117.65 3iad n GLU 410 Ca 0.11 0.45 -0.22 0.00 -0.06 0.00 0.00 57.16 57.44 3iad n GLU 410 Cb 0.52 -2.19 0.07 0.00 -0.06 0.00 0.00 31.44 29.78 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 6.00 -4.07 0.00 4.31 5.15 -1.26 -4.91 115.26 120.48 3iad n ASN 411 Ca 0.28 -0.64 0.00 0.00 -0.60 0.00 0.00 54.58 53.62 3iad n ASN 411 Cb 0.15 -4.76 0.00 0.00 -0.53 0.00 0.00 39.78 34.64 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 -0.03 6.62 0.29 0.00 2.15 -1.06 -4.56 116.67 120.08 3iad s ASP 413 Ca 0.00 -1.81 0.24 0.00 0.43 0.00 0.00 52.55 51.41 3iad s ASP 413 Cb 0.00 -2.56 1.04 0.00 -0.30 0.00 0.00 42.92 41.10 3iad s ASP 413 CO 0.00 -1.37 1.74 0.16 -0.17 0.00 0.00 175.17 175.52 3iad h ILE 414 N 6.34 0.00 -0.56 4.11 3.07 -1.87 -2.67 117.51 125.93 3iad h ILE 414 Ca 0.28 -0.23 -0.09 0.00 1.55 0.00 0.00 64.86 66.36 3iad h ILE 414 Cb 0.96 0.97 -0.05 0.00 -0.27 0.00 0.00 36.82 38.43 3iad h ILE 414 CO 1.42 0.00 0.10 0.49 -1.05 0.00 0.00 178.15 179.11 3iad n PHE 415 N -2.32 1.93 0.23 0.16 3.72 -1.26 -4.69 117.46 115.22 3iad n PHE 415 Ca 0.02 -0.99 0.06 0.00 -0.05 0.00 0.00 57.45 56.48 3iad n PHE 415 Cb 0.22 -0.54 0.52 0.00 -0.94 0.00 0.00 39.48 38.74 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 2.86 0.00 -0.02 -1.08 3.07 -1.82 -2.57 115.11 115.55 3iad h GLN 416 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.85 3iad h GLN 416 Cb 1.99 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.55 3iad h GLN 416 CO 0.53 0.17 -0.23 0.09 0.09 0.00 0.00 178.83 179.48 3iad n ASN 417 N -4.30 2.03 -4.77 0.06 3.02 -1.26 -4.90 115.26 105.13 3iad n ASN 417 Ca -0.02 -1.53 -0.35 0.00 -0.03 0.00 0.00 54.58 52.65 3iad n ASN 417 Cb 0.24 0.21 0.02 0.00 -0.61 0.00 0.00 39.78 39.63 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 -2.28 3.66 0.78 3.41 1.02 -0.97 -4.96 118.68 119.34 3iad s LEU 418 Ca 0.25 2.17 -0.12 0.00 0.02 0.00 0.00 54.13 56.45 3iad s LEU 418 Cb 0.19 -4.58 0.06 0.00 0.02 0.00 0.00 46.19 41.88 3iad s LEU 418 CO 0.45 -1.36 1.11 0.42 0.02 0.00 0.00 176.35 176.99 3iad s THR 419 N -1.87 3.03 0.27 5.49 -4.23 -1.26 -4.83 115.64 112.24 3iad s THR 419 Ca 0.72 0.33 -0.01 0.00 -1.18 0.00 0.00 61.69 61.55 3iad s THR 419 Cb -0.24 -3.18 0.27 0.00 1.34 0.00 0.00 72.50 70.69 3iad s THR 419 CO 0.31 -0.44 1.85 0.50 -0.54 0.00 0.00 174.62 176.30 3iad h LYS 420 N -0.98 1.01 -0.44 3.99 3.64 -1.98 -0.94 116.57 120.87 3iad h LYS 420 Ca -0.47 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 58.89 3iad h LYS 420 Cb 1.27 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.83 3iad h LYS 420 CO 0.61 0.67 0.22 0.87 -2.27 0.00 0.00 179.45 179.55 3iad h LYS 421 N 1.04 0.43 -0.12 1.90 1.57 -2.00 -2.40 116.57 116.99 3iad h LYS 421 Ca 0.45 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.19 3iad h LYS 421 Cb 0.33 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 3iad h LYS 421 CO -0.22 0.28 0.02 1.96 -0.57 0.00 0.00 179.45 180.92 3iad h GLN 422 N 0.44 0.20 -0.19 3.15 4.20 -1.80 -2.12 115.11 118.99 3iad h GLN 422 Ca 0.19 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.90 3iad h GLN 422 Cb 0.10 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.78 3iad h GLN 422 CO -0.13 0.39 -0.29 0.00 -0.67 0.00 0.00 178.83 178.12 3iad h ARG 423 N -0.02 -0.32 0.00 1.46 3.08 -0.99 0.46 114.38 118.05 3iad h ARG 423 Ca 0.04 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3iad h ARG 423 Cb 0.28 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3iad h ARG 423 CO 0.00 -0.21 -0.24 -0.56 -1.07 0.00 0.00 179.97 177.89 3iad h GLN 424 N -0.33 0.00 -0.30 0.04 3.07 -1.50 0.10 115.11 116.18 3iad h GLN 424 Ca 0.12 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.72 3iad h GLN 424 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.07 3iad h GLN 424 CO -0.38 0.00 -0.36 1.03 0.09 0.00 0.00 178.83 179.21 3iad h SER 425 N 0.00 0.84 -0.10 0.06 0.87 -0.89 -2.67 113.55 111.67 3iad h SER 425 Ca 0.00 -0.49 -0.01 0.00 -1.23 0.00 0.00 61.79 60.06 3iad h SER 425 Cb 0.86 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.58 3iad h SER 425 CO 0.00 1.16 0.01 0.25 -0.53 0.00 0.00 176.83 177.73 3iad h LEU 426 N 0.54 0.16 -0.60 2.23 5.85 0.09 -2.80 115.31 120.79 3iad h LEU 426 Ca 0.04 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.57 3iad h LEU 426 Cb 0.95 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 3iad h LEU 426 CO 0.09 0.38 0.29 -0.09 -0.34 0.00 0.00 178.44 178.76 3iad h ARG 427 N -0.08 0.51 -0.58 1.25 2.43 -1.04 -0.27 114.38 116.60 3iad h ARG 427 Ca 0.03 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3iad h ARG 427 Cb 0.29 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 3iad h ARG 427 CO 0.00 0.34 0.31 -0.22 -1.51 0.00 0.00 179.97 178.89 3iad h LYS 428 N 0.52 0.82 -0.45 0.20 3.64 -1.49 -1.20 116.57 118.61 3iad h LYS 428 Ca 0.28 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3iad h LYS 428 Cb 0.25 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3iad h LYS 428 CO -0.22 0.63 0.03 0.52 -2.27 0.00 0.00 179.45 178.14 3iad h MET 429 N 0.79 0.77 -0.55 1.90 2.86 -1.09 -2.03 114.93 117.57 3iad h MET 429 Ca 0.20 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 3iad h MET 429 Cb 0.06 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 3iad h MET 429 CO -0.03 0.81 0.00 0.28 1.06 0.00 0.00 176.91 179.04 3iad h VAL 430 N 0.62 1.26 -0.37 -2.22 2.07 -0.99 -1.22 116.25 115.40 3iad h VAL 430 Ca 0.13 -1.11 0.05 0.00 0.82 0.00 0.00 66.70 66.59 3iad h VAL 430 Cb 0.44 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 3iad h VAL 430 CO 0.02 0.40 0.10 0.40 0.02 0.00 0.00 177.57 178.51 3iad h ILE 431 N 0.85 0.85 -0.32 4.57 2.04 -1.15 -0.03 117.51 124.32 3iad h ILE 431 Ca 0.16 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.85 3iad h ILE 431 Cb 0.53 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3iad h ILE 431 CO 0.03 0.04 -0.14 0.44 0.00 0.00 0.00 178.15 178.52 3iad h ASP 432 N 0.24 0.55 -0.00 1.72 3.45 -1.08 -0.82 116.42 120.48 3iad h ASP 432 Ca 0.17 -0.15 -0.00 0.00 0.43 0.00 0.00 57.03 57.48 3iad h ASP 432 Cb 0.18 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.80 3iad h ASP 432 CO -0.20 0.72 -0.00 0.40 -1.57 0.00 0.00 179.24 178.58 3iad h ILE 433 N 0.51 1.53 -0.63 0.35 2.04 -0.99 -2.98 117.51 117.34 3iad h ILE 433 Ca 0.09 -1.55 -0.06 0.00 1.00 0.00 0.00 64.86 64.34 3iad h ILE 433 Cb 0.54 2.58 -0.03 0.00 -0.74 0.00 0.00 36.82 39.18 3iad h ILE 433 CO 0.03 0.40 0.15 0.58 0.00 0.00 0.00 178.15 179.32 3iad h VAL 434 N -0.65 1.25 -0.15 1.67 2.07 -0.94 -2.33 116.25 117.17 3iad h VAL 434 Ca -0.00 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 3iad h VAL 434 Cb 0.66 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3iad h VAL 434 CO 0.00 0.34 -0.18 -0.07 0.02 0.00 0.00 177.57 177.68 3iad h LEU 435 N 0.95 0.24 0.00 2.57 3.38 -1.26 -2.28 115.31 118.90 3iad h LEU 435 Ca 0.20 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3iad h LEU 435 Cb 0.34 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3iad h LEU 435 CO 0.00 0.44 0.00 0.00 0.09 0.00 0.00 178.44 178.97 3iad n ALA 436 N -2.49 1.90 1.22 1.53 0.00 -0.88 -2.67 120.51 119.13 3iad n ALA 436 Ca -0.01 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.49 3iad n ALA 436 Cb 0.31 -1.28 0.50 0.00 0.00 0.00 0.00 19.45 18.99 3iad n ALA 436 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3iad n THR 437 N -1.33 0.00 -1.62 0.00 -2.24 -0.86 -4.80 114.28 103.44 3iad n THR 437 Ca 0.07 -0.04 -0.46 0.00 -2.27 0.00 0.00 64.05 61.35 3iad n THR 437 Cb 0.15 -0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.31 3iad n THR 437 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3iad n ASP 438 N -1.13 3.33 0.13 3.42 -0.08 -1.09 -4.85 116.55 116.28 3iad n ASP 438 Ca 0.11 0.66 0.11 0.00 -1.51 0.00 0.00 54.79 54.16 3iad n ASP 438 Cb 0.31 -1.43 0.61 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 11.56 0.10 0.00 -0.67 2.86 -1.87 -1.13 114.93 125.78 3iad h MET 439 Ca -0.43 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 3iad h MET 439 Cb 1.27 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.90 3iad h MET 439 CO 0.96 0.07 0.00 -1.13 1.06 0.00 0.00 176.91 177.87 3iad n SER 440 N -4.49 0.00 -0.53 1.22 3.41 -0.93 -1.82 113.62 110.48 3iad n SER 440 Ca 0.02 -1.00 0.05 0.00 -0.26 0.00 0.00 58.87 57.68 3iad n SER 440 Cb 0.25 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.64 2.83 -0.01 4.33 5.02 -0.43 -3.27 118.16 125.99 3iad n LYS 441 Ca 0.04 -1.94 -0.09 0.00 -2.02 0.00 0.00 58.31 54.30 3iad n LYS 441 Cb 0.02 -1.22 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 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 1.70 -0.48 -0.57 2.13 2.76 -1.48 -1.21 115.15 118.00 3iad h HIS 442 Ca 0.00 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 3iad h HIS 442 Cb 0.69 0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.86 3iad h HIS 442 CO 0.19 -0.26 -0.04 0.52 -1.30 0.00 0.00 177.93 177.04 3iad h MET 443 N -0.22 1.03 -0.40 5.26 2.86 -1.85 0.55 114.93 122.16 3iad h MET 443 Ca 0.11 -0.34 0.03 0.00 -2.06 0.00 0.00 59.70 57.44 3iad h MET 443 Cb 0.38 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 3iad h MET 443 CO -0.29 1.03 0.20 -0.91 1.06 0.00 0.00 176.91 178.00 3iad h ASN 444 N 0.93 0.29 -0.17 1.22 2.35 -1.85 0.15 115.58 118.50 3iad h ASN 444 Ca 0.16 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 3iad h ASN 444 Cb 0.59 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 3iad h ASN 444 CO 0.04 0.21 0.06 -0.07 -1.65 0.00 0.00 177.43 176.02 3iad h LEU 445 N 0.41 0.25 -0.81 1.61 3.38 -0.88 -2.52 115.31 116.75 3iad h LEU 445 Ca 0.17 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3iad h LEU 445 Cb 0.07 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3iad h LEU 445 CO -0.12 0.37 0.39 0.25 0.09 0.00 0.00 178.44 179.43 3iad h LEU 446 N 0.11 1.06 -1.20 1.67 5.85 -0.72 -0.53 115.31 121.55 3iad h LEU 446 Ca 0.06 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3iad h LEU 446 Cb 0.21 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3iad h LEU 446 CO -0.00 0.90 0.49 0.00 -0.34 0.00 0.00 178.44 179.48 3iad h ALA 447 N 1.21 1.41 -0.20 1.25 0.00 -0.68 -0.33 119.26 121.92 3iad h ALA 447 Ca 0.28 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3iad h ALA 447 Cb 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3iad h ALA 447 CO -0.04 0.53 -0.10 -0.44 0.00 0.00 0.00 179.25 179.20 3iad h ASP 448 N 1.05 0.43 -0.80 0.00 5.19 -0.91 -2.32 116.42 119.06 3iad h ASP 448 Ca 0.28 -0.41 -0.03 0.00 -0.62 0.00 0.00 57.03 56.25 3iad h ASP 448 Cb -0.08 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 39.27 3iad h ASP 448 CO -0.06 0.75 0.40 0.25 -3.12 0.00 0.00 179.24 177.46 3iad h LEU 449 N 0.12 1.03 -0.50 1.55 5.85 -0.81 -0.50 115.31 122.05 3iad h LEU 449 Ca 0.04 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3iad h LEU 449 Cb 0.59 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3iad h LEU 449 CO 0.03 0.86 0.29 0.11 -0.34 0.00 0.00 178.44 179.40 3iad h LYS 450 N 1.12 0.68 -0.47 1.25 1.57 -1.09 -0.44 116.57 119.19 3iad h LYS 450 Ca 0.27 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3iad h LYS 450 Cb 0.10 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3iad h LYS 450 CO -0.04 0.50 0.31 1.15 -0.57 0.00 0.00 179.45 180.81 3iad h THR 451 N 0.66 1.10 0.00 -0.16 2.02 -0.97 -1.51 112.91 114.05 3iad h THR 451 Ca 0.18 -0.21 -0.20 0.00 0.77 0.00 0.00 66.41 66.95 3iad h THR 451 Cb 0.00 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3iad h THR 451 CO -0.03 0.11 -0.87 -0.03 0.37 0.00 0.00 175.52 175.07 3iad h MET 452 N 0.61 0.19 -0.33 6.66 1.85 -0.63 -2.86 114.93 120.41 3iad h MET 452 Ca 0.18 -0.21 -0.07 0.00 -0.61 0.00 0.00 59.70 58.99 3iad h MET 452 Cb -0.02 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.05 3iad h MET 452 CO -0.04 0.94 -0.08 0.28 -0.40 0.00 0.00 176.91 177.61 3iad h VAL 453 N 0.10 1.28 0.00 -5.77 2.07 -0.58 -1.30 116.25 112.05 3iad h VAL 453 Ca -0.04 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.34 3iad h VAL 453 Cb 1.50 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 3iad h VAL 453 CO 0.13 0.37 0.00 -0.33 0.02 0.00 0.00 177.57 177.76 3iad h GLU 454 N 0.42 0.00 -0.14 1.57 5.08 -1.31 -2.39 114.58 117.81 3iad h GLU 454 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3iad h GLU 454 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3iad h GLU 454 CO 0.03 0.00 0.00 2.41 -1.00 0.00 0.00 179.01 180.45 3iad n THR 455 N -2.76 2.10 -1.66 1.13 -1.04 -1.08 -5.05 114.28 105.91 3iad n THR 455 Ca 0.01 -2.07 -0.56 0.00 -2.04 0.00 0.00 64.05 59.39 3iad n THR 455 Cb 0.24 -0.25 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 3iad n THR 455 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3iad n LYS 456 N -0.96 1.10 -4.48 -2.82 4.81 -0.50 -4.96 118.16 110.36 3iad n LYS 456 Ca 0.19 0.40 -0.33 0.00 -0.87 0.00 0.00 58.31 57.70 3iad n LYS 456 Cb 0.77 -2.06 -0.16 0.00 0.02 0.00 0.00 35.03 33.60 3iad n LYS 456 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3iad s LYS 457 N 2.32 3.08 0.07 1.64 1.02 -1.26 -5.08 119.74 121.53 3iad s LYS 457 Ca 0.93 -0.81 -0.01 0.00 0.02 0.00 0.00 55.97 56.10 3iad s LYS 457 Cb -1.04 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 3iad s LYS 457 CO 0.59 -0.06 0.23 0.54 -0.92 0.00 0.00 175.35 175.73 3iad s VAL 458 N 0.95 5.36 0.77 3.17 0.11 -1.26 -1.67 120.40 127.84 3iad s VAL 458 Ca -0.03 -0.32 -0.09 0.00 -2.93 0.00 0.00 61.98 58.61 3iad s VAL 458 Cb -0.15 -3.62 0.09 0.00 -1.53 0.00 0.00 36.38 31.17 3iad s VAL 458 CO -0.04 0.14 1.11 0.42 -3.33 0.00 0.00 175.10 173.40 3iad s THR 459 N -1.52 2.14 0.25 5.04 -4.23 0.27 -4.83 115.64 112.75 3iad s THR 459 Ca 0.35 -0.16 -0.03 0.00 -1.18 0.00 0.00 61.69 60.67 3iad s THR 459 Cb -0.13 -2.98 0.23 0.00 1.34 0.00 0.00 72.50 70.96 3iad s THR 459 CO 0.27 0.00 1.82 0.28 -0.54 0.00 0.00 174.62 176.45 3iad h SER 460 N -0.89 0.73 -1.23 3.99 0.02 -2.00 -2.66 113.55 111.52 3iad h SER 460 Ca -0.45 0.05 -0.55 0.00 -0.84 0.00 0.00 61.79 60.00 3iad h SER 460 Cb 1.31 -0.10 -0.19 0.00 0.14 0.00 0.00 62.40 63.56 3iad h SER 460 CO 0.58 0.42 0.57 -0.24 -1.14 0.00 0.00 176.83 177.02 3iad n SER 461 N -4.71 6.70 -4.13 3.07 2.88 -1.26 -4.88 113.62 111.28 3iad n SER 461 Ca 0.14 -3.31 -0.30 0.00 -1.33 0.00 0.00 58.87 54.07 3iad n SER 461 Cb 0.28 -1.21 -0.05 0.00 -0.75 0.00 0.00 64.21 62.48 3iad n SER 461 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3iad n GLY 462 N 0.67 -0.26 3.02 0.46 0.00 -1.00 -4.96 105.19 103.12 3iad n GLY 462 Ca 0.50 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.63 3iad n GLY 462 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iad s VAL 463 N -4.11 0.12 0.25 1.61 1.01 -1.26 -4.78 120.40 113.24 3iad s VAL 463 Ca 0.07 -1.02 -0.31 0.00 0.00 0.00 0.00 61.98 60.72 3iad s VAL 463 Cb -0.03 -0.49 -0.11 0.00 0.00 0.00 0.00 36.38 35.75 3iad s VAL 463 CO 0.95 -0.56 1.61 -0.22 0.00 0.00 0.00 175.10 176.88 3iad s LEU 464 N -1.69 4.36 -0.29 3.92 2.96 -0.94 0.94 118.68 127.94 3iad s LEU 464 Ca -0.12 2.86 -0.08 0.00 -0.22 0.00 0.00 54.13 56.57 3iad s LEU 464 Cb -0.07 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.00 3iad s LEU 464 CO -0.02 -0.89 0.10 -0.22 -1.32 0.00 0.00 176.35 173.99 3iad s LEU 465 N 0.12 3.85 -0.34 -0.68 2.96 -0.67 -4.74 118.68 119.18 3iad s LEU 465 Ca 0.66 -0.61 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 3iad s LEU 465 Cb -0.47 -1.91 0.11 0.00 0.50 0.00 0.00 46.19 44.41 3iad s LEU 465 CO 0.41 -0.17 0.11 -0.76 -1.32 0.00 0.00 176.35 174.62 3iad s LEU 466 N 1.54 2.91 -0.01 -0.68 1.43 -1.26 -4.73 118.68 117.87 3iad s LEU 466 Ca 0.04 -1.91 -0.01 0.00 -1.03 0.00 0.00 54.13 51.21 3iad s LEU 466 Cb -0.17 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 3iad s LEU 466 CO 0.03 -0.39 0.18 0.44 0.23 0.00 0.00 176.35 176.85 3iad h ASP 467 N 7.77 -0.03 -4.24 2.29 5.19 -1.97 -3.45 116.42 121.98 3iad h ASP 467 Ca -0.10 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.81 3iad h ASP 467 Cb 1.00 0.01 0.09 0.00 0.18 0.00 0.00 39.33 40.61 3iad h ASP 467 CO 0.49 0.04 0.37 0.54 -3.12 0.00 0.00 179.24 177.56 3iad s ASN 468 N -3.23 5.30 0.31 6.45 4.22 -1.26 -4.94 114.94 121.79 3iad s ASN 468 Ca -0.01 1.85 0.02 0.00 -2.14 0.00 0.00 52.86 52.58 3iad s ASN 468 Cb 0.00 -2.53 0.58 0.00 1.28 0.00 0.00 41.25 40.57 3iad s ASN 468 CO 0.02 -1.50 1.91 0.22 -2.04 0.00 0.00 177.10 175.71 3iad h TYR 469 N -0.11 1.00 -0.68 1.54 3.20 -2.00 -2.86 116.97 117.06 3iad h TYR 469 Ca -0.46 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.49 3iad h TYR 469 Cb 1.23 -0.33 -0.05 0.00 1.54 0.00 0.00 36.73 39.12 3iad h TYR 469 CO 0.58 0.51 0.40 1.03 -1.64 0.00 0.00 178.16 179.03 3iad h SER 470 N 0.97 0.61 0.57 -2.11 0.87 -1.99 -0.56 113.55 111.90 3iad h SER 470 Ca 0.38 0.02 -0.21 0.00 -1.23 0.00 0.00 61.79 60.76 3iad h SER 470 Cb 0.24 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3iad h SER 470 CO -0.15 0.40 -0.92 0.44 -0.53 0.00 0.00 176.83 176.08 3iad h ASP 471 N 0.74 0.30 0.05 6.23 3.32 -1.93 -2.82 116.42 122.31 3iad h ASP 471 Ca 0.30 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3iad h ASP 471 Cb 0.14 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3iad h ASP 471 CO -0.16 1.07 -0.03 0.03 -1.72 0.00 0.00 179.24 178.43 3iad h ARG 472 N 0.12 -0.07 0.00 3.56 3.08 -1.20 -2.87 114.38 117.01 3iad h ARG 472 Ca -0.05 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 3iad h ARG 472 Cb 1.56 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.62 3iad h ARG 472 CO 0.14 0.11 -0.36 0.97 -1.07 0.00 0.00 179.97 179.76 3iad h ILE 473 N -0.24 0.82 -0.36 2.04 6.09 -1.23 -2.91 117.51 121.73 3iad h ILE 473 Ca -0.01 -1.52 -0.08 0.00 -1.37 0.00 0.00 64.86 61.88 3iad h ILE 473 Cb 0.21 1.95 -0.02 0.00 0.47 0.00 0.00 36.82 39.43 3iad h ILE 473 CO 0.01 0.35 -0.11 -0.61 -3.07 0.00 0.00 178.15 174.73 3iad h GLN 474 N 0.00 0.63 -0.22 2.19 4.15 -1.46 -0.69 115.11 119.72 3iad h GLN 474 Ca -0.00 -0.19 -0.15 0.00 0.77 0.00 0.00 58.65 59.07 3iad h GLN 474 Cb 0.92 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.55 3iad h GLN 474 CO 0.05 0.73 -0.46 0.28 -1.93 0.00 0.00 178.83 177.49 3iad h VAL 475 N 0.58 1.31 -0.53 2.39 2.07 -1.32 -2.44 116.25 118.31 3iad h VAL 475 Ca 0.10 -1.68 -0.07 0.00 0.82 0.00 0.00 66.70 65.87 3iad h VAL 475 Cb 0.53 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 3iad h VAL 475 CO 0.03 0.53 0.05 -0.07 0.02 0.00 0.00 177.57 178.13 3iad h LEU 476 N 0.40 0.88 -0.02 2.57 3.38 -1.40 0.18 115.31 121.31 3iad h LEU 476 Ca 0.00 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.72 3iad h LEU 476 Cb 1.07 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 3iad h LEU 476 CO 0.10 0.94 -0.18 1.56 0.09 0.00 0.00 178.44 180.96 3iad h GLN 477 N 0.79 -0.27 0.00 1.13 4.20 -1.15 -0.83 115.11 118.97 3iad h GLN 477 Ca 0.16 0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 3iad h GLN 477 Cb 0.46 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 3iad h GLN 477 CO 0.02 -0.18 -0.33 -0.91 -0.67 0.00 0.00 178.83 176.76 3iad h ASN 478 N -0.28 0.00 0.49 1.46 2.35 -1.29 -0.26 115.58 118.05 3iad h ASN 478 Ca 0.06 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3iad h ASN 478 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 3iad h ASN 478 CO -0.18 0.33 -0.24 -0.03 -1.65 0.00 0.00 177.43 175.67 3iad h MET 479 N 0.00 -0.63 -0.04 0.81 4.05 -0.15 0.49 114.93 119.45 3iad h MET 479 Ca -0.00 0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.37 3iad h MET 479 Cb 0.59 0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.53 3iad h MET 479 CO 0.04 -0.34 -0.37 0.28 0.23 0.00 0.00 176.91 176.75 3iad h VAL 480 N -0.88 1.28 -0.25 -5.77 2.07 -1.14 0.18 116.25 111.75 3iad h VAL 480 Ca -0.07 -1.34 -0.07 0.00 0.82 0.00 0.00 66.70 66.04 3iad h VAL 480 Cb 0.59 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3iad h VAL 480 CO 0.11 0.39 -0.13 -0.74 0.02 0.00 0.00 177.57 177.23 3iad h HIS 481 N 0.08 0.61 -0.54 1.57 6.17 -0.99 0.98 115.15 123.02 3iad h HIS 481 Ca 0.01 -0.15 0.04 0.00 0.71 0.00 0.00 60.37 60.98 3iad h HIS 481 Cb 0.70 -0.14 -0.04 0.00 2.52 0.00 0.00 27.41 30.44 3iad h HIS 481 CO 0.00 0.79 0.29 0.00 0.71 0.00 0.00 177.93 179.73 3iad h ALA 483 N 1.28 1.53 -0.30 0.00 0.00 -0.47 -1.77 119.26 119.53 3iad h ALA 483 Ca 0.24 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3iad h ALA 483 Cb 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3iad h ALA 483 CO -0.15 0.32 -0.24 0.22 0.00 0.00 0.00 179.25 179.40 3iad h ASP 484 N 1.01 0.59 -1.73 0.00 3.58 -0.09 -2.99 116.42 116.78 3iad h ASP 484 Ca 0.40 -0.20 -0.70 0.00 0.42 0.00 0.00 57.03 56.94 3iad h ASP 484 Cb 0.25 -0.16 -0.32 0.00 1.72 0.00 0.00 39.33 40.82 3iad h ASP 484 CO -0.16 0.82 0.50 0.18 -2.88 0.00 0.00 179.24 177.70 3iad n LEU 485 N -4.12 6.70 -0.00 2.28 4.77 -0.50 -4.61 117.00 121.53 3iad n LEU 485 Ca -0.00 -4.88 0.09 0.00 -0.03 0.00 0.00 56.01 51.19 3iad n LEU 485 Cb 0.42 -0.87 -0.13 0.00 -2.33 0.00 0.00 43.42 40.51 3iad n LEU 485 CO 0.43 1.87 -0.40 -1.54 -1.33 0.00 0.00 177.39 176.43 3iad n SER 486 N -0.57 0.70 -0.24 -1.43 3.41 -0.72 -4.70 113.62 110.07 3iad n SER 486 Ca 0.50 -0.47 -0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3iad n SER 486 Cb 0.41 1.46 0.07 0.00 -0.26 0.00 0.00 64.21 65.89 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 0.00 -0.73 0.81 4.04 -0.26 -1.83 -0.82 115.58 116.79 3iad h ASN 487 Ca 0.00 0.22 0.00 0.00 -0.56 0.00 0.00 56.30 55.96 3iad h ASN 487 Cb 0.68 0.46 0.00 0.00 -1.06 0.00 0.00 38.32 38.40 3iad h ASN 487 CO 0.00 -0.25 0.00 -0.65 -1.06 0.00 0.00 177.43 175.47 3iad h PRO 488 N -0.02 0.00 -0.00 0.81 0.11 -1.93 -2.52 132.00 128.44 3iad h PRO 488 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3iad h PRO 488 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3iad h PRO 488 CO -0.73 0.00 -0.21 0.25 -0.21 0.00 0.00 178.00 177.10 3iad n THR 489 N -2.40 0.00 -2.81 -1.15 -2.24 -0.32 -4.24 114.28 101.11 3iad n THR 489 Ca 0.02 -0.08 -0.29 0.00 -2.27 0.00 0.00 64.05 61.42 3iad n THR 489 Cb 0.25 0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.56 3.71 0.25 -0.78 -0.14 -0.95 -4.51 119.74 114.75 3iad s LYS 490 Ca 0.24 0.38 -0.29 0.00 -1.36 0.00 0.00 55.97 54.94 3iad s LYS 490 Cb 0.19 -2.40 -0.15 0.00 -1.68 0.00 0.00 37.83 33.80 3iad s LYS 490 CO 0.52 -0.07 0.92 -2.30 -0.76 0.00 0.00 175.35 173.66 3iad n PRO 491 N -1.54 0.98 -0.29 -1.68 -0.02 -1.26 -4.50 135.00 126.69 3iad n PRO 491 Ca 0.02 0.35 0.20 0.00 -2.02 0.00 0.00 63.50 62.05 3iad n PRO 491 Cb 0.54 -1.65 0.50 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 1.99 0.45 -1.06 2.45 5.85 -1.94 -0.60 115.31 122.45 3iad h LEU 492 Ca -0.38 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.35 3iad h LEU 492 Cb 1.37 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 3iad h LEU 492 CO 0.61 0.14 0.04 0.06 -0.34 0.00 0.00 178.44 178.95 3iad h GLN 493 N 0.43 0.71 -0.08 1.25 -0.00 -2.00 -0.72 115.11 114.70 3iad h GLN 493 Ca 0.53 -0.16 -0.06 0.00 -0.00 0.00 0.00 58.65 58.96 3iad h GLN 493 Cb 1.30 -0.10 0.00 0.00 -0.00 0.00 0.00 27.48 28.68 3iad h GLN 493 CO -0.23 0.70 -0.17 -0.07 -0.00 0.00 0.00 178.83 179.06 3iad h LEU 494 N 0.68 0.28 -0.50 0.06 3.38 -1.45 -3.21 115.31 114.56 3iad h LEU 494 Ca 0.14 -0.57 0.06 0.00 0.09 0.00 0.00 57.88 57.60 3iad h LEU 494 Cb 0.36 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3iad h LEU 494 CO 0.01 0.80 0.20 0.22 0.09 0.00 0.00 178.44 179.76 3iad h TYR 495 N -0.22 0.36 -0.58 1.13 3.20 -1.19 -1.79 116.97 117.87 3iad h TYR 495 Ca 0.00 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.00 3iad h TYR 495 Cb 0.75 -0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.85 3iad h TYR 495 CO 0.11 0.14 0.14 0.00 -1.64 0.00 0.00 178.16 176.92 3iad h ARG 496 N 0.40 0.28 -0.80 1.82 2.47 -1.23 -0.67 114.38 116.65 3iad h ARG 496 Ca 0.23 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.90 3iad h ARG 496 Cb 0.21 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.43 3iad h ARG 496 CO -0.21 0.18 0.37 1.96 0.56 0.00 0.00 179.97 182.84 3iad h GLN 497 N 0.28 1.16 -0.13 0.04 4.20 -1.35 -0.77 115.11 118.54 3iad h GLN 497 Ca 0.30 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 3iad h GLN 497 Cb 0.43 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3iad h GLN 497 CO -0.37 0.91 0.02 -1.49 -0.67 0.00 0.00 178.83 177.23 3iad h TRP 498 N 1.14 0.23 -0.24 2.96 -0.00 -0.72 -1.78 115.95 117.54 3iad h TRP 498 Ca 0.27 -0.03 0.02 0.00 -0.00 0.00 0.00 58.89 59.15 3iad h TRP 498 Cb 0.14 -0.06 -0.02 0.00 -0.00 0.00 0.00 29.16 29.21 3iad h TRP 498 CO 0.01 0.39 0.09 1.15 -0.00 0.00 0.00 178.44 180.09 3iad h THR 499 N 0.00 0.96 -0.63 1.49 2.02 -0.96 0.31 112.91 116.10 3iad h THR 499 Ca 0.04 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 3iad h THR 499 Cb 0.28 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 3iad h THR 499 CO 0.00 0.04 0.38 0.44 0.37 0.00 0.00 175.52 176.75 3iad h ASP 500 N 0.21 0.75 -0.10 4.18 3.32 -1.12 -1.05 116.42 122.61 3iad h ASP 500 Ca 0.10 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 3iad h ASP 500 Cb 0.06 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3iad h ASP 500 CO -0.10 0.58 -0.22 0.03 -1.72 0.00 0.00 179.24 177.81 3iad h ARG 501 N 0.87 0.32 -0.50 3.56 3.08 -0.80 -1.32 114.38 119.58 3iad h ARG 501 Ca 0.23 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3iad h ARG 501 Cb -0.04 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3iad h ARG 501 CO -0.04 0.82 0.13 0.97 -1.07 0.00 0.00 179.97 180.77 3iad h ILE 502 N -0.14 1.21 -0.11 2.04 6.09 -0.14 -0.95 117.51 125.51 3iad h ILE 502 Ca -0.00 -0.76 -0.18 0.00 -1.37 0.00 0.00 64.86 62.55 3iad h ILE 502 Cb 0.82 0.70 -0.00 0.00 0.47 0.00 0.00 36.82 38.80 3iad h ILE 502 CO 0.05 0.28 -0.69 0.24 -3.07 0.00 0.00 178.15 174.95 3iad h MET 503 N 0.73 0.49 -0.38 2.19 2.86 -1.24 -0.75 114.93 118.84 3iad h MET 503 Ca 0.16 -0.38 0.02 0.00 -2.06 0.00 0.00 59.70 57.45 3iad h MET 503 Cb 0.26 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 3iad h MET 503 CO -0.00 1.00 0.21 1.49 1.06 0.00 0.00 176.91 180.66 3iad h GLU 504 N 0.34 0.41 -0.26 1.72 4.81 -0.74 -0.11 114.58 120.74 3iad h GLU 504 Ca -0.02 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 3iad h GLU 504 Cb 1.27 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 3iad h GLU 504 CO 0.12 0.27 -0.02 1.49 -0.73 0.00 0.00 179.01 180.15 3iad h GLU 505 N 0.42 0.47 -0.17 1.92 4.81 -1.12 -2.40 114.58 118.52 3iad h GLU 505 Ca 0.15 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3iad h GLU 505 Cb 0.04 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3iad h GLU 505 CO -0.09 0.65 0.06 0.74 -0.73 0.00 0.00 179.01 179.65 3iad h PHE 506 N 0.25 0.12 -0.45 0.92 -1.00 -1.06 -2.18 116.94 113.53 3iad h PHE 506 Ca 0.07 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.86 3iad h PHE 506 Cb 0.45 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.96 3iad h PHE 506 CO 0.04 0.06 0.28 0.74 -1.61 0.00 0.00 178.31 177.83 3iad h PHE 507 N 0.15 0.58 -0.18 -0.55 0.04 -1.02 -1.72 116.94 114.24 3iad h PHE 507 Ca 0.07 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.75 3iad h PHE 507 Cb 0.03 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 3iad h PHE 507 CO -0.11 0.37 -0.32 0.00 -0.60 0.00 0.00 178.31 177.66 3iad h ARG 508 N 0.62 0.36 -0.51 1.51 3.08 -1.04 -0.01 114.38 118.38 3iad h ARG 508 Ca 0.16 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 3iad h ARG 508 Cb -0.05 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3iad h ARG 508 CO -0.03 0.64 -0.02 0.37 -1.07 0.00 0.00 179.97 179.86 3iad h GLN 509 N 0.31 0.92 -0.43 0.04 4.15 -0.75 -2.24 115.11 117.11 3iad h GLN 509 Ca 0.04 -0.30 0.03 0.00 0.77 0.00 0.00 58.65 59.19 3iad h GLN 509 Cb 0.72 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.29 3iad h GLN 509 CO 0.05 0.95 0.23 0.78 -1.93 0.00 0.00 178.83 178.91 3iad h GLY 510 N 0.79 0.59 0.89 2.39 0.00 -1.00 0.22 103.07 106.95 3iad h GLY 510 Ca 0.14 -0.16 0.06 0.00 0.00 0.00 0.00 47.33 47.37 3iad h GLY 510 CO 0.03 0.12 0.58 -0.55 0.00 0.00 0.00 176.54 176.72 3iad h ASP 511 N 0.45 0.89 0.06 0.19 3.32 -0.92 0.41 116.42 120.83 3iad h ASP 511 Ca 0.18 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.07 3iad h ASP 511 Cb 0.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3iad h ASP 511 CO -0.11 0.58 -0.57 0.03 -1.72 0.00 0.00 179.24 177.44 3iad h ARG 512 N 1.02 0.53 -0.32 3.56 3.08 -0.83 -2.63 114.38 118.78 3iad h ARG 512 Ca 0.38 -0.34 -0.13 0.00 0.07 0.00 0.00 59.98 59.96 3iad h ARG 512 Cb 0.18 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3iad h ARG 512 CO -0.14 0.95 -0.32 0.93 -1.07 0.00 0.00 179.97 180.33 3iad h GLU 513 N 0.40 0.69 -0.27 0.04 5.08 0.26 -2.87 114.58 117.92 3iad h GLU 513 Ca 0.00 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 57.97 3iad h GLU 513 Cb 1.12 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3iad h GLU 513 CO 0.11 0.92 -0.14 -0.09 -1.00 0.00 0.00 179.01 178.80 3iad h ARG 514 N 0.59 0.57 0.00 2.33 2.43 -0.18 -0.49 114.38 119.62 3iad h ARG 514 Ca 0.07 -0.25 -0.08 0.00 -0.81 0.00 0.00 59.98 58.91 3iad h ARG 514 Cb 0.83 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 3iad h ARG 514 CO 0.07 0.82 -0.36 1.05 -1.51 0.00 0.00 179.97 180.04 3iad h GLU 515 N 0.30 0.00 -0.01 0.20 4.11 -1.54 -2.88 114.58 114.76 3iad h GLU 515 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 3iad h GLU 515 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3iad h GLU 515 CO 0.04 0.36 0.00 0.54 0.07 0.00 0.00 179.01 180.02 3iad n ARG 516 N -3.84 1.22 -1.06 1.06 1.74 -1.08 -4.91 116.66 109.78 3iad n ARG 516 Ca -0.01 -0.32 -0.02 0.00 -0.77 0.00 0.00 57.85 56.73 3iad n ARG 516 Cb 0.43 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.39 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 1.04 0.45 3.87 -0.13 0.00 -1.09 -5.02 105.19 104.32 3iad n GLY 517 Ca 0.21 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.33 3.24 -0.06 1.61 -1.94 -0.21 -5.02 119.30 115.60 3iad s MET 518 Ca 0.00 0.64 -0.30 0.00 -1.71 0.00 0.00 55.69 54.32 3iad s MET 518 Cb 0.00 -2.05 -0.03 0.00 2.01 0.00 0.00 34.83 34.76 3iad s MET 518 CO 0.00 -0.80 1.16 -2.00 -0.01 0.00 0.00 175.02 173.37 3iad s GLU 519 N -5.24 4.37 0.08 2.03 2.12 -1.26 -4.45 118.70 116.35 3iad s GLU 519 Ca 0.57 1.62 -0.31 0.00 0.36 0.00 0.00 54.97 57.21 3iad s GLU 519 Cb -0.11 -3.54 -0.08 0.00 0.26 0.00 0.00 34.13 30.66 3iad s GLU 519 CO 0.53 -0.40 1.50 0.42 -0.54 0.00 0.00 175.26 176.77 3iad s ILE 520 N 2.08 3.21 0.68 -3.70 1.01 -1.26 -4.97 121.20 118.24 3iad s ILE 520 Ca 0.54 0.76 -0.15 0.00 0.00 0.00 0.00 60.65 61.80 3iad s ILE 520 Cb -0.24 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.76 3iad s ILE 520 CO 0.22 0.03 1.13 -0.44 0.00 0.00 0.00 174.94 175.87 3iad s SER 521 N 1.70 4.90 0.13 3.58 0.01 -1.26 -4.92 113.70 117.84 3iad s SER 521 Ca 0.68 2.07 -0.35 0.00 1.31 0.00 0.00 55.95 59.66 3iad s SER 521 Cb -0.38 -2.56 -0.15 0.00 0.21 0.00 0.00 66.02 63.14 3iad s SER 521 CO 0.30 -1.77 1.41 -2.65 0.41 0.00 0.00 173.24 170.94 3iad n PRO 522 N -2.49 1.54 -1.14 12.44 -0.02 -1.26 -1.63 135.00 142.43 3iad n PRO 522 Ca 0.11 0.55 -0.05 0.00 -2.02 0.00 0.00 63.50 62.09 3iad n PRO 522 Cb 0.52 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 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 2.73 -0.96 0.00 -0.52 2.81 -1.26 -4.87 117.12 115.05 3iad n MET 523 Ca 0.17 0.55 0.06 0.00 -1.81 0.00 0.00 57.70 56.67 3iad n MET 523 Cb 0.23 -4.44 0.04 0.00 -0.71 0.00 0.00 33.22 28.35 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 -1.21 6.32 0.52 0.00 2.15 -1.26 -3.78 116.67 119.42 3iad s ASP 525 Ca 0.14 -0.30 0.30 0.00 0.43 0.00 0.00 52.55 53.12 3iad s ASP 525 Cb 0.10 -2.30 1.39 0.00 -0.30 0.00 0.00 42.92 41.81 3iad s ASP 525 CO 0.20 -0.70 2.01 0.07 -0.17 0.00 0.00 175.17 176.58 3iad h LYS 526 N 8.77 0.00 -0.01 4.34 2.10 -1.91 -2.35 116.57 127.51 3iad h LYS 526 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 3iad h LYS 526 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 3iad h LYS 526 CO 0.86 0.10 -0.10 0.72 -2.00 0.00 0.00 179.45 179.04 3iad n HIS 527 N -3.36 0.00 -2.90 0.07 8.25 -1.26 -4.53 115.22 111.50 3iad n HIS 527 Ca -0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 3iad n HIS 527 Cb 0.29 -0.08 -0.01 0.00 1.12 0.00 0.00 29.99 31.31 3iad n HIS 527 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3iad n ASN 528 N -0.44 -2.71 -3.76 0.41 5.15 -0.89 -5.14 115.26 107.89 3iad n ASN 528 Ca 0.17 -2.84 -0.12 0.00 -0.60 0.00 0.00 54.58 51.19 3iad n ASN 528 Cb 0.31 1.23 -0.08 0.00 -0.53 0.00 0.00 39.78 40.71 3iad n ASN 528 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iad s ALA 529 N 0.63 -0.69 -0.39 5.20 0.00 -1.21 -4.57 121.76 120.74 3iad s ALA 529 Ca 0.31 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.33 3iad s ALA 529 Cb 0.03 0.28 0.13 0.00 0.00 0.00 0.00 23.12 23.57 3iad s ALA 529 CO -0.10 -0.39 0.21 -1.54 0.00 0.00 0.00 175.76 173.95 3iad s SER 530 N -1.94 3.38 0.12 0.00 1.04 -1.26 -5.01 113.70 110.03 3iad s SER 530 Ca -0.06 -2.32 -0.19 0.00 0.48 0.00 0.00 55.95 53.85 3iad s SER 530 Cb -0.02 -0.73 -0.05 0.00 0.10 0.00 0.00 66.02 65.32 3iad s SER 530 CO -0.02 -0.30 1.76 0.58 0.98 0.00 0.00 173.24 176.23 3iad h VAL 531 N 5.28 1.09 -0.33 5.02 2.07 -1.99 -2.32 116.25 125.06 3iad h VAL 531 Ca 0.00 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.21 3iad h VAL 531 Cb 0.95 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3iad h VAL 531 CO 0.39 0.09 -0.24 -0.33 0.02 0.00 0.00 177.57 177.50 3iad h GLU 532 N 0.32 0.74 -0.57 1.57 3.07 -1.95 -2.31 114.58 115.45 3iad h GLU 532 Ca 0.09 -0.36 -0.01 0.00 -0.50 0.00 0.00 59.36 58.58 3iad h GLU 532 Cb 0.00 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 3iad h GLU 532 CO -0.02 0.97 0.31 0.87 -1.40 0.00 0.00 179.01 179.75 3iad h LYS 533 N 0.51 0.80 0.00 2.33 1.57 -1.86 -3.10 116.57 116.83 3iad h LYS 533 Ca 0.06 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 3iad h LYS 533 Cb 0.80 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 3iad h LYS 533 CO 0.06 0.62 -0.42 0.66 -0.57 0.00 0.00 179.45 179.80 3iad h SER 534 N 0.77 0.00 -0.39 0.86 4.64 -1.29 -1.04 113.55 117.10 3iad h SER 534 Ca 0.20 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.45 3iad h SER 534 Cb 0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3iad h SER 534 CO -0.03 0.42 -0.05 1.56 -0.87 0.00 0.00 176.83 177.87 3iad h GLN 535 N 0.00 0.72 -0.35 4.77 1.08 -1.42 0.28 115.11 120.19 3iad h GLN 535 Ca -0.00 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 56.93 3iad h GLN 535 Cb 1.00 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.36 3iad h GLN 535 CO 0.05 0.84 0.19 0.28 -0.95 0.00 0.00 178.83 179.24 3iad h VAL 536 N 0.54 1.15 -0.22 -0.54 2.07 -1.41 0.17 116.25 118.00 3iad h VAL 536 Ca 0.11 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.28 3iad h VAL 536 Cb 0.54 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3iad h VAL 536 CO 0.03 0.15 0.00 1.23 0.02 0.00 0.00 177.57 179.00 3iad h GLY 537 N 0.44 0.22 0.63 2.17 0.00 -1.15 0.14 103.07 105.51 3iad h GLY 537 Ca 0.12 0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.55 3iad h GLY 537 CO -0.02 -0.04 0.45 -2.75 0.00 0.00 0.00 176.54 174.18 3iad h PHE 538 N 0.07 0.83 -0.19 5.60 3.57 -0.04 -1.11 116.94 125.67 3iad h PHE 538 Ca 0.11 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 3iad h PHE 538 Cb 0.13 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 3iad h PHE 538 CO -0.18 0.38 -0.32 0.82 -2.23 0.00 0.00 178.31 176.77 3iad h ILE 539 N 0.80 1.34 -0.36 1.41 2.04 -0.33 -2.38 117.51 120.02 3iad h ILE 539 Ca 0.36 -1.55 -0.09 0.00 1.00 0.00 0.00 64.86 64.58 3iad h ILE 539 Cb 0.25 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 3iad h ILE 539 CO -0.21 0.47 -0.12 0.44 0.00 0.00 0.00 178.15 178.74 3iad h ASP 540 N 0.22 0.73 0.20 1.72 3.32 -0.36 -0.89 116.42 121.36 3iad h ASP 540 Ca 0.01 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3iad h ASP 540 Cb 0.91 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3iad h ASP 540 CO 0.07 0.94 -0.96 -1.22 -1.72 0.00 0.00 179.24 176.35 3iad n TYR 541 N -4.36 0.05 0.07 4.55 4.02 -0.45 -4.60 117.16 116.44 3iad n TYR 541 Ca -0.02 0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3iad n TYR 541 Cb 0.37 -0.18 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 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 -1.64 0.09 -0.04 -0.72 5.41 -1.06 -4.86 119.36 116.54 3iad n ILE 542 Ca 0.03 0.03 -0.14 0.00 1.00 0.00 0.00 62.75 63.67 3iad n ILE 542 Cb 0.37 -0.65 -0.08 0.00 -0.71 0.00 0.00 39.64 38.57 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 1.38 -0.34 1.39 2.07 -1.47 -2.85 116.25 116.44 3iad h VAL 543 Ca 0.00 -1.55 -0.04 0.00 0.82 0.00 0.00 66.70 65.92 3iad h VAL 543 Cb 0.07 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 3iad h VAL 543 CO 0.00 0.45 0.04 -0.74 0.02 0.00 0.00 177.57 177.34 3iad h HIS 544 N -0.05 0.61 -0.51 1.57 -0.00 -1.42 -0.39 115.15 114.95 3iad h HIS 544 Ca -0.00 -0.09 0.04 0.00 -0.00 0.00 0.00 60.37 60.32 3iad h HIS 544 Cb 0.86 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 28.07 3iad h HIS 544 CO 0.11 0.65 0.28 -1.35 -0.00 0.00 0.00 177.93 177.62 3iad h PRO 545 N 0.39 0.54 -0.16 5.26 0.11 -1.79 0.63 132.00 136.98 3iad h PRO 545 Ca 0.10 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.19 3iad h PRO 545 Cb 0.38 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3iad h PRO 545 CO 0.01 0.35 0.07 1.25 -0.21 0.00 0.00 178.00 179.48 3iad h LEU 546 N 0.55 0.10 -0.43 2.35 5.85 -1.33 -2.53 115.31 119.87 3iad h LEU 546 Ca 0.22 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.78 3iad h LEU 546 Cb 0.09 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3iad h LEU 546 CO -0.13 0.08 -0.78 -0.50 -0.34 0.00 0.00 178.44 176.77 3iad h TRP 547 N 0.16 0.01 -0.49 1.25 4.06 -0.89 -2.05 115.95 117.99 3iad h TRP 547 Ca 0.07 -0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.92 3iad h TRP 547 Cb 0.02 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.16 3iad h TRP 547 CO -0.10 0.78 -0.06 1.49 -3.56 0.00 0.00 178.44 177.00 3iad h GLU 548 N 0.00 0.87 -0.23 0.49 4.81 -0.84 0.40 114.58 120.09 3iad h GLU 548 Ca -0.01 -0.28 -0.18 0.00 -0.13 0.00 0.00 59.36 58.76 3iad h GLU 548 Cb 1.38 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 3iad h GLU 548 CO 0.10 0.91 -0.59 1.15 -0.73 0.00 0.00 179.01 179.85 3iad h THR 549 N 0.79 1.29 -0.67 0.32 2.02 -1.37 0.62 112.91 115.92 3iad h THR 549 Ca 0.14 -1.80 -0.06 0.00 0.77 0.00 0.00 66.41 65.46 3iad h THR 549 Cb 0.56 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.68 3iad h THR 549 CO 0.03 0.58 0.19 -0.25 0.37 0.00 0.00 175.52 176.44 3iad h TRP 550 N 0.57 1.09 -0.63 3.16 2.91 -1.22 -1.33 115.95 120.50 3iad h TRP 550 Ca 0.00 -0.12 0.06 0.00 1.13 0.00 0.00 58.89 59.96 3iad h TRP 550 Cb 1.18 -0.31 -0.05 0.00 -0.51 0.00 0.00 29.16 29.46 3iad h TRP 550 CO 0.06 0.89 0.34 0.00 -1.03 0.00 0.00 178.44 178.70 3iad h ALA 551 N 1.08 0.84 -0.50 2.65 0.00 0.03 -2.04 119.26 121.33 3iad h ALA 551 Ca 0.21 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3iad h ALA 551 Cb 0.32 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3iad h ALA 551 CO -0.00 0.00 0.25 -0.44 0.00 0.00 0.00 179.25 179.06 3iad h ASP 552 N 0.63 0.64 -0.82 0.00 5.19 -0.66 0.05 116.42 121.46 3iad h ASP 552 Ca 0.29 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 3iad h ASP 552 Cb 0.19 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.50 3iad h ASP 552 CO -0.19 0.58 0.46 0.25 -3.12 0.00 0.00 179.24 177.23 3iad h LEU 553 N 0.66 1.02 -3.29 1.55 5.85 -0.68 -2.85 115.31 117.58 3iad h LEU 553 Ca 0.17 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 3iad h LEU 553 Cb 0.09 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 3iad h LEU 553 CO -0.02 0.81 -0.05 1.33 -0.34 0.00 0.00 178.44 180.16 3iad n VAL 554 N -4.35 2.41 -1.59 1.05 0.24 -0.82 -4.97 118.33 110.30 3iad n VAL 554 Ca 0.09 -2.44 -0.48 0.00 -2.04 0.00 0.00 64.34 59.47 3iad n VAL 554 Cb 0.09 -0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 32.13 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 -0.95 1.41 -1.39 6.34 -0.00 -0.00 -1.59 115.22 119.04 3iad n HIS 555 Ca 0.28 0.65 -0.10 0.00 -0.00 0.00 0.00 57.72 58.54 3iad n HIS 555 Cb 0.95 -2.30 0.19 0.00 -0.00 0.00 0.00 29.99 28.84 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 1.66 1.98 -0.22 1.57 -0.04 -1.26 -4.98 135.00 133.71 3iad n PRO 556 Ca 0.14 -3.14 -0.07 0.00 -0.04 0.00 0.00 63.50 60.39 3iad n PRO 556 Cb 0.27 -1.93 0.04 0.00 -0.04 0.00 0.00 33.50 31.83 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 1.02 0.78 -0.80 3.54 3.32 -1.59 -3.15 116.42 119.54 3iad h ASP 557 Ca 0.35 -0.10 -0.41 0.00 0.02 0.00 0.00 57.03 56.89 3iad h ASP 557 Cb 2.04 -0.20 -0.24 0.00 0.22 0.00 0.00 39.33 41.15 3iad h ASP 557 CO 0.61 0.65 0.52 0.00 -1.72 0.00 0.00 179.24 179.31 3iad n ALA 558 N -2.32 4.99 0.05 3.45 0.00 -1.26 -4.45 120.51 120.96 3iad n ALA 558 Ca 0.04 -2.33 -0.12 0.00 0.00 0.00 0.00 53.44 51.03 3iad n ALA 558 Cb 0.09 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.17 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 0.88 0.46 -0.51 0.00 5.75 -1.92 -2.29 115.11 117.49 3iad h GLN 559 Ca 0.50 -0.42 -0.09 0.00 -0.15 0.00 0.00 58.65 58.50 3iad h GLN 559 Cb 2.50 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 31.13 3iad h GLN 559 CO 0.89 1.06 -0.03 -0.44 -2.65 0.00 0.00 178.83 177.66 3iad h ASP 560 N 0.29 0.85 -0.50 -0.69 3.32 -1.87 0.11 116.42 117.93 3iad h ASP 560 Ca -0.05 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 3iad h ASP 560 Cb 1.43 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 3iad h ASP 560 CO 0.14 0.93 0.26 0.40 -1.72 0.00 0.00 179.24 179.25 3iad h ILE 561 N 0.80 1.18 -0.21 0.35 2.04 -1.86 -1.57 117.51 118.25 3iad h ILE 561 Ca 0.15 -0.49 -0.11 0.00 1.00 0.00 0.00 64.86 65.41 3iad h ILE 561 Cb 0.52 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3iad h ILE 561 CO 0.03 0.20 -0.33 0.25 0.00 0.00 0.00 178.15 178.29 3iad h LEU 562 N 0.66 0.45 -0.75 1.44 5.85 -1.07 -2.17 115.31 119.72 3iad h LEU 562 Ca 0.17 -0.17 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 3iad h LEU 562 Cb 0.08 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3iad h LEU 562 CO -0.03 0.76 -0.32 0.44 -0.34 0.00 0.00 178.44 178.95 3iad h ASP 563 N 0.37 0.61 0.23 1.25 3.32 -0.60 -2.26 116.42 119.34 3iad h ASP 563 Ca 0.04 -0.24 -0.14 0.00 0.02 0.00 0.00 57.03 56.72 3iad h ASP 563 Cb 0.77 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3iad h ASP 563 CO 0.06 0.89 -0.53 0.74 -1.72 0.00 0.00 179.24 178.68 3iad h THR 564 N 0.50 1.35 -0.22 0.35 2.02 -1.10 -1.59 112.91 114.23 3iad h THR 564 Ca 0.06 -1.80 -0.02 0.00 0.77 0.00 0.00 66.41 65.42 3iad h THR 564 Cb 0.80 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 3iad h THR 564 CO 0.07 0.54 0.06 0.25 0.37 0.00 0.00 175.52 176.81 3iad h LEU 565 N 0.25 0.33 -0.91 2.58 5.85 -1.26 -0.70 115.31 121.45 3iad h LEU 565 Ca 0.01 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 3iad h LEU 565 Cb 1.01 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3iad h LEU 565 CO 0.09 0.46 0.09 -0.33 -0.34 0.00 0.00 178.44 178.41 3iad h GLU 566 N 0.18 0.89 0.28 1.25 5.08 -1.38 -0.29 114.58 120.59 3iad h GLU 566 Ca 0.07 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3iad h GLU 566 Cb 0.26 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3iad h GLU 566 CO -0.00 0.83 -0.22 -0.44 -1.00 0.00 0.00 179.01 178.17 3iad h ASP 567 N 0.84 -0.58 -0.12 1.42 3.32 -1.17 -2.46 116.42 117.67 3iad h ASP 567 Ca 0.18 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 3iad h ASP 567 Cb 0.37 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3iad h ASP 567 CO 0.01 -0.34 -0.01 0.78 -1.72 0.00 0.00 179.24 177.96 3iad h ASN 568 N -0.51 0.30 0.07 6.45 2.35 -0.93 -1.21 115.58 122.10 3iad h ASN 568 Ca -0.02 -0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.71 3iad h ASN 568 Cb 0.46 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 3iad h ASN 568 CO -0.02 0.36 -0.17 -0.09 -1.65 0.00 0.00 177.43 175.86 3iad h ARG 569 N 0.32 -0.30 0.00 0.81 1.12 -0.87 -2.03 114.38 113.43 3iad h ARG 569 Ca 0.07 0.02 -0.09 0.00 -1.11 0.00 0.00 59.98 58.88 3iad h ARG 569 Cb 0.23 0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.24 3iad h ARG 569 CO 0.01 -0.20 -0.41 0.93 -3.11 0.00 0.00 179.97 177.18 3iad h GLU 570 N -0.31 0.00 -0.02 0.20 4.39 -0.93 -1.36 114.58 116.55 3iad h GLU 570 Ca 0.03 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 3iad h GLU 570 Cb 0.34 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3iad h GLU 570 CO -0.11 0.41 0.01 2.35 -1.16 0.00 0.00 179.01 180.51 3iad h TRP 571 N 0.00 0.04 -0.36 4.33 7.01 -1.02 -1.95 115.95 124.00 3iad h TRP 571 Ca -0.00 -0.00 -0.10 0.00 2.11 0.00 0.00 58.89 60.90 3iad h TRP 571 Cb 0.76 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.79 3iad h TRP 571 CO 0.00 0.22 -0.17 1.88 -2.79 0.00 0.00 178.44 177.58 3iad h TYR 572 N -0.16 0.74 -0.36 2.65 0.05 -1.14 -2.67 116.97 116.08 3iad h TYR 572 Ca 0.01 -0.14 0.02 0.00 0.05 0.00 0.00 58.73 58.66 3iad h TYR 572 Cb 0.20 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 3iad h TYR 572 CO -0.01 0.80 0.21 0.37 -1.05 0.00 0.00 178.16 178.48 3iad h GLN 573 N 0.60 0.42 0.00 4.88 5.75 -1.24 -2.68 115.11 122.84 3iad h GLN 573 Ca 0.10 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 3iad h GLN 573 Cb 0.63 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.08 3iad h GLN 573 CO 0.04 0.28 0.00 -1.13 -2.65 0.00 0.00 178.83 175.37 3iad n SER 574 N -4.88 0.00 -0.38 -0.69 3.41 -0.74 -2.66 113.62 107.67 3iad n SER 574 Ca 0.00 0.31 0.13 0.00 -0.26 0.00 0.00 58.87 59.05 3iad n SER 574 Cb 0.06 -0.42 0.28 0.00 -0.26 0.00 0.00 64.21 63.87 3iad n SER 574 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3iad n THR 575 N -1.42 0.00 -0.46 6.66 -1.04 -1.01 -5.09 114.28 111.93 3iad n THR 575 Ca 0.06 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 3iad n THR 575 Cb 0.19 0.70 0.00 0.00 -1.82 0.00 0.00 70.33 69.40 3iad n THR 575 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3iad n ILE 576 N -0.27 0.00 -0.62 12.58 5.41 -1.09 -5.04 119.36 130.33 3iad n ILE 576 Ca 0.12 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.65 3iad n ILE 576 Cb 0.40 -1.02 0.02 0.00 -0.71 0.00 0.00 39.64 38.33 3iad n ILE 576 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3iad n GLY 593 N 2.55 -2.81 3.83 7.39 0.00 -1.26 -5.46 105.19 109.43 3iad n GLY 593 Ca 0.00 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.61 6.64 0.61 1.61 3.04 -1.26 -5.00 114.94 119.98 3iad s ASN 594 Ca 0.25 0.77 0.34 0.00 0.04 0.00 0.00 52.86 54.26 3iad s ASN 594 Cb -0.12 -2.19 1.99 0.00 -1.54 0.00 0.00 41.25 39.38 3iad s ASN 594 CO 0.50 0.31 2.28 1.56 -3.04 0.00 0.00 177.10 178.71 3iad h GLN 595 N 5.10 0.00 0.12 0.43 4.20 -1.99 -2.36 115.11 120.62 3iad h GLN 595 Ca -0.51 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.20 3iad h GLN 595 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3iad h GLN 595 CO 0.63 0.01 -0.06 0.28 -0.67 0.00 0.00 178.83 179.02 3iad h VAL 596 N 0.00 1.06 -0.18 -0.54 2.07 -1.98 -1.78 116.25 114.90 3iad h VAL 596 Ca -0.00 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.56 3iad h VAL 596 Cb 0.03 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3iad h VAL 596 CO 0.00 0.20 -0.28 0.77 0.02 0.00 0.00 177.57 178.28 3iad h SER 597 N -0.58 0.33 -0.76 0.57 4.64 -1.93 -1.82 113.55 113.99 3iad h SER 597 Ca -0.02 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 3iad h SER 597 Cb 0.46 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.42 3iad h SER 597 CO 0.03 0.61 0.44 -0.33 -0.87 0.00 0.00 176.83 176.71 3iad h GLU 598 N 0.29 1.05 0.22 4.77 5.08 -1.45 -1.60 114.58 122.94 3iad h GLU 598 Ca 0.04 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3iad h GLU 598 Cb 0.65 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3iad h GLU 598 CO 0.05 0.76 -0.11 0.35 -1.00 0.00 0.00 179.01 179.07 3iad h PHE 599 N 1.05 -0.27 -0.15 4.33 3.04 -0.92 -1.42 116.94 122.60 3iad h PHE 599 Ca 0.27 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.25 3iad h PHE 599 Cb 0.00 0.09 -0.04 0.00 2.56 0.00 0.00 35.95 38.56 3iad h PHE 599 CO -0.00 0.03 -0.10 0.82 -2.02 0.00 0.00 178.31 177.04 3iad h ILE 600 N -0.58 0.71 -0.39 1.41 2.04 -1.34 0.14 117.51 119.50 3iad h ILE 600 Ca -0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.90 3iad h ILE 600 Cb 0.43 0.71 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 3iad h ILE 600 CO 0.05 0.00 -0.04 -1.28 0.00 0.00 0.00 178.15 176.88 3iad h SER 601 N -0.09 -0.24 1.91 1.72 0.87 -1.29 -0.70 113.55 115.73 3iad h SER 601 Ca 0.09 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3iad h SER 601 Cb 0.23 0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 3iad h SER 601 CO -0.21 -0.08 -0.09 0.78 -0.53 0.00 0.00 176.83 176.70 3iad h ASN 602 N 0.06 0.00 0.02 6.23 2.35 -0.85 -3.28 115.58 120.11 3iad h ASN 602 Ca 0.19 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.54 3iad h ASN 602 Cb 0.28 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.59 3iad h ASN 602 CO -0.35 0.01 -2.31 0.41 -1.65 0.00 0.00 177.43 173.54 3iad n THR 603 N -3.07 1.55 0.67 2.81 -1.04 0.47 -4.70 114.28 110.97 3iad n THR 603 Ca 0.04 -0.48 0.08 0.00 -2.04 0.00 0.00 64.05 61.64 3iad n THR 603 Cb 0.53 -1.66 0.03 0.00 -1.82 0.00 0.00 70.33 67.41 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 -3.68 0.00 -4.03 -1.42 3.01 -0.29 -2.19 117.46 108.85 3iad n PHE 604 Ca -0.45 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 57.75 3iad n PHE 604 Cb 0.94 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.37 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 -1.71 4.01 0.00 4.37 1.43 -1.24 -3.61 118.68 121.93 3iad s LEU 605 Ca 0.15 -0.03 0.27 0.00 -1.03 0.00 0.00 54.13 53.49 3iad s LEU 605 Cb 0.13 -2.60 0.77 0.00 0.03 0.00 0.00 46.19 44.52 3iad s LEU 605 CO 0.31 0.05 1.59 -0.67 0.23 0.00 0.00 176.35 177.86