#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkk h GLN 306 N 0.00 0.00 0.19 5.31 -0.00 -2.05 -1.08 115.11 117.48 1nkk h GLN 306 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.65 58.31 1nkk h GLN 306 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.49 1nkk h GLN 306 CO 0.00 0.00 -1.65 1.96 -0.00 0.00 0.00 178.83 179.14 1nkk h GLN 307 N 0.00 0.40 -0.57 0.06 4.20 -2.04 -2.59 115.11 114.57 1nkk h GLN 307 Ca 0.00 -0.68 0.09 0.00 0.06 0.00 0.00 58.65 58.12 1nkk h GLN 307 Cb 0.25 0.25 -0.07 0.00 0.30 0.00 0.00 27.48 28.21 1nkk h GLN 307 CO 0.00 1.31 0.18 1.03 -0.67 0.00 0.00 178.83 180.68 1nkk h SER 308 N 0.11 0.15 1.19 1.46 0.87 -1.63 0.14 113.55 115.84 1nkk h SER 308 Ca -0.31 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1nkk h SER 308 Cb 2.10 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 64.14 1nkk h SER 308 CO 0.20 0.10 -0.10 0.00 -0.53 0.00 0.00 176.83 176.49 1nkk n GLN 309 N -5.03 0.16 0.06 2.24 10.64 -0.95 -3.35 117.38 121.14 1nkk n GLN 309 Ca 0.07 0.12 -0.17 0.00 -1.83 0.00 0.00 57.00 55.19 1nkk n GLN 309 Cb 0.26 -1.67 -0.08 0.00 -0.86 0.00 0.00 30.24 27.89 1nkk n GLN 309 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1nkk h ALA 310 N 2.71 0.22 -0.34 2.61 0.00 -0.38 -3.20 119.26 120.87 1nkk h ALA 310 Ca 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1nkk h ALA 310 Cb 0.65 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1nkk h ALA 310 CO 0.00 0.75 0.02 1.33 0.00 0.00 0.00 179.25 181.35 1nkk n VAL 311 N -3.80 1.63 -1.54 0.00 0.24 -0.13 -4.85 118.33 109.88 1nkk n VAL 311 Ca -0.09 -0.82 -0.30 0.00 -2.04 0.00 0.00 64.34 61.08 1nkk n VAL 311 Cb 0.87 -0.39 0.08 0.00 -1.47 0.00 0.00 33.84 32.92 1nkk n VAL 311 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nkk s ALA 312 N -2.01 2.40 0.66 2.33 0.00 -1.21 -4.93 121.76 118.99 1nkk s ALA 312 Ca 0.31 -0.07 -0.17 0.00 0.00 0.00 0.00 51.96 52.03 1nkk s ALA 312 Cb 0.24 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 20.17 1nkk s ALA 312 CO 0.09 -1.55 0.61 -2.30 0.00 0.00 0.00 175.76 172.61 1nkk n PRO 313 N -3.33 0.46 -4.19 0.00 -0.02 -1.26 -5.00 135.00 121.66 1nkk n PRO 313 Ca 0.07 0.19 -0.24 0.00 -2.02 0.00 0.00 63.50 61.51 1nkk n PRO 313 Cb 0.55 -1.86 -0.17 0.00 -0.02 0.00 0.00 33.50 32.01 1nkk n PRO 313 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nkk s VAL 314 N -1.79 0.88 0.23 -1.45 1.01 -0.76 -4.86 120.40 113.67 1nkk s VAL 314 Ca 0.69 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 62.28 1nkk s VAL 314 Cb -0.39 -0.88 -0.07 0.00 0.00 0.00 0.00 36.38 35.04 1nkk s VAL 314 CO 0.55 0.32 0.57 -0.31 0.00 0.00 0.00 175.10 176.23 1nkk s TYR 315 N 1.19 3.44 -0.02 5.22 1.51 0.16 -0.32 117.35 128.53 1nkk s TYR 315 Ca -0.06 0.95 0.01 0.00 -1.01 0.00 0.00 57.07 56.96 1nkk s TYR 315 Cb -0.14 -2.31 0.01 0.00 -0.11 0.00 0.00 41.96 39.41 1nkk s TYR 315 CO -0.02 0.27 -0.02 0.54 -1.11 0.00 0.00 175.55 175.21 1nkk s VAL 316 N -1.79 0.24 0.11 0.71 0.11 -0.12 0.31 120.40 119.98 1nkk s VAL 316 Ca 0.47 -0.04 -0.01 0.00 -2.93 0.00 0.00 61.98 59.48 1nkk s VAL 316 Cb -0.12 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 1nkk s VAL 316 CO 0.20 0.12 0.02 -0.83 -3.33 0.00 0.00 175.10 171.28 1nkk s GLY 317 N 0.49 0.88 0.00 6.54 0.00 -0.22 0.08 107.32 115.10 1nkk s GLY 317 Ca -0.05 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.25 1nkk s GLY 317 CO -0.01 -1.38 0.00 0.61 0.00 0.00 0.00 173.10 172.32 1nkk n GLY 318 N -0.06 2.14 3.75 0.20 0.00 -1.09 -1.49 105.19 108.63 1nkk n GLY 318 Ca -0.08 -1.28 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 1nkk n GLY 318 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nkk s PHE 319 N -1.98 3.95 -0.34 1.61 0.40 -1.26 -1.51 117.98 118.85 1nkk s PHE 319 Ca 0.00 1.88 0.23 0.00 -0.60 0.00 0.00 56.93 58.44 1nkk s PHE 319 Cb 0.00 -2.98 0.11 0.00 0.51 0.00 0.00 43.02 40.65 1nkk s PHE 319 CO 0.00 0.41 1.17 -0.07 0.70 0.00 0.00 175.22 177.43 1nkk h LEU 320 N 4.45 0.00 -7.00 -0.37 3.38 -1.03 -3.38 115.31 111.36 1nkk h LEU 320 Ca -0.45 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.49 1nkk h LEU 320 Cb 1.20 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.74 1nkk h LEU 320 CO 0.69 0.02 0.36 0.00 0.09 0.00 0.00 178.44 179.59 1nkk s ALA 321 N -3.31 -1.85 -0.24 1.53 0.00 -1.22 -4.61 121.76 112.07 1nkk s ALA 321 Ca 0.02 1.46 0.02 0.00 0.00 0.00 0.00 51.96 53.46 1nkk s ALA 321 Cb 0.10 -0.37 0.05 0.00 0.00 0.00 0.00 23.12 22.90 1nkk s ALA 321 CO 0.76 -0.34 -0.12 1.03 0.00 0.00 0.00 175.76 177.10 1nkk s ARG 322 N -1.11 2.26 0.43 0.00 0.52 -1.26 -1.40 118.95 118.39 1nkk s ARG 322 Ca -0.06 -1.16 0.17 0.00 -0.52 0.00 0.00 55.73 54.16 1nkk s ARG 322 Cb -0.00 -2.74 1.09 0.00 0.52 0.00 0.00 34.95 33.81 1nkk s ARG 322 CO 0.06 -0.50 1.91 1.88 0.02 0.00 0.00 175.30 178.67 1nkk h TYR 323 N 7.85 0.46 0.00 -0.53 0.05 -1.57 0.51 116.97 123.74 1nkk h TYR 323 Ca -0.24 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.55 1nkk h TYR 323 Cb 1.07 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.66 1nkk h TYR 323 CO 0.58 0.16 0.00 0.38 -1.05 0.00 0.00 178.16 178.23 1nkk h ASP 324 N 0.38 0.00 -3.16 3.88 -0.00 -1.93 -3.43 116.42 112.16 1nkk h ASP 324 Ca 0.39 0.00 -0.61 0.00 -0.00 0.00 0.00 57.03 56.81 1nkk h ASP 324 Cb 0.95 0.00 -0.10 0.00 -0.00 0.00 0.00 39.33 40.17 1nkk h ASP 324 CO -0.12 0.00 -0.43 -1.10 -0.00 0.00 0.00 179.24 177.59 1nkk s GLN 325 N -3.48 4.07 -0.30 4.15 -1.52 0.17 -5.06 119.66 117.68 1nkk s GLN 325 Ca 0.03 -0.09 -0.14 0.00 -1.95 0.00 0.00 55.36 53.21 1nkk s GLN 325 Cb 0.09 -3.38 -0.03 0.00 -0.22 0.00 0.00 33.01 29.47 1nkk s GLN 325 CO 0.54 0.38 0.34 0.45 -0.25 0.00 0.00 175.29 176.75 1nkk s SER 326 N 0.10 6.19 1.19 5.90 0.15 -1.26 -4.82 113.70 121.16 1nkk s SER 326 Ca 0.12 0.06 -0.18 0.00 0.70 0.00 0.00 55.95 56.65 1nkk s SER 326 Cb -0.12 -2.19 0.24 0.00 -1.71 0.00 0.00 66.02 62.24 1nkk s SER 326 CO 0.01 -0.22 0.51 -0.81 1.20 0.00 0.00 173.24 173.93 1nkk n PRO 327 N 5.31 -3.00 0.00 5.44 -0.04 -1.26 -4.94 135.00 136.51 1nkk n PRO 327 Ca -0.09 -0.88 0.11 0.00 -0.04 0.00 0.00 63.50 62.59 1nkk n PRO 327 Cb 0.50 -1.73 -0.03 0.00 -0.04 0.00 0.00 33.50 32.21 1nkk n PRO 327 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1nkk n ASP 328 N -3.14 0.89 -4.02 3.54 8.00 -1.26 -4.89 116.55 115.66 1nkk n ASP 328 Ca 0.07 -0.83 -0.19 0.00 0.71 0.00 0.00 54.79 54.56 1nkk n ASP 328 Cb 0.50 0.81 -0.15 0.00 -0.02 0.00 0.00 41.12 42.26 1nkk n ASP 328 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1nkk s GLU 329 N -2.99 0.75 0.35 -1.24 2.12 -1.26 -5.02 118.70 111.41 1nkk s GLU 329 Ca 0.09 -0.32 0.26 0.00 0.36 0.00 0.00 54.97 55.35 1nkk s GLU 329 Cb 0.16 -0.72 1.26 0.00 0.26 0.00 0.00 34.13 35.09 1nkk s GLU 329 CO 0.82 0.19 1.78 0.00 -0.54 0.00 0.00 175.26 177.51 1nkk h ALA 330 N 5.96 1.00 -0.00 6.30 0.00 -2.00 -0.01 119.26 130.51 1nkk h ALA 330 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1nkk h ALA 330 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1nkk h ALA 330 CO 0.50 0.00 -0.05 0.54 0.00 0.00 0.00 179.25 180.23 1nkk n ARG 331 N -2.40 0.79 0.00 0.00 1.74 -1.26 -2.97 116.66 112.56 1nkk n ARG 331 Ca -0.00 -0.19 0.12 0.00 -0.77 0.00 0.00 57.85 57.00 1nkk n ARG 331 Cb 0.12 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.13 1nkk n ARG 331 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1nkk n LEU 332 N -0.94 2.66 -4.73 0.55 4.77 -0.02 -4.87 117.00 114.43 1nkk n LEU 332 Ca 0.17 -0.91 -0.42 0.00 -0.03 0.00 0.00 56.01 54.81 1nkk n LEU 332 Cb 0.24 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1nkk n LEU 332 CO 0.22 0.46 1.18 0.18 -1.33 0.00 0.00 177.39 178.10 1nkk n LEU 333 N 0.87 4.12 -2.80 2.23 4.32 -1.16 -4.84 117.00 119.74 1nkk n LEU 333 Ca 0.12 1.15 -0.03 0.00 -0.02 0.00 0.00 56.01 57.24 1nkk n LEU 333 Cb 0.55 -1.56 0.01 0.00 -1.62 0.00 0.00 43.42 40.81 1nkk n LEU 333 CO 0.20 0.01 0.23 -0.22 -1.22 0.00 0.00 177.39 176.38 1nkk s LEU 334 N -0.48 -1.09 0.63 2.23 2.96 -1.26 -4.93 118.68 116.74 1nkk s LEU 334 Ca 0.64 -1.14 -0.10 0.00 -0.22 0.00 0.00 54.13 53.30 1nkk s LEU 334 Cb -0.53 1.43 -0.02 0.00 0.50 0.00 0.00 46.19 47.57 1nkk s LEU 334 CO 0.50 -0.06 1.02 -2.16 -1.32 0.00 0.00 176.35 174.33 1nkk s PRO 335 N 1.11 3.26 0.42 0.98 0.04 -1.26 -4.80 135.00 134.76 1nkk s PRO 335 Ca 0.25 0.52 0.18 0.00 0.04 0.00 0.00 61.00 61.99 1nkk s PRO 335 Cb 0.03 -2.11 1.09 0.00 0.04 0.00 0.00 34.50 33.55 1nkk s PRO 335 CO -0.07 -0.71 1.87 -0.09 0.04 0.00 0.00 177.00 178.04 1nkk h ARG 336 N -0.37 0.38 0.07 4.56 2.43 -1.99 -2.00 114.38 117.46 1nkk h ARG 336 Ca -0.45 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 58.71 1nkk h ARG 336 Cb 1.22 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1nkk h ARG 336 CO 0.62 0.25 -0.09 0.38 -1.51 0.00 0.00 179.97 179.63 1nkk h ASP 337 N 0.39 -0.24 0.01 -3.80 -0.00 -1.99 -1.28 116.42 109.50 1nkk h ASP 337 Ca 0.45 0.03 -0.00 0.00 -0.00 0.00 0.00 57.03 57.50 1nkk h ASP 337 Cb 1.12 0.09 0.00 0.00 -0.00 0.00 0.00 39.33 40.54 1nkk h ASP 337 CO -0.16 -0.14 -0.00 0.58 -0.00 0.00 0.00 179.24 179.52 1nkk h VAL 338 N -0.19 1.15 -0.23 4.15 2.07 -1.77 -2.35 116.25 119.08 1nkk h VAL 338 Ca 0.01 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.12 1nkk h VAL 338 Cb 0.20 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 1nkk h VAL 338 CO -0.04 0.12 -0.13 0.58 0.02 0.00 0.00 177.57 178.11 1nkk h VAL 339 N -0.21 0.60 -0.17 2.57 2.07 -1.33 -0.04 116.25 119.74 1nkk h VAL 339 Ca -0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1nkk h VAL 339 Cb 0.21 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1nkk h VAL 339 CO 0.00 0.00 -0.19 -0.33 0.02 0.00 0.00 177.57 177.07 1nkk h GLU 340 N -0.12 0.29 -0.09 1.57 5.08 -1.24 0.12 114.58 120.20 1nkk h GLU 340 Ca 0.13 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1nkk h GLU 340 Cb 0.31 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1nkk h GLU 340 CO -0.30 0.48 -0.05 1.25 -1.00 0.00 0.00 179.01 179.39 1nkk h HIS 341 N 0.27 0.22 -0.64 4.33 2.76 -0.94 -2.41 115.15 118.73 1nkk h HIS 341 Ca 0.05 -0.06 0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1nkk h HIS 341 Cb 0.50 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.37 1nkk h HIS 341 CO 0.01 0.57 0.41 -1.49 -1.30 0.00 0.00 177.93 176.13 1nkk h TRP 342 N -0.19 0.78 -0.15 5.26 6.55 -0.72 -0.89 115.95 126.58 1nkk h TRP 342 Ca 0.02 0.02 0.03 0.00 0.95 0.00 0.00 58.89 59.90 1nkk h TRP 342 Cb 0.51 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 28.53 1nkk h TRP 342 CO 0.07 0.47 -0.00 -0.07 -1.05 0.00 0.00 178.44 177.85 1nkk h LEU 343 N 0.82 -0.07 -1.92 -4.49 3.38 -0.74 0.18 115.31 112.47 1nkk h LEU 343 Ca 0.25 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1nkk h LEU 343 Cb -0.04 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1nkk h LEU 343 CO -0.08 -0.01 0.00 -0.74 0.09 0.00 0.00 178.44 177.70 1nkk h HIS 344 N 0.04 0.00 0.26 1.13 2.76 -1.02 -2.93 115.15 115.40 1nkk h HIS 344 Ca 0.07 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 1nkk h HIS 344 Cb 0.09 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.05 1nkk h HIS 344 CO -0.16 0.00 -0.12 0.00 -1.30 0.00 0.00 177.93 176.35 1nkk h ALA 345 N 2.04 -0.35 -1.91 5.26 0.00 0.43 -3.51 119.26 121.22 1nkk h ALA 345 Ca 0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 54.91 54.40 1nkk h ALA 345 Cb 0.20 0.13 0.19 0.00 0.00 0.00 0.00 17.79 18.32 1nkk h ALA 345 CO 0.00 -0.33 0.28 -0.65 0.00 0.00 0.00 179.25 178.56 1nkk s GLN 346 N -2.73 -0.59 0.01 0.00 -0.21 -0.64 -5.00 119.66 110.50 1nkk s GLN 346 Ca -0.06 -0.37 -0.00 0.00 0.02 0.00 0.00 55.36 54.95 1nkk s GLN 346 Cb 0.00 -1.70 0.00 0.00 1.00 0.00 0.00 33.01 32.32 1nkk s GLN 346 CO 0.17 -3.24 0.01 0.28 -2.12 0.00 0.00 175.29 170.39 1nkk n VAL 355 N -4.36 -9.88 -3.30 1.09 0.31 -1.26 -5.06 118.33 95.86 1nkk n VAL 355 Ca 0.16 2.33 -0.33 0.00 -0.01 0.00 0.00 64.34 66.48 1nkk n VAL 355 Cb 0.59 -4.90 -0.06 0.00 -0.91 0.00 0.00 33.84 28.57 1nkk n VAL 355 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nkk s ALA 356 N -0.44 3.50 0.20 3.52 0.00 -1.26 -5.04 121.76 122.22 1nkk s ALA 356 Ca -0.01 -0.12 -0.31 0.00 0.00 0.00 0.00 51.96 51.53 1nkk s ALA 356 Cb 0.00 -2.57 -0.10 0.00 0.00 0.00 0.00 23.12 20.45 1nkk s ALA 356 CO 0.02 0.44 1.50 -0.51 0.00 0.00 0.00 175.76 177.21 1nkk s LEU 357 N -2.55 4.38 0.78 0.00 1.43 -1.26 -4.82 118.68 116.63 1nkk s LEU 357 Ca 0.46 2.62 -0.10 0.00 -1.03 0.00 0.00 54.13 56.07 1nkk s LEU 357 Cb -0.12 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 42.55 1nkk s LEU 357 CO 0.20 -0.76 1.09 -2.16 0.23 0.00 0.00 176.35 174.95 1nkk s PRO 358 N 0.52 2.23 -0.23 1.29 0.04 -1.26 0.31 135.00 137.89 1nkk s PRO 358 Ca 0.65 1.18 0.02 0.00 0.04 0.00 0.00 61.00 62.89 1nkk s PRO 358 Cb -0.42 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.27 1nkk s PRO 358 CO 0.36 -1.67 -0.12 -1.17 0.04 0.00 0.00 177.00 174.44 1nkk s LEU 359 N -5.94 2.81 0.39 -3.56 2.96 -0.99 -2.32 118.68 112.02 1nkk s LEU 359 Ca 0.61 -1.10 0.05 0.00 -0.22 0.00 0.00 54.13 53.47 1nkk s LEU 359 Cb -0.17 -1.42 -0.06 0.00 0.50 0.00 0.00 46.19 45.04 1nkk s LEU 359 CO 0.56 -0.15 0.04 0.54 -1.32 0.00 0.00 176.35 176.02 1nkk s ASN 360 N 1.24 3.26 -0.19 3.68 2.20 -0.77 0.26 114.94 124.63 1nkk s ASN 360 Ca -0.04 -1.43 -0.20 0.00 -0.94 0.00 0.00 52.86 50.25 1nkk s ASN 360 Cb -0.18 -0.11 -0.03 0.00 -2.00 0.00 0.00 41.25 38.93 1nkk s ASN 360 CO -0.07 -0.59 0.60 -0.63 -2.94 0.00 0.00 177.10 173.46 1nkk s ILE 361 N -2.99 5.05 -1.68 0.54 -1.09 -0.05 -0.59 121.20 120.40 1nkk s ILE 361 Ca 0.31 1.12 -0.12 0.00 -2.23 0.00 0.00 60.65 59.74 1nkk s ILE 361 Cb 0.08 -3.91 0.11 0.00 -1.58 0.00 0.00 42.46 37.16 1nkk s ILE 361 CO 0.15 0.14 0.40 -3.20 -1.23 0.00 0.00 174.94 171.20 1nkk n ASN 362 N 4.88 -0.92 -2.56 3.58 5.15 0.18 -0.58 115.26 124.97 1nkk n ASN 362 Ca -0.03 -1.19 -0.20 0.00 -0.60 0.00 0.00 54.58 52.56 1nkk n ASN 362 Cb 0.50 -1.97 0.00 0.00 -0.53 0.00 0.00 39.78 37.78 1nkk n ASN 362 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1nkk n HIS 363 N -4.34 -1.29 -3.22 1.20 8.25 -1.26 -4.95 115.22 109.61 1nkk n HIS 363 Ca -0.10 0.12 -0.44 0.00 -0.26 0.00 0.00 57.72 57.05 1nkk n HIS 363 Cb 0.57 -3.87 -0.07 0.00 1.12 0.00 0.00 29.99 27.74 1nkk n HIS 363 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1nkk s ASP 364 N -2.20 6.21 0.28 0.41 -1.08 0.25 -4.93 116.67 115.61 1nkk s ASP 364 Ca 0.08 -0.90 0.15 0.00 -0.52 0.00 0.00 52.55 51.36 1nkk s ASP 364 Cb -0.03 -2.26 0.82 0.00 -1.46 0.00 0.00 42.92 39.98 1nkk s ASP 364 CO 0.09 -0.79 1.40 -0.90 0.52 0.00 0.00 175.17 175.50 1nkk n ASP 365 N 5.92 0.39 -0.13 -0.34 5.68 -1.26 0.30 116.55 127.11 1nkk n ASP 365 Ca -0.07 0.63 0.10 0.00 -0.50 0.00 0.00 54.79 54.94 1nkk n ASP 365 Cb 0.46 -0.64 -0.08 0.00 -1.14 0.00 0.00 41.12 39.72 1nkk n ASP 365 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1nkk n THR 366 N -2.05 0.00 -2.25 2.12 -2.24 -1.26 -4.43 114.28 104.17 1nkk n THR 366 Ca -0.01 -0.10 -0.32 0.00 -2.27 0.00 0.00 64.05 61.35 1nkk n THR 366 Cb 0.16 1.07 0.02 0.00 -2.10 0.00 0.00 70.33 69.48 1nkk n THR 366 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nkk n ALA 367 N -1.07 5.63 -2.67 6.98 0.00 0.15 0.10 120.51 129.62 1nkk n ALA 367 Ca 0.05 -4.23 -0.42 0.00 0.00 0.00 0.00 53.44 48.84 1nkk n ALA 367 Cb 0.35 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 1nkk n ALA 367 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nkk s VAL 368 N -5.35 4.83 -0.32 0.00 1.01 -1.24 -0.87 120.40 118.46 1nkk s VAL 368 Ca 0.50 1.81 0.05 0.00 0.00 0.00 0.00 61.98 64.34 1nkk s VAL 368 Cb 0.42 -4.21 0.13 0.00 0.00 0.00 0.00 36.38 32.71 1nkk s VAL 368 CO -0.27 -0.00 1.10 1.33 0.00 0.00 0.00 175.10 177.26 1nkk n VAL 369 N 4.74 1.08 0.00 2.92 0.24 0.14 -2.37 118.33 125.07 1nkk n VAL 369 Ca 0.07 -1.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.28 1nkk n VAL 369 Cb 0.48 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 33.30 1nkk n VAL 369 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nkk n GLY 370 N -0.21 -0.69 3.55 7.63 0.00 -0.92 -1.25 105.19 113.32 1nkk n GLY 370 Ca 0.05 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 1nkk n GLY 370 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1nkk s HIS 371 N -3.10 -0.42 -0.11 1.61 -3.43 -1.05 -2.36 115.29 106.44 1nkk s HIS 371 Ca 0.00 0.15 -0.20 0.00 -0.80 0.00 0.00 55.06 54.20 1nkk s HIS 371 Cb 0.00 0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 31.71 1nkk s HIS 371 CO 0.00 -0.92 0.56 0.08 -2.00 0.00 0.00 174.74 172.46 1nkk s VAL 372 N -3.72 5.13 -0.12 -5.38 1.01 0.15 -1.13 120.40 116.33 1nkk s VAL 372 Ca 0.04 1.14 0.15 0.00 0.00 0.00 0.00 61.98 63.31 1nkk s VAL 372 Cb -0.02 -3.90 -0.24 0.00 0.00 0.00 0.00 36.38 32.22 1nkk s VAL 372 CO -0.07 0.28 0.38 0.00 0.00 0.00 0.00 175.10 175.69 1nkk n ALA 373 N 3.84 1.49 -3.17 5.51 0.00 0.27 -4.26 120.51 124.19 1nkk n ALA 373 Ca -0.05 -1.03 -0.13 0.00 0.00 0.00 0.00 53.44 52.23 1nkk n ALA 373 Cb 0.51 -0.53 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 1nkk n ALA 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nkk s ALA 374 N -2.55 -0.64 -0.03 0.00 0.00 0.21 -3.38 121.76 115.36 1nkk s ALA 374 Ca -0.07 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.36 1nkk s ALA 374 Cb 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1nkk s ALA 374 CO 0.83 -0.18 -0.06 -1.64 0.00 0.00 0.00 175.76 174.70 1nkk s MET 375 N -0.60 0.80 -0.22 0.00 1.00 -1.26 0.58 119.30 119.61 1nkk s MET 375 Ca -0.07 -0.16 -0.13 0.00 0.00 0.00 0.00 55.69 55.33 1nkk s MET 375 Cb -0.04 -0.79 0.07 0.00 0.00 0.00 0.00 34.83 34.07 1nkk s MET 375 CO 0.02 -0.01 0.54 -1.14 0.00 0.00 0.00 175.02 174.43 1nkk s GLN 376 N 0.59 0.54 -0.14 2.03 0.74 0.14 -4.92 119.66 118.65 1nkk s GLN 376 Ca -0.08 0.99 -0.24 0.00 0.05 0.00 0.00 55.36 56.08 1nkk s GLN 376 Cb -0.12 0.06 -0.02 0.00 1.10 0.00 0.00 33.01 34.03 1nkk s GLN 376 CO 0.00 -0.15 0.75 0.45 -0.55 0.00 0.00 175.29 175.79 1nkk s SER 377 N 1.49 6.92 0.43 6.67 0.15 -1.26 -0.62 113.70 127.47 1nkk s SER 377 Ca -0.10 1.12 0.03 0.00 0.70 0.00 0.00 55.95 57.71 1nkk s SER 377 Cb -0.07 -2.42 -0.03 0.00 -1.71 0.00 0.00 66.02 61.79 1nkk s SER 377 CO -0.16 -0.27 0.06 0.68 1.20 0.00 0.00 173.24 174.75 1nkk s VAL 378 N 1.61 1.08 0.14 4.45 -7.23 0.51 -4.97 120.40 115.99 1nkk s VAL 378 Ca 0.36 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.27 1nkk s VAL 378 Cb -0.17 -2.43 -0.06 0.00 0.56 0.00 0.00 36.38 34.28 1nkk s VAL 378 CO 0.14 0.00 1.31 -1.14 -0.31 0.00 0.00 175.10 175.10 1nkk n ARG 379 N -1.01 -0.37 0.00 4.82 0.63 -1.26 -1.96 116.66 117.51 1nkk n ARG 379 Ca -0.10 1.28 0.13 0.00 -0.92 0.00 0.00 57.85 58.25 1nkk n ARG 379 Cb 0.66 -1.89 0.51 0.00 0.45 0.00 0.00 32.46 32.19 1nkk n ARG 379 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1nkk n ASP 380 N -5.05 0.22 0.00 6.15 9.92 -1.26 -4.90 116.55 121.63 1nkk n ASP 380 Ca 0.02 0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 1nkk n ASP 380 Cb 0.22 -0.20 0.00 0.00 -0.64 0.00 0.00 41.12 40.50 1nkk n ASP 380 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nkk n GLY 381 N 1.46 -1.14 3.62 0.44 0.00 -0.83 -1.46 105.19 107.28 1nkk n GLY 381 Ca 0.08 -1.10 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 1nkk n GLY 381 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nkk s LEU 382 N 0.00 4.06 -0.06 0.99 2.96 -0.49 -0.36 118.68 125.77 1nkk s LEU 382 Ca 0.00 0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 1nkk s LEU 382 Cb 0.00 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 1nkk s LEU 382 CO 0.00 -0.17 -0.06 0.12 -1.32 0.00 0.00 176.35 174.93 1nkk s PHE 383 N 1.93 2.96 0.01 5.38 2.19 0.21 -0.34 117.98 130.32 1nkk s PHE 383 Ca 0.16 0.04 0.03 0.00 0.33 0.00 0.00 56.93 57.49 1nkk s PHE 383 Cb -0.16 -1.71 -0.01 0.00 -1.31 0.00 0.00 43.02 39.83 1nkk s PHE 383 CO 0.09 0.36 -0.10 0.00 1.83 0.00 0.00 175.22 177.40 1nkk s LEU 385 N -0.53 2.98 0.27 0.00 1.98 0.20 -2.68 118.68 120.90 1nkk s LEU 385 Ca 0.02 -0.25 0.03 0.00 -2.89 0.00 0.00 54.13 51.04 1nkk s LEU 385 Cb -0.05 -1.71 -0.06 0.00 0.66 0.00 0.00 46.19 45.04 1nkk s LEU 385 CO 0.00 0.14 0.03 -0.83 -1.89 0.00 0.00 176.35 173.80 1nkk s GLY 386 N 0.55 1.76 -0.07 7.98 0.00 0.11 0.97 107.32 118.62 1nkk s GLY 386 Ca -0.05 -1.88 -0.03 0.00 0.00 0.00 0.00 44.72 42.76 1nkk s GLY 386 CO 0.03 -1.70 0.14 0.00 0.00 0.00 0.00 173.10 171.57 1nkk s VAL 388 N 2.22 4.61 -0.01 0.00 1.01 0.57 -2.53 120.40 126.26 1nkk s VAL 388 Ca 0.03 1.50 0.02 0.00 0.00 0.00 0.00 61.98 63.53 1nkk s VAL 388 Cb -0.12 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 1nkk s VAL 388 CO -0.05 -0.42 0.01 0.35 0.00 0.00 0.00 175.10 174.99 1nkk n THR 389 N 5.78 0.09 -1.35 3.92 -2.24 -0.38 -1.83 114.28 118.27 1nkk n THR 389 Ca 0.09 -0.07 -0.55 0.00 -2.27 0.00 0.00 64.05 61.25 1nkk n THR 389 Cb 0.47 -0.65 -0.09 0.00 -2.10 0.00 0.00 70.33 67.96 1nkk n THR 389 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1nkk n SER 390 N -1.95 1.47 -0.23 3.42 2.88 -0.99 -4.84 113.62 113.37 1nkk n SER 390 Ca -0.02 0.53 0.03 0.00 -1.33 0.00 0.00 58.87 58.07 1nkk n SER 390 Cb 0.45 -1.09 0.27 0.00 -0.75 0.00 0.00 64.21 63.08 1nkk n SER 390 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1nkk h PRO 391 N 10.83 0.93 -0.15 -1.46 0.11 -1.93 -1.49 132.00 138.85 1nkk h PRO 391 Ca -0.19 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 1nkk h PRO 391 Cb 1.37 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1nkk h PRO 391 CO 1.06 0.62 0.07 0.00 -0.21 0.00 0.00 178.00 179.54 1nkk h ARG 392 N 0.96 0.21 -0.35 1.05 3.08 -1.98 -1.63 114.38 115.72 1nkk h ARG 392 Ca 0.31 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.30 1nkk h ARG 392 Cb 0.04 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1nkk h ARG 392 CO -0.09 0.24 0.11 0.35 -1.07 0.00 0.00 179.97 179.52 1nkk h PHE 393 N 0.12 0.56 -0.84 3.04 3.57 -1.89 -2.33 116.94 119.18 1nkk h PHE 393 Ca 0.05 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1nkk h PHE 393 Cb 0.10 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 1nkk h PHE 393 CO -0.03 0.54 0.55 -0.07 -2.23 0.00 0.00 178.31 177.07 1nkk h LEU 394 N 0.41 0.90 -0.53 0.59 3.38 -1.19 -1.13 115.31 117.73 1nkk h LEU 394 Ca 0.11 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1nkk h LEU 394 Cb 0.25 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1nkk h LEU 394 CO -0.00 0.62 -0.15 -0.08 0.09 0.00 0.00 178.44 178.91 1nkk h GLU 395 N 1.04 1.03 -0.06 1.13 4.57 -1.11 0.11 114.58 121.29 1nkk h GLU 395 Ca 0.33 -0.41 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1nkk h GLU 395 Cb 0.02 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1nkk h GLU 395 CO -0.10 1.10 0.04 0.82 -1.18 0.00 0.00 179.01 179.69 1nkk h ILE 396 N 0.90 1.06 -0.42 2.32 2.04 -0.82 -0.80 117.51 121.79 1nkk h ILE 396 Ca 0.13 -0.18 0.05 0.00 1.00 0.00 0.00 64.86 65.86 1nkk h ILE 396 Cb 0.73 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 1nkk h ILE 396 CO 0.06 0.06 0.16 0.58 0.00 0.00 0.00 178.15 179.00 1nkk h VAL 397 N 0.03 0.88 -0.26 1.67 2.07 -1.06 -1.55 116.25 118.03 1nkk h VAL 397 Ca 0.02 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.48 1nkk h VAL 397 Cb 0.06 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 1nkk h VAL 397 CO -0.00 0.06 -0.05 -0.09 0.02 0.00 0.00 177.57 177.51 1nkk h ARG 398 N 0.33 0.02 -0.24 1.57 2.43 -0.34 0.65 114.38 118.80 1nkk h ARG 398 Ca 0.20 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1nkk h ARG 398 Cb 0.17 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1nkk h ARG 398 CO -0.19 0.01 0.03 0.00 -1.51 0.00 0.00 179.97 178.31 1nkk h ARG 399 N 0.02 0.11 -0.69 0.20 2.47 -0.57 -2.75 114.38 113.17 1nkk h ARG 399 Ca 0.13 -0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.78 1nkk h ARG 399 Cb 0.19 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.45 1nkk h ARG 399 CO -0.26 0.07 0.19 0.00 0.56 0.00 0.00 179.97 180.54 1nkk h ALA 400 N 1.18 1.02 -0.33 0.04 0.00 -0.83 -2.71 119.26 117.64 1nkk h ALA 400 Ca 0.11 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.88 1nkk h ALA 400 Cb 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1nkk h ALA 400 CO -0.16 0.65 0.27 0.66 0.00 0.00 0.00 179.25 180.66 1nkk h SER 401 N 1.04 0.00 1.15 0.00 4.64 -0.58 0.64 113.55 120.44 1nkk h SER 401 Ca 0.22 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 1nkk h SER 401 Cb 0.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1nkk h SER 401 CO -0.00 0.00 -0.06 -0.33 -0.87 0.00 0.00 176.83 175.57 1nkk h GLU 402 N 0.00 0.00 -0.54 4.77 4.39 -1.36 -3.07 114.58 118.77 1nkk h GLU 402 Ca 0.16 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.74 1nkk h GLU 402 Cb 0.69 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.27 1nkk h GLU 402 CO -0.00 0.06 0.11 1.63 -1.16 0.00 0.00 179.01 179.65 1nkk n LYS 403 N -3.16 3.52 -3.96 2.33 4.76 0.22 -4.90 118.16 116.97 1nkk n LYS 403 Ca 0.01 -3.05 -0.34 0.00 -2.87 0.00 0.00 58.31 52.05 1nkk n LYS 403 Cb 0.37 -2.08 -0.14 0.00 -1.84 0.00 0.00 35.03 31.34 1nkk n LYS 403 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1nkk s SER 404 N -1.41 4.37 0.53 4.39 0.15 -1.10 -4.95 113.70 115.68 1nkk s SER 404 Ca 0.50 -0.91 0.29 0.00 0.70 0.00 0.00 55.95 56.53 1nkk s SER 404 Cb 0.41 -1.67 1.48 0.00 -1.71 0.00 0.00 66.02 64.53 1nkk s SER 404 CO 0.11 -0.14 2.07 -0.33 1.20 0.00 0.00 173.24 176.16 1nkk h GLU 405 N 8.01 0.00 -0.35 5.44 3.07 -1.90 -0.20 114.58 128.65 1nkk h GLU 405 Ca -0.31 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.50 1nkk h GLU 405 Cb 1.10 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 1nkk h GLU 405 CO 0.57 0.11 0.03 1.25 -1.40 0.00 0.00 179.01 179.57 1nkk h LEU 406 N 0.00 0.57 -1.04 1.33 5.85 -1.95 -1.90 115.31 118.17 1nkk h LEU 406 Ca -0.00 -0.28 -0.10 0.00 0.84 0.00 0.00 57.88 58.34 1nkk h LEU 406 Cb 0.34 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1nkk h LEU 406 CO 0.01 0.71 -0.47 0.58 -0.34 0.00 0.00 178.44 178.94 1nkk h VAL 407 N 0.41 1.31 0.00 1.05 2.07 -1.58 -2.94 116.25 116.57 1nkk h VAL 407 Ca 0.10 -1.63 -0.03 0.00 0.82 0.00 0.00 66.70 65.96 1nkk h VAL 407 Cb 0.40 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1nkk h VAL 407 CO 0.01 0.46 -0.16 0.28 0.02 0.00 0.00 177.57 178.18 1nkk h SER 408 N 0.00 0.00 0.97 0.57 0.02 -0.64 -2.76 113.55 111.71 1nkk h SER 408 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1nkk h SER 408 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1nkk h SER 408 CO 0.06 0.16 0.00 0.03 -1.14 0.00 0.00 176.83 175.94 1nkk h ARG 409 N 0.00 0.00 0.00 3.45 3.08 -1.17 -3.49 114.38 116.25 1nkk h ARG 409 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nkk h ARG 409 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1nkk h ARG 409 CO 0.02 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 1nkk n GLY 410 N 0.24 -1.84 3.92 0.04 0.00 -1.04 -5.01 105.19 101.50 1nkk n GLY 410 Ca 0.02 -1.51 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 1nkk n GLY 410 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1nkk s PRO 411 N -1.89 1.93 1.17 1.61 0.02 -1.26 -5.01 135.00 131.58 1nkk s PRO 411 Ca 0.00 -0.13 -0.19 0.00 0.02 0.00 0.00 61.00 60.70 1nkk s PRO 411 Cb 0.00 -2.04 0.28 0.00 0.02 0.00 0.00 34.50 32.76 1nkk s PRO 411 CO 0.00 -1.52 1.16 0.14 -0.33 0.00 0.00 177.00 176.46 1nkk s VAL 412 N -3.45 1.65 0.00 3.83 -7.23 -1.26 -4.86 120.40 109.07 1nkk s VAL 412 Ca 0.62 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.79 1nkk s VAL 412 Cb -0.10 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.24 1nkk s VAL 412 CO 0.47 0.00 0.00 -0.24 -0.31 0.00 0.00 175.10 175.02 1nkk n SER 413 N -4.61 0.00 -0.99 4.85 2.88 -1.26 -1.99 113.62 112.50 1nkk n SER 413 Ca 0.15 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.77 1nkk n SER 413 Cb 0.60 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.29 1nkk n SER 413 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1nkk n PRO 414 N 0.00 2.82 -2.34 -1.46 -0.04 -1.26 -4.98 135.00 127.73 1nkk n PRO 414 Ca 0.00 -2.36 -0.36 0.00 -0.04 0.00 0.00 63.50 60.74 1nkk n PRO 414 Cb 0.00 -1.42 -0.01 0.00 -0.04 0.00 0.00 33.50 32.02 1nkk n PRO 414 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nkk s LEU 415 N -1.01 3.91 0.11 1.53 1.43 -0.84 -5.01 118.68 118.80 1nkk s LEU 415 Ca 0.36 2.17 -0.15 0.00 -1.03 0.00 0.00 54.13 55.48 1nkk s LEU 415 Cb 0.19 -4.40 -0.07 0.00 0.03 0.00 0.00 46.19 41.94 1nkk s LEU 415 CO 0.24 -0.94 0.53 0.00 0.23 0.00 0.00 176.35 176.41 1nkk s GLN 416 N -2.95 4.01 0.37 1.70 -2.07 -1.26 -4.73 119.66 114.73 1nkk s GLN 416 Ca 0.66 0.53 -0.28 0.00 -1.82 0.00 0.00 55.36 54.45 1nkk s GLN 416 Cb -0.24 -3.03 -0.11 0.00 -1.09 0.00 0.00 33.01 28.53 1nkk s GLN 416 CO 0.29 0.54 1.38 -0.35 -1.32 0.00 0.00 175.29 175.83 1nkk n PRO 417 N 1.12 2.35 -3.22 9.60 -0.04 -1.26 -4.86 135.00 138.69 1nkk n PRO 417 Ca -0.07 0.83 -0.22 0.00 -0.04 0.00 0.00 63.50 63.99 1nkk n PRO 417 Cb 0.52 -2.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.41 1nkk n PRO 417 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1nkk n ASP 418 N 0.52 -0.97 -0.28 3.54 -0.08 -1.26 -5.03 116.55 112.99 1nkk n ASP 418 Ca 0.03 -2.57 0.11 0.00 -1.51 0.00 0.00 54.79 50.85 1nkk n ASP 418 Cb 0.38 -0.08 0.21 0.00 2.34 0.00 0.00 41.12 43.98 1nkk n ASP 418 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1nkk n LYS 419 N 2.53 -0.06 0.07 -0.67 5.02 -1.26 -0.45 118.16 123.33 1nkk n LYS 419 Ca 0.25 1.20 -0.12 0.00 -2.02 0.00 0.00 58.31 57.62 1nkk n LYS 419 Cb 0.51 -1.88 -0.08 0.00 -0.02 0.00 0.00 35.03 33.55 1nkk n LYS 419 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1nkk h VAL 420 N 0.00 0.92 -1.00 -0.18 2.07 -1.90 -0.93 116.25 115.23 1nkk h VAL 420 Ca 0.46 -0.99 0.09 0.00 0.82 0.00 0.00 66.70 67.09 1nkk h VAL 420 Cb 0.92 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 32.09 1nkk h VAL 420 CO -0.76 0.21 0.64 0.58 0.02 0.00 0.00 177.57 178.26 1nkk h VAL 421 N -0.75 1.01 -0.59 2.57 2.07 -1.61 -1.18 116.25 117.77 1nkk h VAL 421 Ca -0.02 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 1nkk h VAL 421 Cb 0.52 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1nkk h VAL 421 CO 0.04 0.20 0.12 -0.33 0.02 0.00 0.00 177.57 177.62 1nkk h GLU 422 N 1.09 0.92 -0.15 1.57 5.08 -0.75 -1.51 114.58 120.84 1nkk h GLU 422 Ca 0.46 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 1nkk h GLU 422 Cb 0.32 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1nkk h GLU 422 CO -0.21 0.84 -0.08 0.35 -1.00 0.00 0.00 179.01 178.91 1nkk h PHE 423 N 0.88 0.36 -0.93 4.33 3.57 -0.02 -1.62 116.94 123.50 1nkk h PHE 423 Ca 0.19 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1nkk h PHE 423 Cb 0.35 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 1nkk h PHE 423 CO 0.02 0.65 0.62 -0.07 -2.23 0.00 0.00 178.31 177.29 1nkk h LEU 424 N -0.03 1.04 0.17 0.59 3.38 -1.25 -0.98 115.31 118.23 1nkk h LEU 424 Ca 0.03 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1nkk h LEU 424 Cb 0.56 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1nkk h LEU 424 CO 0.02 0.74 -0.40 0.28 0.09 0.00 0.00 178.44 179.17 1nkk h SER 425 N 1.22 -1.17 0.27 -0.43 0.02 -0.95 -1.17 113.55 111.33 1nkk h SER 425 Ca 0.35 0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.38 1nkk h SER 425 Cb -0.07 0.43 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1nkk h SER 425 CO -0.09 -0.49 -0.23 1.23 -1.14 0.00 0.00 176.83 176.10 1nkk h GLY 426 N -0.67 0.00 0.32 -3.77 0.00 -0.65 -3.06 103.07 95.24 1nkk h GLY 426 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.03 1nkk h GLY 426 CO -0.21 0.00 -1.70 1.44 0.00 0.00 0.00 176.54 176.07 1nkk n SER 427 N -4.16 2.01 -3.58 0.19 7.64 -0.43 -4.53 113.62 110.75 1nkk n SER 427 Ca -0.02 0.30 -0.32 0.00 1.01 0.00 0.00 58.87 59.84 1nkk n SER 427 Cb 0.29 -0.90 -0.05 0.00 -1.01 0.00 0.00 64.21 62.54 1nkk n SER 427 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1nkk n TYR 428 N -3.91 3.26 1.27 1.43 4.02 -0.46 -3.80 117.16 118.97 1nkk n TYR 428 Ca -0.33 -3.70 0.10 0.00 -0.01 0.00 0.00 57.90 53.97 1nkk n TYR 428 Cb 0.89 -0.76 0.61 0.00 -0.02 0.00 0.00 39.34 40.06 1nkk n TYR 428 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1nkk n ALA 429 N 0.95 2.26 -2.28 -0.72 0.00 -0.87 -4.48 120.51 115.37 1nkk n ALA 429 Ca 0.29 -0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.45 1nkk n ALA 429 Cb 0.39 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.39 1nkk n ALA 429 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nkk s GLY 430 N -2.08 1.43 -0.02 0.00 0.00 0.27 -1.87 107.32 105.05 1nkk s GLY 430 Ca 0.30 -1.70 0.07 0.00 0.00 0.00 0.00 44.72 43.39 1nkk s GLY 430 CO 0.25 -1.57 -0.24 1.08 0.00 0.00 0.00 173.10 172.63 1nkk s LEU 431 N -3.24 2.19 -0.16 0.66 1.02 -0.82 -0.81 118.68 117.53 1nkk s LEU 431 Ca 0.29 -0.43 -0.04 0.00 0.02 0.00 0.00 54.13 53.97 1nkk s LEU 431 Cb 0.07 -1.38 0.06 0.00 0.02 0.00 0.00 46.19 44.95 1nkk s LEU 431 CO 0.08 0.32 0.08 -0.55 0.02 0.00 0.00 176.35 176.29 1nkk s SER 432 N -0.69 2.32 0.77 2.29 0.15 0.73 -4.06 113.70 115.22 1nkk s SER 432 Ca 0.10 -0.58 -0.11 0.00 0.70 0.00 0.00 55.95 56.07 1nkk s SER 432 Cb -0.10 -0.29 0.05 0.00 -1.71 0.00 0.00 66.02 63.97 1nkk s SER 432 CO -0.00 -0.33 1.08 -0.22 1.20 0.00 0.00 173.24 174.97 1nkk s LEU 433 N 2.10 2.91 -0.30 3.45 2.96 -1.26 -0.55 118.68 127.99 1nkk s LEU 433 Ca 0.02 1.67 -0.03 0.00 -0.22 0.00 0.00 54.13 55.57 1nkk s LEU 433 Cb -0.16 -4.37 0.10 0.00 0.50 0.00 0.00 46.19 42.26 1nkk s LEU 433 CO -0.08 -1.95 0.12 -0.55 -1.32 0.00 0.00 176.35 172.57 1nkk s SER 434 N -3.56 3.71 0.40 3.68 0.15 -0.39 -4.87 113.70 112.83 1nkk s SER 434 Ca 0.61 -1.44 0.04 0.00 0.70 0.00 0.00 55.95 55.85 1nkk s SER 434 Cb -0.16 -0.55 -0.05 0.00 -1.71 0.00 0.00 66.02 63.56 1nkk s SER 434 CO 0.56 -0.43 0.06 -0.94 1.20 0.00 0.00 173.24 173.68 1nkk s SER 435 N 1.89 3.11 0.58 5.45 1.04 -1.26 0.73 113.70 125.24 1nkk s SER 435 Ca 0.09 -1.50 -0.19 0.00 0.48 0.00 0.00 55.95 54.83 1nkk s SER 435 Cb -0.17 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 1nkk s SER 435 CO -0.32 -0.71 1.15 0.00 0.98 0.00 0.00 173.24 174.35 1nkk s ARG 436 N -3.81 3.13 -0.25 4.02 1.70 -0.42 -4.92 118.95 118.40 1nkk s ARG 436 Ca 0.27 1.65 -0.29 0.00 -0.47 0.00 0.00 55.73 56.89 1nkk s ARG 436 Cb 0.06 -1.97 -0.01 0.00 -0.57 0.00 0.00 34.95 32.46 1nkk s ARG 436 CO 0.13 -1.04 1.48 0.50 -1.08 0.00 0.00 175.30 175.29 1nkk s ARG 437 N -3.42 3.85 0.57 3.89 3.52 -1.26 -4.86 118.95 121.23 1nkk s ARG 437 Ca 0.73 1.48 0.26 0.00 -0.13 0.00 0.00 55.73 58.08 1nkk s ARG 437 Cb -0.26 -3.97 1.41 0.00 -1.56 0.00 0.00 34.95 30.58 1nkk s ARG 437 CO 0.31 -1.21 1.77 0.00 -0.81 0.00 0.00 175.30 175.36 1nkk n ASP 439 N -2.66 -2.33 -0.11 0.00 2.03 -1.26 -5.22 116.55 107.00 1nkk n ASP 439 Ca -0.02 -3.27 -0.21 0.00 0.52 0.00 0.00 54.79 51.81 1nkk n ASP 439 Cb 0.34 1.75 -0.10 0.00 -0.72 0.00 0.00 41.12 42.39 1nkk n ASP 439 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1nkk n GLU 451 N 0.83 0.55 -1.69 -0.67 2.13 -1.26 -5.23 120.64 115.30 1nkk n GLU 451 Ca 0.05 0.50 -0.25 0.00 0.66 0.00 0.00 57.16 58.12 1nkk n GLU 451 Cb 0.69 -1.68 0.06 0.00 0.27 0.00 0.00 31.44 30.77 1nkk n GLU 451 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1nkk n THR 452 N -4.42 2.87 -2.86 6.31 5.66 -1.26 -4.69 114.28 115.89 1nkk n THR 452 Ca -0.33 -3.69 -0.24 0.00 -3.05 0.00 0.00 64.05 56.74 1nkk n THR 452 Cb 0.67 -1.07 -0.03 0.00 -1.55 0.00 0.00 70.33 68.35 1nkk n THR 452 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1nkk n THR 453 N -0.82 2.29 -0.29 1.09 -2.24 -1.26 -3.96 114.28 109.09 1nkk n THR 453 Ca 0.49 -5.14 -0.11 0.00 -2.27 0.00 0.00 64.05 57.02 1nkk n THR 453 Cb 0.88 -1.07 -0.08 0.00 -2.10 0.00 0.00 70.33 67.97 1nkk n THR 453 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1nkk h PRO 454 N 2.90 -0.16 -6.88 -0.78 0.11 -1.89 -3.40 132.00 121.89 1nkk h PRO 454 Ca 0.15 0.01 -0.48 0.00 0.11 0.00 0.00 66.00 65.79 1nkk h PRO 454 Cb 0.71 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1nkk h PRO 454 CO 0.76 -0.11 0.40 -0.06 -0.21 0.00 0.00 178.00 178.77 1nkk s PHE 455 N -5.64 3.56 -0.11 0.65 0.08 -1.26 -1.31 117.98 113.95 1nkk s PHE 455 Ca -0.13 1.74 -0.04 0.00 0.12 0.00 0.00 56.93 58.61 1nkk s PHE 455 Cb 0.11 -3.07 -0.06 0.00 -0.57 0.00 0.00 43.02 39.43 1nkk s PHE 455 CO 0.63 -0.20 -0.14 1.63 -0.10 0.00 0.00 175.22 177.05 1nkk n LYS 456 N 0.60 0.25 -3.71 0.44 4.76 0.22 -4.96 118.16 115.77 1nkk n LYS 456 Ca 0.02 0.10 0.01 0.00 -2.87 0.00 0.00 58.31 55.56 1nkk n LYS 456 Cb 0.48 -0.99 -0.00 0.00 -1.84 0.00 0.00 35.03 32.68 1nkk n LYS 456 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 1nkk s HIS 457 N -2.21 -0.03 -0.02 2.13 -3.43 -1.13 -4.24 115.29 106.36 1nkk s HIS 457 Ca -0.16 -0.11 0.08 0.00 -0.80 0.00 0.00 55.06 54.07 1nkk s HIS 457 Cb 0.06 0.57 -0.02 0.00 -1.43 0.00 0.00 32.58 31.75 1nkk s HIS 457 CO 0.22 -0.37 -0.25 0.08 -2.00 0.00 0.00 174.74 172.42 1nkk s VAL 458 N -2.44 2.17 -0.07 -5.38 1.01 -0.98 -1.26 120.40 113.46 1nkk s VAL 458 Ca 0.17 -1.09 0.05 0.00 0.00 0.00 0.00 61.98 61.10 1nkk s VAL 458 Cb 0.03 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.64 1nkk s VAL 458 CO -0.02 0.56 -0.22 0.00 0.00 0.00 0.00 175.10 175.42 1nkk s ALA 459 N -0.64 1.93 0.24 5.51 0.00 0.28 -1.85 121.76 127.24 1nkk s ALA 459 Ca 0.10 -0.89 -0.28 0.00 0.00 0.00 0.00 51.96 50.89 1nkk s ALA 459 Cb -0.10 -0.66 -0.09 0.00 0.00 0.00 0.00 23.12 22.27 1nkk s ALA 459 CO -0.01 0.33 0.90 -0.51 0.00 0.00 0.00 175.76 176.47 1nkk s LEU 460 N 0.08 4.57 0.27 0.00 1.43 0.24 -0.19 118.68 125.09 1nkk s LEU 460 Ca -0.08 1.85 -0.20 0.00 -1.03 0.00 0.00 54.13 54.67 1nkk s LEU 460 Cb -0.14 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.46 1nkk s LEU 460 CO 0.05 0.12 0.70 0.00 0.23 0.00 0.00 176.35 177.44 1nkk h SER 462 N 2.02 0.00 -0.64 0.00 4.64 -1.84 0.79 113.55 118.52 1nkk h SER 462 Ca -0.20 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.36 1nkk h SER 462 Cb 1.25 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.06 1nkk h SER 462 CO 0.24 0.11 0.54 0.68 -0.87 0.00 0.00 176.83 177.54 1nkk s VAL 463 N -3.87 -0.09 0.71 0.95 -7.23 -1.26 -4.08 120.40 105.52 1nkk s VAL 463 Ca -0.01 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.05 1nkk s VAL 463 Cb 0.11 -1.00 0.02 0.00 0.56 0.00 0.00 36.38 36.07 1nkk s VAL 463 CO 0.58 0.00 1.07 -0.83 -0.31 0.00 0.00 175.10 175.61 1nkk s GLY 464 N 1.88 1.64 0.35 2.32 0.00 -1.26 -4.95 107.32 107.30 1nkk s GLY 464 Ca -0.02 -0.14 0.19 0.00 0.00 0.00 0.00 44.72 44.75 1nkk s GLY 464 CO -0.15 0.21 1.57 3.21 0.00 0.00 0.00 173.10 177.94 1nkk h ARG 465 N -0.74 0.00 -5.85 2.90 3.08 -1.99 -3.43 114.38 108.35 1nkk h ARG 465 Ca -0.45 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.02 1nkk h ARG 465 Cb 1.23 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.21 1nkk h ARG 465 CO 0.60 0.35 -0.11 1.03 -1.07 0.00 0.00 179.97 180.77 1nkk s ARG 466 N -3.18 4.29 0.69 0.04 0.52 -1.26 -4.83 118.95 115.21 1nkk s ARG 466 Ca 0.03 0.52 -0.12 0.00 -0.52 0.00 0.00 55.73 55.65 1nkk s ARG 466 Cb 0.08 -3.39 0.01 0.00 0.52 0.00 0.00 34.95 32.17 1nkk s ARG 466 CO 0.70 0.26 1.07 1.03 0.02 0.00 0.00 175.30 178.39 1nkk s ARG 467 N 0.26 2.84 0.00 3.54 1.81 -1.26 -3.63 118.95 122.51 1nkk s ARG 467 Ca 0.27 1.07 0.00 0.00 -1.72 0.00 0.00 55.73 55.36 1nkk s ARG 467 Cb -0.16 -1.97 0.00 0.00 -0.45 0.00 0.00 34.95 32.37 1nkk s ARG 467 CO 0.12 -1.18 0.00 0.41 -0.68 0.00 0.00 175.30 173.97 1nkk n GLY 468 N -1.55 0.85 1.39 -3.53 0.00 -1.26 -4.27 105.19 96.82 1nkk n GLY 468 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 1nkk n GLY 468 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nkk n THR 469 N -2.28 1.71 -1.69 2.61 -2.24 -1.24 -4.39 114.28 106.76 1nkk n THR 469 Ca 0.00 -0.61 -0.40 0.00 -2.27 0.00 0.00 64.05 60.77 1nkk n THR 469 Cb 0.00 -0.88 0.03 0.00 -2.10 0.00 0.00 70.33 67.39 1nkk n THR 469 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1nkk n LEU 470 N 0.05 4.32 -4.36 3.22 7.94 -1.26 -1.95 117.00 124.96 1nkk n LEU 470 Ca 0.18 1.00 -0.35 0.00 -1.11 0.00 0.00 56.01 55.73 1nkk n LEU 470 Cb 0.83 -1.49 -0.14 0.00 0.53 0.00 0.00 43.42 43.16 1nkk n LEU 470 CO 0.19 -0.95 -0.37 0.00 -1.11 0.00 0.00 177.39 175.15 1nkk s ALA 471 N -1.30 2.88 -0.29 1.96 0.00 -0.78 -4.39 121.76 119.85 1nkk s ALA 471 Ca 0.68 -1.10 -0.08 0.00 0.00 0.00 0.00 51.96 51.46 1nkk s ALA 471 Cb -0.46 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 1nkk s ALA 471 CO 0.53 -0.31 0.11 0.08 0.00 0.00 0.00 175.76 176.17 1nkk s VAL 472 N 1.28 4.37 0.17 0.00 1.01 -0.56 -4.82 120.40 121.85 1nkk s VAL 472 Ca 0.03 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 1nkk s VAL 472 Cb -0.14 -3.17 -0.06 0.00 0.00 0.00 0.00 36.38 33.01 1nkk s VAL 472 CO -0.01 0.16 0.41 -0.31 0.00 0.00 0.00 175.10 175.35 1nkk s TYR 473 N 1.59 3.47 0.09 5.22 2.02 -1.26 -1.05 117.35 127.43 1nkk s TYR 473 Ca 0.05 0.58 -0.26 0.00 -0.37 0.00 0.00 57.07 57.07 1nkk s TYR 473 Cb -0.16 -2.03 0.08 0.00 -0.40 0.00 0.00 41.96 39.45 1nkk s TYR 473 CO 0.05 0.40 0.83 0.20 -1.57 0.00 0.00 175.55 175.45 1nkk s GLY 474 N -2.53 -0.41 0.09 0.71 0.00 0.15 -4.70 107.32 100.64 1nkk s GLY 474 Ca 0.42 0.57 0.26 0.00 0.00 0.00 0.00 44.72 45.96 1nkk s GLY 474 CO 0.25 0.18 1.57 0.54 0.00 0.00 0.00 173.10 175.63 1nkk n ARG 475 N -0.35 0.17 -4.11 2.90 5.12 -1.26 0.36 116.66 119.49 1nkk n ARG 475 Ca -0.09 0.08 -0.16 0.00 -1.93 0.00 0.00 57.85 55.75 1nkk n ARG 475 Cb 0.62 -1.64 -0.15 0.00 -1.16 0.00 0.00 32.46 30.13 1nkk n ARG 475 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1nkk s ASP 476 N -3.82 0.58 0.12 0.55 2.15 -1.26 -4.67 116.67 110.31 1nkk s ASP 476 Ca 0.10 -0.08 -0.22 0.00 0.43 0.00 0.00 52.55 52.77 1nkk s ASP 476 Cb 0.15 -0.13 -0.07 0.00 -0.30 0.00 0.00 42.92 42.58 1nkk s ASP 476 CO 0.65 0.02 1.69 1.55 -0.17 0.00 0.00 175.17 178.92 1nkk h PRO 477 N 6.32 -0.12 0.04 4.34 0.13 -1.95 -1.62 132.00 139.14 1nkk h PRO 477 Ca -0.31 0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.86 1nkk h PRO 477 Cb 1.18 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1nkk h PRO 477 CO 0.50 -0.08 -0.36 0.93 -0.23 0.00 0.00 178.00 178.76 1nkk h GLU 478 N -0.13 -0.52 -0.96 0.86 4.39 -1.99 -0.82 114.58 115.41 1nkk h GLU 478 Ca 0.06 0.04 0.21 0.00 0.34 0.00 0.00 59.36 60.01 1nkk h GLU 478 Cb 0.21 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 28.89 1nkk h GLU 478 CO -0.14 -0.35 0.62 2.35 -1.16 0.00 0.00 179.01 180.33 1nkk h TRP 479 N -0.54 0.71 0.44 4.33 7.01 -1.92 0.11 115.95 126.09 1nkk h TRP 479 Ca 0.05 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 1nkk h TRP 479 Cb 0.60 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.45 1nkk h TRP 479 CO -0.35 0.16 -0.21 0.28 -2.79 0.00 0.00 178.44 175.52 1nkk h VAL 480 N 0.51 0.21 -0.31 2.65 2.07 -0.24 -3.13 116.25 118.01 1nkk h VAL 480 Ca 0.53 -0.59 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1nkk h VAL 480 Cb 1.16 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1nkk h VAL 480 CO -0.26 0.05 0.26 0.71 0.02 0.00 0.00 177.57 178.35 1nkk h THR 481 N -1.08 0.64 0.00 2.57 1.35 -0.71 0.25 112.91 115.92 1nkk h THR 481 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1nkk h THR 481 Cb 0.53 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1nkk h THR 481 CO 0.10 0.00 0.00 1.67 -0.25 0.00 0.00 175.52 177.04 1nkk n GLN 482 N -4.13 0.72 0.11 4.72 -0.06 0.33 -3.00 117.38 116.07 1nkk n GLN 482 Ca 0.05 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.16 1nkk n GLN 482 Cb 0.42 -1.46 0.13 0.00 -4.06 0.00 0.00 30.24 25.28 1nkk n GLN 482 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1nkk h ARG 483 N 0.00 0.00 -4.59 3.69 -0.00 -0.50 -3.45 114.38 109.54 1nkk h ARG 483 Ca 0.00 0.00 -0.71 0.00 -0.50 0.00 0.00 59.98 58.77 1nkk h ARG 483 Cb 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 29.97 29.75 1nkk h ARG 483 CO 0.00 0.00 -0.48 -0.06 0.00 0.00 0.00 179.97 179.43 1nkk s PHE 484 N -3.24 3.23 0.51 3.04 0.40 -1.16 -4.42 117.98 116.35 1nkk s PHE 484 Ca 0.04 -0.69 0.18 0.00 -0.60 0.00 0.00 56.93 55.86 1nkk s PHE 484 Cb 0.11 -2.50 1.26 0.00 0.51 0.00 0.00 43.02 42.40 1nkk s PHE 484 CO 0.72 -0.57 2.10 -1.35 0.70 0.00 0.00 175.22 176.82 1nkk h PRO 485 N 8.51 0.06 0.09 0.24 0.11 -1.83 -2.77 132.00 136.42 1nkk h PRO 485 Ca -0.27 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.84 1nkk h PRO 485 Cb 1.12 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1nkk h PRO 485 CO 0.68 0.04 -0.11 -0.44 -0.21 0.00 0.00 178.00 177.96 1nkk h ASP 486 N 0.06 -0.29 -1.88 -2.05 3.32 -1.94 -3.43 116.42 110.21 1nkk h ASP 486 Ca 0.09 0.03 -0.65 0.00 0.02 0.00 0.00 57.03 56.52 1nkk h ASP 486 Cb 0.28 0.11 0.06 0.00 0.22 0.00 0.00 39.33 39.99 1nkk h ASP 486 CO -0.01 -0.17 0.52 0.18 -1.72 0.00 0.00 179.24 178.05 1nkk n LEU 487 N -5.23 2.03 -4.92 1.55 4.77 -1.05 -4.96 117.00 109.20 1nkk n LEU 487 Ca -0.07 1.11 -0.31 0.00 -0.03 0.00 0.00 56.01 56.71 1nkk n LEU 487 Cb 0.15 -1.26 -0.04 0.00 -2.33 0.00 0.00 43.42 39.94 1nkk n LEU 487 CO 0.31 -0.87 -0.11 0.42 -1.33 0.00 0.00 177.39 175.80 1nkk s THR 488 N 0.51 5.35 0.45 -5.08 -4.23 -1.26 -4.97 115.64 106.40 1nkk s THR 488 Ca 0.81 -0.32 0.30 0.00 -1.18 0.00 0.00 61.69 61.30 1nkk s THR 488 Cb -0.87 -3.63 0.50 0.00 1.34 0.00 0.00 72.50 69.83 1nkk s THR 488 CO 0.45 0.11 1.67 0.00 -0.54 0.00 0.00 174.62 176.31 1nkk h ALA 489 N 2.99 2.77 -0.57 3.99 0.00 -1.98 0.63 119.26 127.10 1nkk h ALA 489 Ca -0.45 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1nkk h ALA 489 Cb 1.16 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1nkk h ALA 489 CO 0.75 -1.32 0.10 0.00 0.00 0.00 0.00 179.25 178.77 1nkk h ALA 490 N 1.53 1.10 -0.54 0.00 0.00 -2.00 -2.66 119.26 116.70 1nkk h ALA 490 Ca 0.76 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.38 1nkk h ALA 490 Cb 2.44 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.98 1nkk h ALA 490 CO -0.32 0.59 0.12 -0.44 0.00 0.00 0.00 179.25 179.20 1nkk h ASP 491 N 0.86 0.82 0.02 0.00 3.45 -0.12 -2.37 116.42 119.09 1nkk h ASP 491 Ca 0.18 -0.24 -0.00 0.00 0.43 0.00 0.00 57.03 57.39 1nkk h ASP 491 Cb 0.37 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 38.92 1nkk h ASP 491 CO 0.01 0.85 -0.02 0.03 -1.57 0.00 0.00 179.24 178.54 1nkk h ARG 492 N 0.76 0.00 -0.22 3.56 3.08 -1.18 -1.46 114.38 118.91 1nkk h ARG 492 Ca 0.17 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.06 1nkk h ARG 492 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1nkk h ARG 492 CO 0.00 0.02 -0.52 -0.44 -1.07 0.00 0.00 179.97 177.97 1nkk h ASP 493 N 0.00 0.70 -0.02 7.04 3.32 -1.10 0.47 116.42 126.83 1nkk h ASP 493 Ca -0.00 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 56.68 1nkk h ASP 493 Cb 0.04 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 1nkk h ASP 493 CO 0.00 1.09 -0.00 1.23 -1.72 0.00 0.00 179.24 179.84 1nkk h GLY 494 N 0.98 0.04 0.90 2.75 0.00 -1.06 -0.68 103.07 106.00 1nkk h GLY 494 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1nkk h GLY 494 CO 0.10 0.03 -0.34 1.41 0.00 0.00 0.00 176.54 177.74 1nkk h LEU 495 N -0.29 -0.83 -0.90 3.11 3.38 -1.24 -1.98 115.31 116.57 1nkk h LEU 495 Ca 0.01 0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.18 1nkk h LEU 495 Cb 0.34 0.24 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 1nkk h LEU 495 CO 0.00 -0.54 0.48 -0.09 0.09 0.00 0.00 178.44 178.38 1nkk h ARG 496 N -0.86 0.63 -0.49 1.13 2.43 -0.07 0.62 114.38 117.76 1nkk h ARG 496 Ca -0.07 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1nkk h ARG 496 Cb 0.69 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.05 1nkk h ARG 496 CO 0.09 0.41 0.18 0.00 -1.51 0.00 0.00 179.97 179.15 1nkk h ALA 497 N 1.60 0.61 -1.22 2.80 0.00 -0.83 -1.95 119.26 120.27 1nkk h ALA 497 Ca 0.50 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1nkk h ALA 497 Cb 0.76 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1nkk h ALA 497 CO -0.38 -0.20 0.00 1.04 0.00 0.00 0.00 179.25 179.70 1nkk n GLN 498 N -4.99 0.00 0.23 0.00 6.02 0.19 -2.86 117.38 115.98 1nkk n GLN 498 Ca 0.05 0.30 0.14 0.00 -0.01 0.00 0.00 57.00 57.48 1nkk n GLN 498 Cb 0.19 -1.22 0.58 0.00 1.02 0.00 0.00 30.24 30.81 1nkk n GLN 498 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 1nkk h TRP 499 N 0.00 0.00 0.19 1.08 0.09 -0.89 0.44 115.95 116.87 1nkk h TRP 499 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 58.89 58.72 1nkk h TRP 499 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 29.16 29.27 1nkk h TRP 499 CO 0.11 0.00 -1.17 1.96 0.09 0.00 0.00 178.44 179.43 1nkk h GLN 500 N 0.00 0.41 0.00 0.12 4.20 -1.40 -3.21 115.11 115.24 1nkk h GLN 500 Ca 0.09 -0.70 -0.08 0.00 0.06 0.00 0.00 58.65 58.01 1nkk h GLN 500 Cb 1.28 0.26 -0.01 0.00 0.30 0.00 0.00 27.48 29.31 1nkk h GLN 500 CO -0.00 1.34 -0.40 -0.09 -0.67 0.00 0.00 178.83 179.00 1nkk h ARG 501 N -0.12 0.00 0.69 1.46 2.43 -0.81 -3.18 114.38 114.86 1nkk h ARG 501 Ca -0.21 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.93 1nkk h ARG 501 Cb 1.90 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.46 1nkk h ARG 501 CO 0.21 0.40 -0.33 0.00 -1.51 0.00 0.00 179.97 178.74 1nkk n GLY 503 N -1.22 1.45 0.00 0.00 0.00 -1.20 -5.11 105.19 99.11 1nkk n GLY 503 Ca -0.13 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1nkk n GLY 503 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nkk n GLY 511 N 0.00 0.11 3.50 -0.02 0.00 -1.26 -5.13 105.19 102.39 1nkk n GLY 511 Ca 0.00 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1nkk n GLY 511 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nkk s ASP 512 N -1.19 6.30 0.26 1.61 -1.08 -1.26 -4.91 116.67 116.39 1nkk s ASP 512 Ca 0.00 -0.47 0.24 0.00 -0.52 0.00 0.00 52.55 51.79 1nkk s ASP 512 Cb 0.00 -2.32 0.97 0.00 -1.46 0.00 0.00 42.92 40.11 1nkk s ASP 512 CO 0.00 -0.84 1.72 -0.81 0.52 0.00 0.00 175.17 175.76 1nkk n PRO 513 N 6.33 0.20 -2.06 4.34 -0.04 -1.26 -4.81 135.00 137.70 1nkk n PRO 513 Ca -0.02 0.41 -0.42 0.00 -0.04 0.00 0.00 63.50 63.43 1nkk n PRO 513 Cb 0.47 -1.87 -0.03 0.00 -0.04 0.00 0.00 33.50 32.03 1nkk n PRO 513 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1nkk s PHE 514 N -3.31 2.91 -0.23 0.54 2.19 -1.00 -4.34 117.98 114.74 1nkk s PHE 514 Ca 0.05 0.69 0.14 0.00 0.33 0.00 0.00 56.93 58.14 1nkk s PHE 514 Cb 0.09 -3.81 0.46 0.00 -1.31 0.00 0.00 43.02 38.46 1nkk s PHE 514 CO 0.40 -3.01 1.17 0.54 1.83 0.00 0.00 175.22 176.15 1nkk n ARG 515 N 4.67 2.31 -0.68 10.12 5.12 0.28 -4.97 116.66 133.51 1nkk n ARG 515 Ca 0.13 -3.58 0.00 0.00 -1.93 0.00 0.00 57.85 52.48 1nkk n ARG 515 Cb 0.41 -1.71 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 1nkk n ARG 515 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1nkk n SER 516 N -0.61 0.94 -1.97 0.55 2.88 -0.97 -4.77 113.62 109.66 1nkk n SER 516 Ca 0.25 -0.34 -0.05 0.00 -1.33 0.00 0.00 58.87 57.41 1nkk n SER 516 Cb 0.89 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.37 1nkk n SER 516 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1nkk n ASP 517 N -0.70 -1.21 -0.09 -3.46 5.68 -1.26 -5.04 116.55 110.47 1nkk n ASP 517 Ca 0.00 -1.82 -0.01 0.00 -0.50 0.00 0.00 54.79 52.46 1nkk n ASP 517 Cb 0.00 2.01 0.26 0.00 -1.14 0.00 0.00 41.12 42.25 1nkk n ASP 517 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1nkk h SER 518 N 1.05 0.67 -1.01 -1.12 4.64 -1.98 -2.26 113.55 113.55 1nkk h SER 518 Ca -0.18 -0.09 0.04 0.00 -0.47 0.00 0.00 61.79 61.09 1nkk h SER 518 Cb 0.66 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.51 1nkk h SER 518 CO 0.22 0.64 0.66 1.88 -0.87 0.00 0.00 176.83 179.36 1nkk h TYR 519 N 0.71 1.23 0.53 4.77 0.05 -1.98 0.35 116.97 122.63 1nkk h TYR 519 Ca 0.17 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.95 1nkk h TYR 519 Cb 0.21 -0.41 0.01 0.00 1.01 0.00 0.00 36.73 37.55 1nkk h TYR 519 CO 0.01 0.69 -0.25 0.78 -1.05 0.00 0.00 178.16 178.34 1nkk h GLY 520 N 1.26 -0.74 0.33 3.88 0.00 -1.82 0.82 103.07 106.80 1nkk h GLY 520 Ca 0.41 0.28 0.08 0.00 0.00 0.00 0.00 47.33 48.10 1nkk h GLY 520 CO -0.14 -0.27 0.06 1.41 0.00 0.00 0.00 176.54 177.61 1nkk h LEU 521 N -0.81 -0.06 0.07 3.11 3.38 -1.22 0.62 115.31 120.40 1nkk h LEU 521 Ca -0.07 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1nkk h LEU 521 Cb 0.59 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1nkk h LEU 521 CO 0.12 -0.00 -0.14 0.25 0.09 0.00 0.00 178.44 178.76 1nkk h LEU 522 N 0.19 -0.38 -0.92 1.67 6.46 -0.81 0.45 115.31 121.97 1nkk h LEU 522 Ca 0.24 0.05 0.05 0.00 -0.12 0.00 0.00 57.88 58.09 1nkk h LEU 522 Cb 0.33 0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.34 1nkk h LEU 522 CO -0.34 -0.20 0.59 1.23 -0.62 0.00 0.00 178.44 179.11 1nkk h GLY 523 N -0.26 1.37 2.00 3.75 0.00 0.03 0.51 103.07 110.46 1nkk h GLY 523 Ca 0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1nkk h GLY 523 CO -0.08 0.35 -0.15 -0.57 0.00 0.00 0.00 176.54 176.08 1nkk h ASN 524 N 1.12 0.00 -0.07 0.19 -0.73 0.12 -2.97 115.58 113.24 1nkk h ASN 524 Ca 0.38 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.37 1nkk h ASN 524 Cb 0.08 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.67 1nkk h ASN 524 CO -0.14 0.15 -0.59 0.77 -0.37 0.00 0.00 177.43 177.24 1nkk h SER 525 N 0.00 0.76 -0.32 1.15 4.64 0.22 -3.01 113.55 116.99 1nkk h SER 525 Ca -0.00 -0.43 -0.07 0.00 -0.47 0.00 0.00 61.79 60.82 1nkk h SER 525 Cb 0.41 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1nkk h SER 525 CO 0.02 1.18 -0.03 1.62 -0.87 0.00 0.00 176.83 178.75 1nkk h VAL 526 N 0.50 1.23 -0.76 0.95 3.04 -1.34 -1.74 116.25 118.14 1nkk h VAL 526 Ca -0.00 -0.98 0.10 0.00 -1.01 0.00 0.00 66.70 64.81 1nkk h VAL 526 Cb 1.17 0.94 -0.05 0.00 -2.01 0.00 0.00 31.29 31.34 1nkk h VAL 526 CO 0.12 0.34 0.50 0.44 -1.01 0.00 0.00 177.57 177.96 1nkk h ASP 527 N 0.65 0.59 1.43 3.17 3.45 -1.54 -0.85 116.42 123.31 1nkk h ASP 527 Ca 0.13 0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.55 1nkk h ASP 527 Cb 0.45 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.10 1nkk h ASP 527 CO 0.02 0.35 -0.24 0.00 -1.57 0.00 0.00 179.24 177.79 1nkk h ALA 528 N 1.62 0.89 0.00 3.45 0.00 -1.28 -3.10 119.26 120.84 1nkk h ALA 528 Ca 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1nkk h ALA 528 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1nkk h ALA 528 CO -0.13 0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.70 1nkk n LEU 529 N -3.23 0.62 -0.68 0.00 4.77 -0.33 -2.78 117.00 115.37 1nkk n LEU 529 Ca 0.02 0.70 0.07 0.00 -0.03 0.00 0.00 56.01 56.77 1nkk n LEU 529 Cb 0.56 -0.67 0.21 0.00 -2.33 0.00 0.00 43.42 41.19 1nkk n LEU 529 CO 0.36 -0.71 0.65 -1.22 -1.33 0.00 0.00 177.39 175.14 1nkk n TYR 530 N -2.24 0.64 -3.11 -1.77 4.01 -1.17 -4.95 117.16 108.57 1nkk n TYR 530 Ca 0.01 -1.07 -0.40 0.00 -0.16 0.00 0.00 57.90 56.28 1nkk n TYR 530 Cb 0.15 -0.29 -0.06 0.00 -0.31 0.00 0.00 39.34 38.83 1nkk n TYR 530 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1nkk s ILE 531 N -2.94 5.01 0.24 -0.72 1.01 -1.12 -5.01 121.20 117.67 1nkk s ILE 531 Ca 0.39 1.18 -0.30 0.00 0.00 0.00 0.00 60.65 61.92 1nkk s ILE 531 Cb 0.34 -3.94 -0.10 0.00 0.01 0.00 0.00 42.46 38.76 1nkk s ILE 531 CO 0.05 0.09 1.48 -0.13 0.00 0.00 0.00 174.94 176.42 1nkk s ARG 532 N 2.05 4.24 -1.70 2.79 0.52 -1.26 -3.33 118.95 122.26 1nkk s ARG 532 Ca 0.28 2.34 -0.01 0.00 -0.52 0.00 0.00 55.73 57.81 1nkk s ARG 532 Cb -0.16 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.20 1nkk s ARG 532 CO 0.10 -0.47 0.18 0.39 0.02 0.00 0.00 175.30 175.52 1nkk n GLU 533 N 2.61 -2.62 -0.11 3.54 1.02 -1.26 -4.93 120.64 118.88 1nkk n GLU 533 Ca 0.08 0.97 -0.05 0.00 -0.02 0.00 0.00 57.16 58.14 1nkk n GLU 533 Cb 0.40 -5.68 0.01 0.00 -0.02 0.00 0.00 31.44 26.14 1nkk n GLU 533 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1nkk h ARG 534 N -0.42 -0.09 -0.50 3.49 2.43 -1.94 -1.96 114.38 115.39 1nkk h ARG 534 Ca -0.50 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 58.55 1nkk h ARG 534 Cb 1.36 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.92 1nkk h ARG 534 CO 0.58 -0.06 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.75 1nkk h LEU 535 N -0.10 0.99 -0.31 3.80 4.07 -1.91 -2.51 115.31 119.34 1nkk h LEU 535 Ca 0.19 -0.35 -0.01 0.00 0.08 0.00 0.00 57.88 57.80 1nkk h LEU 535 Cb 0.40 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1nkk h LEU 535 CO -0.46 1.13 0.16 -0.65 -1.08 0.00 0.00 178.44 177.54 1nkk h PRO 536 N 0.86 0.44 -0.42 1.13 0.11 -1.88 0.12 132.00 132.37 1nkk h PRO 536 Ca 0.13 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 1nkk h PRO 536 Cb 0.72 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 1nkk h PRO 536 CO 0.06 0.39 0.19 0.87 -0.21 0.00 0.00 178.00 179.30 1nkk h LYS 537 N 0.37 0.59 -0.05 1.05 1.57 -1.35 -0.69 116.57 118.06 1nkk h LYS 537 Ca 0.11 -0.07 -0.23 0.00 -1.87 0.00 0.00 60.65 58.59 1nkk h LYS 537 Cb 0.09 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.29 1nkk h LYS 537 CO -0.02 0.47 -0.90 -0.07 -0.57 0.00 0.00 179.45 178.36 1nkk h LEU 538 N 0.59 0.71 -0.95 2.94 3.38 -1.05 0.68 115.31 121.62 1nkk h LEU 538 Ca 0.15 -0.53 -0.09 0.00 0.09 0.00 0.00 57.88 57.50 1nkk h LEU 538 Cb 0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1nkk h LEU 538 CO -0.02 1.32 -0.21 0.03 0.09 0.00 0.00 178.44 179.65 1nkk h ARG 539 N 0.35 0.52 -0.12 1.13 2.47 -0.35 0.61 114.38 118.99 1nkk h ARG 539 Ca -0.08 -0.18 -0.03 0.00 -1.26 0.00 0.00 59.98 58.43 1nkk h ARG 539 Cb 1.53 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 29.81 1nkk h ARG 539 CO 0.17 0.70 -0.03 -0.92 0.56 0.00 0.00 179.97 180.45 1nkk h TYR 540 N 0.47 0.26 -0.22 3.04 3.20 -1.02 -1.33 116.97 121.36 1nkk h TYR 540 Ca 0.07 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1nkk h TYR 540 Cb 0.62 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1nkk h TYR 540 CO 0.02 0.53 0.01 -0.44 -1.64 0.00 0.00 178.16 176.64 1nkk h ASP 541 N -0.08 0.29 -0.25 -2.11 3.32 -0.53 -0.64 116.42 116.42 1nkk h ASP 541 Ca 0.03 -0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 1nkk h ASP 541 Cb 0.44 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1nkk h ASP 541 CO 0.01 0.33 -0.53 0.50 -1.72 0.00 0.00 179.24 177.84 1nkk h LYS 542 N 0.31 0.80 -0.30 3.56 3.64 -0.67 -2.69 116.57 121.21 1nkk h LYS 542 Ca 0.07 -0.53 -0.17 0.00 -1.27 0.00 0.00 60.65 58.76 1nkk h LYS 542 Cb 0.19 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1nkk h LYS 542 CO 0.00 1.15 -0.46 0.37 -2.27 0.00 0.00 179.45 178.25 1nkk h GLN 543 N 0.55 0.84 -0.56 1.90 4.15 -0.81 -2.61 115.11 118.56 1nkk h GLN 543 Ca 0.01 -0.50 -0.04 0.00 0.77 0.00 0.00 58.65 58.88 1nkk h GLN 543 Cb 1.14 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.85 1nkk h GLN 543 CO 0.12 1.14 0.18 1.25 -1.93 0.00 0.00 178.83 179.58 1nkk h LEU 544 N 0.61 0.82 -1.08 -2.39 5.85 -1.17 -3.00 115.31 114.95 1nkk h LEU 544 Ca 0.03 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1nkk h LEU 544 Cb 1.06 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1nkk h LEU 544 CO 0.11 0.81 0.00 0.55 -0.34 0.00 0.00 178.44 179.56 1nkk n VAL 545 N -4.44 0.27 -0.93 1.05 3.14 -1.02 -4.94 118.33 111.46 1nkk n VAL 545 Ca 0.03 -0.36 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 1nkk n VAL 545 Cb 0.20 0.29 0.00 0.00 -1.06 0.00 0.00 33.84 33.27 1nkk n VAL 545 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1nkk n GLY 546 N 1.08 0.38 0.00 7.55 0.00 -1.13 -4.38 105.19 108.69 1nkk n GLY 546 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1nkk n GLY 546 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nkk n VAL 547 N -2.39 0.17 0.08 1.61 0.31 -1.06 -1.61 118.33 115.45 1nkk n VAL 547 Ca 0.00 0.04 -0.09 0.00 -0.01 0.00 0.00 64.34 64.28 1nkk n VAL 547 Cb 0.14 -0.62 -0.00 0.00 -0.91 0.00 0.00 33.84 32.44 1nkk n VAL 547 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nkk h THR 548 N 0.00 1.46 -0.34 2.52 1.03 -1.79 -3.29 112.91 112.51 1nkk h THR 548 Ca 0.00 -2.52 -0.11 0.00 -0.01 0.00 0.00 66.41 63.77 1nkk h THR 548 Cb 0.22 2.41 -0.01 0.00 -1.07 0.00 0.00 68.15 69.70 1nkk h THR 548 CO 0.00 0.74 -0.21 -0.33 -0.01 0.00 0.00 175.52 175.70 1nkk h GLU 549 N 0.14 0.75 0.00 0.00 5.08 -1.59 -3.46 114.58 115.50 1nkk h GLU 549 Ca -0.05 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1nkk h GLU 549 Cb 1.48 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1nkk h GLU 549 CO 0.14 0.97 0.00 0.54 -1.00 0.00 0.00 179.01 179.65 1nkk n ARG 550 N -4.28 1.40 -5.17 2.33 1.74 -1.22 -5.11 116.66 106.35 1nkk n ARG 550 Ca -0.03 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.74 1nkk n ARG 550 Cb 0.43 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.72 1nkk n ARG 550 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1nkk s GLU 551 N -0.29 2.33 0.17 5.56 0.41 -1.26 -5.00 118.70 120.63 1nkk s GLU 551 Ca 0.00 -0.85 -0.07 0.00 -0.41 0.00 0.00 54.97 53.64 1nkk s GLU 551 Cb 0.00 -2.17 0.03 0.00 -1.78 0.00 0.00 34.13 30.20 1nkk s GLU 551 CO 0.00 0.53 0.35 -1.13 -0.49 0.00 0.00 175.26 174.53 1nkk n SER 552 N 2.53 -1.01 -0.79 -0.19 3.41 -1.26 -5.01 113.62 111.30 1nkk n SER 552 Ca -0.17 -1.70 0.12 0.00 -0.26 0.00 0.00 58.87 56.86 1nkk n SER 552 Cb 0.52 1.68 0.31 0.00 -0.26 0.00 0.00 64.21 66.46 1nkk n SER 552 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1nkk n TYR 553 N -0.24 0.23 -1.67 7.33 4.01 -1.26 -4.52 117.16 121.05 1nkk n TYR 553 Ca -0.04 -0.12 -0.45 0.00 -0.16 0.00 0.00 57.90 57.13 1nkk n TYR 553 Cb 0.26 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.26 1nkk n TYR 553 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1nkk n VAL 554 N 0.81 0.79 0.15 -0.72 0.31 -1.26 -4.73 118.33 113.68 1nkk n VAL 554 Ca 0.17 -0.20 0.10 0.00 -0.01 0.00 0.00 64.34 64.41 1nkk n VAL 554 Cb 0.46 -1.45 -0.15 0.00 -0.91 0.00 0.00 33.84 31.78 1nkk n VAL 554 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1nkk n LYS 555 N 2.23 0.58 0.00 5.55 4.76 -1.26 -5.03 118.16 124.99 1nkk n LYS 555 Ca 0.13 -0.16 0.03 0.00 -2.87 0.00 0.00 58.31 55.44 1nkk n LYS 555 Cb 0.31 -1.49 0.20 0.00 -1.84 0.00 0.00 35.03 32.20 1nkk n LYS 555 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03