#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iec h GLU 305 N 0.00 0.09 -0.31 -0.67 4.22 -2.06 0.09 114.58 115.93 1iec h GLU 305 Ca 0.00 -0.03 -0.08 0.00 0.08 0.00 0.00 59.36 59.33 1iec h GLU 305 Cb 0.00 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1iec h GLU 305 CO 0.00 0.43 -0.15 0.37 -2.18 0.00 0.00 179.01 177.48 1iec h GLN 306 N -0.27 0.55 -0.74 1.92 4.15 -2.06 -1.53 115.11 117.13 1iec h GLN 306 Ca 0.01 -0.17 0.01 0.00 0.77 0.00 0.00 58.65 59.27 1iec h GLN 306 Cb 0.40 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 1iec h GLN 306 CO 0.00 0.68 0.49 0.37 -1.93 0.00 0.00 178.83 178.45 1iec h GLN 307 N 0.50 0.97 -0.35 1.69 4.15 -1.96 -0.83 115.11 119.29 1iec h GLN 307 Ca 0.09 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.36 1iec h GLN 307 Cb 0.55 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1iec h GLN 307 CO 0.03 0.64 -0.14 1.03 -1.93 0.00 0.00 178.83 178.46 1iec h SER 308 N 0.99 0.73 -0.60 -0.69 0.87 -0.01 -3.09 113.55 111.75 1iec h SER 308 Ca 0.27 -0.39 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 1iec h SER 308 Cb -0.10 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.64 1iec h SER 308 CO -0.06 0.96 0.28 1.56 -0.53 0.00 0.00 176.83 179.03 1iec h GLN 309 N 0.49 0.87 -0.94 2.24 4.20 -0.66 -2.68 115.11 118.63 1iec h GLN 309 Ca 0.08 -0.13 0.18 0.00 0.06 0.00 0.00 58.65 58.84 1iec h GLN 309 Cb 0.67 -0.15 -0.11 0.00 0.30 0.00 0.00 27.48 28.19 1iec h GLN 309 CO 0.05 0.71 0.53 0.00 -0.67 0.00 0.00 178.83 179.44 1iec h ALA 310 N 1.11 1.52 -0.24 3.87 0.00 -1.10 0.95 119.26 125.38 1iec h ALA 310 Ca 0.20 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1iec h ALA 310 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1iec h ALA 310 CO -0.02 -0.11 0.00 0.28 0.00 0.00 0.00 179.25 179.39 1iec n VAL 311 N -4.84 0.94 -1.65 0.00 0.31 -1.02 -4.79 118.33 107.27 1iec n VAL 311 Ca 0.21 -0.51 -0.30 0.00 -0.01 0.00 0.00 64.34 63.73 1iec n VAL 311 Cb 0.55 -0.29 0.09 0.00 -0.91 0.00 0.00 33.84 33.28 1iec n VAL 311 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1iec s ALA 312 N -1.67 2.34 0.51 3.52 0.00 0.33 -4.97 121.76 121.81 1iec s ALA 312 Ca 0.21 -0.34 -0.22 0.00 0.00 0.00 0.00 51.96 51.61 1iec s ALA 312 Cb 0.15 -3.06 -0.07 0.00 0.00 0.00 0.00 23.12 20.14 1iec s ALA 312 CO 0.08 -1.70 1.20 -2.30 0.00 0.00 0.00 175.76 173.03 1iec n PRO 313 N -3.39 1.52 -5.01 0.00 -0.02 -1.26 -5.01 135.00 121.83 1iec n PRO 313 Ca 0.07 0.56 -0.31 0.00 -2.02 0.00 0.00 63.50 61.79 1iec n PRO 313 Cb 0.57 -2.36 -0.17 0.00 -0.02 0.00 0.00 33.50 31.52 1iec n PRO 313 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1iec s VAL 314 N -1.32 1.96 0.10 -1.45 1.01 -0.93 -4.75 120.40 115.03 1iec s VAL 314 Ca 0.69 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 1iec s VAL 314 Cb -0.46 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 1iec s VAL 314 CO 0.52 0.54 0.31 -0.31 0.00 0.00 0.00 175.10 176.15 1iec s TYR 315 N 0.51 3.50 -0.02 5.22 1.51 0.39 0.70 117.35 129.16 1iec s TYR 315 Ca -0.15 0.45 0.01 0.00 -1.01 0.00 0.00 57.07 56.36 1iec s TYR 315 Cb -0.17 -1.91 0.01 0.00 -0.11 0.00 0.00 41.96 39.77 1iec s TYR 315 CO 0.06 0.51 -0.03 0.54 -1.11 0.00 0.00 175.55 175.52 1iec s VAL 316 N -1.57 0.30 0.05 0.71 0.11 -0.49 -1.13 120.40 118.39 1iec s VAL 316 Ca 0.38 -0.08 -0.00 0.00 -2.93 0.00 0.00 61.98 59.34 1iec s VAL 316 Cb -0.13 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 1iec s VAL 316 CO 0.25 0.13 -0.04 -0.83 -3.33 0.00 0.00 175.10 171.28 1iec s GLY 317 N 0.41 0.49 0.00 6.54 0.00 0.48 0.06 107.32 115.29 1iec s GLY 317 Ca -0.04 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.58 1iec s GLY 317 CO -0.01 -1.20 0.00 0.61 0.00 0.00 0.00 173.10 172.50 1iec n GLY 318 N 0.42 2.22 3.76 0.20 0.00 -0.88 -0.55 105.19 110.35 1iec n GLY 318 Ca -0.16 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 1iec n GLY 318 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iec s PHE 319 N -2.00 3.75 -0.36 1.61 0.40 -1.26 -1.61 117.98 118.51 1iec s PHE 319 Ca 0.00 1.81 0.22 0.00 -0.60 0.00 0.00 56.93 58.37 1iec s PHE 319 Cb 0.00 -3.03 -0.08 0.00 0.51 0.00 0.00 43.02 40.42 1iec s PHE 319 CO 0.00 0.09 0.88 1.28 0.70 0.00 0.00 175.22 178.17 1iec n LEU 320 N 0.99 0.53 -3.61 -0.37 4.77 0.13 -4.19 117.00 115.25 1iec n LEU 320 Ca 0.00 0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 1iec n LEU 320 Cb 0.48 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.44 1iec n LEU 320 CO 0.49 -0.03 0.63 0.00 -1.33 0.00 0.00 177.39 177.15 1iec s ALA 321 N -3.32 -1.89 -0.29 -1.18 0.00 -1.21 -4.63 121.76 109.24 1iec s ALA 321 Ca -0.00 1.79 -0.03 0.00 0.00 0.00 0.00 51.96 53.71 1iec s ALA 321 Cb 0.13 -1.04 0.04 0.00 0.00 0.00 0.00 23.12 22.24 1iec s ALA 321 CO 0.83 -0.29 0.01 1.03 0.00 0.00 0.00 175.76 177.34 1iec s ARG 322 N -0.18 2.64 0.37 0.00 1.81 -1.26 -1.00 118.95 121.32 1iec s ARG 322 Ca -0.00 -1.13 0.23 0.00 -1.72 0.00 0.00 55.73 53.10 1iec s ARG 322 Cb -0.03 -3.21 1.23 0.00 -0.45 0.00 0.00 34.95 32.49 1iec s ARG 322 CO -0.01 -0.56 1.67 1.88 -0.68 0.00 0.00 175.30 177.61 1iec h TYR 323 N 8.07 0.00 -0.01 -0.53 0.05 -1.67 0.91 116.97 123.79 1iec h TYR 323 Ca -0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.53 1iec h TYR 323 Cb 1.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.82 1iec h TYR 323 CO 0.60 0.00 -0.11 -0.40 -1.05 0.00 0.00 178.16 177.20 1iec n ASP 324 N -2.32 1.24 -4.51 3.88 5.75 -1.26 -4.84 116.55 114.49 1iec n ASP 324 Ca -0.02 -1.20 -0.36 0.00 -0.01 0.00 0.00 54.79 53.21 1iec n ASP 324 Cb 0.10 0.05 -0.12 0.00 -1.03 0.00 0.00 41.12 40.13 1iec n ASP 324 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1iec s GLN 325 N -2.23 3.77 -0.39 0.11 -1.52 0.31 -5.07 119.66 114.65 1iec s GLN 325 Ca 0.32 -0.43 -0.16 0.00 -1.95 0.00 0.00 55.36 53.14 1iec s GLN 325 Cb 0.20 -3.27 0.01 0.00 -0.22 0.00 0.00 33.01 29.73 1iec s GLN 325 CO 0.42 -0.01 0.36 0.45 -0.25 0.00 0.00 175.29 176.26 1iec s SER 326 N 1.13 6.15 0.35 5.90 0.15 -1.26 -4.89 113.70 121.23 1iec s SER 326 Ca 0.04 -0.61 -0.22 0.00 0.70 0.00 0.00 55.95 55.86 1iec s SER 326 Cb -0.14 -2.19 -0.10 0.00 -1.71 0.00 0.00 66.02 61.88 1iec s SER 326 CO 0.03 -0.45 0.90 -2.16 1.20 0.00 0.00 173.24 172.76 1iec s PRO 327 N 1.93 4.34 0.32 5.44 0.04 -1.26 -4.97 135.00 140.84 1iec s PRO 327 Ca 0.09 1.12 0.08 0.00 0.04 0.00 0.00 61.00 62.33 1iec s PRO 327 Cb -0.18 -2.53 0.55 0.00 0.04 0.00 0.00 34.50 32.38 1iec s PRO 327 CO 0.12 0.16 1.75 -0.44 0.04 0.00 0.00 177.00 178.63 1iec h ASP 328 N 2.61 0.19 -3.33 6.66 3.45 -1.98 -3.43 116.42 120.60 1iec h ASP 328 Ca -0.48 -0.07 -0.59 0.00 0.43 0.00 0.00 57.03 56.32 1iec h ASP 328 Cb 1.19 -0.05 -0.10 0.00 -0.56 0.00 0.00 39.33 39.81 1iec h ASP 328 CO 0.63 0.55 -0.26 -1.61 -1.57 0.00 0.00 179.24 176.98 1iec s GLU 329 N -4.22 4.27 0.39 3.56 2.02 -1.26 -4.99 118.70 118.48 1iec s GLU 329 Ca -0.04 0.20 0.09 0.00 0.02 0.00 0.00 54.97 55.23 1iec s GLU 329 Cb 0.14 -3.44 0.80 0.00 0.10 0.00 0.00 34.13 31.72 1iec s GLU 329 CO 0.76 0.18 1.94 0.00 0.02 0.00 0.00 175.26 178.16 1iec h ALA 330 N 6.79 1.55 0.00 5.21 0.00 -2.00 -2.60 119.26 128.20 1iec h ALA 330 Ca -0.40 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1iec h ALA 330 Cb 1.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1iec h ALA 330 CO 0.75 0.33 0.00 1.05 0.00 0.00 0.00 179.25 181.38 1iec h GLU 331 N 0.30 0.00 -0.11 0.00 4.11 -1.97 -1.79 114.58 115.11 1iec h GLU 331 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1iec h GLU 331 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1iec h GLU 331 CO 0.01 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.37 1iec n LEU 332 N -2.83 2.13 -4.73 3.06 4.77 -0.98 -4.93 117.00 113.49 1iec n LEU 332 Ca -0.01 -0.80 -0.42 0.00 -0.03 0.00 0.00 56.01 54.75 1iec n LEU 332 Cb 0.15 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1iec n LEU 332 CO 0.20 0.40 1.03 -0.76 -1.33 0.00 0.00 177.39 176.93 1iec s LEU 333 N -1.80 4.40 -0.45 2.23 1.43 -0.68 -4.94 118.68 118.87 1iec s LEU 333 Ca 0.34 2.39 0.05 0.00 -1.03 0.00 0.00 54.13 55.89 1iec s LEU 333 Cb 0.20 -3.60 0.18 0.00 0.03 0.00 0.00 46.19 43.00 1iec s LEU 333 CO 0.30 -0.59 0.50 -0.22 0.23 0.00 0.00 176.35 176.57 1iec s LEU 334 N 0.35 0.10 0.70 1.79 2.96 -1.26 -5.12 118.68 118.19 1iec s LEU 334 Ca 0.60 -2.38 -0.15 0.00 -0.22 0.00 0.00 54.13 51.98 1iec s LEU 334 Cb -0.37 0.61 0.02 0.00 0.50 0.00 0.00 46.19 46.95 1iec s LEU 334 CO 0.35 -0.13 1.16 -2.84 -1.32 0.00 0.00 176.35 173.57 1iec s PRO 335 N 0.53 2.45 0.27 0.98 0.02 -1.26 -4.84 135.00 133.15 1iec s PRO 335 Ca 0.30 1.58 -0.01 0.00 0.02 0.00 0.00 61.00 62.90 1iec s PRO 335 Cb 0.00 -1.89 0.48 0.00 0.02 0.00 0.00 34.50 33.11 1iec s PRO 335 CO -0.12 -1.56 1.85 -0.09 -0.33 0.00 0.00 177.00 176.75 1iec h ARG 336 N -0.14 1.02 -0.64 5.54 2.43 -1.99 -1.50 114.38 119.10 1iec h ARG 336 Ca -0.47 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 58.55 1iec h ARG 336 Cb 1.27 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 1iec h ARG 336 CO 0.52 0.67 0.05 0.38 -1.51 0.00 0.00 179.97 180.08 1iec h ASP 337 N 1.05 1.05 -0.24 -3.80 2.03 -1.98 -0.35 116.42 114.17 1iec h ASP 337 Ca 0.46 -0.27 -0.04 0.00 -0.73 0.00 0.00 57.03 56.45 1iec h ASP 337 Cb 0.35 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.56 1iec h ASP 337 CO -0.23 1.07 0.01 0.58 -1.03 0.00 0.00 179.24 179.64 1iec h VAL 338 N 1.00 1.25 0.21 4.15 2.07 -1.79 -1.47 116.25 121.67 1iec h VAL 338 Ca 0.19 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1iec h VAL 338 Cb 0.50 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1iec h VAL 338 CO 0.02 0.27 -0.10 0.58 0.02 0.00 0.00 177.57 178.36 1iec h VAL 339 N 0.19 0.80 -0.01 2.57 2.07 -1.16 -1.91 116.25 118.81 1iec h VAL 339 Ca 0.07 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 1iec h VAL 339 Cb 0.39 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1iec h VAL 339 CO 0.01 0.00 -0.15 -0.33 0.02 0.00 0.00 177.57 177.12 1iec h GLU 340 N -0.29 0.02 0.36 1.57 5.08 -1.06 0.25 114.58 120.50 1iec h GLU 340 Ca -0.03 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1iec h GLU 340 Cb 0.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1iec h GLU 340 CO 0.05 0.17 -0.17 1.25 -1.00 0.00 0.00 179.01 179.30 1iec h HIS 341 N 0.02 -0.45 0.00 4.33 2.76 -1.04 -3.11 115.15 117.65 1iec h HIS 341 Ca 0.00 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1iec h HIS 341 Cb 0.28 0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.39 1iec h HIS 341 CO 0.00 -0.13 -0.07 -1.49 -1.30 0.00 0.00 177.93 174.94 1iec h TRP 342 N -0.96 0.00 -3.24 5.26 6.55 -1.17 -3.51 115.95 118.88 1iec h TRP 342 Ca -0.05 0.00 -0.57 0.00 0.95 0.00 0.00 58.89 59.22 1iec h TRP 342 Cb 0.53 0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 28.77 1iec h TRP 342 CO 0.03 0.07 0.94 -1.17 -1.05 0.00 0.00 178.44 177.26 1iec s LEU 343 N -7.79 3.86 0.00 -4.49 2.96 0.86 -5.02 118.68 109.07 1iec s LEU 343 Ca -0.04 1.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.95 1iec s LEU 343 Cb 0.15 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.29 1iec s LEU 343 CO 0.59 -1.07 0.00 0.55 -1.32 0.00 0.00 176.35 175.11 1iec n VAL 355 N 6.23 0.00 -1.82 1.68 3.14 -1.26 -5.04 118.33 121.26 1iec n VAL 355 Ca 0.14 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 61.10 1iec n VAL 355 Cb 0.47 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.23 1iec n VAL 355 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1iec s ALA 356 N -2.13 3.80 0.47 1.55 0.00 -1.26 -4.96 121.76 119.23 1iec s ALA 356 Ca 0.00 1.52 -0.23 0.00 0.00 0.00 0.00 51.96 53.24 1iec s ALA 356 Cb 0.00 -3.65 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 1iec s ALA 356 CO 0.00 -0.90 1.21 -0.51 0.00 0.00 0.00 175.76 175.56 1iec s LEU 357 N 0.33 4.02 0.53 0.00 1.43 -1.26 -4.79 118.68 118.94 1iec s LEU 357 Ca 0.68 2.42 -0.17 0.00 -1.03 0.00 0.00 54.13 56.02 1iec s LEU 357 Cb -0.47 -4.20 -0.07 0.00 0.03 0.00 0.00 46.19 41.48 1iec s LEU 357 CO 0.39 -1.01 1.02 -2.16 0.23 0.00 0.00 176.35 174.83 1iec s PRO 358 N -2.66 3.70 -0.18 1.29 0.04 -1.26 -0.22 135.00 135.71 1iec s PRO 358 Ca 0.64 1.12 -0.03 0.00 0.04 0.00 0.00 61.00 62.77 1iec s PRO 358 Cb -0.32 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 1iec s PRO 358 CO 0.38 -0.49 -0.05 -1.17 0.04 0.00 0.00 177.00 175.72 1iec s LEU 359 N -4.09 3.04 0.34 -3.56 2.96 0.06 -2.52 118.68 114.90 1iec s LEU 359 Ca 0.62 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 1iec s LEU 359 Cb -0.13 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 1iec s LEU 359 CO 0.31 0.09 0.14 0.54 -1.32 0.00 0.00 176.35 176.11 1iec s ASN 360 N 0.80 2.03 -0.40 3.68 2.20 -0.71 0.16 114.94 122.70 1iec s ASN 360 Ca -0.02 -1.57 -0.14 0.00 -0.94 0.00 0.00 52.86 50.20 1iec s ASN 360 Cb -0.15 0.35 0.02 0.00 -2.00 0.00 0.00 41.25 39.47 1iec s ASN 360 CO 0.02 -0.86 0.28 -0.63 -2.94 0.00 0.00 177.10 172.96 1iec s ILE 361 N -3.44 5.15 -1.47 0.54 1.01 -0.58 0.01 121.20 122.42 1iec s ILE 361 Ca 0.32 -0.65 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 1iec s ILE 361 Cb 0.05 -3.84 0.06 0.00 0.01 0.00 0.00 42.46 38.74 1iec s ILE 361 CO 0.16 -0.26 0.94 -3.20 0.00 0.00 0.00 174.94 172.58 1iec n ASN 362 N 5.13 -4.08 -1.32 3.58 4.05 0.67 -2.26 115.26 121.02 1iec n ASN 362 Ca -0.11 -0.77 -0.16 0.00 0.45 0.00 0.00 54.58 53.99 1iec n ASN 362 Cb 0.47 -4.02 -0.05 0.00 1.23 0.00 0.00 39.78 37.41 1iec n ASN 362 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1iec n HIS 363 N -4.62 -0.16 -3.30 1.20 8.25 -1.26 -4.98 115.22 110.35 1iec n HIS 363 Ca -0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.99 1iec n HIS 363 Cb 0.56 -2.84 -0.08 0.00 1.12 0.00 0.00 29.99 28.75 1iec n HIS 363 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1iec s ASP 364 N -2.72 6.21 0.61 0.41 3.68 -0.96 -4.93 116.67 118.97 1iec s ASP 364 Ca 0.00 -0.58 0.29 0.00 2.13 0.00 0.00 52.55 54.39 1iec s ASP 364 Cb 0.00 -2.23 1.51 0.00 -1.45 0.00 0.00 42.92 40.75 1iec s ASP 364 CO 0.00 -0.58 1.91 0.44 0.13 0.00 0.00 175.17 177.07 1iec h ASP 365 N 8.71 0.00 -0.14 -0.34 5.19 -1.93 0.32 116.42 128.22 1iec h ASP 365 Ca -0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 1iec h ASP 365 Cb 1.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.62 1iec h ASP 365 CO 0.80 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 177.27 1iec n THR 366 N -3.47 0.18 -2.51 0.35 -2.24 -1.26 -4.22 114.28 101.10 1iec n THR 366 Ca 0.05 -0.31 -0.22 0.00 -2.27 0.00 0.00 64.05 61.30 1iec n THR 366 Cb 0.57 0.32 0.01 0.00 -2.10 0.00 0.00 70.33 69.13 1iec n THR 366 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iec n ALA 367 N 0.22 4.61 -2.60 6.98 0.00 0.11 -1.31 120.51 128.52 1iec n ALA 367 Ca 0.16 -3.97 -0.42 0.00 0.00 0.00 0.00 53.44 49.20 1iec n ALA 367 Cb 0.31 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 1iec n ALA 367 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iec s VAL 368 N -4.85 4.58 -0.72 0.00 1.01 -1.26 -1.52 120.40 117.64 1iec s VAL 368 Ca 0.42 1.87 0.07 0.00 0.00 0.00 0.00 61.98 64.35 1iec s VAL 368 Cb 0.41 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1iec s VAL 368 CO -0.12 -0.02 0.58 1.33 0.00 0.00 0.00 175.10 176.87 1iec n VAL 369 N 4.67 0.00 0.00 2.92 0.24 0.12 -2.28 118.33 124.00 1iec n VAL 369 Ca 0.10 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 1iec n VAL 369 Cb 0.47 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.95 1iec n VAL 369 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iec n GLY 370 N 0.68 -0.71 3.30 7.63 0.00 -1.14 -0.82 105.19 114.13 1iec n GLY 370 Ca 0.03 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 1iec n GLY 370 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1iec s HIS 371 N -4.00 0.31 0.04 1.61 -3.43 -0.83 -0.76 115.29 108.23 1iec s HIS 371 Ca 0.00 -0.69 -0.26 0.00 -0.80 0.00 0.00 55.06 53.31 1iec s HIS 371 Cb 0.00 -0.04 -0.05 0.00 -1.43 0.00 0.00 32.58 31.06 1iec s HIS 371 CO 0.00 -0.67 0.82 0.08 -2.00 0.00 0.00 174.74 172.97 1iec s VAL 372 N -3.93 4.73 -0.47 -5.38 1.01 0.69 -0.05 120.40 117.00 1iec s VAL 372 Ca 0.13 1.75 0.13 0.00 0.00 0.00 0.00 61.98 63.99 1iec s VAL 372 Cb 0.04 -4.17 -0.16 0.00 0.00 0.00 0.00 36.38 32.08 1iec s VAL 372 CO -0.03 0.32 0.50 0.00 0.00 0.00 0.00 175.10 175.88 1iec n ALA 373 N 3.02 3.42 -3.61 5.51 0.00 0.18 -4.34 120.51 124.69 1iec n ALA 373 Ca -0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 53.44 52.97 1iec n ALA 373 Cb 0.50 -0.48 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 1iec n ALA 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iec s ALA 374 N -2.42 -1.93 -0.03 0.00 0.00 -0.76 -3.14 121.76 113.48 1iec s ALA 374 Ca 0.03 1.76 -0.01 0.00 0.00 0.00 0.00 51.96 53.74 1iec s ALA 374 Cb 0.10 -1.11 0.03 0.00 0.00 0.00 0.00 23.12 22.14 1iec s ALA 374 CO 0.55 -0.27 0.04 1.41 0.00 0.00 0.00 175.76 177.49 1iec s MET 375 N -0.26 -0.05 -0.02 0.00 0.00 -1.26 0.03 119.30 117.74 1iec s MET 375 Ca 0.01 0.26 -0.01 0.00 0.00 0.00 0.00 55.69 55.95 1iec s MET 375 Cb -0.03 -0.33 0.03 0.00 0.00 0.00 0.00 34.83 34.49 1iec s MET 375 CO -0.02 -0.22 0.05 -1.14 0.00 0.00 0.00 175.02 173.68 1iec s GLN 376 N 1.45 -0.00 -0.31 4.11 2.00 0.14 -5.00 119.66 122.04 1iec s GLN 376 Ca -0.04 0.18 -0.20 0.00 -2.00 0.00 0.00 55.36 53.30 1iec s GLN 376 Cb -0.13 -0.18 -0.01 0.00 0.80 0.00 0.00 33.01 33.50 1iec s GLN 376 CO -0.03 -0.13 0.64 0.45 -0.50 0.00 0.00 175.29 175.71 1iec s SER 377 N 0.86 6.49 0.50 6.67 0.15 -1.26 -0.31 113.70 126.81 1iec s SER 377 Ca -0.07 0.40 0.02 0.00 0.70 0.00 0.00 55.95 57.00 1iec s SER 377 Cb -0.10 -2.33 -0.02 0.00 -1.71 0.00 0.00 66.02 61.86 1iec s SER 377 CO -0.03 -0.50 0.01 0.68 1.20 0.00 0.00 173.24 174.60 1iec s VAL 378 N 2.64 1.25 0.26 4.45 -7.23 -0.15 -5.00 120.40 116.63 1iec s VAL 378 Ca 0.25 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.39 1iec s VAL 378 Cb -0.15 -2.24 0.32 0.00 0.56 0.00 0.00 36.38 34.88 1iec s VAL 378 CO 0.12 0.00 1.62 -0.09 -0.31 0.00 0.00 175.10 176.44 1iec h ARG 379 N 1.37 0.08 -0.11 4.82 2.43 -1.96 -2.30 114.38 118.72 1iec h ARG 379 Ca -0.44 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1iec h ARG 379 Cb 1.31 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1iec h ARG 379 CO 0.74 0.05 0.00 -0.25 -1.51 0.00 0.00 179.97 179.01 1iec n ASP 380 N -5.39 2.11 0.00 -3.80 8.00 -1.26 -4.87 116.55 111.33 1iec n ASP 380 Ca 0.16 -1.72 0.00 0.00 0.71 0.00 0.00 54.79 53.94 1iec n ASP 380 Cb 0.55 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1iec n ASP 380 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iec n GLY 381 N 1.24 -0.41 3.61 0.44 0.00 -0.87 -1.73 105.19 107.48 1iec n GLY 381 Ca 0.17 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 1iec n GLY 381 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iec s LEU 382 N 0.00 4.05 -0.03 0.99 2.96 -0.17 -0.98 118.68 125.50 1iec s LEU 382 Ca 0.00 0.35 0.03 0.00 -0.22 0.00 0.00 54.13 54.28 1iec s LEU 382 Cb 0.00 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 1iec s LEU 382 CO 0.00 -0.22 -0.08 0.12 -1.32 0.00 0.00 176.35 174.85 1iec s PHE 383 N 2.15 2.87 0.07 5.38 2.19 0.58 0.20 117.98 131.41 1iec s PHE 383 Ca 0.17 -0.04 0.01 0.00 0.33 0.00 0.00 56.93 57.40 1iec s PHE 383 Cb -0.16 -1.64 -0.04 0.00 -1.31 0.00 0.00 43.02 39.88 1iec s PHE 383 CO 0.10 0.33 -0.05 0.00 1.83 0.00 0.00 175.22 177.42 1iec s LEU 385 N -2.64 1.74 0.31 0.00 1.98 0.10 -2.08 118.68 118.10 1iec s LEU 385 Ca 0.05 -0.23 0.03 0.00 -2.89 0.00 0.00 54.13 51.08 1iec s LEU 385 Cb 0.02 -0.67 -0.06 0.00 0.66 0.00 0.00 46.19 46.15 1iec s LEU 385 CO -0.05 0.06 0.08 -0.83 -1.89 0.00 0.00 176.35 173.72 1iec s GLY 386 N 0.32 2.03 -0.08 7.98 0.00 0.11 0.50 107.32 118.18 1iec s GLY 386 Ca -0.06 -1.91 -0.01 0.00 0.00 0.00 0.00 44.72 42.73 1iec s GLY 386 CO 0.01 -1.75 0.00 0.00 0.00 0.00 0.00 173.10 171.37 1iec s VAL 388 N 1.96 4.65 -0.03 0.00 1.01 0.22 -1.96 120.40 126.26 1iec s VAL 388 Ca 0.05 0.96 0.05 0.00 0.00 0.00 0.00 61.98 63.04 1iec s VAL 388 Cb -0.12 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 31.90 1iec s VAL 388 CO -0.05 -0.52 0.07 0.35 0.00 0.00 0.00 175.10 174.94 1iec n THR 389 N 5.94 0.17 -1.59 3.92 -2.24 0.00 -2.19 114.28 118.28 1iec n THR 389 Ca 0.05 -0.16 -0.53 0.00 -2.27 0.00 0.00 64.05 61.14 1iec n THR 389 Cb 0.48 -0.25 -0.07 0.00 -2.10 0.00 0.00 70.33 68.39 1iec n THR 389 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1iec n SER 390 N -1.93 2.52 -0.27 3.42 2.88 -0.58 -4.87 113.62 114.78 1iec n SER 390 Ca -0.04 0.78 -0.06 0.00 -1.33 0.00 0.00 58.87 58.22 1iec n SER 390 Cb 0.40 -1.24 0.06 0.00 -0.75 0.00 0.00 64.21 62.68 1iec n SER 390 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1iec h PRO 391 N 9.76 1.09 0.17 -1.46 0.11 -1.93 -1.23 132.00 138.52 1iec h PRO 391 Ca -0.39 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 65.54 1iec h PRO 391 Cb 1.31 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1iec h PRO 391 CO 0.98 0.86 -0.08 0.00 -0.21 0.00 0.00 178.00 179.55 1iec h ARG 392 N 1.06 -0.23 -0.53 1.05 3.08 -1.96 -0.25 114.38 116.61 1iec h ARG 392 Ca 0.26 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.36 1iec h ARG 392 Cb 0.14 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1iec h ARG 392 CO -0.03 -0.01 0.29 0.35 -1.07 0.00 0.00 179.97 179.50 1iec h PHE 393 N -0.41 0.53 -0.71 3.04 3.57 -1.93 0.05 116.94 121.08 1iec h PHE 393 Ca -0.02 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1iec h PHE 393 Cb 0.32 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 1iec h PHE 393 CO -0.01 0.28 0.20 -0.07 -2.23 0.00 0.00 178.31 176.47 1iec h LEU 394 N 0.56 1.05 -0.50 0.59 4.07 -1.16 -0.25 115.31 119.68 1iec h LEU 394 Ca 0.23 -0.21 -0.11 0.00 0.08 0.00 0.00 57.88 57.87 1iec h LEU 394 Cb 0.10 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 1iec h LEU 394 CO -0.14 0.99 -0.11 -0.08 -1.08 0.00 0.00 178.44 178.03 1iec h GLU 395 N 1.07 0.95 0.24 1.13 4.57 -0.60 0.17 114.58 122.12 1iec h GLU 395 Ca 0.23 -0.36 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1iec h GLU 395 Cb 0.33 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1iec h GLU 395 CO -0.00 1.02 -0.21 0.82 -1.18 0.00 0.00 179.01 179.46 1iec h ILE 396 N 0.81 0.56 -0.98 2.32 1.08 -0.59 -1.61 117.51 119.10 1iec h ILE 396 Ca 0.13 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.67 1iec h ILE 396 Cb 0.66 0.56 -0.07 0.00 -3.07 0.00 0.00 36.82 34.90 1iec h ILE 396 CO 0.05 0.00 0.62 0.58 -0.69 0.00 0.00 178.15 178.71 1iec h VAL 397 N -0.47 1.07 -0.39 1.67 2.07 -0.92 -1.62 116.25 117.67 1iec h VAL 397 Ca -0.01 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1iec h VAL 397 Cb 0.42 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1iec h VAL 397 CO -0.02 0.21 0.23 -0.09 0.02 0.00 0.00 177.57 177.91 1iec h ARG 398 N 1.12 0.53 -0.59 1.57 2.43 -0.13 -0.20 114.38 119.11 1iec h ARG 398 Ca 0.43 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.47 1iec h ARG 398 Cb 0.19 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1iec h ARG 398 CO -0.18 0.41 0.07 0.00 -1.51 0.00 0.00 179.97 178.76 1iec h ARG 399 N 0.51 0.97 -0.23 0.20 3.08 -0.72 -2.96 114.38 115.23 1iec h ARG 399 Ca 0.14 -0.25 -0.17 0.00 0.07 0.00 0.00 59.98 59.77 1iec h ARG 399 Cb 0.01 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 1iec h ARG 399 CO -0.03 0.91 -0.54 0.00 -1.07 0.00 0.00 179.97 179.25 1iec h ALA 400 N 1.17 0.62 0.00 0.04 0.00 -1.12 -3.16 119.26 116.82 1iec h ALA 400 Ca 0.18 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1iec h ALA 400 Cb 0.43 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1iec h ALA 400 CO 0.01 0.68 -0.00 0.66 0.00 0.00 0.00 179.25 180.61 1iec h SER 401 N 0.52 0.00 0.26 0.00 4.64 -0.86 -0.64 113.55 117.47 1iec h SER 401 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1iec h SER 401 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1iec h SER 401 CO 0.11 0.00 -0.02 -0.62 -0.87 0.00 0.00 176.83 175.43 1iec n GLU 402 N -4.01 0.80 -0.64 4.77 1.02 -1.19 -3.26 120.64 118.13 1iec n GLU 402 Ca -0.03 -0.11 0.06 0.00 -0.02 0.00 0.00 57.16 57.06 1iec n GLU 402 Cb 0.09 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.20 1iec n GLU 402 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1iec n LYS 403 N -1.00 1.43 -4.08 3.49 4.76 -0.25 -4.98 118.16 117.52 1iec n LYS 403 Ca 0.19 -3.14 -0.33 0.00 -2.87 0.00 0.00 58.31 52.15 1iec n LYS 403 Cb 0.20 -1.47 -0.16 0.00 -1.84 0.00 0.00 35.03 31.77 1iec n LYS 403 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1iec s SER 404 N -3.10 3.46 0.20 4.39 0.15 -1.20 -5.00 113.70 112.60 1iec s SER 404 Ca 0.37 -0.70 -0.11 0.00 0.70 0.00 0.00 55.95 56.21 1iec s SER 404 Cb 0.36 -1.53 0.14 0.00 -1.71 0.00 0.00 66.02 63.29 1iec s SER 404 CO -0.07 -0.03 1.87 -0.33 1.20 0.00 0.00 173.24 175.88 1iec h GLU 405 N 7.95 0.96 -0.48 5.44 4.39 -1.94 -1.82 114.58 129.08 1iec h GLU 405 Ca -0.42 -0.07 0.07 0.00 0.34 0.00 0.00 59.36 59.28 1iec h GLU 405 Cb 1.13 -0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 29.51 1iec h GLU 405 CO 0.62 0.65 0.15 1.25 -1.16 0.00 0.00 179.01 180.52 1iec h LEU 406 N 0.98 0.13 -1.03 1.33 5.85 -1.96 -1.90 115.31 118.72 1iec h LEU 406 Ca 0.26 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.96 1iec h LEU 406 Cb -0.09 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1iec h LEU 406 CO -0.05 0.10 -0.24 0.58 -0.34 0.00 0.00 178.44 178.49 1iec h VAL 407 N 0.32 1.25 -0.29 1.05 2.07 -1.76 -2.86 116.25 116.03 1iec h VAL 407 Ca 0.23 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 1iec h VAL 407 Cb 0.26 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1iec h VAL 407 CO -0.25 0.38 0.11 0.28 0.02 0.00 0.00 177.57 178.10 1iec h SER 408 N 0.37 0.36 0.53 0.57 0.02 -0.55 -1.23 113.55 113.61 1iec h SER 408 Ca 0.06 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1iec h SER 408 Cb 0.62 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1iec h SER 408 CO 0.04 0.34 -0.21 0.03 -1.14 0.00 0.00 176.83 175.89 1iec h ARG 409 N 0.40 0.00 0.00 3.45 3.08 -1.21 -3.49 114.38 116.62 1iec h ARG 409 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1iec h ARG 409 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1iec h ARG 409 CO -0.01 0.21 0.00 0.41 -1.07 0.00 0.00 179.97 179.51 1iec n GLY 410 N -0.39 -1.38 3.92 0.04 0.00 -0.47 -5.00 105.19 101.92 1iec n GLY 410 Ca -0.01 -1.58 -0.28 0.00 0.00 0.00 0.00 46.02 44.15 1iec n GLY 410 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iec s PRO 411 N -1.78 1.83 0.18 1.61 0.04 -1.26 -4.98 135.00 130.63 1iec s PRO 411 Ca 0.00 -0.14 -0.32 0.00 0.04 0.00 0.00 61.00 60.58 1iec s PRO 411 Cb 0.00 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 1iec s PRO 411 CO 0.00 -1.60 1.70 0.14 0.04 0.00 0.00 177.00 177.28 1iec s VAL 412 N -3.50 2.29 0.00 -0.36 -7.23 -1.26 -4.85 120.40 105.49 1iec s VAL 412 Ca 0.63 0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.95 1iec s VAL 412 Cb -0.10 -3.10 0.00 0.00 0.56 0.00 0.00 36.38 33.75 1iec s VAL 412 CO 0.48 0.01 0.00 -0.24 -0.31 0.00 0.00 175.10 175.04 1iec n SER 413 N 4.28 0.00 -0.33 4.85 2.88 -1.26 -1.86 113.62 122.19 1iec n SER 413 Ca 0.16 0.00 0.34 0.00 -1.33 0.00 0.00 58.87 58.03 1iec n SER 413 Cb 0.37 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.54 1iec n SER 413 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1iec h PRO 414 N 0.00 0.05 -6.93 -1.46 0.13 -2.03 -3.42 132.00 118.33 1iec h PRO 414 Ca 0.00 -0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1iec h PRO 414 Cb 0.00 -0.01 0.03 0.00 0.13 0.00 0.00 31.00 31.15 1iec h PRO 414 CO 0.00 0.04 0.46 -0.51 -0.23 0.00 0.00 178.00 177.76 1iec s LEU 415 N -8.55 4.22 0.20 1.56 1.43 -0.78 -5.01 118.68 111.75 1iec s LEU 415 Ca -0.06 2.21 -0.30 0.00 -1.03 0.00 0.00 54.13 54.96 1iec s LEU 415 Cb 0.23 -4.04 -0.08 0.00 0.03 0.00 0.00 46.19 42.34 1iec s LEU 415 CO 0.81 -0.54 1.05 0.00 0.23 0.00 0.00 176.35 177.90 1iec s GLN 416 N -2.27 4.66 0.52 1.70 -2.07 -1.26 -4.82 119.66 116.12 1iec s GLN 416 Ca 0.56 1.66 -0.22 0.00 -1.82 0.00 0.00 55.36 55.53 1iec s GLN 416 Cb -0.27 -3.28 -0.06 0.00 -1.09 0.00 0.00 33.01 28.31 1iec s GLN 416 CO 0.34 0.19 1.36 -2.14 -1.32 0.00 0.00 175.29 173.73 1iec s PRO 417 N -0.63 3.28 -0.43 9.60 0.02 -1.26 -4.89 135.00 140.69 1iec s PRO 417 Ca 0.47 2.25 0.06 0.00 0.02 0.00 0.00 61.00 63.79 1iec s PRO 417 Cb -0.28 -2.35 0.17 0.00 0.02 0.00 0.00 34.50 32.06 1iec s PRO 417 CO 0.35 -1.08 0.53 0.34 -0.33 0.00 0.00 177.00 176.81 1iec s ASP 418 N -0.88 -0.23 0.25 2.53 -1.08 -1.26 -5.05 116.67 110.95 1iec s ASP 418 Ca 0.69 -1.63 -0.13 0.00 -0.52 0.00 0.00 52.55 50.96 1iec s ASP 418 Cb -0.40 1.16 0.32 0.00 -1.46 0.00 0.00 42.92 42.54 1iec s ASP 418 CO 0.49 -0.16 1.57 0.11 0.52 0.00 0.00 175.17 177.69 1iec h LYS 419 N 6.27 -0.02 -0.05 4.34 1.57 -1.92 0.11 116.57 126.87 1iec h LYS 419 Ca 0.08 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1iec h LYS 419 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 1iec h LYS 419 CO 0.14 -0.01 0.02 0.28 -0.57 0.00 0.00 179.45 179.31 1iec h VAL 420 N -0.02 1.14 -0.89 0.50 2.07 -1.88 -0.40 116.25 116.78 1iec h VAL 420 Ca 0.39 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1iec h VAL 420 Cb 0.64 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1iec h VAL 420 CO -0.94 0.12 0.58 0.58 0.02 0.00 0.00 177.57 177.92 1iec h VAL 421 N -0.07 1.18 -0.41 2.57 2.07 -1.69 -1.72 116.25 118.17 1iec h VAL 421 Ca 0.02 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 67.03 1iec h VAL 421 Cb 0.17 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1iec h VAL 421 CO -0.00 0.21 -0.19 -0.33 0.02 0.00 0.00 177.57 177.28 1iec h GLU 422 N 1.15 0.86 -0.71 1.57 5.08 -0.62 -0.36 114.58 121.56 1iec h GLU 422 Ca 0.34 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1iec h GLU 422 Cb -0.06 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1iec h GLU 422 CO -0.10 1.02 0.28 0.35 -1.00 0.00 0.00 179.01 179.56 1iec h PHE 423 N 0.68 1.09 -0.56 4.33 3.57 -0.81 -0.48 116.94 124.77 1iec h PHE 423 Ca 0.09 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1iec h PHE 423 Cb 0.75 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1iec h PHE 423 CO 0.06 0.85 0.01 -0.07 -2.23 0.00 0.00 178.31 176.93 1iec h LEU 424 N 1.03 0.92 -0.98 0.59 3.38 -1.21 -0.34 115.31 118.71 1iec h LEU 424 Ca 0.24 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1iec h LEU 424 Cb 0.22 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1iec h LEU 424 CO -0.02 0.97 -0.04 0.28 0.09 0.00 0.00 178.44 179.72 1iec h SER 425 N 0.88 0.67 0.04 -0.43 0.02 -0.48 -1.43 113.55 112.83 1iec h SER 425 Ca 0.17 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1iec h SER 425 Cb 0.50 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.87 1iec h SER 425 CO 0.02 0.77 -0.32 1.23 -1.14 0.00 0.00 176.83 177.39 1iec h GLY 426 N 0.95 0.16 0.53 -3.77 0.00 -0.86 -3.34 103.07 96.75 1iec h GLY 426 Ca 0.13 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1iec h GLY 426 CO 0.02 0.32 -0.11 1.76 0.00 0.00 0.00 176.54 178.54 1iec h SER 427 N -0.65 -0.25 -2.51 0.19 0.02 -1.08 -3.38 113.55 105.89 1iec h SER 427 Ca -0.05 -0.27 -0.67 0.00 -0.84 0.00 0.00 61.79 59.96 1iec h SER 427 Cb 1.19 0.06 -0.37 0.00 0.14 0.00 0.00 62.40 63.42 1iec h SER 427 CO 0.06 0.20 -0.15 -1.22 -1.14 0.00 0.00 176.83 174.57 1iec n TYR 428 N -5.02 3.27 1.43 3.45 4.02 -0.54 -4.01 117.16 119.76 1iec n TYR 428 Ca -0.09 -3.70 0.14 0.00 -0.01 0.00 0.00 57.90 54.25 1iec n TYR 428 Cb 0.26 -0.80 0.74 0.00 -0.02 0.00 0.00 39.34 39.52 1iec n TYR 428 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1iec n ALA 429 N 1.11 2.43 -2.49 -0.72 0.00 -0.84 -4.52 120.51 115.47 1iec n ALA 429 Ca 0.28 -0.14 -0.24 0.00 0.00 0.00 0.00 53.44 53.34 1iec n ALA 429 Cb 0.38 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.27 1iec n ALA 429 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1iec s GLY 430 N -2.47 2.05 0.17 0.00 0.00 -0.36 -0.27 107.32 106.44 1iec s GLY 430 Ca 0.30 -2.02 0.00 0.00 0.00 0.00 0.00 44.72 43.00 1iec s GLY 430 CO 0.41 -1.94 0.01 1.04 0.00 0.00 0.00 173.10 172.62 1iec n LEU 431 N -0.71 0.00 -3.62 0.66 4.32 0.19 -1.80 117.00 116.04 1iec n LEU 431 Ca -0.05 -1.04 -0.11 0.00 -0.02 0.00 0.00 56.01 54.79 1iec n LEU 431 Cb 0.64 0.11 -0.11 0.00 -1.62 0.00 0.00 43.42 42.44 1iec n LEU 431 CO 0.42 -0.16 -0.05 -0.22 -1.22 0.00 0.00 177.39 176.16 1iec s LEU 433 N 0.00 -0.51 -0.00 2.23 2.96 -1.26 -4.24 118.68 117.86 1iec s LEU 433 Ca 0.01 0.73 -0.15 0.00 -0.22 0.00 0.00 54.13 54.49 1iec s LEU 433 Cb -0.00 1.07 -0.06 0.00 0.50 0.00 0.00 46.19 47.70 1iec s LEU 433 CO 0.00 -0.25 0.42 -0.94 -1.32 0.00 0.00 176.35 174.27 1iec s SER 434 N 2.53 6.82 -0.17 3.68 1.04 -0.61 -5.02 113.70 121.97 1iec s SER 434 Ca 0.01 0.97 -0.08 0.00 0.48 0.00 0.00 55.95 57.33 1iec s SER 434 Cb -0.13 -2.26 -0.04 0.00 0.10 0.00 0.00 66.02 63.69 1iec s SER 434 CO -0.12 0.30 0.10 -0.94 0.98 0.00 0.00 173.24 173.56 1iec s SER 435 N -0.94 5.98 -0.14 7.02 1.04 -1.26 -2.20 113.70 123.20 1iec s SER 435 Ca 0.24 0.23 -0.29 0.00 0.48 0.00 0.00 55.95 56.60 1iec s SER 435 Cb -0.17 -2.00 -0.02 0.00 0.10 0.00 0.00 66.02 63.93 1iec s SER 435 CO 0.13 0.24 1.28 -0.36 0.98 0.00 0.00 173.24 175.52 1iec s PHE 455 N -0.03 2.84 -0.27 5.02 0.08 -1.26 -4.99 117.98 119.38 1iec s PHE 455 Ca 0.08 0.98 -0.14 0.00 0.12 0.00 0.00 56.93 57.97 1iec s PHE 455 Cb -0.12 -3.52 -0.11 0.00 -0.57 0.00 0.00 43.02 38.70 1iec s PHE 455 CO 0.00 -1.81 -0.35 1.17 -0.10 0.00 0.00 175.22 174.13 1iec n LYS 456 N 6.40 0.57 -3.79 0.44 4.81 -0.93 -5.06 118.16 120.59 1iec n LYS 456 Ca 0.14 0.25 -0.04 0.00 -0.87 0.00 0.00 58.31 57.79 1iec n LYS 456 Cb 0.45 -1.46 -0.01 0.00 0.02 0.00 0.00 35.03 34.03 1iec n LYS 456 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1iec s ALA 457 N -2.53 -1.52 -0.11 3.14 0.00 -1.22 -4.46 121.76 115.07 1iec s ALA 457 Ca -0.37 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.55 1iec s ALA 457 Cb 0.14 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.96 1iec s ALA 457 CO 0.48 -1.04 -0.21 0.08 0.00 0.00 0.00 175.76 175.06 1iec s VAL 458 N -3.15 1.90 -0.09 0.00 1.01 -1.05 -1.57 120.40 117.45 1iec s VAL 458 Ca 0.14 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 1iec s VAL 458 Cb -0.02 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1iec s VAL 458 CO 0.04 0.52 -0.06 0.00 0.00 0.00 0.00 175.10 175.61 1iec s ALA 459 N 0.65 3.01 -0.13 5.51 0.00 -1.26 -1.74 121.76 127.80 1iec s ALA 459 Ca -0.12 -0.87 -0.21 0.00 0.00 0.00 0.00 51.96 50.76 1iec s ALA 459 Cb -0.16 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 1iec s ALA 459 CO 0.03 0.50 0.63 -0.51 0.00 0.00 0.00 175.76 176.40 1iec s LEU 460 N -0.55 4.23 0.30 0.00 1.43 0.10 -4.39 118.68 119.80 1iec s LEU 460 Ca 0.08 0.97 0.04 0.00 -1.03 0.00 0.00 54.13 54.20 1iec s LEU 460 Cb -0.12 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 1iec s LEU 460 CO 0.02 -0.17 0.21 0.00 0.23 0.00 0.00 176.35 176.65 1iec h SER 462 N 2.26 0.78 -3.44 0.00 4.64 -1.85 -0.80 113.55 115.15 1iec h SER 462 Ca -0.30 -0.32 -0.01 0.00 -0.47 0.00 0.00 61.79 60.70 1iec h SER 462 Cb 1.24 -0.22 -0.21 0.00 -0.31 0.00 0.00 62.40 62.90 1iec h SER 462 CO 0.44 1.04 0.07 0.68 -0.87 0.00 0.00 176.83 178.19 1iec s VAL 463 N -4.45 0.00 0.56 0.95 -7.23 -1.26 -3.50 120.40 105.47 1iec s VAL 463 Ca -0.09 0.00 -0.15 0.00 -1.81 0.00 0.00 61.98 59.93 1iec s VAL 463 Cb 0.12 -1.00 -0.06 0.00 0.56 0.00 0.00 36.38 36.01 1iec s VAL 463 CO 0.84 0.00 1.02 -0.83 -0.31 0.00 0.00 175.10 175.82 1iec s GLY 464 N 1.08 2.00 0.29 2.32 0.00 -1.26 -4.88 107.32 106.87 1iec s GLY 464 Ca -0.06 0.20 0.15 0.00 0.00 0.00 0.00 44.72 45.02 1iec s GLY 464 CO -0.11 0.49 1.46 3.21 0.00 0.00 0.00 173.10 178.15 1iec h ARG 465 N 0.50 0.00 -6.20 2.90 3.08 -1.99 -3.43 114.38 109.23 1iec h ARG 465 Ca -0.46 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.01 1iec h ARG 465 Cb 1.20 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.20 1iec h ARG 465 CO 0.60 0.49 -0.08 1.03 -1.07 0.00 0.00 179.97 180.94 1iec s ARG 466 N -2.99 4.10 0.42 0.04 0.52 -1.26 -5.06 118.95 114.73 1iec s ARG 466 Ca 0.04 0.63 -0.22 0.00 -0.52 0.00 0.00 55.73 55.65 1iec s ARG 466 Cb 0.08 -3.18 -0.10 0.00 0.52 0.00 0.00 34.95 32.26 1iec s ARG 466 CO 0.74 0.62 0.98 1.03 0.02 0.00 0.00 175.30 178.70 1iec s ARG 467 N -1.25 4.19 0.00 3.54 1.81 -1.26 -3.76 118.95 122.22 1iec s ARG 467 Ca 0.29 1.26 0.00 0.00 -1.72 0.00 0.00 55.73 55.56 1iec s ARG 467 Cb -0.18 -2.32 0.00 0.00 -0.45 0.00 0.00 34.95 32.00 1iec s ARG 467 CO 0.18 -0.07 0.00 0.41 -0.68 0.00 0.00 175.30 175.13 1iec n GLY 468 N -0.22 0.67 1.67 -3.53 0.00 -1.26 -4.38 105.19 98.14 1iec n GLY 468 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1iec n GLY 468 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iec n THR 469 N -2.63 2.22 -1.66 2.61 -2.24 -1.25 -4.33 114.28 107.01 1iec n THR 469 Ca 0.00 -1.07 -0.46 0.00 -2.27 0.00 0.00 64.05 60.25 1iec n THR 469 Cb 0.00 -0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 67.42 1iec n THR 469 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1iec n LEU 470 N -0.31 2.84 -4.74 3.22 7.94 -1.26 -0.64 117.00 124.05 1iec n LEU 470 Ca 0.32 1.13 -0.36 0.00 -1.11 0.00 0.00 56.01 55.99 1iec n LEU 470 Cb 1.07 -1.39 -0.07 0.00 0.53 0.00 0.00 43.42 43.56 1iec n LEU 470 CO 0.33 -0.60 -0.03 0.00 -1.11 0.00 0.00 177.39 175.98 1iec s ALA 471 N 0.04 3.61 -0.20 1.96 0.00 0.63 -4.30 121.76 123.50 1iec s ALA 471 Ca 0.70 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.21 1iec s ALA 471 Cb -0.69 -2.36 0.03 0.00 0.00 0.00 0.00 23.12 20.10 1iec s ALA 471 CO 0.49 0.13 -0.16 0.08 0.00 0.00 0.00 175.76 176.29 1iec s VAL 472 N 0.35 2.21 0.05 0.00 1.01 0.28 -4.82 120.40 119.48 1iec s VAL 472 Ca 0.16 -1.07 -0.00 0.00 0.00 0.00 0.00 61.98 61.06 1iec s VAL 472 Cb -0.13 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1iec s VAL 472 CO 0.04 0.39 0.20 -0.31 0.00 0.00 0.00 175.10 175.42 1iec s TYR 473 N 1.26 3.51 -0.08 5.22 2.02 -1.26 -0.39 117.35 127.64 1iec s TYR 473 Ca 0.02 0.26 -0.32 0.00 -0.37 0.00 0.00 57.07 56.66 1iec s TYR 473 Cb -0.15 -1.77 0.12 0.00 -0.40 0.00 0.00 41.96 39.76 1iec s TYR 473 CO -0.10 0.60 1.10 0.20 -1.57 0.00 0.00 175.55 175.77 1iec s GLY 474 N -2.42 -0.36 0.41 0.71 0.00 -0.28 -4.67 107.32 100.70 1iec s GLY 474 Ca 0.34 1.17 0.22 0.00 0.00 0.00 0.00 44.72 46.45 1iec s GLY 474 CO 0.26 0.37 1.65 3.21 0.00 0.00 0.00 173.10 178.60 1iec h ARG 475 N 2.00 0.00 -5.25 2.90 2.47 -1.85 0.11 114.38 114.76 1iec h ARG 475 Ca -0.17 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 58.02 1iec h ARG 475 Cb 1.20 0.00 -0.30 0.00 -1.65 0.00 0.00 29.97 29.22 1iec h ARG 475 CO 0.26 0.20 -0.82 0.34 0.56 0.00 0.00 179.97 180.51 1iec s ASP 476 N -6.22 1.89 0.20 7.04 -1.08 -1.26 -4.63 116.67 112.62 1iec s ASP 476 Ca 0.04 -0.30 -0.11 0.00 -0.52 0.00 0.00 52.55 51.66 1iec s ASP 476 Cb 0.07 -0.41 0.27 0.00 -1.46 0.00 0.00 42.92 41.39 1iec s ASP 476 CO 0.67 0.15 1.70 -0.65 0.52 0.00 0.00 175.17 177.57 1iec h PRO 477 N 6.10 0.23 0.12 4.34 0.11 -1.96 -2.21 132.00 138.74 1iec h PRO 477 Ca -0.34 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 1iec h PRO 477 Cb 1.17 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1iec h PRO 477 CO 0.48 0.15 -0.06 0.93 -0.21 0.00 0.00 178.00 179.30 1iec h GLU 478 N 0.24 -0.16 -0.29 1.05 4.39 -1.99 -1.89 114.58 115.92 1iec h GLU 478 Ca 0.30 0.01 0.05 0.00 0.34 0.00 0.00 59.36 60.06 1iec h GLU 478 Cb 0.44 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.08 1iec h GLU 478 CO -0.39 -0.11 -0.02 2.35 -1.16 0.00 0.00 179.01 179.68 1iec h TRP 479 N -0.17 -0.06 -0.46 4.33 7.01 -1.90 -0.61 115.95 124.10 1iec h TRP 479 Ca -0.02 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.04 1iec h TRP 479 Cb 0.13 0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 27.22 1iec h TRP 479 CO -0.07 -0.07 0.24 -0.24 -2.79 0.00 0.00 178.44 175.51 1iec h VAL 480 N 0.06 0.99 -0.22 2.65 3.04 -1.26 -1.73 116.25 119.78 1iec h VAL 480 Ca 0.14 -0.17 -0.02 0.00 -1.01 0.00 0.00 66.70 65.64 1iec h VAL 480 Cb 0.20 0.47 -0.01 0.00 -2.01 0.00 0.00 31.29 29.93 1iec h VAL 480 CO -0.26 0.09 0.05 0.74 -1.01 0.00 0.00 177.57 177.18 1iec h THR 481 N 0.48 1.11 0.00 3.17 2.02 -0.82 -1.94 112.91 116.94 1iec h THR 481 Ca 0.19 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1iec h THR 481 Cb 0.08 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1iec h THR 481 CO -0.12 0.14 0.00 0.00 0.37 0.00 0.00 175.52 175.91 1iec n GLN 482 N -4.40 0.07 0.00 6.66 1.13 -0.28 -2.75 117.38 117.81 1iec n GLN 482 Ca 0.00 0.26 0.12 0.00 -1.94 0.00 0.00 57.00 55.44 1iec n GLN 482 Cb 0.15 -1.62 0.56 0.00 0.11 0.00 0.00 30.24 29.44 1iec n GLN 482 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1iec n ARG 483 N -1.75 0.06 -3.62 -1.09 5.12 -0.73 -4.64 116.66 110.00 1iec n ARG 483 Ca 0.04 0.06 -0.40 0.00 -1.93 0.00 0.00 57.85 55.62 1iec n ARG 483 Cb 0.23 -1.50 -0.11 0.00 -1.16 0.00 0.00 32.46 29.92 1iec n ARG 483 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1iec s PHE 484 N -2.94 3.31 0.58 -1.55 0.40 -1.11 -4.32 117.98 112.36 1iec s PHE 484 Ca 0.14 -1.41 0.28 0.00 -0.60 0.00 0.00 56.93 55.34 1iec s PHE 484 Cb 0.17 -2.76 1.70 0.00 0.51 0.00 0.00 43.02 42.63 1iec s PHE 484 CO 0.45 -0.79 2.17 -1.35 0.70 0.00 0.00 175.22 176.39 1iec h PRO 485 N 8.38 0.00 0.00 0.24 0.11 -1.82 -2.52 132.00 136.39 1iec h PRO 485 Ca -0.23 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.86 1iec h PRO 485 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1iec h PRO 485 CO 0.72 0.00 -0.09 -0.44 -0.21 0.00 0.00 178.00 177.98 1iec h ASP 486 N 0.00 0.00 -3.44 -2.05 3.32 -1.94 -3.44 116.42 108.88 1iec h ASP 486 Ca 0.05 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.57 1iec h ASP 486 Cb 0.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1iec h ASP 486 CO -0.00 0.09 0.40 -0.76 -1.72 0.00 0.00 179.24 177.24 1iec s LEU 487 N -6.36 4.41 0.56 1.55 1.43 -0.95 -4.95 118.68 114.37 1iec s LEU 487 Ca 0.02 1.77 0.01 0.00 -1.03 0.00 0.00 54.13 54.90 1iec s LEU 487 Cb 0.08 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.76 1iec s LEU 487 CO 0.61 -0.23 0.79 0.42 0.23 0.00 0.00 176.35 178.17 1iec s THR 488 N 0.65 2.68 0.39 5.49 -4.23 -1.26 -4.91 115.64 114.45 1iec s THR 488 Ca 0.51 -0.64 0.08 0.00 -1.18 0.00 0.00 61.69 60.47 1iec s THR 488 Cb -0.23 -3.01 0.30 0.00 1.34 0.00 0.00 72.50 70.89 1iec s THR 488 CO 0.29 -0.01 1.98 0.00 -0.54 0.00 0.00 174.62 176.34 1iec h ALA 489 N 0.04 1.79 -0.36 3.99 0.00 -1.99 -0.40 119.26 122.32 1iec h ALA 489 Ca -0.42 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1iec h ALA 489 Cb 1.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1iec h ALA 489 CO 0.53 0.11 0.01 0.00 0.00 0.00 0.00 179.25 179.89 1iec h ALA 490 N 1.65 0.48 0.04 0.00 0.00 -1.99 -1.54 119.26 117.91 1iec h ALA 490 Ca 0.28 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1iec h ALA 490 Cb 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1iec h ALA 490 CO -0.08 0.24 -0.09 -0.44 0.00 0.00 0.00 179.25 178.87 1iec h ASP 491 N 0.44 -0.26 -0.78 0.00 3.45 -1.49 -2.41 116.42 115.36 1iec h ASP 491 Ca 0.10 0.03 0.01 0.00 0.43 0.00 0.00 57.03 57.61 1iec h ASP 491 Cb 0.45 0.10 -0.04 0.00 -0.56 0.00 0.00 39.33 39.28 1iec h ASP 491 CO 0.02 -0.14 0.52 0.03 -1.57 0.00 0.00 179.24 178.09 1iec h ARG 492 N -0.18 1.02 -0.73 3.56 3.08 -1.15 -1.44 114.38 118.53 1iec h ARG 492 Ca 0.02 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.08 1iec h ARG 492 Cb 0.21 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 1iec h ARG 492 CO -0.07 0.67 0.48 -0.44 -1.07 0.00 0.00 179.97 179.55 1iec h ASP 493 N 1.05 0.64 -0.09 7.04 3.32 -1.05 0.42 116.42 127.75 1iec h ASP 493 Ca 0.29 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1iec h ASP 493 Cb -0.10 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 1iec h ASP 493 CO -0.07 0.41 -0.00 1.23 -1.72 0.00 0.00 179.24 179.08 1iec h GLY 494 N 0.73 0.17 0.92 2.75 0.00 -0.79 -2.17 103.07 104.67 1iec h GLY 494 Ca 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1iec h GLY 494 CO -0.11 0.12 0.09 1.41 0.00 0.00 0.00 176.54 178.05 1iec h LEU 495 N -0.14 0.24 -0.39 3.11 3.38 -0.63 -3.01 115.31 117.87 1iec h LEU 495 Ca 0.02 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.95 1iec h LEU 495 Cb 0.36 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 1iec h LEU 495 CO 0.01 0.29 -0.04 -0.09 0.09 0.00 0.00 178.44 178.70 1iec h ARG 496 N 0.17 0.06 -0.83 1.13 2.43 -0.20 0.28 114.38 117.42 1iec h ARG 496 Ca 0.06 -0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.39 1iec h ARG 496 Cb 0.11 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.59 1iec h ARG 496 CO -0.01 0.04 0.55 0.00 -1.51 0.00 0.00 179.97 179.04 1iec h ALA 497 N 1.36 2.05 0.07 2.80 0.00 -1.31 -0.89 119.26 123.35 1iec h ALA 497 Ca 0.19 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1iec h ALA 497 Cb 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1iec h ALA 497 CO -0.35 -0.29 -0.04 1.96 0.00 0.00 0.00 179.25 180.53 1iec h GLN 498 N 0.49 -0.10 0.00 0.00 4.20 -0.85 -3.18 115.11 115.68 1iec h GLN 498 Ca 0.42 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.10 1iec h GLN 498 Cb 0.89 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.69 1iec h GLN 498 CO -0.16 0.42 -0.16 0.11 -0.67 0.00 0.00 178.83 178.37 1iec h TRP 499 N -0.69 0.00 0.00 2.96 5.08 -0.99 -2.61 115.95 119.70 1iec h TRP 499 Ca -0.01 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.96 1iec h TRP 499 Cb 0.56 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.72 1iec h TRP 499 CO 0.11 0.16 0.00 1.96 -1.28 0.00 0.00 178.44 179.39 1iec h GLN 500 N 0.00 0.00 -0.27 0.12 4.20 -1.28 -3.51 115.11 114.38 1iec h GLN 500 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1iec h GLN 500 Cb 0.85 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1iec h GLN 500 CO 0.02 0.00 0.00 -2.13 -0.67 0.00 0.00 178.83 176.05 1iec n ARG 501 N -2.47 0.81 -1.24 1.46 0.63 -0.99 -5.10 116.66 109.77 1iec n ARG 501 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 1iec n ARG 501 Cb 0.39 -1.13 0.00 0.00 0.45 0.00 0.00 32.46 32.16 1iec n ARG 501 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1iec n SER 504 N -0.30 -1.37 -4.93 6.15 7.64 -1.26 -5.01 113.62 114.53 1iec n SER 504 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 1iec n SER 504 Cb 0.07 -0.34 -0.02 0.00 -1.01 0.00 0.00 64.21 62.90 1iec n SER 504 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1iec s THR 505 N -2.50 4.08 -1.01 0.44 -4.23 -1.26 -5.01 115.64 106.15 1iec s THR 505 Ca 0.00 -1.15 0.28 0.00 -1.18 0.00 0.00 61.69 59.64 1iec s THR 505 Cb 0.00 -3.39 0.24 0.00 1.34 0.00 0.00 72.50 70.68 1iec s THR 505 CO 0.00 -0.20 1.89 0.00 -0.54 0.00 0.00 174.62 175.77 1iec n ALA 506 N -1.49 2.27 -0.12 3.99 0.00 -1.26 -3.32 120.51 120.58 1iec n ALA 506 Ca -0.02 -0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.22 1iec n ALA 506 Cb 0.58 -1.45 0.03 0.00 0.00 0.00 0.00 19.45 18.62 1iec n ALA 506 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1iec h VAL 507 N 0.00 1.27 -3.37 0.00 2.07 -1.94 -3.50 116.25 110.78 1iec h VAL 507 Ca 0.00 -1.41 -0.54 0.00 0.82 0.00 0.00 66.70 65.57 1iec h VAL 507 Cb 0.47 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1iec h VAL 507 CO 0.00 0.48 -0.13 -1.81 0.02 0.00 0.00 177.57 176.13 1iec s ASP 508 N -6.76 6.57 0.07 0.57 -0.00 -1.21 -4.51 116.67 111.40 1iec s ASP 508 Ca -0.10 0.85 0.00 0.00 -0.00 0.00 0.00 52.55 53.30 1iec s ASP 508 Cb 0.12 -2.20 0.00 0.00 -0.00 0.00 0.00 42.92 40.85 1iec s ASP 508 CO 0.86 -0.10 0.00 0.61 -0.00 0.00 0.00 175.17 176.54 1iec n GLY 511 N -0.34 0.00 3.65 0.21 0.00 -1.26 -4.97 105.19 102.49 1iec n GLY 511 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 1iec n GLY 511 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iec n ASP 512 N 0.45 3.66 -0.02 1.61 -0.08 -1.26 -4.86 116.55 116.04 1iec n ASP 512 Ca 0.00 0.82 0.15 0.00 -1.51 0.00 0.00 54.79 54.25 1iec n ASP 512 Cb 0.00 -1.45 0.75 0.00 2.34 0.00 0.00 41.12 42.76 1iec n ASP 512 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1iec n PRO 513 N 7.35 0.53 -2.56 -0.67 -0.04 -1.26 -4.82 135.00 133.54 1iec n PRO 513 Ca 0.23 -0.04 -0.43 0.00 -0.04 0.00 0.00 63.50 63.22 1iec n PRO 513 Cb 0.36 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.30 1iec n PRO 513 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1iec s PHE 514 N -2.50 3.06 -0.34 0.54 2.19 -0.97 -4.15 117.98 115.81 1iec s PHE 514 Ca 0.31 1.18 0.06 0.00 0.33 0.00 0.00 56.93 58.80 1iec s PHE 514 Cb 0.20 -3.55 0.46 0.00 -1.31 0.00 0.00 43.02 38.82 1iec s PHE 514 CO 0.46 -1.07 1.28 0.54 1.83 0.00 0.00 175.22 178.26 1iec n ARG 515 N 6.71 3.51 -0.26 10.12 1.74 -0.43 -4.97 116.66 133.08 1iec n ARG 515 Ca 0.13 -4.09 0.00 0.00 -0.77 0.00 0.00 57.85 53.12 1iec n ARG 515 Cb 0.46 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.62 1iec n ARG 515 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1iec n SER 516 N -0.72 0.55 -2.09 0.55 2.88 -0.77 -4.76 113.62 109.26 1iec n SER 516 Ca 0.46 -0.13 -0.06 0.00 -1.33 0.00 0.00 58.87 57.80 1iec n SER 516 Cb 0.92 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.38 1iec n SER 516 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1iec n ASP 517 N -0.32 -1.19 -0.31 -3.46 5.68 -1.26 -5.01 116.55 110.68 1iec n ASP 517 Ca 0.00 -2.00 -0.00 0.00 -0.50 0.00 0.00 54.79 52.29 1iec n ASP 517 Cb 0.00 2.03 0.13 0.00 -1.14 0.00 0.00 41.12 42.14 1iec n ASP 517 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1iec h SER 518 N 1.17 0.88 -0.82 -1.12 4.64 -1.98 -0.43 113.55 115.88 1iec h SER 518 Ca -0.19 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.15 1iec h SER 518 Cb 0.72 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.59 1iec h SER 518 CO 0.24 0.58 0.54 1.88 -0.87 0.00 0.00 176.83 179.21 1iec h TYR 519 N 1.02 1.02 -0.08 4.77 0.05 -1.98 0.20 116.97 121.97 1iec h TYR 519 Ca 0.36 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 59.16 1iec h TYR 519 Cb 0.10 -0.35 -0.00 0.00 1.01 0.00 0.00 36.73 37.49 1iec h TYR 519 CO -0.03 0.64 0.03 0.78 -1.05 0.00 0.00 178.16 178.53 1iec h GLY 520 N 1.10 0.13 1.43 3.88 0.00 -1.50 0.12 103.07 108.22 1iec h GLY 520 Ca 0.31 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.50 1iec h GLY 520 CO -0.07 0.07 -0.01 1.41 0.00 0.00 0.00 176.54 177.93 1iec h LEU 521 N -0.03 0.67 -0.43 3.11 3.38 -0.80 -2.10 115.31 119.10 1iec h LEU 521 Ca 0.03 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1iec h LEU 521 Cb 0.17 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1iec h LEU 521 CO -0.00 0.75 0.03 0.25 0.09 0.00 0.00 178.44 179.56 1iec h LEU 522 N 0.66 0.72 -0.70 1.67 5.85 -0.41 -1.33 115.31 121.77 1iec h LEU 522 Ca 0.13 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.60 1iec h LEU 522 Cb 0.43 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1iec h LEU 522 CO 0.02 0.83 0.44 1.23 -0.34 0.00 0.00 178.44 180.61 1iec h GLY 523 N 0.59 1.02 2.00 3.75 0.00 -0.69 -2.17 103.07 107.56 1iec h GLY 523 Ca 0.13 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 1iec h GLY 523 CO 0.02 0.28 -0.33 -0.57 0.00 0.00 0.00 176.54 175.93 1iec h ASN 524 N 0.86 0.00 0.36 0.19 -1.24 -1.08 -3.10 115.58 111.56 1iec h ASN 524 Ca 0.28 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.26 1iec h ASN 524 Cb 0.03 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.07 1iec h ASN 524 CO -0.11 0.33 -0.16 0.77 -1.29 0.00 0.00 177.43 176.97 1iec h SER 525 N 0.00 0.00 0.84 1.15 4.64 -0.57 -2.04 113.55 117.57 1iec h SER 525 Ca -0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.13 1iec h SER 525 Cb 0.60 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 1iec h SER 525 CO 0.04 0.16 -0.87 1.62 -0.87 0.00 0.00 176.83 176.91 1iec h VAL 526 N 0.00 1.61 -0.87 0.95 3.04 -1.56 -3.14 116.25 116.28 1iec h VAL 526 Ca -0.00 -2.93 -0.03 0.00 -1.01 0.00 0.00 66.70 62.73 1iec h VAL 526 Cb 0.38 2.59 -0.04 0.00 -2.01 0.00 0.00 31.29 32.21 1iec h VAL 526 CO 0.02 0.84 0.43 0.44 -1.01 0.00 0.00 177.57 178.29 1iec h ASP 527 N 0.01 1.12 0.33 3.17 3.45 -1.49 -2.64 116.42 120.38 1iec h ASP 527 Ca -0.01 -0.13 -0.07 0.00 0.43 0.00 0.00 57.03 57.25 1iec h ASP 527 Cb 1.53 -0.29 -0.01 0.00 -0.56 0.00 0.00 39.33 40.00 1iec h ASP 527 CO 0.11 0.93 -0.34 0.00 -1.57 0.00 0.00 179.24 178.37 1iec h ALA 528 N 1.24 1.41 0.00 3.45 0.00 -1.48 -2.76 119.26 121.13 1iec h ALA 528 Ca 0.30 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1iec h ALA 528 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1iec h ALA 528 CO -0.04 0.44 0.00 -0.07 0.00 0.00 0.00 179.25 179.58 1iec h LEU 529 N 0.02 0.00 -3.01 0.00 3.38 -1.43 -2.82 115.31 111.45 1iec h LEU 529 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iec h LEU 529 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1iec h LEU 529 CO 0.05 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.36 1iec n TYR 530 N -2.51 0.48 -2.64 1.13 4.01 -1.04 -4.96 117.16 111.64 1iec n TYR 530 Ca -0.00 -0.63 -0.43 0.00 -0.16 0.00 0.00 57.90 56.68 1iec n TYR 530 Cb 0.13 -0.11 -0.02 0.00 -0.31 0.00 0.00 39.34 39.03 1iec n TYR 530 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1iec s ILE 531 N -1.60 4.66 0.36 -0.72 1.01 -1.07 -4.98 121.20 118.86 1iec s ILE 531 Ca 0.25 1.95 -0.28 0.00 0.00 0.00 0.00 60.65 62.57 1iec s ILE 531 Cb 0.17 -4.25 -0.11 0.00 0.01 0.00 0.00 42.46 38.28 1iec s ILE 531 CO 0.11 -0.04 1.41 -0.60 0.00 0.00 0.00 174.94 175.82 1iec s ARG 532 N 2.32 4.21 -1.64 2.79 6.06 -1.26 -3.25 118.95 128.18 1iec s ARG 532 Ca 0.49 2.41 -0.16 0.00 -2.50 0.00 0.00 55.73 55.97 1iec s ARG 532 Cb -0.19 -3.01 0.13 0.00 0.06 0.00 0.00 34.95 31.94 1iec s ARG 532 CO 0.16 -0.39 0.83 0.39 -2.50 0.00 0.00 175.30 173.80 1iec n GLU 533 N 0.59 -3.89 0.23 5.12 -0.58 -1.26 -4.88 120.64 115.98 1iec n GLU 533 Ca 0.01 0.44 -0.15 0.00 -0.42 0.00 0.00 57.16 57.03 1iec n GLU 533 Cb 0.40 -5.19 -0.08 0.00 -0.57 0.00 0.00 31.44 26.01 1iec n GLU 533 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1iec h ARG 534 N -1.69 -0.58 -0.24 3.49 2.43 -1.94 -2.04 114.38 113.81 1iec h ARG 534 Ca -0.59 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.60 1iec h ARG 534 Cb 1.38 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 31.05 1iec h ARG 534 CO 0.74 -0.39 0.08 -0.07 -1.51 0.00 0.00 179.97 178.82 1iec h LEU 535 N -0.61 0.34 -0.58 3.80 3.38 -1.90 -1.87 115.31 117.89 1iec h LEU 535 Ca -0.04 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.79 1iec h LEU 535 Cb 0.50 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1iec h LEU 535 CO 0.04 0.45 0.30 -0.65 0.09 0.00 0.00 178.44 178.67 1iec h PRO 536 N 0.22 0.55 -0.61 1.13 0.11 -1.95 0.67 132.00 132.12 1iec h PRO 536 Ca 0.08 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.18 1iec h PRO 536 Cb 0.22 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.17 1iec h PRO 536 CO -0.00 0.37 0.37 0.87 -0.21 0.00 0.00 178.00 179.40 1iec h LYS 537 N 0.57 0.72 -0.57 1.05 1.57 -1.27 0.58 116.57 119.21 1iec h LYS 537 Ca 0.26 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1iec h LYS 537 Cb 0.17 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1iec h LYS 537 CO -0.18 0.48 0.07 -0.07 -0.57 0.00 0.00 179.45 179.18 1iec h LEU 538 N 0.74 0.88 -0.51 2.94 4.07 -0.65 0.44 115.31 123.22 1iec h LEU 538 Ca 0.24 -0.20 -0.16 0.00 0.08 0.00 0.00 57.88 57.84 1iec h LEU 538 Cb 0.01 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 1iec h LEU 538 CO -0.10 0.90 -0.59 0.03 -1.08 0.00 0.00 178.44 177.61 1iec h ARG 539 N 0.87 0.50 -0.58 1.13 3.08 -0.39 -1.47 114.38 117.53 1iec h ARG 539 Ca 0.18 -0.33 -0.08 0.00 0.07 0.00 0.00 59.98 59.81 1iec h ARG 539 Cb 0.41 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1iec h ARG 539 CO 0.01 0.94 0.04 -0.92 -1.07 0.00 0.00 179.97 178.97 1iec h TYR 540 N 0.38 1.08 -0.11 3.04 3.20 -0.52 -2.48 116.97 121.56 1iec h TYR 540 Ca -0.00 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.69 1iec h TYR 540 Cb 1.13 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 39.11 1iec h TYR 540 CO 0.04 0.96 0.06 -0.44 -1.64 0.00 0.00 178.16 177.13 1iec h ASP 541 N 0.89 0.14 -0.98 -2.11 3.32 -0.70 -1.09 116.42 115.89 1iec h ASP 541 Ca 0.17 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.17 1iec h ASP 541 Cb 0.50 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.96 1iec h ASP 541 CO 0.02 0.19 0.64 0.50 -1.72 0.00 0.00 179.24 178.88 1iec h LYS 542 N 0.07 1.18 -0.05 3.56 3.64 -1.19 -1.60 116.57 122.18 1iec h LYS 542 Ca 0.04 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.14 1iec h LYS 542 Cb 0.09 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1iec h LYS 542 CO -0.01 0.78 -0.82 0.37 -2.27 0.00 0.00 179.45 177.50 1iec h GLN 543 N 1.22 0.41 -0.65 1.90 4.15 -1.33 -1.74 115.11 119.07 1iec h GLN 543 Ca 0.40 -0.38 -0.06 0.00 0.77 0.00 0.00 58.65 59.38 1iec h GLN 543 Cb 0.05 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 1iec h GLN 543 CO -0.13 1.03 0.19 1.25 -1.93 0.00 0.00 178.83 179.24 1iec h LEU 544 N 0.26 0.96 -1.45 -2.39 5.85 -0.62 -2.84 115.31 115.09 1iec h LEU 544 Ca -0.05 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1iec h LEU 544 Cb 1.43 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1iec h LEU 544 CO 0.14 0.92 0.00 1.33 -0.34 0.00 0.00 178.44 180.50 1iec n VAL 545 N -4.33 0.21 -1.22 1.05 0.24 -0.66 -4.95 118.33 108.68 1iec n VAL 545 Ca 0.04 -0.44 -0.07 0.00 -2.04 0.00 0.00 64.34 61.83 1iec n VAL 545 Cb 0.23 0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 33.23 1iec n VAL 545 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iec n GLY 546 N 1.25 0.92 0.12 7.63 0.00 -0.91 -4.17 105.19 110.03 1iec n GLY 546 Ca 0.17 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 45.90 1iec n GLY 546 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1iec n VAL 547 N -2.65 0.87 0.08 1.61 0.31 -0.70 -1.07 118.33 116.78 1iec n VAL 547 Ca -0.07 0.27 -0.05 0.00 -0.01 0.00 0.00 64.34 64.48 1iec n VAL 547 Cb 0.31 -1.19 0.14 0.00 -0.91 0.00 0.00 33.84 32.19 1iec n VAL 547 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1iec h THR 548 N 0.00 1.36 0.00 2.52 1.35 -1.88 -2.77 112.91 113.50 1iec h THR 548 Ca 0.00 -1.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.01 1iec h THR 548 Cb 0.32 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1iec h THR 548 CO 0.00 0.55 0.00 -0.62 -0.25 0.00 0.00 175.52 175.20 1iec n GLU 549 N -3.92 0.00 -4.69 4.72 1.02 -0.23 -4.78 120.64 112.76 1iec n GLU 549 Ca -0.02 0.14 -0.31 0.00 -0.02 0.00 0.00 57.16 56.96 1iec n GLU 549 Cb 0.58 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.41 1iec n GLU 549 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1iec s ARG 550 N -3.00 2.08 -0.12 3.49 6.06 -1.04 -5.12 118.95 121.30 1iec s ARG 550 Ca 0.10 -2.26 -0.02 0.00 -2.50 0.00 0.00 55.73 51.05 1iec s ARG 550 Cb 0.14 -1.57 -0.03 0.00 0.06 0.00 0.00 34.95 33.55 1iec s ARG 550 CO 0.38 -0.22 -0.04 -1.21 -2.50 0.00 0.00 175.30 171.71 1iec s GLU 551 N -3.80 3.32 0.19 5.12 2.02 -1.26 -4.93 118.70 119.35 1iec s GLU 551 Ca 0.19 -0.52 -0.03 0.00 0.02 0.00 0.00 54.97 54.64 1iec s GLU 551 Cb 0.06 -2.80 0.01 0.00 0.10 0.00 0.00 34.13 31.50 1iec s GLU 551 CO 0.10 0.42 0.30 -1.13 0.02 0.00 0.00 175.26 174.97 1iec n SER 552 N 2.99 -0.85 -0.57 -0.19 3.41 -1.26 -5.00 113.62 112.15 1iec n SER 552 Ca -0.18 -1.91 0.10 0.00 -0.26 0.00 0.00 58.87 56.62 1iec n SER 552 Cb 0.53 1.51 0.34 0.00 -0.26 0.00 0.00 64.21 66.32 1iec n SER 552 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1iec n TYR 553 N -0.29 0.26 -1.72 7.33 4.01 -1.26 -4.61 117.16 120.87 1iec n TYR 553 Ca -0.01 -0.13 -0.42 0.00 -0.16 0.00 0.00 57.90 57.17 1iec n TYR 553 Cb 0.30 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.30 1iec n TYR 553 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1iec n VAL 554 N 0.36 0.52 0.05 -0.72 0.31 -1.26 -4.77 118.33 112.82 1iec n VAL 554 Ca 0.15 -0.13 0.09 0.00 -0.01 0.00 0.00 64.34 64.45 1iec n VAL 554 Cb 0.33 -1.91 -0.07 0.00 -0.91 0.00 0.00 33.84 31.27 1iec n VAL 554 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1iec n LYS 555 N 3.00 0.63 0.00 5.55 4.76 -1.26 -5.02 118.16 125.81 1iec n LYS 555 Ca 0.12 0.03 0.08 0.00 -2.87 0.00 0.00 58.31 55.67 1iec n LYS 555 Cb 0.35 -1.72 0.48 0.00 -1.84 0.00 0.00 35.03 32.30 1iec n LYS 555 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03