#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2buw s ILE 304 N 0.00 3.72 0.21 1.39 1.01 -1.26 -5.04 121.20 121.23 2buw s ILE 304 Ca 0.00 -0.51 -0.27 0.00 0.00 0.00 0.00 60.65 59.87 2buw s ILE 304 Cb 0.00 -2.78 -0.09 0.00 0.01 0.00 0.00 42.46 39.60 2buw s ILE 304 CO 0.00 0.29 0.86 0.26 0.00 0.00 0.00 174.94 176.35 2buw s TRP 305 N 1.50 3.92 0.00 3.97 0.52 -1.26 -0.43 118.94 127.16 2buw s TRP 305 Ca 0.05 1.76 0.00 0.00 0.02 0.00 0.00 56.10 57.92 2buw s TRP 305 Cb -0.15 -2.86 0.00 0.00 -1.15 0.00 0.00 33.47 29.30 2buw s TRP 305 CO -0.00 0.46 0.00 0.41 0.02 0.00 0.00 176.95 177.84 2buw n GLY 306 N 1.43 2.47 3.90 0.98 0.00 0.03 -4.78 105.19 109.22 2buw n GLY 306 Ca -0.03 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 2buw n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2buw s ALA 307 N -2.73 2.96 0.54 4.61 0.00 -1.26 -4.55 121.76 121.33 2buw s ALA 307 Ca 0.00 -0.49 -0.20 0.00 0.00 0.00 0.00 51.96 51.27 2buw s ALA 307 Cb 0.00 -2.91 -0.06 0.00 0.00 0.00 0.00 23.12 20.16 2buw s ALA 307 CO 0.00 -1.16 1.15 0.71 0.00 0.00 0.00 175.76 176.46 2buw s TYR 308 N -3.31 2.64 0.60 0.00 1.51 -1.26 -1.98 117.35 115.54 2buw s TYR 308 Ca 0.58 1.54 -0.19 0.00 -1.01 0.00 0.00 57.07 57.99 2buw s TYR 308 Cb -0.11 -3.34 -0.03 0.00 -0.11 0.00 0.00 41.96 38.37 2buw s TYR 308 CO 0.50 -1.69 1.21 0.00 -1.11 0.00 0.00 175.55 174.45 2buw s ALA 309 N -1.72 2.52 0.36 3.71 0.00 -0.02 -4.89 121.76 121.73 2buw s ALA 309 Ca 0.73 1.01 -0.28 0.00 0.00 0.00 0.00 51.96 53.42 2buw s ALA 309 Cb -0.26 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.29 2buw s ALA 309 CO 0.29 -1.20 1.37 0.94 0.00 0.00 0.00 175.76 177.16 2buw n GLN 310 N -1.64 2.34 -2.06 0.00 7.27 -1.26 -4.81 117.38 117.22 2buw n GLN 310 Ca 0.14 0.82 -0.42 0.00 0.07 0.00 0.00 57.00 57.61 2buw n GLN 310 Cb 0.50 -2.47 -0.03 0.00 2.41 0.00 0.00 30.24 30.65 2buw n GLN 310 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 2buw s ARG 311 N -1.99 4.28 -0.69 3.69 3.52 -1.26 -4.93 118.95 121.58 2buw s ARG 311 Ca 0.55 2.22 -0.24 0.00 -0.13 0.00 0.00 55.73 58.12 2buw s ARG 311 Cb -0.53 -3.18 0.06 0.00 -1.56 0.00 0.00 34.95 29.74 2buw s ARG 311 CO 0.63 -0.47 1.07 1.21 -0.81 0.00 0.00 175.30 176.93 2buw s ASN 312 N 0.85 6.17 0.63 -2.12 3.04 -1.26 -4.88 114.94 117.36 2buw s ASN 312 Ca 0.64 -0.81 0.33 0.00 0.04 0.00 0.00 52.86 53.07 2buw s ASN 312 Cb -0.40 -2.47 1.85 0.00 -1.54 0.00 0.00 41.25 38.69 2buw s ASN 312 CO 0.34 -1.58 2.13 0.71 -3.04 0.00 0.00 177.10 175.67 2buw h THR 313 N 5.99 0.25 0.00 -5.21 1.35 -1.95 -0.31 112.91 113.03 2buw h THR 313 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2buw h THR 313 Cb 1.06 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 2buw h THR 313 CO 1.22 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.87 2buw n GLU 314 N -3.41 0.03 -0.14 4.72 1.02 -1.26 -2.73 120.64 118.86 2buw n GLU 314 Ca -0.00 0.05 0.11 0.00 -0.02 0.00 0.00 57.16 57.30 2buw n GLU 314 Cb 0.27 -1.50 0.28 0.00 -0.02 0.00 0.00 31.44 30.47 2buw n GLU 314 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2buw n ASP 315 N -1.48 2.68 -4.36 1.62 8.00 -0.13 -4.71 116.55 118.18 2buw n ASP 315 Ca 0.07 -1.88 -0.18 0.00 0.71 0.00 0.00 54.79 53.51 2buw n ASP 315 Cb 0.30 -0.19 -0.10 0.00 -0.02 0.00 0.00 41.12 41.11 2buw n ASP 315 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2buw s HIS 316 N -1.63 1.66 0.73 1.24 3.76 -1.11 -4.93 115.29 115.02 2buw s HIS 316 Ca 0.35 -0.98 -0.11 0.00 -0.15 0.00 0.00 55.06 54.18 2buw s HIS 316 Cb 0.20 -1.00 0.03 0.00 1.11 0.00 0.00 32.58 32.92 2buw s HIS 316 CO 0.29 -0.08 1.07 -1.25 -0.85 0.00 0.00 174.74 173.92 2buw s PRO 317 N -3.90 2.61 0.61 8.40 0.04 -1.26 -4.48 135.00 137.03 2buw s PRO 317 Ca 0.32 1.02 -0.08 0.00 0.04 0.00 0.00 61.00 62.30 2buw s PRO 317 Cb 0.07 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 2buw s PRO 317 CO 0.11 -1.35 0.96 -1.25 0.04 0.00 0.00 177.00 175.52 2buw s PRO 318 N -5.00 3.12 0.11 0.56 0.04 -1.26 -4.98 135.00 127.60 2buw s PRO 318 Ca 0.59 0.29 -0.13 0.00 0.04 0.00 0.00 61.00 61.79 2buw s PRO 318 Cb -0.15 -2.19 -0.10 0.00 0.04 0.00 0.00 34.50 32.10 2buw s PRO 318 CO 0.55 -0.69 1.39 0.00 0.04 0.00 0.00 177.00 178.30 2buw h ALA 319 N -0.27 0.43 -2.48 8.56 0.00 -1.96 -3.40 119.26 120.13 2buw h ALA 319 Ca -0.45 -0.49 -0.65 0.00 0.00 0.00 0.00 54.91 53.31 2buw h ALA 319 Cb 1.24 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.80 2buw h ALA 319 CO 0.62 0.61 -0.10 -0.47 0.00 0.00 0.00 179.25 179.91 2buw s TYR 320 N -4.12 3.19 -0.35 0.00 5.04 -1.26 -4.73 117.35 115.11 2buw s TYR 320 Ca -0.11 0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.68 2buw s TYR 320 Cb 0.09 -2.86 0.14 0.00 0.35 0.00 0.00 41.96 39.68 2buw s TYR 320 CO 0.87 -0.51 0.24 0.00 -1.34 0.00 0.00 175.55 174.82 2buw s ALA 321 N 2.31 0.50 0.62 3.97 0.00 -1.26 -5.02 121.76 122.88 2buw s ALA 321 Ca 0.17 -1.49 0.28 0.00 0.00 0.00 0.00 51.96 50.92 2buw s ALA 321 Cb -0.16 -1.69 1.45 0.00 0.00 0.00 0.00 23.12 22.72 2buw s ALA 321 CO 0.13 -2.05 1.84 -1.00 0.00 0.00 0.00 175.76 174.68 2buw h PRO 322 N 7.24 0.00 0.00 0.00 0.13 -1.94 0.00 132.00 137.43 2buw h PRO 322 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2buw h PRO 322 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2buw h PRO 322 CO 0.27 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 178.82 2buw h GLY 323 N 0.00 0.00 -7.52 1.56 0.00 -1.95 -3.30 103.07 91.86 2buw h GLY 323 Ca 0.13 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.76 2buw h GLY 323 CO -0.00 0.00 -0.40 -0.47 0.00 0.00 0.00 176.54 175.67 2buw s TYR 324 N -3.31 3.48 0.30 5.60 5.04 -0.01 -4.88 117.35 123.55 2buw s TYR 324 Ca 0.05 -2.54 0.05 0.00 -2.44 0.00 0.00 57.07 52.19 2buw s TYR 324 Cb 0.10 -3.25 0.73 0.00 0.35 0.00 0.00 41.96 39.88 2buw s TYR 324 CO 0.45 -0.90 1.74 0.87 -1.34 0.00 0.00 175.55 176.37 2buw h LYS 325 N 7.46 0.57 0.00 4.97 1.57 -1.78 -1.29 116.57 128.07 2buw h LYS 325 Ca -0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2buw h LYS 325 Cb 0.99 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.17 2buw h LYS 325 CO 0.72 0.38 0.00 0.25 -0.57 0.00 0.00 179.45 180.23 2buw n THR 326 N -4.89 0.94 0.40 -0.16 -2.24 -1.26 -1.87 114.28 105.19 2buw n THR 326 Ca 0.23 0.33 0.14 0.00 -2.27 0.00 0.00 64.05 62.47 2buw n THR 326 Cb 0.61 -1.25 0.46 0.00 -2.10 0.00 0.00 70.33 68.05 2buw n THR 326 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2buw h SER 327 N 0.00 0.00 -0.45 3.42 4.64 -1.52 -3.16 113.55 116.48 2buw h SER 327 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2buw h SER 327 Cb 0.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 2buw h SER 327 CO 0.00 0.00 0.15 0.58 -0.87 0.00 0.00 176.83 176.69 2buw h VAL 328 N 0.00 1.21 -0.01 0.95 2.07 -1.53 -2.84 116.25 116.10 2buw h VAL 328 Ca 0.00 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2buw h VAL 328 Cb 0.60 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2buw h VAL 328 CO 0.00 0.27 -0.50 0.18 0.02 0.00 0.00 177.57 177.54 2buw n LEU 329 N -4.30 1.53 -1.04 2.57 4.77 -1.23 -4.36 117.00 114.94 2buw n LEU 329 Ca 0.04 -0.70 -0.00 0.00 -0.03 0.00 0.00 56.01 55.32 2buw n LEU 329 Cb 0.20 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.50 2buw n LEU 329 CO 0.39 0.30 0.69 0.54 -1.33 0.00 0.00 177.39 177.98 2buw n ARG 330 N -0.43 2.05 -4.99 3.23 1.74 -1.11 -4.98 116.66 112.17 2buw n ARG 330 Ca 0.06 -3.08 -0.27 0.00 -0.77 0.00 0.00 57.85 53.79 2buw n ARG 330 Cb 0.36 -1.80 -0.15 0.00 -1.02 0.00 0.00 32.46 29.84 2buw n ARG 330 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2buw s SER 331 N -2.43 2.50 0.61 0.55 1.04 -1.09 -4.96 113.70 109.92 2buw s SER 331 Ca 0.43 -0.40 -0.17 0.00 0.48 0.00 0.00 55.95 56.29 2buw s SER 331 Cb 0.38 -0.27 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 2buw s SER 331 CO 0.02 0.25 1.13 -2.16 0.98 0.00 0.00 173.24 173.45 2buw s PRO 332 N -0.59 3.02 0.02 4.02 0.04 -1.26 -4.93 135.00 135.32 2buw s PRO 332 Ca 0.08 1.52 0.06 0.00 0.04 0.00 0.00 61.00 62.70 2buw s PRO 332 Cb -0.08 -1.97 -0.24 0.00 0.04 0.00 0.00 34.50 32.25 2buw s PRO 332 CO -0.00 -1.10 0.91 1.57 0.04 0.00 0.00 177.00 178.42 2buw h LYS 333 N 0.56 0.07 -7.12 4.56 2.10 -2.00 -3.47 116.57 111.28 2buw h LYS 333 Ca -0.48 -0.12 -0.45 0.00 -2.00 0.00 0.00 60.65 57.59 2buw h LYS 333 Cb 1.26 0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 32.63 2buw h LYS 333 CO 0.55 0.84 0.36 -0.80 -2.00 0.00 0.00 179.45 178.40 2buw s ASN 334 N -6.55 6.77 0.60 7.07 0.01 -1.26 -5.04 114.94 116.54 2buw s ASN 334 Ca -0.04 1.65 -0.18 0.00 -0.71 0.00 0.00 52.86 53.57 2buw s ASN 334 Cb 0.08 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 39.18 2buw s ASN 334 CO 0.83 -0.48 1.18 0.00 -1.51 0.00 0.00 177.10 177.12 2buw s ALA 335 N -2.36 2.54 0.56 0.60 0.00 -1.26 -4.99 121.76 116.86 2buw s ALA 335 Ca 0.61 0.90 -0.20 0.00 0.00 0.00 0.00 51.96 53.28 2buw s ALA 335 Cb -0.10 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 2buw s ALA 335 CO 0.21 -1.13 1.19 -0.51 0.00 0.00 0.00 175.76 175.53 2buw s LEU 336 N -4.16 3.74 -0.31 0.00 1.43 -1.26 -4.98 118.68 113.13 2buw s LEU 336 Ca 0.75 2.35 -0.15 0.00 -1.03 0.00 0.00 54.13 56.04 2buw s LEU 336 Cb -0.27 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.38 2buw s LEU 336 CO 0.33 -1.42 0.37 -0.63 0.23 0.00 0.00 176.35 175.23 2buw s ILE 337 N -1.62 5.17 0.09 -0.59 1.01 -1.26 -5.06 121.20 118.94 2buw s ILE 337 Ca 0.74 0.29 -0.28 0.00 0.00 0.00 0.00 60.65 61.40 2buw s ILE 337 Cb -0.29 -3.76 -0.06 0.00 0.01 0.00 0.00 42.46 38.36 2buw s ILE 337 CO 0.32 0.02 0.90 -0.44 0.00 0.00 0.00 174.94 175.74 2buw s SER 338 N 1.70 7.40 0.28 3.58 0.01 -1.26 -5.05 113.70 120.36 2buw s SER 338 Ca 0.13 1.68 0.11 0.00 1.31 0.00 0.00 55.95 59.18 2buw s SER 338 Cb -0.16 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 2buw s SER 338 CO 0.11 -0.04 -0.17 0.27 0.41 0.00 0.00 173.24 173.82 2buw s ILE 339 N -0.02 2.31 0.15 1.44 -4.36 -1.26 -5.12 121.20 114.33 2buw s ILE 339 Ca 0.44 -2.34 -0.27 0.00 -0.26 0.00 0.00 60.65 58.22 2buw s ILE 339 Cb -0.22 -2.32 -0.07 0.00 1.25 0.00 0.00 42.46 41.09 2buw s ILE 339 CO 0.28 -0.40 0.84 0.00 0.24 0.00 0.00 174.94 175.90 2buw s ALA 340 N -2.61 3.37 0.45 2.27 0.00 -1.26 -5.00 121.76 118.98 2buw s ALA 340 Ca 0.29 0.44 -0.23 0.00 0.00 0.00 0.00 51.96 52.47 2buw s ALA 340 Cb -0.03 -3.08 -0.08 0.00 0.00 0.00 0.00 23.12 19.93 2buw s ALA 340 CO 0.14 0.17 1.09 -1.21 0.00 0.00 0.00 175.76 175.95 2buw s GLU 341 N -0.74 3.90 0.30 0.00 2.02 -1.26 -5.06 118.70 117.87 2buw s GLU 341 Ca 0.39 1.58 0.01 0.00 0.02 0.00 0.00 54.97 56.97 2buw s GLU 341 Cb -0.23 -2.37 -0.00 0.00 0.10 0.00 0.00 34.13 31.62 2buw s GLU 341 CO 0.28 -0.39 0.02 0.25 0.02 0.00 0.00 175.26 175.44 2buw n THR 342 N -0.47 0.00 0.06 3.63 -2.24 -1.26 -4.87 114.28 109.12 2buw n THR 342 Ca 0.07 -1.50 0.17 0.00 -2.27 0.00 0.00 64.05 60.52 2buw n THR 342 Cb 0.50 0.35 0.67 0.00 -2.10 0.00 0.00 70.33 69.75 2buw n THR 342 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2buw h LEU 343 N 0.00 0.02 -1.21 3.22 3.38 -1.97 -1.60 115.31 117.14 2buw h LEU 343 Ca -0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2buw h LEU 343 Cb 0.79 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 2buw h LEU 343 CO 0.41 0.01 0.44 0.28 0.09 0.00 0.00 178.44 179.67 2buw h SER 344 N 0.02 0.86 1.16 -0.43 0.02 -1.95 -2.86 113.55 110.37 2buw h SER 344 Ca 0.19 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2buw h SER 344 Cb 0.75 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 2buw h SER 344 CO -0.01 0.66 -0.85 -0.33 -1.14 0.00 0.00 176.83 175.17 2buw h GLU 345 N 0.99 0.00 -0.17 3.45 3.07 -1.69 -3.34 114.58 116.89 2buw h GLU 345 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 2buw h GLU 345 Cb -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 2buw h GLU 345 CO -0.05 0.03 0.00 1.33 -1.40 0.00 0.00 179.01 178.92 2buw n VAL 346 N -2.78 0.19 -3.69 3.13 0.24 -1.05 -1.37 118.33 113.00 2buw n VAL 346 Ca 0.00 -0.59 -0.22 0.00 -2.04 0.00 0.00 64.34 61.50 2buw n VAL 346 Cb 0.57 1.27 -0.04 0.00 -1.47 0.00 0.00 33.84 34.17 2buw n VAL 346 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2buw s THR 347 N -1.81 2.66 0.01 3.34 -4.23 -1.09 -4.29 115.64 110.23 2buw s THR 347 Ca 0.32 -1.42 -0.28 0.00 -1.18 0.00 0.00 61.69 59.13 2buw s THR 347 Cb 0.21 -3.01 0.10 0.00 1.34 0.00 0.00 72.50 71.14 2buw s THR 347 CO 0.31 -0.02 0.88 0.00 -0.54 0.00 0.00 174.62 175.25 2buw s ALA 348 N -2.48 -1.80 0.81 3.99 0.00 -1.21 0.21 121.76 121.27 2buw s ALA 348 Ca 0.46 0.92 -0.12 0.00 0.00 0.00 0.00 51.96 53.23 2buw s ALA 348 Cb -0.02 0.46 0.08 0.00 0.00 0.00 0.00 23.12 23.63 2buw s ALA 348 CO 0.27 -0.72 1.10 -1.25 0.00 0.00 0.00 175.76 175.16 2buw s PRO 349 N -3.16 1.99 -0.08 0.00 0.04 -1.26 -4.96 135.00 127.57 2buw s PRO 349 Ca 0.05 0.62 0.03 0.00 0.04 0.00 0.00 61.00 61.74 2buw s PRO 349 Cb -0.01 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2buw s PRO 349 CO -0.08 -1.68 -0.19 -1.01 0.04 0.00 0.00 177.00 174.08 2buw s HIS 350 N -3.16 2.63 -0.10 0.56 3.76 -1.26 -4.90 115.29 112.82 2buw s HIS 350 Ca 0.61 -0.60 0.01 0.00 -0.15 0.00 0.00 55.06 54.93 2buw s HIS 350 Cb -0.14 -1.69 -0.02 0.00 1.11 0.00 0.00 32.58 31.83 2buw s HIS 350 CO 0.54 -0.14 -0.12 -0.06 -0.85 0.00 0.00 174.74 174.11 2buw s PHE 351 N -0.09 2.80 0.05 1.40 0.40 -1.26 -5.11 117.98 116.17 2buw s PHE 351 Ca -0.04 -0.42 -0.17 0.00 -0.60 0.00 0.00 56.93 55.70 2buw s PHE 351 Cb -0.14 -1.78 -0.06 0.00 0.51 0.00 0.00 43.02 41.55 2buw s PHE 351 CO 0.04 -0.04 0.50 -1.54 0.70 0.00 0.00 175.22 174.88 2buw s SER 352 N -0.07 6.93 0.60 1.36 1.04 -1.26 -4.95 113.70 117.35 2buw s SER 352 Ca -0.02 1.11 0.34 0.00 0.48 0.00 0.00 55.95 57.87 2buw s SER 352 Cb -0.14 -2.30 1.92 0.00 0.10 0.00 0.00 66.02 65.59 2buw s SER 352 CO 0.04 0.28 2.24 0.00 0.98 0.00 0.00 173.24 176.78 2buw h ALA 353 N 4.50 1.28 -0.72 5.32 0.00 -1.99 -2.95 119.26 124.72 2buw h ALA 353 Ca -0.50 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 54.55 2buw h ALA 353 Cb 1.21 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2buw h ALA 353 CO 0.63 0.03 0.49 -0.44 0.00 0.00 0.00 179.25 179.96 2buw h ASP 354 N 0.00 0.22 1.36 0.00 3.32 -2.03 -2.11 116.42 117.17 2buw h ASP 354 Ca -0.00 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 2buw h ASP 354 Cb 0.10 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2buw h ASP 354 CO 0.00 0.11 -0.46 0.11 -1.72 0.00 0.00 179.24 177.28 2buw h LYS 355 N 0.23 0.00 -6.89 3.56 1.57 -1.94 -3.47 116.57 109.63 2buw h LYS 355 Ca 0.35 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.61 2buw h LYS 355 Cb 1.04 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.41 2buw h LYS 355 CO -0.07 0.46 0.58 -0.06 -0.57 0.00 0.00 179.45 179.78 2buw s PHE 356 N -3.11 3.12 0.61 -1.35 0.08 -0.79 -5.05 117.98 111.49 2buw s PHE 356 Ca 0.03 1.50 -0.09 0.00 0.12 0.00 0.00 56.93 58.49 2buw s PHE 356 Cb 0.08 -3.55 -0.01 0.00 -0.57 0.00 0.00 43.02 38.97 2buw s PHE 356 CO 0.73 -1.54 0.97 0.20 -0.10 0.00 0.00 175.22 175.48 2buw s GLY 357 N -0.73 1.60 0.56 4.36 0.00 -1.26 -4.97 107.32 106.89 2buw s GLY 357 Ca 0.51 -0.40 0.34 0.00 0.00 0.00 0.00 44.72 45.17 2buw s GLY 357 CO 0.47 -0.12 2.07 -0.56 0.00 0.00 0.00 173.10 174.96 2buw h PRO 358 N -0.27 0.00 -0.46 2.90 0.13 -1.99 -2.71 132.00 129.60 2buw h PRO 358 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2buw h PRO 358 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2buw h PRO 358 CO 0.62 0.05 0.00 1.63 -0.23 0.00 0.00 178.00 180.07 2buw n LYS 359 N -3.24 2.94 0.30 0.86 5.02 -1.26 -4.66 118.16 118.13 2buw n LYS 359 Ca -0.01 -2.36 0.16 0.00 -2.02 0.00 0.00 58.31 54.08 2buw n LYS 359 Cb 0.26 -1.46 0.94 0.00 -0.02 0.00 0.00 35.03 34.74 2buw n LYS 359 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2buw h ASP 360 N 2.73 0.00 -0.47 4.39 3.45 -1.77 -0.58 116.42 124.17 2buw h ASP 360 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2buw h ASP 360 Cb 0.94 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.71 2buw h ASP 360 CO 0.05 0.01 0.00 -0.46 -1.57 0.00 0.00 179.24 177.26 2buw n ASN 361 N -3.77 4.51 -3.90 6.45 6.94 -1.21 -0.87 115.26 123.41 2buw n ASN 361 Ca -0.03 -2.70 -0.30 0.00 -0.02 0.00 0.00 54.58 51.53 2buw n ASN 361 Cb 0.09 -0.55 -0.13 0.00 -2.36 0.00 0.00 39.78 36.82 2buw n ASN 361 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2buw s ASP 362 N -1.23 4.25 0.14 0.53 3.68 -0.23 -1.87 116.67 121.94 2buw s ASP 362 Ca 0.46 -3.10 0.21 0.00 2.13 0.00 0.00 52.55 52.25 2buw s ASP 362 Cb 0.33 -1.53 0.86 0.00 -1.45 0.00 0.00 42.92 41.13 2buw s ASP 362 CO 0.16 -0.21 1.66 0.18 0.13 0.00 0.00 175.17 177.09 2buw n LEU 363 N 2.98 0.39 -0.02 -1.34 4.32 0.16 -0.63 117.00 122.86 2buw n LEU 363 Ca 0.08 0.58 -0.17 0.00 -0.02 0.00 0.00 56.01 56.48 2buw n LEU 363 Cb 0.33 -0.51 -0.08 0.00 -1.62 0.00 0.00 43.42 41.55 2buw n LEU 363 CO 0.31 -0.35 0.26 0.40 -1.22 0.00 0.00 177.39 176.79 2buw h ILE 364 N 0.00 1.29 0.00 -0.08 2.04 -1.87 -3.39 117.51 115.50 2buw h ILE 364 Ca 0.00 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 63.89 2buw h ILE 364 Cb 0.39 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 2buw h ILE 364 CO 0.00 0.62 -0.98 0.18 0.00 0.00 0.00 178.15 177.97 2buw n LEU 365 N -3.97 0.43 0.07 1.44 4.77 -1.01 -4.41 117.00 114.32 2buw n LEU 365 Ca -0.08 -0.33 0.10 0.00 -0.03 0.00 0.00 56.01 55.67 2buw n LEU 365 Cb 0.74 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 42.24 2buw n LEU 365 CO 0.52 0.11 0.80 -0.46 -1.33 0.00 0.00 177.39 177.03 2buw n ASN 366 N -1.55 0.35 0.00 -1.43 0.23 0.20 -2.48 115.26 110.58 2buw n ASN 366 Ca 0.01 0.58 0.00 0.00 -0.53 0.00 0.00 54.58 54.64 2buw n ASN 366 Cb 0.27 -0.66 0.00 0.00 -2.08 0.00 0.00 39.78 37.31 2buw n ASN 366 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2buw n TYR 367 N -1.88 0.00 -2.07 -2.53 9.36 -1.26 -5.02 117.16 113.76 2buw n TYR 367 Ca 0.03 -0.09 -0.42 0.00 3.32 0.00 0.00 57.90 60.74 2buw n TYR 367 Cb 0.21 -0.01 -0.03 0.00 -0.63 0.00 0.00 39.34 38.88 2buw n TYR 367 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2buw s ALA 368 N -0.18 3.66 -0.02 2.98 0.00 -1.04 -4.51 121.76 122.66 2buw s ALA 368 Ca 0.00 1.19 -0.04 0.00 0.00 0.00 0.00 51.96 53.11 2buw s ALA 368 Cb 0.00 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 2buw s ALA 368 CO 0.00 -0.74 -0.08 1.63 0.00 0.00 0.00 175.76 176.57 2buw n LYS 369 N 4.24 0.12 -0.08 0.00 4.76 -1.26 -4.88 118.16 121.06 2buw n LYS 369 Ca 0.13 0.05 0.08 0.00 -2.87 0.00 0.00 58.31 55.70 2buw n LYS 369 Cb 0.41 -0.57 0.12 0.00 -1.84 0.00 0.00 35.03 33.16 2buw n LYS 369 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2buw n ASP 370 N -3.10 2.37 0.00 4.39 5.75 -1.26 -5.05 116.55 119.64 2buw n ASP 370 Ca -0.03 -2.92 0.00 0.00 -0.01 0.00 0.00 54.79 51.83 2buw n ASP 370 Cb 0.11 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 2buw n ASP 370 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2buw n GLY 371 N -1.25 -1.32 3.91 6.12 0.00 -1.26 -5.16 105.19 106.23 2buw n GLY 371 Ca 0.14 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 2buw n GLY 371 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2buw s LEU 372 N 0.00 4.07 0.64 0.99 1.43 -1.26 -4.75 118.68 119.79 2buw s LEU 372 Ca 0.00 0.62 -0.16 0.00 -1.03 0.00 0.00 54.13 53.57 2buw s LEU 372 Cb 0.00 -3.44 -0.01 0.00 0.03 0.00 0.00 46.19 42.77 2buw s LEU 372 CO 0.00 -0.19 1.11 -2.16 0.23 0.00 0.00 176.35 175.33 2buw s PRO 373 N -3.66 2.93 0.11 1.29 0.04 -1.26 -4.85 135.00 129.59 2buw s PRO 373 Ca 0.42 1.41 -0.23 0.00 0.04 0.00 0.00 61.00 62.65 2buw s PRO 373 Cb -0.11 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 2buw s PRO 373 CO 0.31 -1.15 0.68 0.42 0.04 0.00 0.00 177.00 177.30 2buw s ILE 374 N -2.26 4.58 0.00 0.56 -1.09 -1.26 -4.98 121.20 116.75 2buw s ILE 374 Ca 0.68 1.48 0.00 0.00 -2.23 0.00 0.00 60.65 60.57 2buw s ILE 374 Cb -0.21 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 2buw s ILE 374 CO 0.39 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 175.22 2buw n GLY 375 N 1.78 1.09 3.62 6.18 0.00 -1.26 -4.50 105.19 112.09 2buw n GLY 375 Ca -0.07 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 2buw n GLY 375 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2buw s GLU 376 N -1.03 3.92 -0.12 1.61 2.02 -1.26 -4.90 118.70 118.94 2buw s GLU 376 Ca 0.00 0.75 -0.29 0.00 0.02 0.00 0.00 54.97 55.45 2buw s GLU 376 Cb 0.00 -3.78 -0.04 0.00 0.10 0.00 0.00 34.13 30.41 2buw s GLU 376 CO 0.00 -0.94 1.51 1.03 0.02 0.00 0.00 175.26 176.88 2buw s ARG 377 N 3.56 4.14 0.02 1.61 0.52 -1.26 -0.24 118.95 127.29 2buw s ARG 377 Ca 0.41 1.91 0.00 0.00 -0.52 0.00 0.00 55.73 57.53 2buw s ARG 377 Cb -0.12 -3.91 -0.02 0.00 0.52 0.00 0.00 34.95 31.42 2buw s ARG 377 CO 0.18 -0.87 -0.03 0.14 0.02 0.00 0.00 175.30 174.74 2buw s VAL 378 N 4.02 0.10 -0.08 3.52 -7.23 -0.49 -1.60 120.40 118.65 2buw s VAL 378 Ca 0.66 -0.79 -0.01 0.00 -1.81 0.00 0.00 61.98 60.03 2buw s VAL 378 Cb -0.28 -0.23 -0.03 0.00 0.56 0.00 0.00 36.38 36.40 2buw s VAL 378 CO 0.24 -0.43 -0.02 -0.63 -0.31 0.00 0.00 175.10 173.94 2buw s ILE 379 N -1.27 4.08 -0.05 -0.62 1.01 -0.15 -1.25 121.20 122.95 2buw s ILE 379 Ca -0.14 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.22 2buw s ILE 379 Cb -0.09 -2.70 -0.00 0.00 0.01 0.00 0.00 42.46 39.68 2buw s ILE 379 CO -0.01 0.60 -0.19 -0.69 0.00 0.00 0.00 174.94 174.66 2buw s VAL 380 N -0.86 1.56 0.19 2.92 1.01 -0.34 -0.78 120.40 124.10 2buw s VAL 380 Ca 0.13 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 2buw s VAL 380 Cb -0.11 -1.34 -0.00 0.00 0.00 0.00 0.00 36.38 34.92 2buw s VAL 380 CO 0.02 0.45 0.37 -1.38 0.00 0.00 0.00 175.10 174.55 2buw s HIS 381 N 0.07 0.31 -2.65 5.22 -3.43 -0.51 -1.47 115.29 112.82 2buw s HIS 381 Ca -0.06 -0.66 0.00 0.00 -0.80 0.00 0.00 55.06 53.54 2buw s HIS 381 Cb -0.13 0.07 0.00 0.00 -1.43 0.00 0.00 32.58 31.09 2buw s HIS 381 CO 0.03 -0.81 0.00 0.41 -2.00 0.00 0.00 174.74 172.37 2buw n GLY 382 N -0.27 -1.15 3.20 -1.38 0.00 -0.82 -1.27 105.19 103.49 2buw n GLY 382 Ca -0.06 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 2buw n GLY 382 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2buw s TYR 383 N -3.00 1.59 -0.20 1.61 1.51 -1.25 -0.80 117.35 116.82 2buw s TYR 383 Ca 0.00 -0.34 -0.05 0.00 -1.01 0.00 0.00 57.07 55.66 2buw s TYR 383 Cb 0.00 -0.97 -0.03 0.00 -0.11 0.00 0.00 41.96 40.85 2buw s TYR 383 CO 0.00 0.04 0.01 0.08 -1.11 0.00 0.00 175.55 174.57 2buw s VAL 384 N -0.69 4.06 0.21 0.71 1.01 0.45 -1.06 120.40 125.09 2buw s VAL 384 Ca 0.06 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.79 2buw s VAL 384 Cb -0.08 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 2buw s VAL 384 CO 0.01 0.43 0.00 -0.13 0.00 0.00 0.00 175.10 175.41 2buw s ARG 385 N 0.93 1.26 0.54 2.72 0.52 -0.20 -1.59 118.95 123.12 2buw s ARG 385 Ca 0.02 -1.63 0.06 0.00 -0.52 0.00 0.00 55.73 53.66 2buw s ARG 385 Cb -0.14 -0.46 0.06 0.00 0.52 0.00 0.00 34.95 34.92 2buw s ARG 385 CO 0.02 -0.12 0.74 0.16 0.02 0.00 0.00 175.30 176.12 2buw s ASP 386 N -3.26 5.22 0.18 0.23 3.84 0.07 -0.49 116.67 122.47 2buw s ASP 386 Ca 0.27 -0.49 0.16 0.00 -0.00 0.00 0.00 52.55 52.49 2buw s ASP 386 Cb 0.06 -0.28 0.76 0.00 -1.38 0.00 0.00 42.92 42.08 2buw s ASP 386 CO 0.07 -1.17 1.48 0.00 -0.00 0.00 0.00 175.17 175.54 2buw n GLN 387 N -2.20 0.10 -0.43 2.11 10.64 0.83 -0.46 117.38 127.96 2buw n GLN 387 Ca 0.12 0.51 0.10 0.00 -1.83 0.00 0.00 57.00 55.89 2buw n GLN 387 Cb 0.60 -1.76 0.31 0.00 -0.86 0.00 0.00 30.24 28.53 2buw n GLN 387 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2buw n PHE 388 N -1.96 1.08 -0.88 2.61 3.01 -1.26 -4.93 117.46 115.12 2buw n PHE 388 Ca 0.00 -0.49 0.00 0.00 1.01 0.00 0.00 57.45 57.98 2buw n PHE 388 Cb 0.08 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2buw n PHE 388 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2buw n GLY 389 N 1.40 0.80 3.77 1.37 0.00 0.39 -5.04 105.19 107.88 2buw n GLY 389 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 2buw n GLY 389 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2buw s ARG 390 N -0.12 4.55 0.54 1.61 0.52 -1.26 -4.73 118.95 120.07 2buw s ARG 390 Ca 0.00 1.46 -0.20 0.00 -0.52 0.00 0.00 55.73 56.47 2buw s ARG 390 Cb 0.00 -2.88 -0.05 0.00 0.52 0.00 0.00 34.95 32.54 2buw s ARG 390 CO 0.00 0.22 1.21 -1.25 0.02 0.00 0.00 175.30 175.50 2buw s PRO 391 N -1.92 3.25 -0.38 3.54 0.04 -1.26 -0.75 135.00 137.52 2buw s PRO 391 Ca 0.49 1.85 -0.10 0.00 0.04 0.00 0.00 61.00 63.28 2buw s PRO 391 Cb -0.22 -2.11 0.04 0.00 0.04 0.00 0.00 34.50 32.24 2buw s PRO 391 CO 0.28 -0.99 0.21 0.08 0.04 0.00 0.00 177.00 176.62 2buw s VAL 392 N -1.56 4.48 -0.05 -0.36 1.01 -0.62 -4.76 120.40 118.54 2buw s VAL 392 Ca 0.72 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 2buw s VAL 392 Cb -0.31 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2buw s VAL 392 CO 0.35 -0.27 0.30 -0.54 0.00 0.00 0.00 175.10 174.93 2buw s LYS 393 N 1.53 3.71 -1.45 2.72 1.02 -1.26 -4.03 119.74 121.98 2buw s LYS 393 Ca 0.02 0.17 -0.11 0.00 0.02 0.00 0.00 55.97 56.07 2buw s LYS 393 Cb -0.20 -3.20 0.04 0.00 -0.52 0.00 0.00 37.83 33.96 2buw s LYS 393 CO 0.06 0.72 1.01 0.09 -0.92 0.00 0.00 175.35 176.31 2buw n ASN 394 N 1.84 -5.62 -4.84 2.83 3.02 -0.64 -4.92 115.26 106.93 2buw n ASN 394 Ca -0.16 -0.60 -0.35 0.00 -0.03 0.00 0.00 54.58 53.44 2buw n ASN 394 Cb 0.53 -4.46 -0.06 0.00 -0.61 0.00 0.00 39.78 35.18 2buw n ASN 394 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2buw s ALA 395 N -3.28 3.52 -0.30 5.41 0.00 -1.26 -4.74 121.76 121.12 2buw s ALA 395 Ca 0.58 -0.07 -0.24 0.00 0.00 0.00 0.00 51.96 52.23 2buw s ALA 395 Cb -0.28 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.25 2buw s ALA 395 CO 0.72 0.42 0.84 -1.17 0.00 0.00 0.00 175.76 176.57 2buw s LEU 396 N -2.14 4.07 -0.22 0.00 2.96 0.31 -1.34 118.68 122.33 2buw s LEU 396 Ca 0.41 0.79 -0.04 0.00 -0.22 0.00 0.00 54.13 55.07 2buw s LEU 396 Cb -0.15 -3.17 -0.01 0.00 0.50 0.00 0.00 46.19 43.37 2buw s LEU 396 CO 0.20 -0.63 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.86 2buw s VAL 397 N 3.03 3.43 -0.05 1.68 1.01 0.09 -1.69 120.40 127.91 2buw s VAL 397 Ca 0.35 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.89 2buw s VAL 397 Cb -0.14 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 2buw s VAL 397 CO 0.12 0.42 -0.16 -1.61 0.00 0.00 0.00 175.10 173.87 2buw s GLU 398 N 1.42 2.53 0.14 2.72 2.02 -0.55 -1.54 118.70 125.45 2buw s GLU 398 Ca 0.05 -0.73 0.04 0.00 0.02 0.00 0.00 54.97 54.35 2buw s GLU 398 Cb -0.14 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.69 2buw s GLU 398 CO -0.02 0.58 -0.09 0.14 0.02 0.00 0.00 175.26 175.88 2buw s VAL 399 N -0.61 1.07 0.09 2.63 -7.23 -0.01 -1.06 120.40 115.28 2buw s VAL 399 Ca 0.09 -2.03 -0.23 0.00 -1.81 0.00 0.00 61.98 58.00 2buw s VAL 399 Cb -0.11 -1.81 0.06 0.00 0.56 0.00 0.00 36.38 35.08 2buw s VAL 399 CO 0.01 -0.77 0.55 -1.66 -0.31 0.00 0.00 175.10 172.92 2buw s TRP 400 N -3.37 -0.46 0.06 2.82 -2.14 -0.81 -1.99 118.94 113.06 2buw s TRP 400 Ca 0.16 0.41 -0.28 0.00 2.66 0.00 0.00 56.10 59.05 2buw s TRP 400 Cb 0.03 0.41 0.09 0.00 -3.10 0.00 0.00 33.47 30.91 2buw s TRP 400 CO -0.01 -0.72 1.12 1.14 -2.66 0.00 0.00 176.95 175.83 2buw s GLN 401 N -2.95 0.79 0.76 3.25 -2.07 -0.44 -0.96 119.66 118.03 2buw s GLN 401 Ca -0.03 -0.43 -0.10 0.00 -1.82 0.00 0.00 55.36 52.99 2buw s GLN 401 Cb -0.00 0.27 0.07 0.00 -1.09 0.00 0.00 33.01 32.26 2buw s GLN 401 CO -0.06 -0.36 1.10 0.00 -1.32 0.00 0.00 175.29 174.65 2buw s ALA 402 N -2.85 2.89 0.80 2.60 0.00 -1.26 -4.63 121.76 119.31 2buw s ALA 402 Ca 0.13 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2buw s ALA 402 Cb 0.02 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.34 2buw s ALA 402 CO -0.01 -1.48 0.00 0.27 0.00 0.00 0.00 175.76 174.54 2buw n ASN 403 N -3.13 0.00 0.26 0.00 2.04 0.66 -4.51 115.26 110.59 2buw n ASN 403 Ca 0.08 -0.51 0.17 0.00 -0.44 0.00 0.00 54.58 53.89 2buw n ASN 403 Cb 0.61 0.00 0.76 0.00 -2.53 0.00 0.00 39.78 38.62 2buw n ASN 403 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2buw h ALA 404 N -1.65 1.00 -0.00 -2.53 0.00 -1.79 -1.40 119.26 112.89 2buw h ALA 404 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2buw h ALA 404 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2buw h ALA 404 CO 0.00 0.00 -0.26 0.43 0.00 0.00 0.00 179.25 179.42 2buw n SER 405 N -2.90 0.57 0.00 0.00 7.64 -1.26 -3.63 113.62 114.03 2buw n SER 405 Ca -0.00 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.46 2buw n SER 405 Cb 0.23 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 2buw n SER 405 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2buw n GLY 406 N 1.40 0.58 3.66 0.23 0.00 -0.61 -4.72 105.19 105.74 2buw n GLY 406 Ca 0.10 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 2buw n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2buw s ARG 407 N -0.89 4.05 0.14 1.61 6.06 -1.26 -4.72 118.95 123.94 2buw s ARG 407 Ca 0.00 -0.30 -0.12 0.00 -2.50 0.00 0.00 55.73 52.81 2buw s ARG 407 Cb 0.00 -3.31 -0.07 0.00 0.06 0.00 0.00 34.95 31.63 2buw s ARG 407 CO 0.00 0.26 0.51 0.71 -2.50 0.00 0.00 175.30 174.28 2buw s TYR 408 N 0.44 3.57 -1.12 5.12 2.02 -1.26 -0.24 117.35 125.88 2buw s TYR 408 Ca 0.05 0.96 -0.15 0.00 -0.37 0.00 0.00 57.07 57.56 2buw s TYR 408 Cb -0.12 -2.30 0.16 0.00 -0.40 0.00 0.00 41.96 39.31 2buw s TYR 408 CO -0.00 0.43 1.32 0.50 -1.57 0.00 0.00 175.55 176.23 2buw s ARG 409 N -2.09 3.94 -0.17 -0.62 3.52 -1.26 -4.77 118.95 117.50 2buw s ARG 409 Ca 0.38 -2.36 -0.16 0.00 -0.13 0.00 0.00 55.73 53.46 2buw s ARG 409 Cb -0.14 -4.99 0.04 0.00 -1.56 0.00 0.00 34.95 28.30 2buw s ARG 409 CO 0.19 -1.74 0.45 -1.58 -0.81 0.00 0.00 175.30 171.81 2buw s HIS 410 N 1.79 -0.50 0.53 5.12 2.46 -1.26 -5.04 115.29 118.39 2buw s HIS 410 Ca 0.39 1.21 0.24 0.00 0.47 0.00 0.00 55.06 57.37 2buw s HIS 410 Cb -0.04 0.17 1.38 0.00 -0.13 0.00 0.00 32.58 33.96 2buw s HIS 410 CO -0.03 -0.24 2.03 -1.35 -2.47 0.00 0.00 174.74 172.68 2buw h PRO 411 N 5.42 0.00 -0.14 2.88 0.11 -2.07 -1.64 132.00 136.56 2buw h PRO 411 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2buw h PRO 411 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2buw h PRO 411 CO 0.22 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.10 2buw n ASN 412 N -4.38 1.57 -4.47 -2.05 5.03 -1.26 -4.76 115.26 104.93 2buw n ASN 412 Ca 0.07 -1.66 -0.41 0.00 0.87 0.00 0.00 54.58 53.45 2buw n ASN 412 Cb 0.49 -0.09 -0.11 0.00 -1.02 0.00 0.00 39.78 39.05 2buw n ASN 412 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2buw s ASP 413 N -1.63 5.94 -0.18 6.41 3.68 -0.62 -4.93 116.67 125.33 2buw s ASP 413 Ca 0.33 -0.65 0.16 0.00 2.13 0.00 0.00 52.55 54.52 2buw s ASP 413 Cb 0.18 -2.10 0.42 0.00 -1.45 0.00 0.00 42.92 39.97 2buw s ASP 413 CO 0.27 -0.31 1.30 0.00 0.13 0.00 0.00 175.17 176.57 2buw n GLN 414 N 5.08 2.00 -1.77 4.34 6.02 -1.26 -4.82 117.38 126.98 2buw n GLN 414 Ca -0.12 -2.83 -0.38 0.00 -0.01 0.00 0.00 57.00 53.65 2buw n GLN 414 Cb 0.48 -1.69 0.05 0.00 1.02 0.00 0.00 30.24 30.11 2buw n GLN 414 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2buw s TYR 415 N -2.95 2.21 -0.02 1.08 5.04 -1.26 -4.88 117.35 116.57 2buw s TYR 415 Ca 0.38 1.41 0.31 0.00 -2.44 0.00 0.00 57.07 56.73 2buw s TYR 415 Cb 0.33 -3.77 1.39 0.00 0.35 0.00 0.00 41.96 40.26 2buw s TYR 415 CO 0.04 -2.92 1.93 0.97 -1.34 0.00 0.00 175.55 174.23 2buw h ILE 416 N 1.13 0.00 -2.14 3.14 2.10 -1.98 -3.44 117.51 116.32 2buw h ILE 416 Ca -0.51 -0.31 -0.63 0.00 1.08 0.00 0.00 64.86 64.49 2buw h ILE 416 Cb 1.31 1.18 0.08 0.00 -1.09 0.00 0.00 36.82 38.30 2buw h ILE 416 CO 0.56 0.00 0.36 0.61 -1.08 0.00 0.00 178.15 178.60 2buw n GLY 417 N -0.25 0.24 3.77 8.18 0.00 -1.26 -4.85 105.19 111.01 2buw n GLY 417 Ca 0.00 0.52 -0.39 0.00 0.00 0.00 0.00 46.02 46.15 2buw n GLY 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2buw s ALA 418 N -0.16 3.30 0.48 4.61 0.00 -1.26 -4.75 121.76 123.98 2buw s ALA 418 Ca 0.72 1.11 -0.20 0.00 0.00 0.00 0.00 51.96 53.59 2buw s ALA 418 Cb -0.80 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 18.81 2buw s ALA 418 CO 0.52 -0.60 1.01 -1.64 0.00 0.00 0.00 175.76 175.04 2buw s MET 419 N -2.07 3.90 -0.26 0.00 -1.94 -1.26 -4.56 119.30 113.11 2buw s MET 419 Ca 0.54 1.23 0.01 0.00 -1.71 0.00 0.00 55.69 55.75 2buw s MET 419 Cb -0.35 -2.12 0.05 0.00 2.01 0.00 0.00 34.83 34.42 2buw s MET 419 CO 0.45 -0.33 -0.08 0.34 -0.01 0.00 0.00 175.02 175.39 2buw s ASP 420 N -2.25 4.44 0.66 3.03 -1.08 -1.26 -4.99 116.67 115.23 2buw s ASP 420 Ca 0.64 -1.23 0.34 0.00 -0.52 0.00 0.00 52.55 51.78 2buw s ASP 420 Cb -0.13 -1.60 1.83 0.00 -1.46 0.00 0.00 42.92 41.55 2buw s ASP 420 CO 0.21 -0.19 2.03 1.55 0.52 0.00 0.00 175.17 179.30 2buw h PRO 421 N 7.88 0.00 -0.59 4.34 0.13 -1.98 -1.75 132.00 140.02 2buw h PRO 421 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2buw h PRO 421 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2buw h PRO 421 CO 0.51 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.37 2buw n ASN 422 N -2.97 3.59 -4.16 1.44 4.13 -1.26 -4.70 115.26 111.32 2buw n ASN 422 Ca -0.02 -2.00 -0.28 0.00 1.68 0.00 0.00 54.58 53.96 2buw n ASN 422 Cb 0.31 -0.40 -0.16 0.00 -1.54 0.00 0.00 39.78 37.99 2buw n ASN 422 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2buw s PHE 423 N -1.00 1.97 -0.26 3.10 2.19 -0.66 -3.12 117.98 120.20 2buw s PHE 423 Ca 0.40 -0.64 -0.13 0.00 0.33 0.00 0.00 56.93 56.89 2buw s PHE 423 Cb 0.21 -1.33 -0.11 0.00 -1.31 0.00 0.00 43.02 40.48 2buw s PHE 423 CO 0.27 -0.23 -0.34 0.41 1.83 0.00 0.00 175.22 177.16 2buw n GLY 424 N 3.25 -0.43 0.08 13.12 0.00 -1.26 -4.76 105.19 115.19 2buw n GLY 424 Ca -0.19 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2buw n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2buw n GLY 425 N 1.36 0.98 3.04 -0.02 0.00 -1.26 -4.53 105.19 104.76 2buw n GLY 425 Ca -0.51 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 2buw n GLY 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2buw s GLY 427 N -1.63 0.16 0.20 0.00 0.00 -0.84 -4.79 107.32 100.43 2buw s GLY 427 Ca -0.11 -0.54 -0.22 0.00 0.00 0.00 0.00 44.72 43.85 2buw s GLY 427 CO -0.00 -0.23 0.64 1.09 0.00 0.00 0.00 173.10 174.59 2buw s ARG 428 N -3.36 1.47 -0.00 2.90 1.70 -0.05 -0.83 118.95 120.78 2buw s ARG 428 Ca 0.14 -0.67 -0.29 0.00 -0.47 0.00 0.00 55.73 54.44 2buw s ARG 428 Cb -0.05 0.60 0.10 0.00 -0.57 0.00 0.00 34.95 35.03 2buw s ARG 428 CO 0.09 -0.65 1.05 0.00 -1.08 0.00 0.00 175.30 174.71 2buw s MET 429 N -3.81 0.73 -0.04 3.89 0.23 -0.59 -3.29 119.30 116.42 2buw s MET 429 Ca 0.05 -0.34 0.02 0.00 -1.03 0.00 0.00 55.69 54.39 2buw s MET 429 Cb -0.03 0.29 -0.03 0.00 -1.53 0.00 0.00 34.83 33.53 2buw s MET 429 CO -0.06 -0.33 -0.08 -0.51 -2.03 0.00 0.00 175.02 172.01 2buw s LEU 430 N -2.63 3.08 0.65 0.18 1.43 -1.26 -0.73 118.68 119.40 2buw s LEU 430 Ca 0.10 -0.09 -0.16 0.00 -1.03 0.00 0.00 54.13 52.95 2buw s LEU 430 Cb -0.00 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 2buw s LEU 430 CO -0.04 0.34 1.12 0.42 0.23 0.00 0.00 176.35 178.42 2buw s THR 431 N -0.85 3.17 0.14 5.49 -4.23 -0.45 -4.87 115.64 114.04 2buw s THR 431 Ca 0.13 0.57 -0.01 0.00 -1.18 0.00 0.00 61.69 61.21 2buw s THR 431 Cb -0.11 -3.10 0.03 0.00 1.34 0.00 0.00 72.50 70.66 2buw s THR 431 CO 0.03 -0.31 0.19 -0.90 -0.54 0.00 0.00 174.62 173.09 2buw n ASP 432 N -2.27 0.15 0.24 3.99 5.68 -0.81 -1.63 116.55 121.91 2buw n ASP 432 Ca 0.11 -1.15 0.16 0.00 -0.50 0.00 0.00 54.79 53.41 2buw n ASP 432 Cb 0.52 -0.13 0.80 0.00 -1.14 0.00 0.00 41.12 41.16 2buw n ASP 432 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2buw h ASP 433 N -0.17 0.00 -0.33 -1.12 3.32 -1.91 -0.46 116.42 115.74 2buw h ASP 433 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2buw h ASP 433 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2buw h ASP 433 CO 0.06 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.17 2buw n ASN 434 N -2.69 3.10 0.00 6.45 3.02 -1.26 -4.79 115.26 119.08 2buw n ASN 434 Ca -0.01 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 2buw n ASN 434 Cb 0.14 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 2buw n ASN 434 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2buw n GLY 435 N 1.43 0.53 3.82 7.41 0.00 -0.18 -4.72 105.19 113.48 2buw n GLY 435 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2buw n GLY 435 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2buw s TYR 436 N -2.08 3.53 0.04 1.61 5.04 -1.26 -0.41 117.35 123.82 2buw s TYR 436 Ca 0.00 1.49 -0.01 0.00 -2.44 0.00 0.00 57.07 56.10 2buw s TYR 436 Cb 0.00 -2.72 -0.03 0.00 0.35 0.00 0.00 41.96 39.56 2buw s TYR 436 CO 0.00 0.16 -0.01 1.52 -1.34 0.00 0.00 175.55 175.88 2buw s TYR 437 N -1.78 0.37 -0.21 4.97 -0.85 0.02 -1.92 117.35 117.95 2buw s TYR 437 Ca 0.51 -0.77 -0.15 0.00 -0.52 0.00 0.00 57.07 56.14 2buw s TYR 437 Cb -0.14 -0.27 0.06 0.00 0.38 0.00 0.00 41.96 41.99 2buw s TYR 437 CO 0.19 -0.31 0.52 0.54 -1.52 0.00 0.00 175.55 174.98 2buw s VAL 438 N -2.78 -0.01 0.13 -3.49 0.11 -1.26 -1.95 120.40 111.16 2buw s VAL 438 Ca -0.04 0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 58.98 2buw s VAL 438 Cb -0.00 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 34.08 2buw s VAL 438 CO -0.06 0.01 0.17 0.72 -3.33 0.00 0.00 175.10 172.61 2buw s PHE 439 N 0.84 0.49 0.09 1.54 -0.71 -0.54 -4.95 117.98 114.74 2buw s PHE 439 Ca -0.04 -0.89 0.08 0.00 -1.04 0.00 0.00 56.93 55.04 2buw s PHE 439 Cb -0.05 -0.21 -0.03 0.00 -1.21 0.00 0.00 43.02 41.51 2buw s PHE 439 CO -0.07 -0.59 -0.21 0.50 -1.34 0.00 0.00 175.22 173.51 2buw s ARG 440 N -3.96 1.17 0.12 1.99 3.52 -0.78 -1.19 118.95 119.81 2buw s ARG 440 Ca 0.16 -1.14 -0.07 0.00 -0.13 0.00 0.00 55.73 54.55 2buw s ARG 440 Cb 0.05 -1.42 0.03 0.00 -1.56 0.00 0.00 34.95 32.05 2buw s ARG 440 CO -0.03 0.34 0.36 -2.37 -0.81 0.00 0.00 175.30 172.79 2buw n THR 441 N 1.19 0.00 -3.95 4.11 5.66 -0.38 -0.66 114.28 120.24 2buw n THR 441 Ca -0.19 -0.33 -0.35 0.00 -3.05 0.00 0.00 64.05 60.13 2buw n THR 441 Cb 0.53 0.36 -0.09 0.00 -1.55 0.00 0.00 70.33 69.59 2buw n THR 441 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2buw s ILE 442 N -2.53 5.03 0.22 1.09 -1.09 -1.26 -1.39 121.20 121.27 2buw s ILE 442 Ca 0.08 0.05 -0.31 0.00 -2.23 0.00 0.00 60.65 58.23 2buw s ILE 442 Cb -0.02 -3.25 -0.10 0.00 -1.58 0.00 0.00 42.46 37.51 2buw s ILE 442 CO 0.04 0.50 1.54 -0.75 -1.23 0.00 0.00 174.94 175.04 2buw s LYS 443 N -0.00 4.21 0.54 2.79 2.20 0.67 -4.88 119.74 125.26 2buw s LYS 443 Ca 0.07 2.40 -0.17 0.00 -0.36 0.00 0.00 55.97 57.92 2buw s LYS 443 Cb -0.12 -3.11 -0.06 0.00 -1.51 0.00 0.00 37.83 33.03 2buw s LYS 443 CO 0.00 -0.56 1.02 -1.25 -0.36 0.00 0.00 175.35 174.20 2buw s PRO 444 N 0.31 3.69 0.31 4.03 0.04 -1.26 -4.36 135.00 137.76 2buw s PRO 444 Ca 0.65 1.11 -0.05 0.00 0.04 0.00 0.00 61.00 62.76 2buw s PRO 444 Cb -0.44 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.95 2buw s PRO 444 CO 0.39 -0.50 0.59 0.20 0.04 0.00 0.00 177.00 177.72 2buw s GLY 445 N -2.77 1.81 1.01 0.56 0.00 -0.72 -4.68 107.32 102.52 2buw s GLY 445 Ca 0.62 -0.54 -0.12 0.00 0.00 0.00 0.00 44.72 44.68 2buw s GLY 445 CO 0.31 -0.43 1.08 -4.14 0.00 0.00 0.00 173.10 169.92 2buw s PRO 446 N -3.69 0.34 0.08 2.90 0.02 -1.26 -3.99 135.00 129.40 2buw s PRO 446 Ca 0.45 0.81 -0.18 0.00 0.02 0.00 0.00 61.00 62.09 2buw s PRO 446 Cb -0.11 -1.70 0.04 0.00 0.02 0.00 0.00 34.50 32.75 2buw s PRO 446 CO 0.31 -2.87 0.42 1.52 -0.33 0.00 0.00 177.00 176.06 2buw s TYR 447 N -2.78 -0.27 0.29 6.54 -0.85 -1.13 -4.27 117.35 114.89 2buw s TYR 447 Ca 0.66 0.13 -0.12 0.00 -0.52 0.00 0.00 57.07 57.22 2buw s TYR 447 Cb -0.21 0.26 -0.08 0.00 0.38 0.00 0.00 41.96 42.31 2buw s TYR 447 CO 0.59 -0.64 0.66 -1.25 -1.52 0.00 0.00 175.55 173.40 2buw s PRO 448 N -3.01 3.88 0.13 -3.49 0.04 -1.26 -0.79 135.00 130.49 2buw s PRO 448 Ca -0.02 0.46 -0.11 0.00 0.04 0.00 0.00 61.00 61.37 2buw s PRO 448 Cb 0.00 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 32.03 2buw s PRO 448 CO -0.06 0.20 0.28 1.67 0.04 0.00 0.00 177.00 179.13 2buw s TRP 449 N -1.96 0.15 -0.48 0.56 1.48 -0.58 -4.93 118.94 113.18 2buw s TRP 449 Ca 0.51 -0.53 -0.19 0.00 -1.06 0.00 0.00 56.10 54.83 2buw s TRP 449 Cb -0.11 0.03 0.05 0.00 -1.16 0.00 0.00 33.47 32.28 2buw s TRP 449 CO 0.21 -0.65 0.57 0.50 -4.06 0.00 0.00 176.95 173.51 2buw s ARG 450 N -3.89 3.12 0.00 3.25 3.52 -1.26 -3.58 118.95 120.12 2buw s ARG 450 Ca 0.09 -0.85 0.00 0.00 -0.13 0.00 0.00 55.73 54.84 2buw s ARG 450 Cb 0.03 -4.06 0.00 0.00 -1.56 0.00 0.00 34.95 29.36 2buw s ARG 450 CO -0.07 -1.11 0.00 -1.71 -0.81 0.00 0.00 175.30 171.60 2buw n ASN 451 N 5.98 0.00 -4.92 -2.12 5.15 -1.26 -5.01 115.26 113.08 2buw n ASN 451 Ca -0.07 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.65 2buw n ASN 451 Cb 0.46 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.75 2buw n ASN 451 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2buw s ARG 452 N 0.00 2.67 0.38 1.20 0.52 -1.26 -4.98 118.95 117.48 2buw s ARG 452 Ca 0.00 -0.06 0.10 0.00 -0.52 0.00 0.00 55.73 55.25 2buw s ARG 452 Cb 0.00 -2.22 0.75 0.00 0.52 0.00 0.00 34.95 34.00 2buw s ARG 452 CO 0.00 -0.91 1.89 0.97 0.02 0.00 0.00 175.30 177.27 2buw h ILE 453 N -0.36 1.19 -1.48 1.52 6.09 -1.95 -3.04 117.51 119.48 2buw h ILE 453 Ca -0.45 -0.88 -0.65 0.00 -1.37 0.00 0.00 64.86 61.50 2buw h ILE 453 Cb 1.28 1.29 -0.36 0.00 0.47 0.00 0.00 36.82 39.50 2buw h ILE 453 CO 0.61 0.27 0.06 -3.20 -3.07 0.00 0.00 178.15 172.81 2buw n ASN 454 N -4.24 6.07 -4.82 2.19 2.85 -1.26 -4.79 115.26 111.26 2buw n ASN 454 Ca -0.01 -3.77 -0.36 0.00 -0.11 0.00 0.00 54.58 50.32 2buw n ASN 454 Cb 0.30 -0.71 -0.06 0.00 1.24 0.00 0.00 39.78 40.55 2buw n ASN 454 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2buw s GLU 455 N -3.76 4.19 -0.01 1.20 2.56 -1.15 -5.00 118.70 116.73 2buw s GLU 455 Ca 0.52 0.77 0.01 0.00 0.00 0.00 0.00 54.97 56.28 2buw s GLU 455 Cb 0.43 -2.95 0.00 0.00 2.00 0.00 0.00 34.13 33.62 2buw s GLU 455 CO -0.20 0.45 -0.04 -1.58 -0.56 0.00 0.00 175.26 173.33 2buw s TRP 456 N -1.45 0.40 -0.01 5.30 0.52 -1.26 -1.52 118.94 120.92 2buw s TRP 456 Ca 0.40 -0.07 -0.01 0.00 0.02 0.00 0.00 56.10 56.43 2buw s TRP 456 Cb -0.17 -0.31 -0.04 0.00 -1.15 0.00 0.00 33.47 31.80 2buw s TRP 456 CO 0.21 -0.04 0.12 -1.12 0.02 0.00 0.00 176.95 176.13 2buw s SER 457 N 0.17 5.96 0.88 2.95 0.01 0.03 -4.66 113.70 119.03 2buw s SER 457 Ca -0.02 0.23 -0.11 0.00 1.31 0.00 0.00 55.95 57.36 2buw s SER 457 Cb -0.05 -1.78 0.12 0.00 0.21 0.00 0.00 66.02 64.52 2buw s SER 457 CO -0.00 0.27 1.09 -2.16 0.41 0.00 0.00 173.24 172.85 2buw s PRO 458 N -1.79 1.41 0.37 12.44 0.04 -1.26 -2.82 135.00 143.38 2buw s PRO 458 Ca 0.24 0.79 -0.28 0.00 0.04 0.00 0.00 61.00 61.79 2buw s PRO 458 Cb -0.12 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.48 2buw s PRO 458 CO 0.15 -2.13 1.46 0.00 0.04 0.00 0.00 177.00 176.52 2buw n ALA 459 N -3.80 2.19 -3.39 8.56 0.00 -1.26 -4.77 120.51 118.04 2buw n ALA 459 Ca 0.07 0.35 -0.14 0.00 0.00 0.00 0.00 53.44 53.72 2buw n ALA 459 Cb 0.55 -2.39 -0.04 0.00 0.00 0.00 0.00 19.45 17.57 2buw n ALA 459 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2buw s HIS 460 N -1.08 -0.52 -0.17 0.00 -3.43 -1.26 -4.04 115.29 104.80 2buw s HIS 460 Ca 0.54 0.53 -0.01 0.00 -0.80 0.00 0.00 55.06 55.32 2buw s HIS 460 Cb -0.49 0.45 -0.01 0.00 -1.43 0.00 0.00 32.58 31.10 2buw s HIS 460 CO 0.63 -0.73 -0.12 0.42 -2.00 0.00 0.00 174.74 172.95 2buw s ILE 461 N -2.78 2.92 0.38 -5.38 1.01 -0.75 -4.62 121.20 111.98 2buw s ILE 461 Ca -0.04 -0.68 -0.24 0.00 0.00 0.00 0.00 60.65 59.70 2buw s ILE 461 Cb -0.00 -2.26 -0.10 0.00 0.01 0.00 0.00 42.46 40.11 2buw s ILE 461 CO -0.04 0.50 0.98 -1.00 0.00 0.00 0.00 174.94 175.37 2buw s HIS 462 N 0.90 3.45 0.05 3.97 3.76 -0.13 -1.39 115.29 125.90 2buw s HIS 462 Ca -0.03 1.69 -0.06 0.00 -0.15 0.00 0.00 55.06 56.51 2buw s HIS 462 Cb -0.15 -2.97 -0.01 0.00 1.11 0.00 0.00 32.58 30.56 2buw s HIS 462 CO -0.01 -0.15 0.12 -0.59 -0.85 0.00 0.00 174.74 173.26 2buw s PHE 463 N -1.78 0.21 0.00 1.40 -0.12 -0.34 -1.92 117.98 115.44 2buw s PHE 463 Ca 0.56 -0.57 0.01 0.00 -0.05 0.00 0.00 56.93 56.87 2buw s PHE 463 Cb -0.17 -0.14 -0.00 0.00 -0.63 0.00 0.00 43.02 42.07 2buw s PHE 463 CO 0.22 -0.42 -0.02 0.45 -0.05 0.00 0.00 175.22 175.40 2buw s SER 464 N -2.42 0.28 -0.05 1.98 0.15 -0.22 -1.08 113.70 112.34 2buw s SER 464 Ca -0.01 -0.10 0.02 0.00 0.70 0.00 0.00 55.95 56.57 2buw s SER 464 Cb 0.02 -0.01 0.01 0.00 -1.71 0.00 0.00 66.02 64.32 2buw s SER 464 CO -0.07 -0.01 -0.11 -0.76 1.20 0.00 0.00 173.24 173.49 2buw s LEU 465 N -0.23 1.68 -0.17 3.45 1.02 -0.34 -1.48 118.68 122.60 2buw s LEU 465 Ca -0.01 -0.25 0.01 0.00 0.02 0.00 0.00 54.13 53.90 2buw s LEU 465 Cb -0.02 -0.71 0.02 0.00 0.02 0.00 0.00 46.19 45.50 2buw s LEU 465 CO -0.00 0.05 -0.18 -0.63 0.02 0.00 0.00 176.35 175.61 2buw s ILE 466 N 0.48 1.92 0.00 -0.59 1.01 -0.68 -3.03 121.20 120.30 2buw s ILE 466 Ca -0.09 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.68 2buw s ILE 466 Cb -0.13 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.58 2buw s ILE 466 CO 0.02 0.49 0.00 0.00 0.00 0.00 0.00 174.94 175.46 2buw n ALA 467 N 4.66 0.00 -0.00 9.38 0.00 -1.26 -0.53 120.51 132.76 2buw n ALA 467 Ca -0.20 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.16 2buw n ALA 467 Cb 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.81 2buw n ALA 467 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2buw h ASP 468 N 0.00 0.01 -4.34 0.00 5.19 -1.92 -3.43 116.42 111.93 2buw h ASP 468 Ca 0.00 -0.02 -0.45 0.00 -0.62 0.00 0.00 57.03 55.94 2buw h ASP 468 Cb 0.00 -0.00 -0.24 0.00 0.18 0.00 0.00 39.33 39.26 2buw h ASP 468 CO 0.00 1.02 -0.79 -0.83 -3.12 0.00 0.00 179.24 175.51 2buw s GLY 469 N -5.01 0.82 0.42 2.75 0.00 -1.26 -3.28 107.32 101.75 2buw s GLY 469 Ca -0.04 -0.87 0.09 0.00 0.00 0.00 0.00 44.72 43.91 2buw s GLY 469 CO 0.82 -0.85 2.04 -0.25 0.00 0.00 0.00 173.10 174.87 2buw h TRP 470 N 4.82 0.48 0.00 1.90 -0.00 0.21 -0.75 115.95 122.62 2buw h TRP 470 Ca -0.39 0.01 -0.00 0.00 -0.00 0.00 0.00 58.89 58.51 2buw h TRP 470 Cb 1.18 -0.16 -0.00 0.00 -0.00 0.00 0.00 29.16 30.18 2buw h TRP 470 CO 0.55 0.28 -0.00 0.00 -0.00 0.00 0.00 178.44 179.27 2buw h ALA 471 N 1.74 1.58 0.00 2.65 0.00 -1.50 -0.63 119.26 123.10 2buw h ALA 471 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2buw h ALA 471 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2buw h ALA 471 CO -0.04 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.25 2buw n GLN 472 N -3.93 0.02 -1.67 0.00 6.02 -0.29 -4.92 117.38 112.62 2buw n GLN 472 Ca -0.03 0.03 -0.57 0.00 -0.01 0.00 0.00 57.00 56.42 2buw n GLN 472 Cb 0.08 -1.53 -0.07 0.00 1.02 0.00 0.00 30.24 29.74 2buw n GLN 472 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2buw n ARG 473 N -1.57 0.92 -3.79 -1.09 3.00 -0.25 -4.79 116.66 109.09 2buw n ARG 473 Ca 0.07 0.33 -0.13 0.00 -0.00 0.00 0.00 57.85 58.13 2buw n ARG 473 Cb 0.34 -1.97 -0.11 0.00 0.00 0.00 0.00 32.46 30.72 2buw n ARG 473 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2buw s LEU 474 N 2.36 1.07 -0.03 6.15 2.96 -1.17 -5.04 118.68 124.98 2buw s LEU 474 Ca 0.95 0.37 0.02 0.00 -0.22 0.00 0.00 54.13 55.25 2buw s LEU 474 Cb -1.11 0.90 0.00 0.00 0.50 0.00 0.00 46.19 46.49 2buw s LEU 474 CO 0.62 -0.17 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.75 2buw s ILE 475 N -0.25 0.82 0.00 6.68 1.01 -1.26 -1.19 121.20 127.01 2buw s ILE 475 Ca -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.24 2buw s ILE 475 Cb -0.03 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.70 2buw s ILE 475 CO 0.01 0.26 0.00 -0.24 0.00 0.00 0.00 174.94 174.97 2buw n SER 476 N 3.37 0.00 -3.54 3.58 2.88 -0.24 -5.02 113.62 114.66 2buw n SER 476 Ca -0.19 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.19 2buw n SER 476 Cb 0.54 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.94 2buw n SER 476 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2buw s GLN 477 N 1.37 1.05 0.19 -1.46 -2.07 -1.26 -1.20 119.66 116.29 2buw s GLN 477 Ca 0.00 0.03 0.11 0.00 -1.82 0.00 0.00 55.36 53.68 2buw s GLN 477 Cb 0.00 0.49 -0.04 0.00 -1.09 0.00 0.00 33.01 32.37 2buw s GLN 477 CO 0.00 -0.36 -0.23 -0.59 -1.32 0.00 0.00 175.29 172.80 2buw s PHE 478 N -1.79 2.33 0.52 9.60 -0.12 -0.48 -4.88 117.98 123.16 2buw s PHE 478 Ca -0.08 -0.35 0.05 0.00 -0.05 0.00 0.00 56.93 56.50 2buw s PHE 478 Cb -0.01 -1.15 0.02 0.00 -0.63 0.00 0.00 43.02 41.25 2buw s PHE 478 CO 0.04 0.50 0.33 0.71 -0.05 0.00 0.00 175.22 176.76 2buw s TYR 479 N -1.69 1.80 -0.12 3.49 1.51 0.10 -1.81 117.35 120.63 2buw s TYR 479 Ca 0.21 -0.81 -0.01 0.00 -1.01 0.00 0.00 57.07 55.45 2buw s TYR 479 Cb -0.08 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 39.86 2buw s TYR 479 CO 0.10 -0.31 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.07 2buw s PHE 480 N -2.75 2.86 -0.00 2.71 0.40 -1.26 0.17 117.98 120.11 2buw s PHE 480 Ca 0.32 -0.48 -0.40 0.00 -0.60 0.00 0.00 56.93 55.77 2buw s PHE 480 Cb -0.01 -1.84 -0.19 0.00 0.51 0.00 0.00 43.02 41.48 2buw s PHE 480 CO 0.19 -0.10 1.15 -1.91 0.70 0.00 0.00 175.22 175.24 2buw n GLU 481 N 3.34 0.24 -0.01 0.44 2.13 -0.48 -1.90 120.64 124.39 2buw n GLU 481 Ca -0.18 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.73 2buw n GLU 481 Cb 0.53 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.62 2buw n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2buw n GLY 482 N 1.81 1.78 3.67 8.31 0.00 -1.26 -4.95 105.19 114.54 2buw n GLY 482 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2buw n GLY 482 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2buw s ASP 483 N -3.20 6.46 0.44 1.61 3.68 -0.80 -4.83 116.67 120.02 2buw s ASP 483 Ca 0.00 2.66 0.30 0.00 2.13 0.00 0.00 52.55 57.64 2buw s ASP 483 Cb 0.00 -2.54 1.23 0.00 -1.45 0.00 0.00 42.92 40.16 2buw s ASP 483 CO 0.00 -1.04 1.88 0.71 0.13 0.00 0.00 175.17 176.85 2buw h THR 484 N 5.46 0.00 0.00 1.71 1.35 -1.96 -2.72 112.91 116.75 2buw h THR 484 Ca -0.48 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 2buw h THR 484 Cb 1.23 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 2buw h THR 484 CO 0.94 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 176.39 2buw n LEU 485 N -2.75 0.11 -0.27 3.87 4.77 -1.26 -3.36 117.00 118.11 2buw n LEU 485 Ca 0.01 0.52 -0.00 0.00 -0.03 0.00 0.00 56.01 56.51 2buw n LEU 485 Cb 0.27 -0.49 0.20 0.00 -2.33 0.00 0.00 43.42 41.08 2buw n LEU 485 CO 0.24 -0.13 1.26 0.40 -1.33 0.00 0.00 177.39 177.83 2buw h ILE 486 N 0.00 1.21 0.00 -0.08 2.04 -1.87 -1.93 117.51 116.88 2buw h ILE 486 Ca 0.00 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2buw h ILE 486 Cb 0.43 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 2buw h ILE 486 CO 0.00 0.21 0.00 0.47 0.00 0.00 0.00 178.15 178.83 2buw n ASP 487 N -4.41 0.00 -0.00 1.72 8.00 -1.21 -3.64 116.55 117.00 2buw n ASP 487 Ca 0.09 0.15 0.03 0.00 0.71 0.00 0.00 54.79 55.78 2buw n ASP 487 Cb 0.02 -0.35 -0.05 0.00 -0.02 0.00 0.00 41.12 40.73 2buw n ASP 487 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2buw n SER 488 N -1.35 2.22 -4.67 -2.24 7.64 -0.75 -5.04 113.62 109.44 2buw n SER 488 Ca 0.08 -0.26 -0.42 0.00 1.01 0.00 0.00 58.87 59.28 2buw n SER 488 Cb 0.17 1.19 -0.03 0.00 -1.01 0.00 0.00 64.21 64.53 2buw n SER 488 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2buw h PRO 490 N 8.93 0.00 -0.29 0.00 0.11 -1.90 -0.07 132.00 138.77 2buw h PRO 490 Ca -0.37 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.56 2buw h PRO 490 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2buw h PRO 490 CO 0.95 0.33 -0.49 0.82 -0.21 0.00 0.00 178.00 179.39 2buw h ILE 491 N 0.00 1.28 -0.18 4.15 2.04 -1.91 -2.73 117.51 120.16 2buw h ILE 491 Ca -0.00 -1.68 -0.13 0.00 1.00 0.00 0.00 64.86 64.05 2buw h ILE 491 Cb 0.59 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2buw h ILE 491 CO 0.04 0.55 -0.46 0.25 0.00 0.00 0.00 178.15 178.53 2buw h LEU 492 N 0.63 0.48 0.00 1.44 5.85 -1.86 -2.57 115.31 119.29 2buw h LEU 492 Ca 0.02 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2buw h LEU 492 Cb 1.10 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2buw h LEU 492 CO 0.11 0.87 0.00 0.29 -0.34 0.00 0.00 178.44 179.38 2buw n LYS 493 N -4.00 0.30 0.27 1.25 5.02 -0.07 -2.02 118.16 118.91 2buw n LYS 493 Ca -0.02 0.10 0.17 0.00 -2.02 0.00 0.00 58.31 56.54 2buw n LYS 493 Cb 0.54 -1.50 0.67 0.00 -0.02 0.00 0.00 35.03 34.72 2buw n LYS 493 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2buw h THR 494 N 0.00 0.00 -3.22 -0.18 1.35 -1.14 -3.42 112.91 106.30 2buw h THR 494 Ca 0.00 -0.50 -0.54 0.00 -0.55 0.00 0.00 66.41 64.81 2buw h THR 494 Cb 0.12 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.02 2buw h THR 494 CO 0.00 0.00 0.56 -0.63 -0.25 0.00 0.00 175.52 175.20 2buw s ILE 495 N -3.64 4.40 0.17 6.82 1.01 -0.86 -4.22 121.20 124.88 2buw s ILE 495 Ca 0.01 1.71 -0.13 0.00 0.00 0.00 0.00 60.65 62.25 2buw s ILE 495 Cb 0.09 -4.10 0.07 0.00 0.01 0.00 0.00 42.46 38.53 2buw s ILE 495 CO 0.54 0.08 1.78 -0.65 0.00 0.00 0.00 174.94 176.68 2buw h PRO 496 N 7.03 0.78 -6.18 2.79 0.11 -1.81 -3.46 132.00 131.26 2buw h PRO 496 Ca -0.38 -0.09 -0.66 0.00 0.11 0.00 0.00 66.00 64.98 2buw h PRO 496 Cb 1.19 -0.15 -0.12 0.00 0.11 0.00 0.00 31.00 32.03 2buw h PRO 496 CO 0.82 0.60 -0.63 -1.54 -0.21 0.00 0.00 178.00 177.04 2buw s SER 497 N -5.87 5.25 0.22 -2.05 1.04 -1.26 -5.01 113.70 106.02 2buw s SER 497 Ca -0.13 -0.03 -0.07 0.00 0.48 0.00 0.00 55.95 56.20 2buw s SER 497 Cb 0.12 -1.37 0.19 0.00 0.10 0.00 0.00 66.02 65.06 2buw s SER 497 CO 0.77 0.23 1.83 -0.08 0.98 0.00 0.00 173.24 176.97 2buw h GLU 498 N 3.90 1.22 0.00 4.02 4.57 -2.00 -1.56 114.58 124.74 2buw h GLU 498 Ca -0.48 -0.16 -0.06 0.00 -1.18 0.00 0.00 59.36 57.48 2buw h GLU 498 Cb 1.17 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 2buw h GLU 498 CO 0.60 0.91 -0.28 -0.56 -1.18 0.00 0.00 179.01 178.50 2buw h GLN 499 N 1.21 0.00 0.01 1.92 3.07 -1.99 -1.82 115.11 117.51 2buw h GLN 499 Ca 0.30 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.83 2buw h GLN 499 Cb 0.08 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.61 2buw h GLN 499 CO -0.04 0.28 -0.96 1.96 0.09 0.00 0.00 178.83 180.16 2buw h GLN 500 N 0.00 0.03 -0.20 0.06 1.08 -1.85 -2.43 115.11 111.80 2buw h GLN 500 Ca -0.00 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.07 2buw h GLN 500 Cb 0.52 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 2buw h GLN 500 CO 0.04 0.97 -0.24 0.00 -0.95 0.00 0.00 178.83 178.64 2buw h ARG 501 N 0.01 0.37 0.00 1.46 3.08 -0.62 -2.27 114.38 116.41 2buw h ARG 501 Ca -0.02 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 2buw h ARG 501 Cb 1.69 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.70 2buw h ARG 501 CO 0.13 0.59 -0.20 0.00 -1.07 0.00 0.00 179.97 179.43 2buw h ARG 502 N 0.33 0.00 0.00 0.04 3.08 -1.21 -2.45 114.38 114.17 2buw h ARG 502 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2buw h ARG 502 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2buw h ARG 502 CO 0.04 0.20 0.00 0.00 -1.07 0.00 0.00 179.97 179.14 2buw n ALA 503 N -2.19 1.63 -0.34 0.04 0.00 -0.85 -1.95 120.51 116.85 2buw n ALA 503 Ca 0.01 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.50 2buw n ALA 503 Cb 0.46 -1.19 0.27 0.00 0.00 0.00 0.00 19.45 18.99 2buw n ALA 503 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2buw n LEU 504 N -1.37 3.68 -4.55 0.00 4.77 -0.92 -4.94 117.00 113.68 2buw n LEU 504 Ca 0.04 -2.05 -0.38 0.00 -0.03 0.00 0.00 56.01 53.60 2buw n LEU 504 Cb 0.11 -0.41 -0.11 0.00 -2.33 0.00 0.00 43.42 40.67 2buw n LEU 504 CO 0.10 0.89 -0.20 -0.63 -1.33 0.00 0.00 177.39 176.21 2buw s ILE 505 N -1.09 5.03 0.27 -0.08 1.01 -0.83 0.00 121.20 125.51 2buw s ILE 505 Ca 0.41 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.84 2buw s ILE 505 Cb 0.22 -3.38 -0.09 0.00 0.01 0.00 0.00 42.46 39.21 2buw s ILE 505 CO 0.27 0.28 1.03 0.00 0.00 0.00 0.00 174.94 176.51 2buw s ALA 506 N 1.71 3.37 -0.05 9.38 0.00 0.13 -4.86 121.76 131.44 2buw s ALA 506 Ca 0.07 0.77 -0.03 0.00 0.00 0.00 0.00 51.96 52.77 2buw s ALA 506 Cb -0.16 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 2buw s ALA 506 CO 0.09 -0.00 0.10 -0.51 0.00 0.00 0.00 175.76 175.44 2buw s LEU 507 N -1.37 4.05 0.24 0.00 1.43 0.08 -1.39 118.68 121.73 2buw s LEU 507 Ca 0.43 0.26 -0.31 0.00 -1.03 0.00 0.00 54.13 53.49 2buw s LEU 507 Cb -0.29 -2.21 -0.12 0.00 0.03 0.00 0.00 46.19 43.61 2buw s LEU 507 CO 0.37 0.32 1.67 -0.70 0.23 0.00 0.00 176.35 178.24 2buw s GLU 508 N -1.45 4.12 -0.68 1.70 2.12 -1.26 0.06 118.70 123.30 2buw s GLU 508 Ca 0.20 2.60 0.05 0.00 0.36 0.00 0.00 54.97 58.18 2buw s GLU 508 Cb -0.12 -3.05 0.18 0.00 0.26 0.00 0.00 34.13 31.40 2buw s GLU 508 CO 0.10 -0.71 0.53 -3.47 -0.54 0.00 0.00 175.26 171.17 2buw n ASP 509 N 3.27 2.95 -0.16 -1.70 -0.08 -0.01 -4.81 116.55 116.01 2buw n ASP 509 Ca 0.13 -3.21 0.02 0.00 -1.51 0.00 0.00 54.79 50.22 2buw n ASP 509 Cb 0.36 -0.73 0.30 0.00 2.34 0.00 0.00 41.12 43.39 2buw n ASP 509 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2buw h LYS 510 N 5.19 0.85 0.00 -0.67 3.64 -1.92 -1.21 116.57 122.45 2buw h LYS 510 Ca 0.16 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2buw h LYS 510 Cb 0.75 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2buw h LYS 510 CO 0.72 0.56 -0.03 0.77 -2.27 0.00 0.00 179.45 179.20 2buw h SER 511 N 0.88 0.00 -0.67 4.20 0.02 -1.96 -2.30 113.55 113.72 2buw h SER 511 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2buw h SER 511 Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2buw h SER 511 CO -0.06 0.03 0.00 0.59 -1.14 0.00 0.00 176.83 176.25 2buw n ASN 512 N -3.20 4.15 -4.77 3.07 3.02 -0.46 -4.96 115.26 112.12 2buw n ASN 512 Ca -0.01 -2.20 -0.35 0.00 -0.03 0.00 0.00 54.58 51.99 2buw n ASN 512 Cb 0.21 -0.52 0.02 0.00 -0.61 0.00 0.00 39.78 38.88 2buw n ASN 512 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2buw s PHE 513 N -1.42 2.56 -0.25 3.10 0.40 -0.87 -4.63 117.98 116.87 2buw s PHE 513 Ca 0.48 1.54 -0.06 0.00 -0.60 0.00 0.00 56.93 58.29 2buw s PHE 513 Cb 0.28 -3.33 -0.02 0.00 0.51 0.00 0.00 43.02 40.47 2buw s PHE 513 CO 0.28 -1.80 0.04 0.42 0.70 0.00 0.00 175.22 174.86 2buw s ILE 514 N -1.84 3.98 0.26 0.64 1.01 0.46 -5.00 121.20 120.72 2buw s ILE 514 Ca 0.73 -0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.72 2buw s ILE 514 Cb -0.25 -2.89 -0.14 0.00 0.01 0.00 0.00 42.46 39.19 2buw s ILE 514 CO 0.32 0.31 1.16 -1.84 0.00 0.00 0.00 174.94 174.89 2buw n GLU 515 N 4.88 1.53 -3.06 2.79 0.00 -1.26 -1.57 120.64 123.95 2buw n GLU 515 Ca -0.16 0.54 -0.20 0.00 0.00 0.00 0.00 57.16 57.34 2buw n GLU 515 Cb 0.51 -2.02 -0.00 0.00 0.00 0.00 0.00 31.44 29.92 2buw n GLU 515 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2buw n ALA 516 N 0.87 -0.97 -0.50 -1.84 0.00 -1.26 -4.69 120.51 112.11 2buw n ALA 516 Ca 0.11 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2buw n ALA 516 Cb 0.31 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.27 2buw n ALA 516 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2buw n ASP 517 N -2.16 0.00 -3.89 0.00 4.64 -0.61 -5.17 116.55 109.36 2buw n ASP 517 Ca -0.06 0.00 -0.11 0.00 -1.38 0.00 0.00 54.79 53.24 2buw n ASP 517 Cb 0.57 0.08 -0.10 0.00 -1.04 0.00 0.00 41.12 40.62 2buw n ASP 517 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 2buw s SER 518 N -0.90 0.05 0.88 1.67 0.01 -0.82 -4.73 113.70 109.86 2buw s SER 518 Ca 0.00 -0.22 -0.09 0.00 1.31 0.00 0.00 55.95 56.95 2buw s SER 518 Cb 0.00 0.19 0.19 0.00 0.21 0.00 0.00 66.02 66.61 2buw s SER 518 CO 0.00 -0.32 1.17 0.54 0.41 0.00 0.00 173.24 175.04 2buw n ARG 519 N 1.65 -0.74 -3.76 12.44 1.74 -0.63 -0.40 116.66 126.96 2buw n ARG 519 Ca -0.22 -2.36 -0.13 0.00 -0.77 0.00 0.00 57.85 54.37 2buw n ARG 519 Cb 0.56 -1.03 -0.11 0.00 -1.02 0.00 0.00 32.46 30.85 2buw n ARG 519 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2buw s TYR 521 N 0.32 2.03 -0.15 0.00 1.51 0.04 -0.83 117.35 120.26 2buw s TYR 521 Ca -0.01 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.63 2buw s TYR 521 Cb -0.03 -1.18 -0.02 0.00 -0.11 0.00 0.00 41.96 40.61 2buw s TYR 521 CO -0.01 0.15 -0.07 0.50 -1.11 0.00 0.00 175.55 175.00 2buw s ARG 522 N -1.39 3.57 -0.18 -0.62 6.06 0.11 -1.42 118.95 125.08 2buw s ARG 522 Ca 0.09 -0.58 -0.04 0.00 -2.50 0.00 0.00 55.73 52.71 2buw s ARG 522 Cb -0.09 -2.82 0.09 0.00 0.06 0.00 0.00 34.95 32.19 2buw s ARG 522 CO 0.03 0.23 0.27 0.12 -2.50 0.00 0.00 175.30 173.44 2buw s PHE 523 N 0.36 -0.44 0.11 5.12 5.36 -0.40 -0.74 117.98 127.35 2buw s PHE 523 Ca -0.06 0.64 0.02 0.00 -0.96 0.00 0.00 56.93 56.56 2buw s PHE 523 Cb -0.15 -0.16 -0.04 0.00 -0.34 0.00 0.00 43.02 42.34 2buw s PHE 523 CO 0.04 -0.53 0.22 -0.51 -1.46 0.00 0.00 175.22 172.98 2buw s ASP 524 N 2.41 6.14 -0.03 6.13 -0.00 -1.26 -3.82 116.67 126.24 2buw s ASP 524 Ca 0.06 0.14 0.05 0.00 -0.00 0.00 0.00 52.55 52.80 2buw s ASP 524 Cb -0.14 -1.81 -0.01 0.00 -0.00 0.00 0.00 42.92 40.95 2buw s ASP 524 CO -0.11 0.11 -0.19 -0.63 -0.00 0.00 0.00 175.17 174.34 2buw s ILE 525 N -1.62 1.57 -0.11 0.77 1.01 -0.22 -4.95 121.20 117.64 2buw s ILE 525 Ca 0.34 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 60.20 2buw s ILE 525 Cb -0.12 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.03 2buw s ILE 525 CO 0.27 0.45 -0.23 -0.89 0.00 0.00 0.00 174.94 174.53 2buw s THR 526 N -0.26 2.09 0.42 2.92 2.01 -1.26 -1.03 115.64 120.53 2buw s THR 526 Ca 0.02 -1.00 0.07 0.00 0.31 0.00 0.00 61.69 61.10 2buw s THR 526 Cb -0.10 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 2buw s THR 526 CO 0.01 0.56 0.32 -0.76 -0.69 0.00 0.00 174.62 174.05 2buw s LEU 527 N 0.48 3.26 0.60 4.42 1.43 0.36 -4.91 118.68 124.31 2buw s LEU 527 Ca -0.15 -0.89 -0.19 0.00 -1.03 0.00 0.00 54.13 51.87 2buw s LEU 527 Cb -0.17 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 2buw s LEU 527 CO 0.06 -0.65 1.23 -0.13 0.23 0.00 0.00 176.35 177.09 2buw s ARG 528 N -4.07 2.91 0.19 1.70 0.52 -1.26 -0.12 118.95 118.82 2buw s ARG 528 Ca 0.45 1.90 0.11 0.00 -0.52 0.00 0.00 55.73 57.66 2buw s ARG 528 Cb -0.01 -1.94 -0.04 0.00 0.52 0.00 0.00 34.95 33.48 2buw s ARG 528 CO 0.26 -1.27 -0.22 0.20 0.02 0.00 0.00 175.30 174.29 2buw s GLY 529 N -1.51 1.62 0.20 -3.53 0.00 -1.26 -4.48 107.32 98.36 2buw s GLY 529 Ca 0.78 -1.61 -0.15 0.00 0.00 0.00 0.00 44.72 43.74 2buw s GLY 529 CO 0.35 -1.65 0.61 0.50 0.00 0.00 0.00 173.10 172.91 2buw s ARG 530 N -2.77 4.02 0.32 2.90 0.52 -1.26 -0.84 118.95 121.83 2buw s ARG 530 Ca 0.20 0.56 -0.10 0.00 -0.52 0.00 0.00 55.73 55.88 2buw s ARG 530 Cb -0.07 -2.82 -0.07 0.00 0.52 0.00 0.00 34.95 32.52 2buw s ARG 530 CO 0.09 0.40 0.65 1.03 0.02 0.00 0.00 175.30 177.49 2buw s ARG 531 N -2.21 3.78 0.28 3.54 0.52 -0.84 -4.91 118.95 119.11 2buw s ARG 531 Ca 0.42 0.33 -0.06 0.00 -0.52 0.00 0.00 55.73 55.91 2buw s ARG 531 Cb -0.14 -2.53 -0.05 0.00 0.52 0.00 0.00 34.95 32.75 2buw s ARG 531 CO 0.20 0.15 0.56 0.00 0.02 0.00 0.00 175.30 176.22 2buw s ALA 532 N -2.10 3.61 -0.10 2.13 0.00 -1.26 -0.79 121.76 123.25 2buw s ALA 532 Ca 0.49 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 2buw s ALA 532 Cb -0.11 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 2buw s ALA 532 CO 0.26 0.28 -0.07 0.99 0.00 0.00 0.00 175.76 177.22 2buw s THR 533 N -2.05 3.68 0.00 0.00 2.01 0.43 -4.71 115.64 115.00 2buw s THR 533 Ca 0.45 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.98 2buw s THR 533 Cb -0.11 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 69.86 2buw s THR 533 CO 0.29 0.56 0.22 -1.22 -0.69 0.00 0.00 174.62 173.78 2buw n TYR 534 N 2.75 0.00 0.00 4.92 4.02 -1.26 -4.41 117.16 123.17 2buw n TYR 534 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 2buw n TYR 534 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 2buw n TYR 534 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2buw n PHE 535 N -0.48 0.00 -1.88 -0.72 3.01 -1.26 -5.09 117.46 111.04 2buw n PHE 535 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.06 2buw n PHE 535 Cb 0.01 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.49 2buw n PHE 535 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2buw s GLU 536 N 3.82 3.84 -0.40 -1.08 8.01 -1.26 -4.98 118.70 126.65 2buw s GLU 536 Ca 0.00 2.35 0.04 0.00 0.01 0.00 0.00 54.97 57.37 2buw s GLU 536 Cb 0.00 -2.74 0.11 0.00 -4.31 0.00 0.00 34.13 27.19 2buw s GLU 536 CO 0.00 -0.67 0.13 1.21 0.01 0.00 0.00 175.26 175.94 2buw s ASN 537 N -0.53 4.56 0.00 -0.19 2.47 -1.26 -4.95 114.94 115.04 2buw s ASN 537 Ca 0.58 -2.46 0.23 0.00 0.42 0.00 0.00 52.86 51.63 2buw s ASN 537 Cb -0.42 -1.60 0.79 0.00 -1.45 0.00 0.00 41.25 38.57 2buw s ASN 537 CO 0.55 -0.33 1.58 0.47 -3.72 0.00 0.00 177.10 175.65 2buw n ASP 538 N 3.85 1.73 -0.09 -4.21 8.00 -1.26 -4.27 116.55 120.30 2buw n ASP 538 Ca 0.04 -1.68 0.14 0.00 0.71 0.00 0.00 54.79 54.01 2buw n ASP 538 Cb 0.38 -0.09 0.53 0.00 -0.02 0.00 0.00 41.12 41.93 2buw n ASP 538 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2buw h LEU 539 N 2.39 0.31 -0.46 0.64 5.85 -1.92 -3.51 115.31 118.61 2buw h LEU 539 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2buw h LEU 539 Cb 0.52 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2buw h LEU 539 CO 0.00 0.18 0.00 0.41 -0.34 0.00 0.00 178.44 178.69