#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ied h GLU 305 N 0.00 0.44 0.00 -0.67 4.81 -2.06 0.76 114.58 117.85 1ied h GLU 305 Ca 0.00 -0.14 -0.12 0.00 -0.13 0.00 0.00 59.36 58.97 1ied h GLU 305 Cb 0.00 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1ied h GLU 305 CO 0.00 0.60 -0.58 0.37 -0.73 0.00 0.00 179.01 178.68 1ied h GLN 306 N 0.22 0.00 0.00 1.92 -0.00 -2.06 -2.71 115.11 112.47 1ied h GLN 306 Ca 0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.68 1ied h GLN 306 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.88 1ied h GLN 306 CO 0.01 0.58 -0.18 1.96 0.00 0.00 0.00 178.83 181.20 1ied h GLN 307 N 0.00 0.00 -0.49 1.69 4.20 -1.94 -3.13 115.11 115.44 1ied h GLN 307 Ca -0.01 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 1ied h GLN 307 Cb 1.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 1ied h GLN 307 CO 0.07 0.18 -0.21 1.03 -0.67 0.00 0.00 178.83 179.23 1ied h SER 308 N 0.00 1.03 -0.14 1.46 0.87 0.86 -2.89 113.55 114.75 1ied h SER 308 Ca -0.00 -0.39 -0.11 0.00 -1.23 0.00 0.00 61.79 60.06 1ied h SER 308 Cb 1.07 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 1ied h SER 308 CO 0.02 1.20 -0.27 1.56 -0.53 0.00 0.00 176.83 178.81 1ied h GLN 309 N 0.87 0.60 -0.92 2.24 4.20 -1.51 -2.98 115.11 117.62 1ied h GLN 309 Ca 0.11 -0.25 0.10 0.00 0.06 0.00 0.00 58.65 58.68 1ied h GLN 309 Cb 0.79 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.47 1ied h GLN 309 CO 0.07 0.81 0.56 0.00 -0.67 0.00 0.00 178.83 179.60 1ied h ALA 310 N 1.18 1.34 -0.42 3.87 0.00 -1.46 -1.72 119.26 122.05 1ied h ALA 310 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ied h ALA 310 Cb 0.74 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ied h ALA 310 CO 0.06 0.19 0.00 1.33 0.00 0.00 0.00 179.25 180.83 1ied n VAL 311 N -4.67 1.67 -1.04 0.00 0.24 -1.13 -4.75 118.33 108.65 1ied n VAL 311 Ca 0.16 -0.91 -0.29 0.00 -2.04 0.00 0.00 64.34 61.27 1ied n VAL 311 Cb 0.30 -0.22 0.20 0.00 -1.47 0.00 0.00 33.84 32.65 1ied n VAL 311 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ied s ALA 312 N -2.05 0.57 0.69 2.33 0.00 -0.65 -4.95 121.76 117.71 1ied s ALA 312 Ca 0.37 -0.44 -0.16 0.00 0.00 0.00 0.00 51.96 51.73 1ied s ALA 312 Cb 0.27 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 20.31 1ied s ALA 312 CO 0.13 -3.19 1.21 -2.14 0.00 0.00 0.00 175.76 171.77 1ied s PRO 313 N -4.95 2.39 -0.10 0.00 0.02 -1.26 -5.00 135.00 126.10 1ied s PRO 313 Ca 0.67 1.76 0.02 0.00 0.02 0.00 0.00 61.00 63.47 1ied s PRO 313 Cb -0.18 -1.86 0.01 0.00 0.02 0.00 0.00 34.50 32.49 1ied s PRO 313 CO 0.59 -1.64 -0.14 0.08 -0.33 0.00 0.00 177.00 175.55 1ied s VAL 314 N -1.89 1.42 0.14 3.83 1.01 -0.67 -4.79 120.40 119.45 1ied s VAL 314 Ca 0.75 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 1ied s VAL 314 Cb -0.29 -1.31 -0.06 0.00 0.00 0.00 0.00 36.38 34.72 1ied s VAL 314 CO 0.42 0.43 0.44 -0.31 0.00 0.00 0.00 175.10 176.08 1ied s TYR 315 N 0.96 3.51 -0.02 5.22 1.51 -0.26 1.00 117.35 129.27 1ied s TYR 315 Ca -0.08 0.75 0.01 0.00 -1.01 0.00 0.00 57.07 56.75 1ied s TYR 315 Cb -0.15 -2.15 0.01 0.00 -0.11 0.00 0.00 41.96 39.56 1ied s TYR 315 CO -0.01 0.42 -0.03 0.54 -1.11 0.00 0.00 175.55 175.36 1ied s VAL 316 N -1.59 0.34 0.06 0.71 0.11 0.18 -1.61 120.40 118.60 1ied s VAL 316 Ca 0.39 -0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.35 1ied s VAL 316 Cb -0.13 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.34 1ied s VAL 316 CO 0.21 0.14 -0.05 -0.83 -3.33 0.00 0.00 175.10 171.23 1ied s GLY 317 N 0.40 0.56 0.00 6.54 0.00 -0.13 0.14 107.32 114.82 1ied s GLY 317 Ca -0.04 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.60 1ied s GLY 317 CO -0.01 -1.16 0.00 0.61 0.00 0.00 0.00 173.10 172.54 1ied n GLY 318 N 0.58 1.68 3.76 0.20 0.00 -0.33 -1.06 105.19 110.02 1ied n GLY 318 Ca -0.17 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 1ied n GLY 318 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ied s PHE 319 N -2.00 3.93 -0.17 1.61 0.40 -1.26 -0.71 117.98 119.78 1ied s PHE 319 Ca 0.00 1.74 0.21 0.00 -0.60 0.00 0.00 56.93 58.28 1ied s PHE 319 Cb 0.00 -2.85 -0.10 0.00 0.51 0.00 0.00 43.02 40.58 1ied s PHE 319 CO 0.00 0.48 0.86 1.28 0.70 0.00 0.00 175.22 178.54 1ied n LEU 320 N 1.64 0.67 -3.57 -0.37 4.77 0.14 -4.12 117.00 116.17 1ied n LEU 320 Ca -0.04 0.27 -0.16 0.00 -0.03 0.00 0.00 56.01 56.04 1ied n LEU 320 Cb 0.48 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1ied n LEU 320 CO 0.48 -0.07 0.43 0.00 -1.33 0.00 0.00 177.39 176.89 1ied s ALA 321 N -3.28 -1.76 -0.24 -1.18 0.00 -1.22 -4.64 121.76 109.44 1ied s ALA 321 Ca -0.03 1.59 -0.00 0.00 0.00 0.00 0.00 51.96 53.52 1ied s ALA 321 Cb 0.10 -0.47 0.03 0.00 0.00 0.00 0.00 23.12 22.79 1ied s ALA 321 CO 0.82 -0.36 -0.10 1.03 0.00 0.00 0.00 175.76 177.15 1ied s ARG 322 N -0.57 2.76 0.63 0.00 1.81 -1.26 -1.04 118.95 121.29 1ied s ARG 322 Ca -0.07 -1.01 0.37 0.00 -1.72 0.00 0.00 55.73 53.31 1ied s ARG 322 Cb -0.02 -2.88 2.14 0.00 -0.45 0.00 0.00 34.95 33.74 1ied s ARG 322 CO 0.06 -0.39 2.32 1.88 -0.68 0.00 0.00 175.30 178.49 1ied h TYR 323 N 7.95 0.00 -0.01 -0.53 0.05 -1.67 -0.90 116.97 121.87 1ied h TYR 323 Ca -0.33 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.45 1ied h TYR 323 Cb 1.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.84 1ied h TYR 323 CO 0.57 0.00 -0.00 -0.40 -1.05 0.00 0.00 178.16 177.27 1ied n ASP 324 N -3.46 0.85 -4.48 3.88 5.75 -1.26 -4.80 116.55 113.04 1ied n ASP 324 Ca -0.03 -1.27 -0.37 0.00 -0.01 0.00 0.00 54.79 53.12 1ied n ASP 324 Cb 0.08 -0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.05 1ied n ASP 324 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1ied s GLN 325 N -2.02 3.72 -0.44 0.11 -1.52 -0.34 -5.07 119.66 114.11 1ied s GLN 325 Ca 0.42 -0.44 -0.16 0.00 -1.95 0.00 0.00 55.36 53.23 1ied s GLN 325 Cb 0.21 -3.39 0.04 0.00 -0.22 0.00 0.00 33.01 29.66 1ied s GLN 325 CO 0.35 -0.17 0.36 0.45 -0.25 0.00 0.00 175.29 176.04 1ied s SER 326 N 1.60 6.14 0.45 5.90 0.15 -1.26 -4.90 113.70 121.78 1ied s SER 326 Ca 0.06 -1.02 -0.21 0.00 0.70 0.00 0.00 55.95 55.49 1ied s SER 326 Cb -0.15 -2.18 -0.10 0.00 -1.71 0.00 0.00 66.02 61.88 1ied s SER 326 CO 0.05 -0.55 0.98 -2.16 1.20 0.00 0.00 173.24 172.76 1ied s PRO 327 N 1.77 4.08 0.21 5.44 0.04 -1.26 -4.97 135.00 140.30 1ied s PRO 327 Ca 0.06 1.19 -0.02 0.00 0.04 0.00 0.00 61.00 62.27 1ied s PRO 327 Cb -0.21 -2.15 0.18 0.00 0.04 0.00 0.00 34.50 32.36 1ied s PRO 327 CO 0.09 -0.17 1.56 -0.44 0.04 0.00 0.00 177.00 178.08 1ied h ASP 328 N 1.75 0.60 -3.39 6.66 3.45 -1.99 -3.43 116.42 120.07 1ied h ASP 328 Ca -0.49 -0.29 -0.59 0.00 0.43 0.00 0.00 57.03 56.09 1ied h ASP 328 Cb 1.19 -0.17 -0.09 0.00 -0.56 0.00 0.00 39.33 39.70 1ied h ASP 328 CO 0.60 0.97 0.19 -1.61 -1.57 0.00 0.00 179.24 177.82 1ied s GLU 329 N -4.14 4.22 0.35 3.56 2.02 -1.26 -4.96 118.70 118.49 1ied s GLU 329 Ca -0.07 0.70 0.05 0.00 0.02 0.00 0.00 54.97 55.67 1ied s GLU 329 Cb 0.12 -3.58 0.71 0.00 0.10 0.00 0.00 34.13 31.47 1ied s GLU 329 CO 0.83 -0.28 1.94 0.00 0.02 0.00 0.00 175.26 177.77 1ied h ALA 330 N 7.48 1.68 -0.24 5.21 0.00 -2.01 -2.31 119.26 129.07 1ied h ALA 330 Ca -0.30 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.66 1ied h ALA 330 Cb 1.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1ied h ALA 330 CO 0.79 0.19 0.32 1.05 0.00 0.00 0.00 179.25 181.59 1ied h GLU 331 N 0.81 0.00 -0.16 0.00 4.11 -1.97 -0.72 114.58 116.65 1ied h GLU 331 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.78 1ied h GLU 331 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1ied h GLU 331 CO -0.13 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.23 1ied n LEU 332 N -3.60 2.16 -4.74 3.06 4.77 -0.87 -4.93 117.00 112.85 1ied n LEU 332 Ca 0.03 -0.85 -0.41 0.00 -0.03 0.00 0.00 56.01 54.75 1ied n LEU 332 Cb 0.45 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 1ied n LEU 332 CO 0.25 0.43 1.05 -0.76 -1.33 0.00 0.00 177.39 177.02 1ied s LEU 333 N -1.70 4.40 -0.45 2.23 1.43 -0.28 -4.94 118.68 119.38 1ied s LEU 333 Ca 0.34 2.50 0.06 0.00 -1.03 0.00 0.00 54.13 56.00 1ied s LEU 333 Cb 0.20 -3.61 0.18 0.00 0.03 0.00 0.00 46.19 42.98 1ied s LEU 333 CO 0.29 -0.62 0.56 -0.22 0.23 0.00 0.00 176.35 176.60 1ied s LEU 334 N -0.02 -0.59 0.67 1.79 2.96 -1.26 -5.13 118.68 117.11 1ied s LEU 334 Ca 0.59 -1.82 -0.14 0.00 -0.22 0.00 0.00 54.13 52.54 1ied s LEU 334 Cb -0.39 1.15 0.01 0.00 0.50 0.00 0.00 46.19 47.46 1ied s LEU 334 CO 0.39 -0.14 1.10 -2.84 -1.32 0.00 0.00 176.35 173.54 1ied s PRO 335 N 0.98 2.77 0.24 0.98 0.02 -1.26 -4.84 135.00 133.89 1ied s PRO 335 Ca 0.25 1.30 -0.05 0.00 0.02 0.00 0.00 61.00 62.52 1ied s PRO 335 Cb -0.03 -1.95 0.38 0.00 0.02 0.00 0.00 34.50 32.92 1ied s PRO 335 CO -0.08 -1.26 1.80 -0.09 -0.33 0.00 0.00 177.00 177.04 1ied h ARG 336 N -0.18 0.69 -0.47 5.54 2.43 -1.99 -1.67 114.38 118.72 1ied h ARG 336 Ca -0.46 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.63 1ied h ARG 336 Cb 1.24 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 1ied h ARG 336 CO 0.54 0.45 0.13 0.38 -1.51 0.00 0.00 179.97 179.96 1ied h ASP 337 N 0.71 0.64 -0.16 -3.80 2.03 -1.99 -0.35 116.42 113.50 1ied h ASP 337 Ca 0.38 -0.10 -0.04 0.00 -0.73 0.00 0.00 57.03 56.54 1ied h ASP 337 Cb 0.38 -0.17 -0.00 0.00 -0.83 0.00 0.00 39.33 38.71 1ied h ASP 337 CO -0.26 0.63 -0.06 0.58 -1.03 0.00 0.00 179.24 179.10 1ied h VAL 338 N 0.68 1.30 -0.14 4.15 2.07 -1.71 -2.11 116.25 120.49 1ied h VAL 338 Ca 0.16 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 1ied h VAL 338 Cb 0.23 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1ied h VAL 338 CO -0.01 0.32 0.09 0.58 0.02 0.00 0.00 177.57 178.57 1ied h VAL 339 N 0.02 1.06 -0.61 2.57 2.07 -1.05 -3.01 116.25 117.30 1ied h VAL 339 Ca 0.04 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1ied h VAL 339 Cb 0.52 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1ied h VAL 339 CO 0.02 0.06 0.37 -0.33 0.02 0.00 0.00 177.57 177.70 1ied h GLU 340 N 0.17 0.83 0.15 1.57 5.08 -1.09 0.16 114.58 121.45 1ied h GLU 340 Ca 0.05 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ied h GLU 340 Cb 0.02 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.05 1ied h GLU 340 CO -0.01 0.60 -0.51 1.25 -1.00 0.00 0.00 179.01 179.34 1ied h HIS 341 N 0.83 -1.45 -0.26 4.33 2.76 -1.27 0.34 115.15 120.41 1ied h HIS 341 Ca 0.22 0.04 -0.12 0.00 -2.20 0.00 0.00 60.37 58.30 1ied h HIS 341 Cb -0.02 0.62 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 1ied h HIS 341 CO -0.02 -0.59 -0.35 -1.49 -1.30 0.00 0.00 177.93 174.18 1ied h TRP 342 N -0.75 0.67 0.00 5.26 6.55 -1.46 -3.38 115.95 122.83 1ied h TRP 342 Ca -0.00 -0.18 0.00 0.00 0.95 0.00 0.00 58.89 59.66 1ied h TRP 342 Cb 0.76 -0.15 0.00 0.00 -0.86 0.00 0.00 29.16 28.90 1ied h TRP 342 CO -0.42 0.85 0.00 -0.11 -1.05 0.00 0.00 178.44 177.71 1ied n LEU 343 N -4.06 1.57 0.00 -4.49 7.94 0.56 -4.94 117.00 113.58 1ied n LEU 343 Ca -0.01 0.10 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 1ied n LEU 343 Cb 0.48 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.43 1ied n LEU 343 CO 0.44 0.00 0.00 1.41 -1.11 0.00 0.00 177.39 178.13 1ied n HIS 344 N -0.36 -0.93 -4.21 1.96 8.25 0.12 -5.04 115.22 115.01 1ied n HIS 344 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1ied n HIS 344 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 1ied n HIS 344 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ied s ALA 345 N -2.23 1.20 0.00 -1.41 0.00 -1.26 -4.77 121.76 113.29 1ied s ALA 345 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.43 1ied s ALA 345 Cb 0.00 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1ied s ALA 345 CO 0.00 -0.34 0.00 1.55 0.00 0.00 0.00 175.76 176.97 1ied n VAL 355 N -0.18 0.00 -3.38 0.00 3.14 -1.26 -5.09 118.33 111.55 1ied n VAL 355 Ca -0.07 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.88 1ied n VAL 355 Cb 0.63 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.32 1ied n VAL 355 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ied s ALA 356 N -0.30 3.46 0.39 1.55 0.00 -1.26 -5.06 121.76 120.54 1ied s ALA 356 Ca 0.00 -1.65 -0.27 0.00 0.00 0.00 0.00 51.96 50.04 1ied s ALA 356 Cb 0.00 -2.99 -0.09 0.00 0.00 0.00 0.00 23.12 20.04 1ied s ALA 356 CO 0.00 -1.55 1.32 -0.51 0.00 0.00 0.00 175.76 175.02 1ied s LEU 357 N 1.91 4.25 0.52 0.00 1.43 -1.26 -4.77 118.68 120.75 1ied s LEU 357 Ca 0.08 2.69 -0.18 0.00 -1.03 0.00 0.00 54.13 55.69 1ied s LEU 357 Cb -0.18 -3.85 -0.07 0.00 0.03 0.00 0.00 46.19 42.12 1ied s LEU 357 CO 0.11 -0.81 1.04 -2.16 0.23 0.00 0.00 176.35 174.76 1ied s PRO 358 N -2.17 3.66 -0.14 1.29 0.04 -1.26 -0.69 135.00 135.73 1ied s PRO 358 Ca 0.55 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.83 1ied s PRO 358 Cb -0.39 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.05 1ied s PRO 358 CO 0.50 -0.54 -0.08 -1.17 0.04 0.00 0.00 177.00 175.76 1ied s LEU 359 N -3.88 3.01 0.00 -3.56 2.96 0.00 -2.25 118.68 114.96 1ied s LEU 359 Ca 0.65 -0.22 0.06 0.00 -0.22 0.00 0.00 54.13 54.41 1ied s LEU 359 Cb -0.15 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 1ied s LEU 359 CO 0.27 0.17 0.23 -0.46 -1.32 0.00 0.00 176.35 175.23 1ied n ASN 360 N 3.51 -0.17 -4.52 3.68 0.23 -0.67 -0.37 115.26 116.94 1ied n ASN 360 Ca -0.18 -3.01 -0.41 0.00 -0.53 0.00 0.00 54.58 50.45 1ied n ASN 360 Cb 0.53 1.39 -0.10 0.00 -2.08 0.00 0.00 39.78 39.51 1ied n ASN 360 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1ied s ILE 361 N -3.17 5.28 -1.46 1.53 1.01 -0.61 -0.21 121.20 123.56 1ied s ILE 361 Ca 0.32 -0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.57 1ied s ILE 361 Cb 0.02 -3.75 0.09 0.00 0.01 0.00 0.00 42.46 38.82 1ied s ILE 361 CO 0.23 -0.06 0.71 -3.20 0.00 0.00 0.00 174.94 172.61 1ied n ASN 362 N 5.13 -4.17 -1.62 3.58 4.05 0.34 -1.75 115.26 120.82 1ied n ASN 362 Ca -0.12 -0.61 -0.15 0.00 0.45 0.00 0.00 54.58 54.14 1ied n ASN 362 Cb 0.49 -3.39 -0.02 0.00 1.23 0.00 0.00 39.78 38.09 1ied n ASN 362 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1ied n HIS 363 N -4.29 -0.57 -3.41 1.20 8.25 -1.26 -4.99 115.22 110.15 1ied n HIS 363 Ca 0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.08 1ied n HIS 363 Cb 0.53 -3.07 -0.09 0.00 1.12 0.00 0.00 29.99 28.47 1ied n HIS 363 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1ied s ASP 364 N -2.42 6.21 0.58 0.41 3.68 -0.71 -4.95 116.67 119.46 1ied s ASP 364 Ca 0.00 0.10 0.28 0.00 2.13 0.00 0.00 52.55 55.06 1ied s ASP 364 Cb 0.00 -2.20 1.51 0.00 -1.45 0.00 0.00 42.92 40.79 1ied s ASP 364 CO 0.00 -0.22 1.97 0.44 0.13 0.00 0.00 175.17 177.49 1ied h ASP 365 N 8.29 0.00 0.13 -0.34 3.32 -1.94 0.62 116.42 126.51 1ied h ASP 365 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1ied h ASP 365 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1ied h ASP 365 CO 0.65 0.00 -0.15 0.35 -1.72 0.00 0.00 179.24 178.37 1ied n THR 366 N -3.88 0.00 -2.17 0.35 -2.24 -1.26 -4.21 114.28 100.87 1ied n THR 366 Ca 0.07 -0.18 -0.26 0.00 -2.27 0.00 0.00 64.05 61.41 1ied n THR 366 Cb 0.56 0.45 0.02 0.00 -2.10 0.00 0.00 70.33 69.26 1ied n THR 366 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ied n ALA 367 N -0.30 5.15 -2.46 6.98 0.00 0.21 -0.25 120.51 129.84 1ied n ALA 367 Ca 0.15 -4.00 -0.42 0.00 0.00 0.00 0.00 53.44 49.17 1ied n ALA 367 Cb 0.35 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 1ied n ALA 367 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ied s VAL 368 N -5.00 4.27 -0.43 0.00 1.01 -1.25 -1.57 120.40 117.43 1ied s VAL 368 Ca 0.50 1.59 0.05 0.00 0.00 0.00 0.00 61.98 64.12 1ied s VAL 368 Cb 0.41 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1ied s VAL 368 CO -0.07 -0.00 0.42 1.33 0.00 0.00 0.00 175.10 176.78 1ied n VAL 369 N 4.63 0.00 0.00 2.92 0.24 0.50 -2.53 118.33 124.09 1ied n VAL 369 Ca 0.11 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1ied n VAL 369 Cb 0.46 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 1ied n VAL 369 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ied n GLY 370 N 0.71 -0.73 3.27 7.63 0.00 -1.08 -0.61 105.19 114.38 1ied n GLY 370 Ca 0.02 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 1ied n GLY 370 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ied s HIS 371 N -4.00 0.82 -0.06 1.61 -3.43 -0.77 -0.82 115.29 108.64 1ied s HIS 371 Ca 0.00 -1.13 -0.21 0.00 -0.80 0.00 0.00 55.06 52.92 1ied s HIS 371 Cb 0.00 -0.34 -0.04 0.00 -1.43 0.00 0.00 32.58 30.77 1ied s HIS 371 CO 0.00 -0.67 0.60 0.08 -2.00 0.00 0.00 174.74 172.75 1ied s VAL 372 N -4.07 5.03 -0.71 -5.38 1.01 0.14 -0.12 120.40 116.29 1ied s VAL 372 Ca 0.28 1.24 0.14 0.00 0.00 0.00 0.00 61.98 63.65 1ied s VAL 372 Cb 0.05 -3.94 -0.15 0.00 0.00 0.00 0.00 36.38 32.35 1ied s VAL 372 CO 0.06 0.33 0.62 0.00 0.00 0.00 0.00 175.10 176.12 1ied n ALA 373 N 3.36 3.83 -3.62 5.51 0.00 0.12 -4.45 120.51 125.27 1ied n ALA 373 Ca -0.05 -0.41 -0.09 0.00 0.00 0.00 0.00 53.44 52.89 1ied n ALA 373 Cb 0.51 -0.52 -0.06 0.00 0.00 0.00 0.00 19.45 19.38 1ied n ALA 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ied s ALA 374 N -2.32 -1.97 -0.03 0.00 0.00 -0.92 -2.69 121.76 113.83 1ied s ALA 374 Ca 0.06 1.76 -0.00 0.00 0.00 0.00 0.00 51.96 53.78 1ied s ALA 374 Cb 0.11 -1.20 0.03 0.00 0.00 0.00 0.00 23.12 22.06 1ied s ALA 374 CO 0.58 -0.25 0.04 1.41 0.00 0.00 0.00 175.76 177.53 1ied s MET 375 N -0.27 -0.04 -0.09 0.00 0.00 -1.26 -1.41 119.30 116.22 1ied s MET 375 Ca 0.02 0.23 -0.04 0.00 0.00 0.00 0.00 55.69 55.90 1ied s MET 375 Cb -0.03 -0.29 0.05 0.00 0.00 0.00 0.00 34.83 34.55 1ied s MET 375 CO -0.04 -0.20 0.20 -1.14 0.00 0.00 0.00 175.02 173.84 1ied s GLN 376 N 1.28 0.13 -0.25 4.11 2.00 0.17 -5.00 119.66 122.11 1ied s GLN 376 Ca -0.06 0.50 -0.24 0.00 -2.00 0.00 0.00 55.36 53.56 1ied s GLN 376 Cb -0.13 -0.15 -0.01 0.00 0.80 0.00 0.00 33.01 33.52 1ied s GLN 376 CO -0.03 -0.20 0.80 0.45 -0.50 0.00 0.00 175.29 175.81 1ied s SER 377 N 1.48 6.79 0.51 6.67 0.15 -1.26 -0.69 113.70 127.34 1ied s SER 377 Ca -0.07 0.97 0.01 0.00 0.70 0.00 0.00 55.95 57.57 1ied s SER 377 Cb -0.11 -2.42 -0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1ied s SER 377 CO -0.07 -0.50 0.03 0.68 1.20 0.00 0.00 173.24 174.58 1ied s VAL 378 N 2.79 0.92 0.22 4.45 -7.23 0.03 -4.99 120.40 116.60 1ied s VAL 378 Ca 0.33 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.36 1ied s VAL 378 Cb -0.15 -2.07 0.25 0.00 0.56 0.00 0.00 36.38 34.97 1ied s VAL 378 CO 0.08 0.00 1.60 -0.09 -0.31 0.00 0.00 175.10 176.38 1ied h ARG 379 N 1.37 -0.03 -0.01 4.82 2.43 -1.95 -2.62 114.38 118.38 1ied h ARG 379 Ca -0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1ied h ARG 379 Cb 1.32 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 1ied h ARG 379 CO 0.69 -0.02 -0.18 -0.25 -1.51 0.00 0.00 179.97 178.70 1ied n ASP 380 N -5.47 1.35 0.00 -3.80 8.00 -1.26 -4.88 116.55 110.50 1ied n ASP 380 Ca 0.08 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.40 1ied n ASP 380 Cb 0.37 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1ied n ASP 380 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ied n GLY 381 N 1.30 -0.73 3.55 0.44 0.00 -0.99 -1.77 105.19 106.99 1ied n GLY 381 Ca 0.14 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 1ied n GLY 381 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ied s LEU 382 N 0.00 4.39 -0.09 0.99 2.96 -0.21 -0.79 118.68 125.94 1ied s LEU 382 Ca 0.00 -0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 53.70 1ied s LEU 382 Cb 0.00 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 1ied s LEU 382 CO 0.00 -0.35 0.10 0.12 -1.32 0.00 0.00 176.35 174.91 1ied s PHE 383 N 2.08 3.46 0.08 5.38 2.19 0.13 0.28 117.98 131.57 1ied s PHE 383 Ca 0.13 0.41 0.06 0.00 0.33 0.00 0.00 56.93 57.85 1ied s PHE 383 Cb -0.16 -1.88 -0.03 0.00 -1.31 0.00 0.00 43.02 39.64 1ied s PHE 383 CO 0.12 0.65 -0.16 0.00 1.83 0.00 0.00 175.22 177.66 1ied s LEU 385 N -1.71 0.83 0.38 0.00 1.98 -0.50 -1.19 118.68 118.47 1ied s LEU 385 Ca 0.00 -0.28 0.08 0.00 -2.89 0.00 0.00 54.13 51.04 1ied s LEU 385 Cb -0.10 -0.55 -0.06 0.00 0.66 0.00 0.00 46.19 46.14 1ied s LEU 385 CO 0.03 -0.20 0.04 -0.83 -1.89 0.00 0.00 176.35 173.49 1ied s GLY 386 N 1.90 2.28 -0.13 7.98 0.00 0.36 0.15 107.32 119.87 1ied s GLY 386 Ca 0.04 -2.12 -0.01 0.00 0.00 0.00 0.00 44.72 42.62 1ied s GLY 386 CO -0.06 -1.98 -0.02 0.00 0.00 0.00 0.00 173.10 171.03 1ied s VAL 388 N 1.80 4.69 -0.00 0.00 1.01 0.28 -1.85 120.40 126.32 1ied s VAL 388 Ca 0.03 0.93 0.03 0.00 0.00 0.00 0.00 61.98 62.97 1ied s VAL 388 Cb -0.14 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1ied s VAL 388 CO -0.07 -0.48 0.06 0.35 0.00 0.00 0.00 175.10 174.96 1ied n THR 389 N 5.86 0.00 -1.61 3.92 -2.24 0.22 -1.67 114.28 118.76 1ied n THR 389 Ca 0.04 -0.07 -0.50 0.00 -2.27 0.00 0.00 64.05 61.26 1ied n THR 389 Cb 0.48 0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 69.07 1ied n THR 389 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ied n SER 390 N -1.61 2.95 -0.26 3.42 2.88 -0.55 -4.87 113.62 115.58 1ied n SER 390 Ca -0.01 0.75 -0.03 0.00 -1.33 0.00 0.00 58.87 58.25 1ied n SER 390 Cb 0.08 -1.33 0.14 0.00 -0.75 0.00 0.00 64.21 62.35 1ied n SER 390 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1ied h PRO 391 N 10.51 1.11 -0.13 -1.46 0.11 -1.92 -1.01 132.00 139.21 1ied h PRO 391 Ca -0.42 -0.14 -0.02 0.00 0.11 0.00 0.00 66.00 65.53 1ied h PRO 391 Cb 1.29 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ied h PRO 391 CO 0.97 0.83 0.02 0.00 -0.21 0.00 0.00 178.00 179.61 1ied h ARG 392 N 1.11 0.22 -0.05 1.05 3.08 -1.97 -1.65 114.38 116.17 1ied h ARG 392 Ca 0.27 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 1ied h ARG 392 Cb 0.07 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1ied h ARG 392 CO -0.04 0.42 0.03 0.35 -1.07 0.00 0.00 179.97 179.66 1ied h PHE 393 N -0.02 0.07 -0.70 3.04 3.57 -1.91 -1.72 116.94 119.27 1ied h PHE 393 Ca 0.04 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1ied h PHE 393 Cb 0.31 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1ied h PHE 393 CO 0.02 0.08 0.39 -0.07 -2.23 0.00 0.00 178.31 176.50 1ied h LEU 394 N 0.03 0.85 -0.42 0.59 -0.00 -1.16 -0.72 115.31 114.49 1ied h LEU 394 Ca 0.02 -0.06 -0.11 0.00 -0.00 0.00 0.00 57.88 57.73 1ied h LEU 394 Cb 0.03 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.46 1ied h LEU 394 CO -0.00 0.68 -0.16 -0.08 -0.00 0.00 0.00 178.44 178.88 1ied h GLU 395 N 0.97 0.85 -0.16 1.13 4.57 -1.14 0.19 114.58 120.99 1ied h GLU 395 Ca 0.25 -0.35 0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1ied h GLU 395 Cb 0.01 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1ied h GLU 395 CO -0.04 0.99 0.01 0.82 -1.18 0.00 0.00 179.01 179.61 1ied h ILE 396 N 0.67 0.91 -0.83 2.32 5.03 -0.84 -1.18 117.51 123.59 1ied h ILE 396 Ca 0.10 -0.03 -0.00 0.00 -0.12 0.00 0.00 64.86 64.81 1ied h ILE 396 Cb 0.71 0.83 -0.04 0.00 -3.03 0.00 0.00 36.82 35.29 1ied h ILE 396 CO 0.05 0.01 0.51 0.58 -0.68 0.00 0.00 178.15 178.63 1ied h VAL 397 N 0.07 1.22 -0.08 1.67 2.07 -0.91 -2.09 116.25 118.20 1ied h VAL 397 Ca 0.07 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1ied h VAL 397 Cb 0.08 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1ied h VAL 397 CO -0.11 0.23 0.05 -0.09 0.02 0.00 0.00 177.57 177.67 1ied h ARG 398 N 1.13 0.10 -0.56 1.57 2.43 0.13 -0.99 114.38 118.20 1ied h ARG 398 Ca 0.30 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 1ied h ARG 398 Cb -0.07 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1ied h ARG 398 CO -0.06 0.10 0.29 0.00 -1.51 0.00 0.00 179.97 178.80 1ied h ARG 399 N 0.08 0.80 -0.35 0.20 3.08 -0.93 -2.64 114.38 114.61 1ied h ARG 399 Ca 0.03 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 1ied h ARG 399 Cb 0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1ied h ARG 399 CO -0.01 0.63 -0.19 0.00 -1.07 0.00 0.00 179.97 179.33 1ied h ALA 400 N 1.13 1.00 0.00 0.04 0.00 -1.29 -2.80 119.26 117.33 1ied h ALA 400 Ca 0.20 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1ied h ALA 400 Cb 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ied h ALA 400 CO -0.03 0.59 -0.05 0.66 0.00 0.00 0.00 179.25 180.42 1ied h SER 401 N 0.60 0.00 1.17 0.00 4.64 -0.82 -0.49 113.55 118.65 1ied h SER 401 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1ied h SER 401 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1ied h SER 401 CO 0.05 0.05 0.00 -0.62 -0.87 0.00 0.00 176.83 175.44 1ied n GLU 402 N -3.66 0.23 -0.72 4.77 -0.58 -1.06 -3.15 120.64 116.47 1ied n GLU 402 Ca -0.02 0.29 0.01 0.00 -0.42 0.00 0.00 57.16 57.01 1ied n GLU 402 Cb 0.15 -1.82 0.20 0.00 -0.57 0.00 0.00 31.44 29.41 1ied n GLU 402 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ied n LYS 403 N -2.22 1.73 -4.04 3.49 4.76 -0.20 -4.97 118.16 116.71 1ied n LYS 403 Ca 0.04 -3.29 -0.34 0.00 -2.87 0.00 0.00 58.31 51.86 1ied n LYS 403 Cb 0.35 -1.71 -0.15 0.00 -1.84 0.00 0.00 35.03 31.67 1ied n LYS 403 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ied s SER 404 N -2.97 3.72 0.29 4.39 0.15 -1.19 -4.98 113.70 113.12 1ied s SER 404 Ca 0.41 -0.52 0.08 0.00 0.70 0.00 0.00 55.95 56.62 1ied s SER 404 Cb 0.39 -1.61 0.45 0.00 -1.71 0.00 0.00 66.02 63.54 1ied s SER 404 CO -0.04 -0.01 1.69 -0.33 1.20 0.00 0.00 173.24 175.75 1ied h GLU 405 N 7.99 0.18 0.16 5.44 4.39 -1.93 -0.32 114.58 130.48 1ied h GLU 405 Ca -0.43 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.19 1ied h GLU 405 Cb 1.15 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 1ied h GLU 405 CO 0.62 0.60 -0.19 1.25 -1.16 0.00 0.00 179.01 180.13 1ied h LEU 406 N 0.15 -0.52 -0.64 1.33 5.85 -1.96 -1.24 115.31 118.27 1ied h LEU 406 Ca 0.01 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1ied h LEU 406 Cb 0.87 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1ied h LEU 406 CO 0.07 -0.28 0.38 0.58 -0.34 0.00 0.00 178.44 178.84 1ied h VAL 407 N -0.40 1.19 -0.31 1.05 2.07 -1.81 -2.35 116.25 115.70 1ied h VAL 407 Ca 0.01 -0.44 0.09 0.00 0.82 0.00 0.00 66.70 67.18 1ied h VAL 407 Cb 0.39 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1ied h VAL 407 CO -0.07 0.20 0.23 0.28 0.02 0.00 0.00 177.57 178.23 1ied h SER 408 N 0.87 0.00 1.01 0.57 0.02 -0.56 0.18 113.55 115.65 1ied h SER 408 Ca 0.23 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1ied h SER 408 Cb -0.01 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 1ied h SER 408 CO -0.04 0.00 -0.03 0.03 -1.14 0.00 0.00 176.83 175.65 1ied h ARG 409 N 0.00 0.00 -0.67 3.45 3.08 -0.67 -3.49 114.38 116.07 1ied h ARG 409 Ca 0.15 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.28 1ied h ARG 409 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1ied h ARG 409 CO -0.00 0.03 -0.13 0.41 -1.07 0.00 0.00 179.97 179.21 1ied n GLY 410 N 0.05 -1.61 3.96 0.04 0.00 0.64 -4.99 105.19 103.28 1ied n GLY 410 Ca 0.01 -1.45 -0.26 0.00 0.00 0.00 0.00 46.02 44.32 1ied n GLY 410 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ied s PRO 411 N -1.57 1.32 0.20 1.61 0.04 -1.26 -4.98 135.00 130.37 1ied s PRO 411 Ca 0.00 -0.75 -0.30 0.00 0.04 0.00 0.00 61.00 59.99 1ied s PRO 411 Cb 0.00 -2.12 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1ied s PRO 411 CO 0.00 -1.81 1.42 0.14 0.04 0.00 0.00 177.00 176.79 1ied s VAL 412 N -3.45 2.91 0.00 -0.36 -7.23 -1.26 -4.89 120.40 106.12 1ied s VAL 412 Ca 0.69 0.72 0.00 0.00 -1.81 0.00 0.00 61.98 61.58 1ied s VAL 412 Cb -0.05 -3.46 0.00 0.00 0.56 0.00 0.00 36.38 33.43 1ied s VAL 412 CO 0.48 0.09 0.00 -0.24 -0.31 0.00 0.00 175.10 175.12 1ied n SER 413 N 2.95 0.00 0.10 4.85 2.88 -1.26 -1.59 113.62 121.54 1ied n SER 413 Ca 0.08 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.81 1ied n SER 413 Cb 0.41 0.00 0.74 0.00 -0.75 0.00 0.00 64.21 64.61 1ied n SER 413 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ied h PRO 414 N 0.00 0.00 -6.92 -1.46 0.13 -2.03 -3.43 132.00 118.29 1ied h PRO 414 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 1ied h PRO 414 Cb 0.00 0.00 0.05 0.00 0.13 0.00 0.00 31.00 31.18 1ied h PRO 414 CO 0.00 0.00 0.51 -0.51 -0.23 0.00 0.00 178.00 177.77 1ied s LEU 415 N -8.19 4.27 0.26 1.56 1.43 -0.62 -4.99 118.68 112.39 1ied s LEU 415 Ca -0.05 2.36 -0.30 0.00 -1.03 0.00 0.00 54.13 55.12 1ied s LEU 415 Cb 0.17 -3.93 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 1ied s LEU 415 CO 0.64 -0.58 1.01 0.00 0.23 0.00 0.00 176.35 177.65 1ied s GLN 416 N -2.13 4.76 0.44 1.70 -2.07 -1.26 -4.83 119.66 116.27 1ied s GLN 416 Ca 0.54 1.63 -0.26 0.00 -1.82 0.00 0.00 55.36 55.46 1ied s GLN 416 Cb -0.31 -3.24 -0.08 0.00 -1.09 0.00 0.00 33.01 28.28 1ied s GLN 416 CO 0.40 0.38 1.42 -2.14 -1.32 0.00 0.00 175.29 174.03 1ied s PRO 417 N -1.30 3.75 -0.41 9.60 0.02 -1.26 -4.89 135.00 140.51 1ied s PRO 417 Ca 0.43 2.40 0.05 0.00 0.02 0.00 0.00 61.00 63.89 1ied s PRO 417 Cb -0.29 -2.69 0.17 0.00 0.02 0.00 0.00 34.50 31.71 1ied s PRO 417 CO 0.36 -0.76 0.46 0.34 -0.33 0.00 0.00 177.00 177.08 1ied s ASP 418 N -0.51 0.46 0.22 2.53 -1.08 -1.26 -5.04 116.67 111.99 1ied s ASP 418 Ca 0.60 -1.86 -0.14 0.00 -0.52 0.00 0.00 52.55 50.63 1ied s ASP 418 Cb -0.43 0.74 0.25 0.00 -1.46 0.00 0.00 42.92 42.02 1ied s ASP 418 CO 0.56 -0.19 1.61 0.11 0.52 0.00 0.00 175.17 177.78 1ied h LYS 419 N 6.35 -0.03 -0.18 4.34 1.57 -1.93 0.20 116.57 126.89 1ied h LYS 419 Ca 0.10 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1ied h LYS 419 Cb 1.05 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1ied h LYS 419 CO 0.19 -0.02 0.11 0.28 -0.57 0.00 0.00 179.45 179.44 1ied h VAL 420 N -0.03 1.07 -0.80 0.50 2.07 -1.88 0.76 116.25 117.94 1ied h VAL 420 Ca 0.32 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.63 1ied h VAL 420 Cb 0.52 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1ied h VAL 420 CO -0.72 0.07 0.35 0.58 0.02 0.00 0.00 177.57 177.86 1ied h VAL 421 N 0.22 1.26 -0.54 2.57 2.07 -1.70 -1.77 116.25 118.35 1ied h VAL 421 Ca 0.06 -0.78 -0.10 0.00 0.82 0.00 0.00 66.70 66.70 1ied h VAL 421 Cb 0.02 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1ied h VAL 421 CO -0.01 0.33 -0.07 -0.33 0.02 0.00 0.00 177.57 177.50 1ied h GLU 422 N 1.16 0.99 -0.54 1.57 5.08 -0.32 -0.19 114.58 122.33 1ied h GLU 422 Ca 0.27 -0.34 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1ied h GLU 422 Cb 0.18 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1ied h GLU 422 CO -0.03 1.01 -0.01 0.35 -1.00 0.00 0.00 179.01 179.34 1ied h PHE 423 N 0.89 1.04 -0.54 4.33 3.57 -0.55 -1.11 116.94 124.57 1ied h PHE 423 Ca 0.15 -0.18 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 1ied h PHE 423 Cb 0.62 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1ied h PHE 423 CO 0.04 0.95 0.12 -0.07 -2.23 0.00 0.00 178.31 177.12 1ied h LEU 424 N 0.83 0.83 -1.00 0.59 3.38 -1.17 -0.76 115.31 118.01 1ied h LEU 424 Ca 0.15 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1ied h LEU 424 Cb 0.54 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1ied h LEU 424 CO 0.03 0.86 0.66 0.28 0.09 0.00 0.00 178.44 180.36 1ied h SER 425 N 0.77 1.13 -0.03 -0.43 0.02 -0.80 -0.98 113.55 113.23 1ied h SER 425 Ca 0.17 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1ied h SER 425 Cb 0.36 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1ied h SER 425 CO 0.00 0.80 -0.12 1.23 -1.14 0.00 0.00 176.83 177.60 1ied h GLY 426 N 1.33 0.14 0.31 -3.77 0.00 -0.91 -3.35 103.07 96.82 1ied h GLY 426 Ca 0.38 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1ied h GLY 426 CO -0.10 0.18 -0.07 1.76 0.00 0.00 0.00 176.54 178.31 1ied h SER 427 N -0.47 -0.17 -2.64 0.19 0.02 -1.04 -3.39 113.55 106.05 1ied h SER 427 Ca -0.01 -0.35 -0.73 0.00 -0.84 0.00 0.00 61.79 59.86 1ied h SER 427 Cb 0.78 0.05 -0.33 0.00 0.14 0.00 0.00 62.40 63.03 1ied h SER 427 CO 0.03 0.40 0.25 -1.22 -1.14 0.00 0.00 176.83 175.15 1ied n TYR 428 N -4.90 2.79 1.41 3.45 4.02 -0.38 -4.12 117.16 119.42 1ied n TYR 428 Ca -0.07 -3.19 0.14 0.00 -0.01 0.00 0.00 57.90 54.77 1ied n TYR 428 Cb 0.26 -0.98 0.74 0.00 -0.02 0.00 0.00 39.34 39.33 1ied n TYR 428 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ied n ALA 429 N 1.13 2.44 -2.43 -0.72 0.00 -1.01 -4.61 120.51 115.31 1ied n ALA 429 Ca 0.28 -0.14 -0.23 0.00 0.00 0.00 0.00 53.44 53.35 1ied n ALA 429 Cb 0.36 -1.47 -0.11 0.00 0.00 0.00 0.00 19.45 18.23 1ied n ALA 429 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ied s GLY 430 N -2.53 1.62 0.03 0.00 0.00 -0.38 0.05 107.32 106.11 1ied s GLY 430 Ca 0.29 -1.68 0.04 0.00 0.00 0.00 0.00 44.72 43.37 1ied s GLY 430 CO 0.44 -1.74 -0.04 1.08 0.00 0.00 0.00 173.10 172.83 1ied s LEU 431 N -3.07 3.29 -0.09 0.66 1.02 0.10 -1.32 118.68 119.28 1ied s LEU 431 Ca 0.23 -0.15 -0.03 0.00 0.02 0.00 0.00 54.13 54.20 1ied s LEU 431 Cb -0.05 -1.94 0.05 0.00 0.02 0.00 0.00 46.19 44.27 1ied s LEU 431 CO 0.10 0.25 0.12 -0.55 0.02 0.00 0.00 176.35 176.29 1ied s SER 432 N -1.71 1.15 -0.13 2.29 0.15 -0.15 -4.43 113.70 110.86 1ied s SER 432 Ca 0.20 0.08 -0.11 0.00 0.70 0.00 0.00 55.95 56.81 1ied s SER 432 Cb -0.11 0.06 -0.05 0.00 -1.71 0.00 0.00 66.02 64.21 1ied s SER 432 CO 0.11 -0.27 0.23 -0.22 1.20 0.00 0.00 173.24 174.30 1ied s LEU 433 N 2.23 4.31 0.15 3.45 2.96 -1.26 -1.29 118.68 129.23 1ied s LEU 433 Ca 0.04 0.51 -0.22 0.00 -0.22 0.00 0.00 54.13 54.23 1ied s LEU 433 Cb -0.13 -2.26 0.07 0.00 0.50 0.00 0.00 46.19 44.37 1ied s LEU 433 CO -0.06 0.24 0.58 -0.44 -1.32 0.00 0.00 176.35 175.35 1ied s SER 434 N -0.21 -0.53 0.03 3.68 0.01 -1.25 -5.04 113.70 110.39 1ied s SER 434 Ca 0.15 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.41 1ied s SER 434 Cb -0.13 0.58 -0.00 0.00 0.21 0.00 0.00 66.02 66.68 1ied s SER 434 CO 0.04 -0.94 0.02 -1.54 0.41 0.00 0.00 173.24 171.24 1ied n SER 435 N -0.31 0.15 0.00 2.44 3.41 -1.26 -3.93 113.62 114.12 1ied n SER 435 Ca -0.17 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 1ied n SER 435 Cb 0.65 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1ied n SER 435 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1ied n THR 453 N -0.07 0.00 0.44 6.66 5.66 -1.26 -5.07 114.28 120.64 1ied n THR 453 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.82 1ied n THR 453 Cb 0.06 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.75 1ied n THR 453 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 1ied h PRO 454 N 0.00 -1.09 -6.00 1.09 0.11 -2.00 -3.35 132.00 120.76 1ied h PRO 454 Ca 0.00 0.07 -0.47 0.00 0.11 0.00 0.00 66.00 65.71 1ied h PRO 454 Cb 0.00 0.25 -0.07 0.00 0.11 0.00 0.00 31.00 31.29 1ied h PRO 454 CO 0.00 -0.72 1.15 -0.06 -0.21 0.00 0.00 178.00 178.17 1ied s PHE 455 N -5.71 2.12 -0.12 0.65 2.99 -1.26 -4.79 117.98 111.86 1ied s PHE 455 Ca -0.18 0.02 -0.08 0.00 0.00 0.00 0.00 56.93 56.69 1ied s PHE 455 Cb 0.02 -4.38 -0.06 0.00 0.00 0.00 0.00 43.02 38.61 1ied s PHE 455 CO 0.57 -1.95 0.07 -0.22 -0.00 0.00 0.00 175.22 173.69 1ied h LYS 456 N 11.11 0.00 -2.54 0.44 3.64 -1.71 -3.50 116.57 124.01 1ied h LYS 456 Ca 0.02 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.54 1ied h LYS 456 Cb 1.04 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.80 1ied h LYS 456 CO 1.30 0.21 0.44 -1.83 -2.27 0.00 0.00 179.45 177.30 1ied s GLU 457 N -1.88 1.41 -0.06 1.90 4.04 -1.25 -4.50 118.70 118.35 1ied s GLU 457 Ca -0.09 -0.82 0.06 0.00 0.04 0.00 0.00 54.97 54.16 1ied s GLU 457 Cb 0.01 0.45 -0.01 0.00 0.02 0.00 0.00 34.13 34.60 1ied s GLU 457 CO 0.19 -0.65 -0.24 0.08 -1.84 0.00 0.00 175.26 172.80 1ied s VAL 458 N -3.10 2.01 0.03 1.83 1.01 -0.95 -3.92 120.40 117.29 1ied s VAL 458 Ca 0.14 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 61.15 1ied s VAL 458 Cb -0.03 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1ied s VAL 458 CO 0.04 0.56 -0.17 0.00 0.00 0.00 0.00 175.10 175.54 1ied s ALA 459 N -0.08 2.63 -0.16 5.51 0.00 -0.41 -1.67 121.76 127.59 1ied s ALA 459 Ca -0.06 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 50.59 1ied s ALA 459 Cb -0.14 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1ied s ALA 459 CO 0.04 0.57 0.39 -0.51 0.00 0.00 0.00 175.76 176.25 1ied s LEU 460 N -1.33 4.23 0.31 0.00 1.43 0.70 -0.98 118.68 123.04 1ied s LEU 460 Ca 0.14 0.62 0.03 0.00 -1.03 0.00 0.00 54.13 53.89 1ied s LEU 460 Cb -0.11 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1ied s LEU 460 CO 0.05 0.02 0.14 0.00 0.23 0.00 0.00 176.35 176.79 1ied h SER 462 N 2.19 0.74 -3.58 0.00 4.64 -1.84 -0.90 113.55 114.80 1ied h SER 462 Ca -0.35 -0.29 -0.02 0.00 -0.47 0.00 0.00 61.79 60.66 1ied h SER 462 Cb 1.25 -0.20 -0.21 0.00 -0.31 0.00 0.00 62.40 62.93 1ied h SER 462 CO 0.55 0.99 0.08 0.68 -0.87 0.00 0.00 176.83 178.26 1ied s VAL 463 N -4.45 -0.00 0.52 0.95 -7.23 -1.26 -3.14 120.40 105.79 1ied s VAL 463 Ca -0.09 0.00 -0.17 0.00 -1.81 0.00 0.00 61.98 59.91 1ied s VAL 463 Cb 0.13 -0.99 -0.07 0.00 0.56 0.00 0.00 36.38 36.00 1ied s VAL 463 CO 0.84 0.00 1.00 -0.83 -0.31 0.00 0.00 175.10 175.80 1ied s GLY 464 N 0.91 2.15 0.18 2.32 0.00 -1.26 -4.86 107.32 106.75 1ied s GLY 464 Ca -0.04 0.28 0.09 0.00 0.00 0.00 0.00 44.72 45.05 1ied s GLY 464 CO -0.08 0.57 1.37 3.21 0.00 0.00 0.00 173.10 178.17 1ied h ARG 465 N 0.98 0.00 -6.25 2.90 3.08 -1.99 -3.43 114.38 109.67 1ied h ARG 465 Ca -0.47 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.01 1ied h ARG 465 Cb 1.19 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.20 1ied h ARG 465 CO 0.60 0.84 0.01 1.03 -1.07 0.00 0.00 179.97 181.39 1ied s ARG 466 N -2.91 4.29 0.41 0.04 0.52 -1.26 -5.05 118.95 114.98 1ied s ARG 466 Ca 0.01 0.82 -0.23 0.00 -0.52 0.00 0.00 55.73 55.81 1ied s ARG 466 Cb 0.10 -3.27 -0.10 0.00 0.52 0.00 0.00 34.95 32.21 1ied s ARG 466 CO 0.79 0.57 0.99 1.03 0.02 0.00 0.00 175.30 178.70 1ied s ARG 467 N -0.91 4.23 0.00 3.54 1.81 -1.26 -3.70 118.95 122.65 1ied s ARG 467 Ca 0.31 1.31 0.00 0.00 -1.72 0.00 0.00 55.73 55.62 1ied s ARG 467 Cb -0.20 -2.40 0.00 0.00 -0.45 0.00 0.00 34.95 31.90 1ied s ARG 467 CO 0.20 -0.05 0.00 0.41 -0.68 0.00 0.00 175.30 175.18 1ied n GLY 468 N -0.05 0.67 1.66 -3.53 0.00 -1.26 -4.37 105.19 98.31 1ied n GLY 468 Ca 0.06 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1ied n GLY 468 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ied n THR 469 N -2.64 2.21 -1.65 2.61 -2.24 -1.24 -4.14 114.28 107.18 1ied n THR 469 Ca 0.00 -1.12 -0.46 0.00 -2.27 0.00 0.00 64.05 60.20 1ied n THR 469 Cb 0.00 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 67.64 1ied n THR 469 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1ied n LEU 470 N -0.24 2.82 -4.71 3.22 7.94 -1.26 0.01 117.00 124.78 1ied n LEU 470 Ca 0.32 1.13 -0.37 0.00 -1.11 0.00 0.00 56.01 55.97 1ied n LEU 470 Cb 1.13 -1.39 -0.07 0.00 0.53 0.00 0.00 43.42 43.62 1ied n LEU 470 CO 0.33 -0.58 0.08 0.00 -1.11 0.00 0.00 177.39 176.11 1ied s ALA 471 N 0.18 3.54 -0.22 1.96 0.00 0.11 -4.35 121.76 122.98 1ied s ALA 471 Ca 0.72 -0.37 -0.00 0.00 0.00 0.00 0.00 51.96 52.31 1ied s ALA 471 Cb -0.70 -2.54 0.02 0.00 0.00 0.00 0.00 23.12 19.91 1ied s ALA 471 CO 0.47 -0.02 -0.12 0.08 0.00 0.00 0.00 175.76 176.16 1ied s VAL 472 N 0.70 2.51 0.04 0.00 1.01 -0.22 -4.84 120.40 119.60 1ied s VAL 472 Ca 0.21 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1ied s VAL 472 Cb -0.14 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1ied s VAL 472 CO 0.07 0.34 0.21 -0.31 0.00 0.00 0.00 175.10 175.41 1ied s TYR 473 N 1.30 3.53 -0.07 5.22 2.02 -1.26 -0.95 117.35 127.14 1ied s TYR 473 Ca 0.02 0.30 -0.31 0.00 -0.37 0.00 0.00 57.07 56.70 1ied s TYR 473 Cb -0.15 -1.79 0.12 0.00 -0.40 0.00 0.00 41.96 39.73 1ied s TYR 473 CO -0.08 0.61 1.08 0.20 -1.57 0.00 0.00 175.55 175.79 1ied s GLY 474 N -2.30 -0.36 0.35 0.71 0.00 -0.64 -4.61 107.32 100.47 1ied s GLY 474 Ca 0.32 1.14 0.21 0.00 0.00 0.00 0.00 44.72 46.40 1ied s GLY 474 CO 0.25 0.36 1.44 3.21 0.00 0.00 0.00 173.10 178.36 1ied h ARG 475 N 2.00 0.00 -5.24 2.90 2.47 -1.87 -0.68 114.38 113.96 1ied h ARG 475 Ca -0.18 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 57.87 1ied h ARG 475 Cb 1.20 0.00 -0.32 0.00 -1.65 0.00 0.00 29.97 29.20 1ied h ARG 475 CO 0.26 0.10 -0.84 0.34 0.56 0.00 0.00 179.97 180.40 1ied s ASP 476 N -6.08 3.39 0.17 7.04 3.68 -1.26 -4.70 116.67 118.90 1ied s ASP 476 Ca 0.05 -0.52 -0.15 0.00 2.13 0.00 0.00 52.55 54.06 1ied s ASP 476 Cb 0.06 -1.50 0.11 0.00 -1.45 0.00 0.00 42.92 40.15 1ied s ASP 476 CO 0.71 0.11 1.75 -0.65 0.13 0.00 0.00 175.17 177.22 1ied h PRO 477 N 7.12 0.29 -0.44 4.34 0.11 -1.96 -1.36 132.00 140.10 1ied h PRO 477 Ca -0.29 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.82 1ied h PRO 477 Cb 1.20 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1ied h PRO 477 CO 0.54 0.19 0.26 1.49 -0.21 0.00 0.00 178.00 180.27 1ied h GLU 478 N 0.30 0.50 -0.23 1.05 4.57 -2.00 -2.05 114.58 116.72 1ied h GLU 478 Ca 0.20 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.36 1ied h GLU 478 Cb 0.19 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1ied h GLU 478 CO -0.21 0.33 0.10 2.35 -1.18 0.00 0.00 179.01 180.41 1ied h TRP 479 N 0.52 0.19 -0.17 0.92 7.01 -1.86 -1.78 115.95 120.78 1ied h TRP 479 Ca 0.18 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.23 1ied h TRP 479 Cb 0.02 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 26.99 1ied h TRP 479 CO -0.07 0.10 -0.08 0.28 -2.79 0.00 0.00 178.44 175.88 1ied h VAL 480 N 0.23 0.75 -0.61 2.65 2.07 -0.95 -1.94 116.25 118.45 1ied h VAL 480 Ca 0.10 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.67 1ied h VAL 480 Cb 0.04 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1ied h VAL 480 CO -0.08 0.00 0.41 0.74 0.02 0.00 0.00 177.57 178.66 1ied h THR 481 N -0.05 1.04 0.00 2.57 2.02 -1.13 -0.74 112.91 116.61 1ied h THR 481 Ca 0.09 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1ied h THR 481 Cb 0.19 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1ied h THR 481 CO -0.20 0.12 0.00 0.00 0.37 0.00 0.00 175.52 175.81 1ied n GLN 482 N -4.47 0.01 0.20 6.66 1.13 -0.69 -2.41 117.38 117.81 1ied n GLN 482 Ca 0.08 0.29 0.14 0.00 -1.94 0.00 0.00 57.00 55.57 1ied n GLN 482 Cb 0.19 -1.50 0.45 0.00 0.11 0.00 0.00 30.24 29.49 1ied n GLN 482 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ied h ARG 483 N 0.00 0.00 -4.40 -1.09 -0.00 -0.95 -3.42 114.38 104.52 1ied h ARG 483 Ca 0.00 0.00 -0.72 0.00 -0.50 0.00 0.00 59.98 58.76 1ied h ARG 483 Cb 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 29.97 29.90 1ied h ARG 483 CO 0.00 0.00 -0.43 -0.06 0.00 0.00 0.00 179.97 179.48 1ied s PHE 484 N -3.37 3.33 0.50 3.04 0.40 -1.01 -4.25 117.98 116.62 1ied s PHE 484 Ca 0.05 -1.46 0.24 0.00 -0.60 0.00 0.00 56.93 55.16 1ied s PHE 484 Cb 0.08 -3.07 1.32 0.00 0.51 0.00 0.00 43.02 41.86 1ied s PHE 484 CO 0.56 -0.86 1.95 -1.35 0.70 0.00 0.00 175.22 176.22 1ied h PRO 485 N 8.48 0.11 0.00 0.24 0.11 -1.81 -2.11 132.00 137.03 1ied h PRO 485 Ca -0.24 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 1ied h PRO 485 Cb 1.09 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ied h PRO 485 CO 0.80 0.08 -0.12 -0.44 -0.21 0.00 0.00 178.00 178.10 1ied h ASP 486 N 0.12 0.00 -3.21 -2.05 3.32 -1.93 -3.43 116.42 109.23 1ied h ASP 486 Ca 0.33 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.82 1ied h ASP 486 Cb 1.13 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 1ied h ASP 486 CO -0.04 0.12 0.59 -0.76 -1.72 0.00 0.00 179.24 177.43 1ied s LEU 487 N -7.09 4.27 0.62 1.55 1.43 -0.80 -4.97 118.68 113.69 1ied s LEU 487 Ca -0.02 1.65 -0.05 0.00 -1.03 0.00 0.00 54.13 54.68 1ied s LEU 487 Cb 0.12 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.82 1ied s LEU 487 CO 0.58 -0.47 0.91 0.42 0.23 0.00 0.00 176.35 178.02 1ied s THR 488 N 1.95 2.97 0.38 5.49 -4.23 -1.26 -4.88 115.64 116.05 1ied s THR 488 Ca 0.51 -0.25 0.09 0.00 -1.18 0.00 0.00 61.69 60.86 1ied s THR 488 Cb -0.21 -3.20 0.31 0.00 1.34 0.00 0.00 72.50 70.74 1ied s THR 488 CO 0.20 -0.20 1.94 0.00 -0.54 0.00 0.00 174.62 176.02 1ied h ALA 489 N -0.27 1.81 -0.43 3.99 0.00 -1.98 -0.50 119.26 121.88 1ied h ALA 489 Ca -0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 1ied h ALA 489 Cb 1.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1ied h ALA 489 CO 0.59 0.03 -0.10 0.00 0.00 0.00 0.00 179.25 179.77 1ied h ALA 490 N 1.62 0.59 0.03 0.00 0.00 -1.99 -0.53 119.26 118.98 1ied h ALA 490 Ca 0.35 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ied h ALA 490 Cb 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ied h ALA 490 CO -0.13 0.48 -0.08 -0.44 0.00 0.00 0.00 179.25 179.08 1ied h ASP 491 N 0.66 -0.21 -0.71 0.00 3.45 -1.52 -2.01 116.42 116.07 1ied h ASP 491 Ca 0.11 0.03 0.03 0.00 0.43 0.00 0.00 57.03 57.63 1ied h ASP 491 Cb 0.64 0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 39.45 1ied h ASP 491 CO 0.04 -0.12 0.47 0.03 -1.57 0.00 0.00 179.24 178.09 1ied h ARG 492 N -0.15 0.83 -0.58 3.56 3.08 -1.01 -1.84 114.38 118.28 1ied h ARG 492 Ca 0.02 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1ied h ARG 492 Cb 0.17 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1ied h ARG 492 CO -0.06 0.55 0.36 -0.44 -1.07 0.00 0.00 179.97 179.32 1ied h ASP 493 N 0.86 0.69 -0.73 7.04 3.32 -0.50 0.58 116.42 127.68 1ied h ASP 493 Ca 0.28 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 1ied h ASP 493 Cb 0.06 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1ied h ASP 493 CO -0.08 0.53 0.25 1.23 -1.72 0.00 0.00 179.24 179.45 1ied h GLY 494 N 0.79 1.21 0.93 2.75 0.00 -0.66 -1.70 103.07 106.39 1ied h GLY 494 Ca 0.21 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 1ied h GLY 494 CO -0.04 0.65 -0.05 1.41 0.00 0.00 0.00 176.54 178.51 1ied h LEU 495 N 1.09 0.67 -0.17 3.11 3.38 -1.01 -3.05 115.31 119.32 1ied h LEU 495 Ca 0.24 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1ied h LEU 495 Cb 0.28 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1ied h LEU 495 CO -0.01 0.85 0.05 -0.09 0.09 0.00 0.00 178.44 179.33 1ied h ARG 496 N 0.47 0.13 -0.98 1.13 2.43 -0.65 -0.71 114.38 116.20 1ied h ARG 496 Ca 0.10 -0.01 0.22 0.00 -0.81 0.00 0.00 59.98 59.48 1ied h ARG 496 Cb 0.53 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.97 1ied h ARG 496 CO 0.03 0.09 0.63 0.00 -1.51 0.00 0.00 179.97 179.20 1ied h ALA 497 N 1.11 2.07 0.37 2.80 0.00 -1.30 -1.08 119.26 123.22 1ied h ALA 497 Ca 0.07 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ied h ALA 497 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ied h ALA 497 CO -0.08 -0.42 -0.18 1.96 0.00 0.00 0.00 179.25 180.54 1ied h GLN 498 N 0.50 -0.48 -0.14 0.00 4.20 -1.06 -3.29 115.11 114.85 1ied h GLN 498 Ca 0.54 0.03 0.04 0.00 0.06 0.00 0.00 58.65 59.32 1ied h GLN 498 Cb 1.20 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 1ied h GLN 498 CO -0.27 -0.32 0.12 0.11 -0.67 0.00 0.00 178.83 177.80 1ied h TRP 499 N -0.83 0.00 0.00 2.96 5.08 -0.96 0.36 115.95 122.56 1ied h TRP 499 Ca -0.05 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.92 1ied h TRP 499 Cb 0.38 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.54 1ied h TRP 499 CO 0.04 0.00 0.00 1.04 -1.28 0.00 0.00 178.44 178.24 1ied n GLN 500 N -4.19 0.38 -3.44 0.12 6.02 -0.44 -5.06 117.38 110.77 1ied n GLN 500 Ca 0.00 0.07 -0.43 0.00 -0.01 0.00 0.00 57.00 56.63 1ied n GLN 500 Cb 0.24 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.94 1ied n GLN 500 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1ied s ARG 501 N -2.36 2.97 0.00 -1.09 0.52 0.11 -5.09 118.95 114.01 1ied s ARG 501 Ca 0.21 -2.07 0.00 0.00 -0.52 0.00 0.00 55.73 53.35 1ied s ARG 501 Cb 0.12 -4.15 0.00 0.00 0.52 0.00 0.00 34.95 31.44 1ied s ARG 501 CO 0.25 -1.26 0.00 0.43 0.02 0.00 0.00 175.30 174.75 1ied n SER 504 N 4.52 -1.90 -4.94 0.23 7.64 -1.26 -5.01 113.62 112.90 1ied n SER 504 Ca -0.01 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1ied n SER 504 Cb 0.42 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 63.12 1ied n SER 504 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ied s THR 505 N -2.92 5.30 0.14 0.44 -4.23 -1.26 -5.02 115.64 108.09 1ied s THR 505 Ca 0.00 -0.60 -0.05 0.00 -1.18 0.00 0.00 61.69 59.86 1ied s THR 505 Cb 0.00 -3.74 -0.14 0.00 1.34 0.00 0.00 72.50 69.96 1ied s THR 505 CO 0.00 -0.10 1.36 0.00 -0.54 0.00 0.00 174.62 175.34 1ied h ALA 506 N 2.14 0.45 -0.93 3.99 0.00 -2.02 -3.20 119.26 119.68 1ied h ALA 506 Ca -0.48 -0.64 0.07 0.00 0.00 0.00 0.00 54.91 53.86 1ied h ALA 506 Cb 1.19 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1ied h ALA 506 CO 0.69 0.76 0.59 0.28 0.00 0.00 0.00 179.25 181.56 1ied h VAL 507 N 0.33 1.04 -3.61 0.00 2.07 -1.95 -3.49 116.25 110.65 1ied h VAL 507 Ca -0.05 -0.36 -0.67 0.00 0.82 0.00 0.00 66.70 66.44 1ied h VAL 507 Cb 1.41 -0.10 -0.25 0.00 -1.52 0.00 0.00 31.29 30.83 1ied h VAL 507 CO 0.15 0.19 -0.61 -1.81 0.02 0.00 0.00 177.57 175.50 1ied s ASP 508 N -5.81 5.17 0.00 0.57 -0.00 -1.21 -4.48 116.67 110.90 1ied s ASP 508 Ca -0.12 -0.56 0.00 0.00 -0.00 0.00 0.00 52.55 51.87 1ied s ASP 508 Cb 0.20 -1.91 0.00 0.00 -0.00 0.00 0.00 42.92 41.21 1ied s ASP 508 CO 0.80 -0.15 0.00 0.61 -0.00 0.00 0.00 175.17 176.43 1ied n GLY 511 N 4.90 -0.92 3.62 0.21 0.00 -1.26 -4.51 105.19 107.23 1ied n GLY 511 Ca -0.15 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1ied n GLY 511 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ied s ASP 512 N -1.64 6.78 0.00 1.61 -1.08 -1.26 -4.92 116.67 116.15 1ied s ASP 512 Ca 0.00 0.83 0.29 0.00 -0.52 0.00 0.00 52.55 53.15 1ied s ASP 512 Cb 0.00 -2.47 1.51 0.00 -1.46 0.00 0.00 42.92 40.50 1ied s ASP 512 CO 0.00 -0.73 2.01 -0.81 0.52 0.00 0.00 175.17 176.16 1ied n PRO 513 N 6.48 0.51 -2.47 4.34 -0.04 -1.26 -4.85 135.00 137.71 1ied n PRO 513 Ca 0.07 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.12 1ied n PRO 513 Cb 0.48 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 1ied n PRO 513 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1ied s PHE 514 N -2.46 3.22 -0.25 0.54 2.19 -1.05 -4.25 117.98 115.93 1ied s PHE 514 Ca 0.31 1.24 0.13 0.00 0.33 0.00 0.00 56.93 58.94 1ied s PHE 514 Cb 0.19 -3.41 0.46 0.00 -1.31 0.00 0.00 43.02 38.96 1ied s PHE 514 CO 0.42 -1.25 1.17 0.54 1.83 0.00 0.00 175.22 177.93 1ied n ARG 515 N 5.11 2.58 -1.00 10.12 1.74 0.66 -4.98 116.66 130.89 1ied n ARG 515 Ca 0.11 -3.72 0.00 0.00 -0.77 0.00 0.00 57.85 53.47 1ied n ARG 515 Cb 0.46 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 1ied n ARG 515 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ied n SER 516 N -0.66 0.79 -2.57 0.55 2.88 -0.68 -4.78 113.62 109.16 1ied n SER 516 Ca 0.28 -0.50 -0.10 0.00 -1.33 0.00 0.00 58.87 57.22 1ied n SER 516 Cb 0.90 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.35 1ied n SER 516 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1ied n ASP 517 N -1.11 -1.37 -0.37 -3.46 5.68 -1.26 -5.00 116.55 109.66 1ied n ASP 517 Ca 0.00 -2.46 0.02 0.00 -0.50 0.00 0.00 54.79 51.85 1ied n ASP 517 Cb 0.00 2.44 0.17 0.00 -1.14 0.00 0.00 41.12 42.59 1ied n ASP 517 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1ied h SER 518 N 1.61 1.05 -0.99 -1.12 4.64 -1.98 -0.60 113.55 116.16 1ied h SER 518 Ca -0.24 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.13 1ied h SER 518 Cb 0.98 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 62.79 1ied h SER 518 CO 0.32 0.69 0.64 1.88 -0.87 0.00 0.00 176.83 179.49 1ied h TYR 519 N 1.20 1.20 -0.18 4.77 0.05 -1.98 0.34 116.97 122.36 1ied h TYR 519 Ca 0.42 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 59.22 1ied h TYR 519 Cb 0.11 -0.40 -0.01 0.00 1.01 0.00 0.00 36.73 37.45 1ied h TYR 519 CO -0.00 0.65 0.06 0.78 -1.05 0.00 0.00 178.16 178.61 1ied h GLY 520 N 1.20 0.30 1.07 3.88 0.00 -1.54 -0.29 103.07 107.69 1ied h GLY 520 Ca 0.41 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.52 1ied h GLY 520 CO -0.15 0.16 0.29 1.41 0.00 0.00 0.00 176.54 178.26 1ied h LEU 521 N 0.13 1.09 -0.80 3.11 3.38 -0.55 -2.42 115.31 119.25 1ied h LEU 521 Ca 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1ied h LEU 521 Cb 0.21 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1ied h LEU 521 CO -0.00 0.98 0.47 0.25 0.09 0.00 0.00 178.44 180.23 1ied h LEU 522 N 1.15 0.97 -1.01 1.67 5.85 -0.11 -0.84 115.31 122.99 1ied h LEU 522 Ca 0.26 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1ied h LEU 522 Cb 0.24 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1ied h LEU 522 CO -0.02 0.76 0.60 1.23 -0.34 0.00 0.00 178.44 180.67 1ied h GLY 523 N 1.10 1.36 1.82 3.75 0.00 -0.66 -2.33 103.07 108.11 1ied h GLY 523 Ca 0.28 -0.54 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 1ied h GLY 523 CO -0.05 0.53 -0.47 -0.57 0.00 0.00 0.00 176.54 175.98 1ied h ASN 524 N 1.30 0.21 -0.39 0.19 -1.24 -0.92 -3.22 115.58 111.50 1ied h ASN 524 Ca 0.34 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.26 1ied h ASN 524 Cb -0.10 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 38.88 1ied h ASN 524 CO -0.07 0.65 0.26 0.77 -1.29 0.00 0.00 177.43 177.75 1ied h SER 525 N 0.16 0.45 0.44 1.15 4.64 -0.59 -1.98 113.55 117.82 1ied h SER 525 Ca 0.01 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 1ied h SER 525 Cb 0.89 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 1ied h SER 525 CO 0.07 0.33 -0.58 1.62 -0.87 0.00 0.00 176.83 177.40 1ied h VAL 526 N 0.53 1.39 -0.71 0.95 3.04 -1.58 -2.90 116.25 116.98 1ied h VAL 526 Ca 0.14 -1.96 -0.04 0.00 -1.01 0.00 0.00 66.70 63.84 1ied h VAL 526 Cb -0.06 2.01 -0.03 0.00 -2.01 0.00 0.00 31.29 31.19 1ied h VAL 526 CO -0.03 0.57 0.29 0.44 -1.01 0.00 0.00 177.57 177.83 1ied h ASP 527 N 0.11 0.96 -0.36 3.17 3.45 -1.47 -2.39 116.42 119.89 1ied h ASP 527 Ca -0.00 -0.13 -0.04 0.00 0.43 0.00 0.00 57.03 57.28 1ied h ASP 527 Cb 1.06 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.56 1ied h ASP 527 CO 0.08 0.85 0.09 0.00 -1.57 0.00 0.00 179.24 178.69 1ied h ALA 528 N 1.29 1.34 -0.08 3.45 0.00 -1.30 -2.69 119.26 121.28 1ied h ALA 528 Ca 0.24 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ied h ALA 528 Cb 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ied h ALA 528 CO -0.02 0.47 0.11 -0.07 0.00 0.00 0.00 179.25 179.74 1ied h LEU 529 N 0.63 0.00 -3.23 0.00 3.38 -1.33 -2.47 115.31 112.30 1ied h LEU 529 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ied h LEU 529 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ied h LEU 529 CO 0.00 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.31 1ied n TYR 530 N -3.59 1.07 -2.72 1.13 4.01 -1.02 -4.93 117.16 111.11 1ied n TYR 530 Ca -0.01 -0.77 -0.42 0.00 -0.16 0.00 0.00 57.90 56.54 1ied n TYR 530 Cb 0.21 -0.29 -0.03 0.00 -0.31 0.00 0.00 39.34 38.92 1ied n TYR 530 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ied s ILE 531 N -2.44 4.80 0.35 -0.72 -1.09 -0.93 -5.00 121.20 116.17 1ied s ILE 531 Ca 0.42 1.97 -0.25 0.00 -2.23 0.00 0.00 60.65 60.56 1ied s ILE 531 Cb 0.32 -4.28 -0.10 0.00 -1.58 0.00 0.00 42.46 36.82 1ied s ILE 531 CO 0.12 0.00 0.98 -0.60 -1.23 0.00 0.00 174.94 174.22 1ied s ARG 532 N 2.07 4.45 -1.46 2.79 6.06 -1.26 -3.46 118.95 128.14 1ied s ARG 532 Ca 0.46 1.39 0.00 0.00 -2.50 0.00 0.00 55.73 55.08 1ied s ARG 532 Cb -0.18 -2.71 0.00 0.00 0.06 0.00 0.00 34.95 32.12 1ied s ARG 532 CO 0.17 0.14 0.00 0.39 -2.50 0.00 0.00 175.30 173.50 1ied n GLU 533 N 0.34 -1.34 -0.13 5.12 -0.58 -1.26 -4.90 120.64 117.89 1ied n GLU 533 Ca 0.03 0.97 -0.12 0.00 -0.42 0.00 0.00 57.16 57.61 1ied n GLU 533 Cb 0.50 -5.22 -0.09 0.00 -0.57 0.00 0.00 31.44 26.06 1ied n GLU 533 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1ied h ARG 534 N 0.04 -0.33 -0.57 3.49 2.43 -1.96 0.27 114.38 117.74 1ied h ARG 534 Ca -0.28 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 58.84 1ied h ARG 534 Cb 1.09 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 1ied h ARG 534 CO 0.41 -0.22 0.08 -0.07 -1.51 0.00 0.00 179.97 178.67 1ied h LEU 535 N -0.34 0.88 -0.75 3.80 3.38 -1.90 -1.26 115.31 119.11 1ied h LEU 535 Ca 0.07 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1ied h LEU 535 Cb 0.52 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1ied h LEU 535 CO -0.54 0.89 -0.16 -0.65 0.09 0.00 0.00 178.44 178.07 1ied h PRO 536 N 0.87 0.78 -0.35 1.13 0.11 -1.80 0.78 132.00 133.52 1ied h PRO 536 Ca 0.18 -0.28 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 1ied h PRO 536 Cb 0.40 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 1ied h PRO 536 CO 0.01 0.89 0.14 0.87 -0.21 0.00 0.00 178.00 179.70 1ied h LYS 537 N 0.70 0.52 -0.66 1.05 1.57 -0.25 0.40 116.57 119.90 1ied h LYS 537 Ca 0.11 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1ied h LYS 537 Cb 0.65 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1ied h LYS 537 CO 0.05 0.52 0.13 -0.07 -0.57 0.00 0.00 179.45 179.51 1ied h LEU 538 N 0.41 1.02 -0.76 2.94 4.07 -1.02 0.18 115.31 122.16 1ied h LEU 538 Ca 0.12 -0.25 -0.12 0.00 0.08 0.00 0.00 57.88 57.70 1ied h LEU 538 Cb 0.19 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 1ied h LEU 538 CO -0.01 1.01 -0.40 0.03 -1.08 0.00 0.00 178.44 177.99 1ied h ARG 539 N 1.00 0.47 -0.38 1.13 3.08 -0.68 -1.21 114.38 117.78 1ied h ARG 539 Ca 0.20 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1ied h ARG 539 Cb 0.40 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1ied h ARG 539 CO 0.01 0.79 -0.03 -0.92 -1.07 0.00 0.00 179.97 178.75 1ied h TYR 540 N 0.39 0.76 -0.35 3.04 3.20 -0.54 -2.60 116.97 120.87 1ied h TYR 540 Ca 0.04 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1ied h TYR 540 Cb 0.87 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 1ied h TYR 540 CO 0.03 0.79 0.23 -0.44 -1.64 0.00 0.00 178.16 177.13 1ied h ASP 541 N 0.50 0.40 -0.78 -2.11 3.32 -0.74 -1.42 116.42 115.59 1ied h ASP 541 Ca 0.10 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.21 1ied h ASP 541 Cb 0.51 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.90 1ied h ASP 541 CO 0.02 0.29 0.46 0.50 -1.72 0.00 0.00 179.24 178.79 1ied h LYS 542 N 0.47 0.80 -0.18 3.56 3.64 -1.12 -1.65 116.57 122.10 1ied h LYS 542 Ca 0.13 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.27 1ied h LYS 542 Cb -0.05 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 1ied h LYS 542 CO -0.03 0.53 -0.67 0.37 -2.27 0.00 0.00 179.45 177.39 1ied h GLN 543 N 0.82 0.68 -0.77 1.90 5.75 -1.26 -2.49 115.11 119.74 1ied h GLN 543 Ca 0.36 -0.49 -0.00 0.00 -0.15 0.00 0.00 58.65 58.36 1ied h GLN 543 Cb 0.23 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.83 1ied h GLN 543 CO -0.20 1.11 0.46 1.25 -2.65 0.00 0.00 178.83 178.81 1ied h LEU 544 N 0.49 0.93 -1.51 -2.39 5.85 -0.66 -2.79 115.31 115.23 1ied h LEU 544 Ca -0.02 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1ied h LEU 544 Cb 1.26 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1ied h LEU 544 CO 0.13 0.72 0.00 1.33 -0.34 0.00 0.00 178.44 180.28 1ied n VAL 545 N -4.49 0.29 -1.28 1.05 0.24 -0.67 -4.96 118.33 108.52 1ied n VAL 545 Ca 0.07 -0.47 -0.10 0.00 -2.04 0.00 0.00 64.34 61.80 1ied n VAL 545 Cb 0.06 0.60 -0.04 0.00 -1.47 0.00 0.00 33.84 32.99 1ied n VAL 545 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ied n GLY 546 N 1.25 1.06 0.10 7.63 0.00 -1.02 -4.16 105.19 110.05 1ied n GLY 546 Ca 0.17 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1ied n GLY 546 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ied n VAL 547 N -2.55 0.84 0.24 1.61 0.31 -0.97 -1.33 118.33 116.49 1ied n VAL 547 Ca -0.10 0.21 0.13 0.00 -0.01 0.00 0.00 64.34 64.58 1ied n VAL 547 Cb 0.40 -1.09 0.52 0.00 -0.91 0.00 0.00 33.84 32.76 1ied n VAL 547 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1ied h THR 548 N 0.00 0.25 0.00 2.52 1.35 -1.89 -3.08 112.91 112.07 1ied h THR 548 Ca 0.00 -0.86 -0.15 0.00 -0.55 0.00 0.00 66.41 64.85 1ied h THR 548 Cb 0.36 1.69 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 1ied h THR 548 CO 0.00 0.10 -0.69 -0.33 -0.25 0.00 0.00 175.52 174.35 1ied h GLU 549 N 0.00 0.00 -5.98 4.72 5.08 -1.54 -3.45 114.58 113.40 1ied h GLU 549 Ca -0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1ied h GLU 549 Cb 0.69 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.77 1ied h GLU 549 CO 0.01 0.69 -0.77 -0.98 -1.00 0.00 0.00 179.01 176.97 1ied s ARG 550 N -3.42 1.40 0.39 2.33 1.70 -1.16 -5.13 118.95 115.06 1ied s ARG 550 Ca -0.01 -1.54 -0.25 0.00 -0.47 0.00 0.00 55.73 53.45 1ied s ARG 550 Cb 0.12 -1.43 -0.09 0.00 -0.57 0.00 0.00 34.95 32.98 1ied s ARG 550 CO 0.77 0.28 1.14 -1.21 -1.08 0.00 0.00 175.30 175.20 1ied s GLU 551 N -3.15 4.14 0.31 3.89 8.01 -1.26 -4.89 118.70 125.75 1ied s GLU 551 Ca 0.21 1.77 -0.11 0.00 0.01 0.00 0.00 54.97 56.85 1ied s GLU 551 Cb -0.05 -2.71 0.04 0.00 -4.31 0.00 0.00 34.13 27.11 1ied s GLU 551 CO 0.09 -0.22 0.60 -1.13 0.01 0.00 0.00 175.26 174.61 1ied n SER 552 N 0.17 -1.76 -0.69 -0.19 3.41 -1.26 -4.99 113.62 108.31 1ied n SER 552 Ca 0.04 -2.27 0.11 0.00 -0.26 0.00 0.00 58.87 56.49 1ied n SER 552 Cb 0.47 2.94 0.34 0.00 -0.26 0.00 0.00 64.21 67.70 1ied n SER 552 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1ied n TYR 553 N -0.42 0.23 -1.67 7.33 4.01 -1.26 -4.67 117.16 120.71 1ied n TYR 553 Ca -0.06 -0.11 -0.46 0.00 -0.16 0.00 0.00 57.90 57.10 1ied n TYR 553 Cb 0.47 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.46 1ied n TYR 553 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1ied n VAL 554 N 0.61 0.14 0.07 -0.72 0.31 -1.26 -4.74 118.33 112.74 1ied n VAL 554 Ca 0.17 -0.04 0.11 0.00 -0.01 0.00 0.00 64.34 64.57 1ied n VAL 554 Cb 0.41 -1.50 -0.04 0.00 -0.91 0.00 0.00 33.84 31.79 1ied n VAL 554 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1ied n LYS 555 N 3.17 0.62 0.00 5.55 4.76 -1.26 -5.04 118.16 125.96 1ied n LYS 555 Ca 0.16 0.05 0.12 0.00 -2.87 0.00 0.00 58.31 55.77 1ied n LYS 555 Cb 0.29 -1.75 0.70 0.00 -1.84 0.00 0.00 35.03 32.42 1ied n LYS 555 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03