#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bur s ILE 304 N 0.00 3.56 0.16 1.39 1.01 -1.26 -5.04 121.20 121.02 2bur s ILE 304 Ca 0.00 -0.47 -0.25 0.00 0.00 0.00 0.00 60.65 59.93 2bur s ILE 304 Cb 0.00 -2.65 -0.08 0.00 0.01 0.00 0.00 42.46 39.74 2bur s ILE 304 CO 0.00 0.38 0.77 0.26 0.00 0.00 0.00 174.94 176.35 2bur s TRP 305 N 1.50 3.90 0.00 3.97 0.52 -1.26 0.10 118.94 127.67 2bur s TRP 305 Ca 0.06 1.62 0.00 0.00 0.02 0.00 0.00 56.10 57.80 2bur s TRP 305 Cb -0.15 -2.76 0.00 0.00 -1.15 0.00 0.00 33.47 29.42 2bur s TRP 305 CO -0.02 0.52 0.00 0.41 0.02 0.00 0.00 176.95 177.88 2bur n GLY 306 N 1.58 2.53 3.91 0.98 0.00 0.30 -4.76 105.19 109.73 2bur n GLY 306 Ca -0.06 -1.79 -0.27 0.00 0.00 0.00 0.00 46.02 43.90 2bur n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bur s ALA 307 N -2.81 3.19 0.55 4.61 0.00 -1.26 -4.60 121.76 121.45 2bur s ALA 307 Ca 0.00 -0.63 -0.19 0.00 0.00 0.00 0.00 51.96 51.14 2bur s ALA 307 Cb 0.00 -2.71 -0.05 0.00 0.00 0.00 0.00 23.12 20.36 2bur s ALA 307 CO 0.00 -0.92 1.14 0.71 0.00 0.00 0.00 175.76 176.69 2bur s TYR 308 N -3.10 2.63 0.59 0.00 1.51 -1.26 -1.69 117.35 116.03 2bur s TYR 308 Ca 0.55 1.54 -0.19 0.00 -1.01 0.00 0.00 57.07 57.97 2bur s TYR 308 Cb -0.11 -3.31 -0.04 0.00 -0.11 0.00 0.00 41.96 38.40 2bur s TYR 308 CO 0.47 -1.66 1.19 0.00 -1.11 0.00 0.00 175.55 174.44 2bur s ALA 309 N -1.78 2.56 0.32 3.71 0.00 -0.16 -4.87 121.76 121.54 2bur s ALA 309 Ca 0.73 0.96 -0.28 0.00 0.00 0.00 0.00 51.96 53.37 2bur s ALA 309 Cb -0.25 -3.43 -0.13 0.00 0.00 0.00 0.00 23.12 19.31 2bur s ALA 309 CO 0.28 -1.11 1.21 0.94 0.00 0.00 0.00 175.76 177.08 2bur n GLN 310 N -1.59 1.89 -2.28 0.00 7.27 -1.26 -4.82 117.38 116.59 2bur n GLN 310 Ca 0.13 0.66 -0.41 0.00 0.07 0.00 0.00 57.00 57.45 2bur n GLN 310 Cb 0.50 -2.19 -0.03 0.00 2.41 0.00 0.00 30.24 30.93 2bur n GLN 310 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 2bur s ARG 311 N -1.69 4.41 -0.63 3.69 3.52 -1.26 -4.94 118.95 122.06 2bur s ARG 311 Ca 0.57 1.98 -0.23 0.00 -0.13 0.00 0.00 55.73 57.92 2bur s ARG 311 Cb -0.61 -3.23 0.06 0.00 -1.56 0.00 0.00 34.95 29.60 2bur s ARG 311 CO 0.61 -0.23 0.98 1.21 -0.81 0.00 0.00 175.30 177.06 2bur s ASN 312 N 0.44 6.23 0.64 -2.12 3.04 -1.26 -4.89 114.94 117.02 2bur s ASN 312 Ca 0.57 -0.73 0.41 0.00 0.04 0.00 0.00 52.86 53.15 2bur s ASN 312 Cb -0.35 -2.44 2.18 0.00 -1.54 0.00 0.00 41.25 39.11 2bur s ASN 312 CO 0.36 -1.40 2.29 0.71 -3.04 0.00 0.00 177.10 176.01 2bur h THR 313 N 5.99 0.05 0.00 -5.21 1.35 -1.94 -1.03 112.91 112.12 2bur h THR 313 Ca -0.28 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 2bur h THR 313 Cb 1.07 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 2bur h THR 313 CO 1.16 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.81 2bur n GLU 314 N -3.14 0.58 -0.14 4.72 1.02 -1.26 -2.72 120.64 119.70 2bur n GLU 314 Ca -0.02 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.23 2bur n GLU 314 Cb 0.12 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.27 2bur n GLU 314 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2bur n ASP 315 N -1.21 3.07 -4.35 1.62 8.00 -0.39 -4.69 116.55 118.60 2bur n ASP 315 Ca 0.17 -1.94 -0.18 0.00 0.71 0.00 0.00 54.79 53.55 2bur n ASP 315 Cb 0.21 -0.19 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 2bur n ASP 315 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2bur s HIS 316 N -1.63 1.62 0.74 1.24 3.76 -1.10 -4.93 115.29 115.00 2bur s HIS 316 Ca 0.36 -0.92 -0.11 0.00 -0.15 0.00 0.00 55.06 54.24 2bur s HIS 316 Cb 0.22 -0.95 0.04 0.00 1.11 0.00 0.00 32.58 32.99 2bur s HIS 316 CO 0.31 -0.02 1.08 -1.25 -0.85 0.00 0.00 174.74 174.01 2bur s PRO 317 N -3.86 2.49 0.67 8.40 0.04 -1.26 -4.45 135.00 137.02 2bur s PRO 317 Ca 0.30 1.13 -0.08 0.00 0.04 0.00 0.00 61.00 62.39 2bur s PRO 317 Cb 0.06 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.70 2bur s PRO 317 CO 0.10 -1.46 0.99 -1.25 0.04 0.00 0.00 177.00 175.42 2bur s PRO 318 N -4.86 2.59 0.07 0.56 0.04 -1.26 -4.99 135.00 127.15 2bur s PRO 318 Ca 0.61 -0.00 -0.16 0.00 0.04 0.00 0.00 61.00 61.48 2bur s PRO 318 Cb -0.17 -2.17 -0.13 0.00 0.04 0.00 0.00 34.50 32.08 2bur s PRO 318 CO 0.54 -1.01 1.35 0.00 0.04 0.00 0.00 177.00 177.92 2bur h ALA 319 N -0.47 0.32 -2.72 8.56 0.00 -1.96 -3.41 119.26 119.58 2bur h ALA 319 Ca -0.45 -0.43 -0.62 0.00 0.00 0.00 0.00 54.91 53.41 2bur h ALA 319 Cb 1.28 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 2bur h ALA 319 CO 0.61 0.38 -0.21 -0.47 0.00 0.00 0.00 179.25 179.56 2bur s TYR 320 N -4.12 3.26 -0.38 0.00 5.04 -1.26 -4.75 117.35 115.13 2bur s TYR 320 Ca -0.13 0.45 0.03 0.00 -2.44 0.00 0.00 57.07 54.98 2bur s TYR 320 Cb 0.07 -2.58 0.16 0.00 0.35 0.00 0.00 41.96 39.95 2bur s TYR 320 CO 0.82 -0.22 0.34 0.00 -1.34 0.00 0.00 175.55 175.15 2bur s ALA 321 N 2.05 0.17 0.58 3.97 0.00 -1.26 -5.03 121.76 122.23 2bur s ALA 321 Ca 0.16 -1.46 0.32 0.00 0.00 0.00 0.00 51.96 50.99 2bur s ALA 321 Cb -0.16 -1.89 1.38 0.00 0.00 0.00 0.00 23.12 22.46 2bur s ALA 321 CO 0.10 -2.12 1.70 -1.00 0.00 0.00 0.00 175.76 174.44 2bur h PRO 322 N 6.68 0.00 0.00 0.00 0.13 -1.94 0.42 132.00 137.29 2bur h PRO 322 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2bur h PRO 322 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2bur h PRO 322 CO 0.23 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 178.78 2bur h GLY 323 N 0.00 0.00 -7.57 1.56 0.00 -1.96 -3.29 103.07 91.81 2bur h GLY 323 Ca 0.44 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 47.04 2bur h GLY 323 CO -0.00 0.00 -0.22 -0.47 0.00 0.00 0.00 176.54 175.85 2bur s TYR 324 N -3.66 3.53 0.29 5.60 5.04 0.14 -4.89 117.35 123.39 2bur s TYR 324 Ca 0.01 -2.27 0.03 0.00 -2.44 0.00 0.00 57.07 52.41 2bur s TYR 324 Cb 0.09 -3.48 0.65 0.00 0.35 0.00 0.00 41.96 39.56 2bur s TYR 324 CO 0.55 -0.93 1.78 0.87 -1.34 0.00 0.00 175.55 176.48 2bur h LYS 325 N 7.63 0.73 0.00 4.97 1.57 -1.77 -0.80 116.57 128.90 2bur h LYS 325 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2bur h LYS 325 Cb 1.01 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2bur h LYS 325 CO 0.76 0.49 0.00 0.25 -0.57 0.00 0.00 179.45 180.38 2bur n THR 326 N -4.78 1.01 0.33 -0.16 -2.24 -1.26 -1.76 114.28 105.42 2bur n THR 326 Ca 0.21 0.25 0.14 0.00 -2.27 0.00 0.00 64.05 62.38 2bur n THR 326 Cb 0.50 -1.01 0.45 0.00 -2.10 0.00 0.00 70.33 68.17 2bur n THR 326 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2bur h SER 327 N 0.00 0.00 -0.96 3.42 4.64 -1.43 -3.23 113.55 116.00 2bur h SER 327 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2bur h SER 327 Cb 0.24 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.29 2bur h SER 327 CO 0.00 0.00 0.62 0.58 -0.87 0.00 0.00 176.83 177.16 2bur h VAL 328 N 0.00 1.25 -0.01 0.95 2.07 -1.49 -2.83 116.25 116.19 2bur h VAL 328 Ca 0.00 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2bur h VAL 328 Cb 0.67 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2bur h VAL 328 CO 0.00 0.24 -0.48 0.18 0.02 0.00 0.00 177.57 177.53 2bur n LEU 329 N -4.38 1.85 -1.04 2.57 4.77 -1.24 -4.37 117.00 115.16 2bur n LEU 329 Ca 0.11 -0.68 -0.03 0.00 -0.03 0.00 0.00 56.01 55.38 2bur n LEU 329 Cb 0.02 -0.02 0.19 0.00 -2.33 0.00 0.00 43.42 41.29 2bur n LEU 329 CO 0.37 0.35 0.56 0.54 -1.33 0.00 0.00 177.39 177.88 2bur n ARG 330 N -0.18 1.86 -4.77 3.23 1.74 -1.08 -4.98 116.66 112.49 2bur n ARG 330 Ca 0.09 -3.30 -0.25 0.00 -0.77 0.00 0.00 57.85 53.62 2bur n ARG 330 Cb 0.45 -1.78 -0.16 0.00 -1.02 0.00 0.00 32.46 29.95 2bur n ARG 330 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2bur s SER 331 N -2.84 1.99 0.52 0.55 1.04 -1.14 -4.96 113.70 108.85 2bur s SER 331 Ca 0.43 -0.32 -0.21 0.00 0.48 0.00 0.00 55.95 56.33 2bur s SER 331 Cb 0.40 -0.49 -0.06 0.00 0.10 0.00 0.00 66.02 65.97 2bur s SER 331 CO -0.03 0.15 1.20 -2.16 0.98 0.00 0.00 173.24 173.38 2bur s PRO 332 N -0.02 3.42 0.11 4.02 0.04 -1.26 -4.94 135.00 136.38 2bur s PRO 332 Ca -0.02 1.82 0.16 0.00 0.04 0.00 0.00 61.00 63.01 2bur s PRO 332 Cb -0.10 -2.21 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 2bur s PRO 332 CO 0.01 -0.84 0.98 1.57 0.04 0.00 0.00 177.00 178.76 2bur h LYS 333 N 1.55 0.00 -7.00 4.56 5.09 -2.00 -3.46 116.57 115.31 2bur h LYS 333 Ca -0.50 0.00 -0.46 0.00 0.09 0.00 0.00 60.65 59.78 2bur h LYS 333 Cb 1.27 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.59 2bur h LYS 333 CO 0.58 0.35 0.28 -0.80 -2.09 0.00 0.00 179.45 177.78 2bur s ASN 334 N -5.95 6.82 0.72 7.07 0.01 -1.26 -5.04 114.94 117.31 2bur s ASN 334 Ca -0.01 1.55 -0.14 0.00 -0.71 0.00 0.00 52.86 53.55 2bur s ASN 334 Cb 0.08 -2.49 0.04 0.00 0.41 0.00 0.00 41.25 39.29 2bur s ASN 334 CO 0.80 -0.37 1.15 0.00 -1.51 0.00 0.00 177.10 177.17 2bur s ALA 335 N -2.23 2.21 0.49 0.60 0.00 -1.26 -4.98 121.76 116.58 2bur s ALA 335 Ca 0.59 0.66 -0.22 0.00 0.00 0.00 0.00 51.96 53.00 2bur s ALA 335 Cb -0.09 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.57 2bur s ALA 335 CO 0.18 -1.71 1.18 -0.51 0.00 0.00 0.00 175.76 174.90 2bur s LEU 336 N -5.25 3.93 -0.28 0.00 1.43 -1.26 -5.00 118.68 112.26 2bur s LEU 336 Ca 0.69 2.33 -0.15 0.00 -1.03 0.00 0.00 54.13 55.98 2bur s LEU 336 Cb -0.24 -4.32 -0.03 0.00 0.03 0.00 0.00 46.19 41.62 2bur s LEU 336 CO 0.46 -1.07 0.36 -0.63 0.23 0.00 0.00 176.35 175.70 2bur s ILE 337 N -1.56 5.18 0.16 -0.59 1.01 -1.26 -5.06 121.20 119.09 2bur s ILE 337 Ca 0.67 0.45 -0.27 0.00 0.00 0.00 0.00 60.65 61.49 2bur s ILE 337 Cb -0.29 -3.71 -0.08 0.00 0.01 0.00 0.00 42.46 38.40 2bur s ILE 337 CO 0.35 0.12 0.84 -0.44 0.00 0.00 0.00 174.94 175.80 2bur s SER 338 N 1.67 7.45 0.25 3.58 0.01 -1.26 -5.06 113.70 120.33 2bur s SER 338 Ca 0.14 1.71 0.10 0.00 1.31 0.00 0.00 55.95 59.21 2bur s SER 338 Cb -0.16 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.49 2bur s SER 338 CO 0.10 0.14 -0.18 0.27 0.41 0.00 0.00 173.24 173.99 2bur s ILE 339 N -0.89 2.16 0.15 1.44 -4.36 -1.26 -5.12 121.20 113.31 2bur s ILE 339 Ca 0.39 -2.33 -0.28 0.00 -0.26 0.00 0.00 60.65 58.17 2bur s ILE 339 Cb -0.24 -2.19 -0.07 0.00 1.25 0.00 0.00 42.46 41.21 2bur s ILE 339 CO 0.28 -0.48 0.86 0.00 0.24 0.00 0.00 174.94 175.83 2bur s ALA 340 N -2.71 3.36 0.49 2.27 0.00 -1.26 -5.02 121.76 118.90 2bur s ALA 340 Ca 0.27 0.46 -0.20 0.00 0.00 0.00 0.00 51.96 52.49 2bur s ALA 340 Cb -0.03 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.91 2bur s ALA 340 CO 0.11 0.16 1.06 -1.21 0.00 0.00 0.00 175.76 175.88 2bur s GLU 341 N -0.69 3.73 0.14 0.00 2.02 -1.26 -5.06 118.70 117.59 2bur s GLU 341 Ca 0.40 1.43 0.01 0.00 0.02 0.00 0.00 54.97 56.83 2bur s GLU 341 Cb -0.23 -2.11 -0.00 0.00 0.10 0.00 0.00 34.13 31.88 2bur s GLU 341 CO 0.28 -0.50 0.03 0.25 0.02 0.00 0.00 175.26 175.34 2bur n THR 342 N -0.97 0.00 0.30 3.63 -2.24 -1.26 -4.89 114.28 108.85 2bur n THR 342 Ca 0.09 -0.76 0.17 0.00 -2.27 0.00 0.00 64.05 61.28 2bur n THR 342 Cb 0.52 0.23 0.96 0.00 -2.10 0.00 0.00 70.33 69.93 2bur n THR 342 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2bur h LEU 343 N 0.00 0.00 -0.98 3.22 3.38 -1.97 -1.72 115.31 117.23 2bur h LEU 343 Ca -0.11 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2bur h LEU 343 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2bur h LEU 343 CO 0.18 0.00 -0.22 0.28 0.09 0.00 0.00 178.44 178.77 2bur h SER 344 N 0.00 0.48 0.97 -0.43 0.02 -1.95 -2.89 113.55 109.74 2bur h SER 344 Ca 0.01 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.75 2bur h SER 344 Cb 0.06 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2bur h SER 344 CO -0.00 0.70 -1.07 -0.33 -1.14 0.00 0.00 176.83 174.99 2bur h GLU 345 N 0.43 0.00 -0.02 3.45 3.07 -1.71 -3.36 114.58 116.45 2bur h GLU 345 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2bur h GLU 345 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 2bur h GLU 345 CO 0.04 0.11 -0.16 1.33 -1.40 0.00 0.00 179.01 178.93 2bur n VAL 346 N -2.78 0.00 -3.82 3.13 0.24 -1.07 -1.42 118.33 112.61 2bur n VAL 346 Ca -0.03 -0.30 -0.22 0.00 -2.04 0.00 0.00 64.34 61.76 2bur n VAL 346 Cb 0.65 0.94 -0.04 0.00 -1.47 0.00 0.00 33.84 33.92 2bur n VAL 346 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2bur s THR 347 N -2.22 3.10 0.13 3.34 -4.23 -1.10 -4.28 115.64 110.39 2bur s THR 347 Ca 0.28 -1.45 -0.25 0.00 -1.18 0.00 0.00 61.69 59.09 2bur s THR 347 Cb 0.20 -3.08 0.07 0.00 1.34 0.00 0.00 72.50 71.03 2bur s THR 347 CO 0.42 -0.11 0.76 0.00 -0.54 0.00 0.00 174.62 175.15 2bur s ALA 348 N -2.40 -1.60 0.82 3.99 0.00 -1.18 -0.52 121.76 120.87 2bur s ALA 348 Ca 0.42 0.43 -0.11 0.00 0.00 0.00 0.00 51.96 52.70 2bur s ALA 348 Cb -0.04 0.71 0.08 0.00 0.00 0.00 0.00 23.12 23.87 2bur s ALA 348 CO 0.26 -0.84 1.09 -1.25 0.00 0.00 0.00 175.76 175.02 2bur s PRO 349 N -3.53 1.89 -0.09 0.00 0.04 -1.26 -4.95 135.00 127.10 2bur s PRO 349 Ca 0.06 0.74 0.03 0.00 0.04 0.00 0.00 61.00 61.87 2bur s PRO 349 Cb -0.02 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 2bur s PRO 349 CO -0.06 -1.78 -0.20 -1.01 0.04 0.00 0.00 177.00 173.99 2bur s HIS 350 N -3.07 2.61 -0.18 0.56 3.76 -1.26 -4.90 115.29 112.82 2bur s HIS 350 Ca 0.61 -0.76 -0.03 0.00 -0.15 0.00 0.00 55.06 54.74 2bur s HIS 350 Cb -0.16 -1.71 -0.02 0.00 1.11 0.00 0.00 32.58 31.81 2bur s HIS 350 CO 0.55 -0.25 -0.07 -0.06 -0.85 0.00 0.00 174.74 174.07 2bur s PHE 351 N 0.10 2.93 0.14 1.40 0.40 -1.26 -5.11 117.98 116.59 2bur s PHE 351 Ca -0.10 -0.68 -0.24 0.00 -0.60 0.00 0.00 56.93 55.32 2bur s PHE 351 Cb -0.16 -1.99 -0.08 0.00 0.51 0.00 0.00 43.02 41.31 2bur s PHE 351 CO 0.06 -0.31 0.74 -1.54 0.70 0.00 0.00 175.22 174.87 2bur s SER 352 N 0.84 7.32 0.53 1.36 1.04 -1.26 -4.94 113.70 118.60 2bur s SER 352 Ca -0.02 1.57 0.20 0.00 0.48 0.00 0.00 55.95 58.18 2bur s SER 352 Cb -0.15 -2.47 1.41 0.00 0.10 0.00 0.00 66.02 64.91 2bur s SER 352 CO 0.01 0.21 2.15 0.00 0.98 0.00 0.00 173.24 176.60 2bur h ALA 353 N 4.42 1.77 -0.80 5.32 0.00 -1.99 -2.86 119.26 125.12 2bur h ALA 353 Ca -0.47 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 54.64 2bur h ALA 353 Cb 1.21 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2bur h ALA 353 CO 0.66 0.04 0.61 -0.44 0.00 0.00 0.00 179.25 180.11 2bur h ASP 354 N 0.00 0.00 1.31 0.00 3.32 -2.04 -1.19 116.42 117.82 2bur h ASP 354 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2bur h ASP 354 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2bur h ASP 354 CO 0.00 0.00 -0.29 0.11 -1.72 0.00 0.00 179.24 177.34 2bur h LYS 355 N 0.00 0.00 -6.49 3.56 1.57 -1.92 -3.46 116.57 109.83 2bur h LYS 355 Ca 0.38 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.63 2bur h LYS 355 Cb 1.59 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.88 2bur h LYS 355 CO -0.00 0.00 0.39 -0.06 -0.57 0.00 0.00 179.45 179.20 2bur s PHE 356 N -3.16 3.69 0.74 -1.35 0.08 -0.45 -5.06 117.98 112.48 2bur s PHE 356 Ca 0.08 1.70 -0.11 0.00 0.12 0.00 0.00 56.93 58.71 2bur s PHE 356 Cb 0.11 -3.13 0.04 0.00 -0.57 0.00 0.00 43.02 39.47 2bur s PHE 356 CO 0.67 -0.07 1.10 0.20 -0.10 0.00 0.00 175.22 177.01 2bur s GLY 357 N 0.57 1.63 0.56 4.36 0.00 -1.26 -4.97 107.32 108.21 2bur s GLY 357 Ca 0.50 -0.29 0.31 0.00 0.00 0.00 0.00 44.72 45.25 2bur s GLY 357 CO 0.29 0.10 2.15 -0.56 0.00 0.00 0.00 173.10 175.08 2bur h PRO 358 N -0.82 0.00 -0.34 2.90 0.13 -1.99 -2.70 132.00 129.18 2bur h PRO 358 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2bur h PRO 358 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2bur h PRO 358 CO 0.62 0.07 0.00 1.63 -0.23 0.00 0.00 178.00 180.09 2bur n LYS 359 N -3.53 3.14 0.26 0.86 5.02 -1.26 -4.67 118.16 117.98 2bur n LYS 359 Ca -0.02 -2.67 0.12 0.00 -2.02 0.00 0.00 58.31 53.71 2bur n LYS 359 Cb 0.19 -1.74 0.72 0.00 -0.02 0.00 0.00 35.03 34.18 2bur n LYS 359 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2bur h ASP 360 N 2.23 0.00 -0.53 4.39 3.45 -1.77 -1.16 116.42 123.02 2bur h ASP 360 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2bur h ASP 360 Cb 1.31 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.08 2bur h ASP 360 CO 0.19 0.10 0.00 -0.46 -1.57 0.00 0.00 179.24 177.50 2bur n ASN 361 N -3.85 4.73 -3.93 6.45 6.94 -1.22 -1.47 115.26 122.91 2bur n ASN 361 Ca -0.02 -2.65 -0.30 0.00 -0.02 0.00 0.00 54.58 51.59 2bur n ASN 361 Cb 0.20 -0.57 -0.14 0.00 -2.36 0.00 0.00 39.78 36.91 2bur n ASN 361 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2bur s ASP 362 N -1.08 4.27 0.30 0.53 3.68 -0.44 -1.91 116.67 122.03 2bur s ASP 362 Ca 0.48 -2.97 0.26 0.00 2.13 0.00 0.00 52.55 52.45 2bur s ASP 362 Cb 0.34 -1.60 1.00 0.00 -1.45 0.00 0.00 42.92 41.22 2bur s ASP 362 CO 0.19 -0.24 1.76 -0.07 0.13 0.00 0.00 175.17 176.94 2bur h LEU 363 N 6.54 0.00 -0.18 -1.34 4.07 -0.95 0.80 115.31 124.24 2bur h LEU 363 Ca -0.07 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.74 2bur h LEU 363 Cb 0.90 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.64 2bur h LEU 363 CO 0.67 0.00 -0.47 0.40 -1.08 0.00 0.00 178.44 177.96 2bur h ILE 364 N 0.00 1.32 0.00 1.22 2.04 -1.87 -3.39 117.51 116.83 2bur h ILE 364 Ca 0.00 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.15 2bur h ILE 364 Cb 0.46 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 2bur h ILE 364 CO 0.00 0.53 -1.20 0.18 0.00 0.00 0.00 178.15 177.66 2bur n LEU 365 N -4.19 0.40 0.02 1.44 4.77 -1.11 -4.42 117.00 113.92 2bur n LEU 365 Ca -0.06 -0.27 0.07 0.00 -0.03 0.00 0.00 56.01 55.72 2bur n LEU 365 Cb 0.58 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.98 2bur n LEU 365 CO 0.47 0.10 0.73 -0.46 -1.33 0.00 0.00 177.39 176.90 2bur n ASN 366 N -1.69 0.10 0.00 -1.43 0.23 0.26 -2.36 115.26 110.37 2bur n ASN 366 Ca 0.00 0.53 0.00 0.00 -0.53 0.00 0.00 54.58 54.58 2bur n ASN 366 Cb 0.33 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 37.48 2bur n ASN 366 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2bur n TYR 367 N -1.62 0.00 -2.26 -2.53 9.36 -1.26 -5.01 117.16 113.84 2bur n TYR 367 Ca 0.03 -0.23 -0.42 0.00 3.32 0.00 0.00 57.90 60.60 2bur n TYR 367 Cb 0.16 -0.02 -0.03 0.00 -0.63 0.00 0.00 39.34 38.82 2bur n TYR 367 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2bur s ALA 368 N -0.47 3.52 -0.01 2.98 0.00 -1.00 -4.39 121.76 122.39 2bur s ALA 368 Ca 0.00 1.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.93 2bur s ALA 368 Cb 0.00 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 2bur s ALA 368 CO 0.00 -0.54 -0.12 1.63 0.00 0.00 0.00 175.76 176.73 2bur n LYS 369 N 3.78 0.18 -0.01 0.00 4.76 -1.26 -4.88 118.16 120.73 2bur n LYS 369 Ca 0.10 0.07 0.08 0.00 -2.87 0.00 0.00 58.31 55.69 2bur n LYS 369 Cb 0.44 -0.76 -0.12 0.00 -1.84 0.00 0.00 35.03 32.74 2bur n LYS 369 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2bur n ASP 370 N -3.65 1.00 -0.75 4.39 8.00 -1.26 -5.07 116.55 119.21 2bur n ASP 370 Ca -0.05 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.18 2bur n ASP 370 Cb 0.18 1.54 0.00 0.00 -0.02 0.00 0.00 41.12 42.82 2bur n ASP 370 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bur n GLY 371 N 1.49 1.28 3.88 0.44 0.00 -1.26 -5.16 105.19 105.86 2bur n GLY 371 Ca -0.01 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 2bur n GLY 371 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bur s LEU 372 N 0.00 3.99 0.69 0.99 1.43 -1.26 -4.74 118.68 119.77 2bur s LEU 372 Ca 0.00 1.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.98 2bur s LEU 372 Cb 0.00 -3.84 0.01 0.00 0.03 0.00 0.00 46.19 42.39 2bur s LEU 372 CO 0.00 -0.25 1.10 -2.16 0.23 0.00 0.00 176.35 175.27 2bur s PRO 373 N -3.43 2.68 0.04 1.29 0.04 -1.26 -4.86 135.00 129.50 2bur s PRO 373 Ca 0.49 1.31 -0.17 0.00 0.04 0.00 0.00 61.00 62.68 2bur s PRO 373 Cb -0.11 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 2bur s PRO 373 CO 0.27 -1.34 0.49 0.42 0.04 0.00 0.00 177.00 176.88 2bur s ILE 374 N -2.51 4.89 -4.33 0.56 -1.09 -1.26 -4.98 121.20 112.47 2bur s ILE 374 Ca 0.65 1.02 0.00 0.00 -2.23 0.00 0.00 60.65 60.09 2bur s ILE 374 Cb -0.19 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 2bur s ILE 374 CO 0.46 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 175.34 2bur n GLY 375 N 1.75 1.00 3.62 6.18 0.00 -1.26 -4.45 105.19 112.02 2bur n GLY 375 Ca -0.12 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 2bur n GLY 375 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bur s GLU 376 N -1.07 3.93 -0.04 1.61 2.02 -1.26 -4.91 118.70 118.99 2bur s GLU 376 Ca 0.00 0.80 -0.30 0.00 0.02 0.00 0.00 54.97 55.49 2bur s GLU 376 Cb 0.00 -3.78 -0.05 0.00 0.10 0.00 0.00 34.13 30.39 2bur s GLU 376 CO 0.00 -0.98 1.54 1.03 0.02 0.00 0.00 175.26 176.88 2bur s ARG 377 N 3.67 4.22 -0.01 1.61 0.52 -1.26 -0.75 118.95 126.94 2bur s ARG 377 Ca 0.43 2.09 -0.05 0.00 -0.52 0.00 0.00 55.73 57.67 2bur s ARG 377 Cb -0.11 -3.80 0.00 0.00 0.52 0.00 0.00 34.95 31.56 2bur s ARG 377 CO 0.19 -0.74 0.12 0.14 0.02 0.00 0.00 175.30 175.02 2bur s VAL 378 N 3.36 0.06 -0.11 3.52 -7.23 -0.30 -1.72 120.40 117.98 2bur s VAL 378 Ca 0.69 -0.48 -0.04 0.00 -1.81 0.00 0.00 61.98 60.34 2bur s VAL 378 Cb -0.32 -0.33 -0.03 0.00 0.56 0.00 0.00 36.38 36.25 2bur s VAL 378 CO 0.27 -0.27 0.03 -0.63 -0.31 0.00 0.00 175.10 174.20 2bur s ILE 379 N -0.90 4.57 -0.06 -0.62 1.01 -0.03 -0.99 121.20 124.18 2bur s ILE 379 Ca -0.10 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.46 2bur s ILE 379 Cb -0.06 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 2bur s ILE 379 CO 0.01 0.58 -0.22 -0.69 0.00 0.00 0.00 174.94 174.62 2bur s VAL 380 N -0.68 1.83 0.19 2.92 1.01 -0.41 -0.78 120.40 124.49 2bur s VAL 380 Ca 0.11 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 2bur s VAL 380 Cb -0.12 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2bur s VAL 380 CO 0.02 0.51 0.36 -1.38 0.00 0.00 0.00 175.10 174.61 2bur s HIS 381 N 0.00 0.38 -2.99 5.22 -3.43 -0.58 -1.50 115.29 112.39 2bur s HIS 381 Ca -0.06 -0.73 0.00 0.00 -0.80 0.00 0.00 55.06 53.46 2bur s HIS 381 Cb -0.14 0.03 0.00 0.00 -1.43 0.00 0.00 32.58 31.04 2bur s HIS 381 CO 0.04 -0.81 0.00 0.41 -2.00 0.00 0.00 174.74 172.38 2bur n GLY 382 N -0.28 -1.04 3.22 -1.38 0.00 -0.85 -0.86 105.19 104.00 2bur n GLY 382 Ca -0.05 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 2bur n GLY 382 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bur s TYR 383 N -3.00 1.65 -0.19 1.61 1.51 -1.25 -0.93 117.35 116.75 2bur s TYR 383 Ca 0.00 -0.37 -0.05 0.00 -1.01 0.00 0.00 57.07 55.65 2bur s TYR 383 Cb 0.00 -0.98 -0.03 0.00 -0.11 0.00 0.00 41.96 40.84 2bur s TYR 383 CO 0.00 0.08 -0.01 0.08 -1.11 0.00 0.00 175.55 174.59 2bur s VAL 384 N -0.82 3.93 0.22 0.71 1.01 0.67 -1.19 120.40 124.94 2bur s VAL 384 Ca 0.06 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.74 2bur s VAL 384 Cb -0.09 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2bur s VAL 384 CO 0.02 0.45 -0.01 -0.13 0.00 0.00 0.00 175.10 175.43 2bur s ARG 385 N 0.79 1.30 0.62 2.72 0.52 -0.20 -1.65 118.95 123.04 2bur s ARG 385 Ca -0.00 -1.65 0.04 0.00 -0.52 0.00 0.00 55.73 53.59 2bur s ARG 385 Cb -0.14 -0.58 0.09 0.00 0.52 0.00 0.00 34.95 34.83 2bur s ARG 385 CO 0.02 -0.09 0.85 0.16 0.02 0.00 0.00 175.30 176.26 2bur s ASP 386 N -3.29 4.87 0.39 0.23 3.84 0.94 -0.60 116.67 123.05 2bur s ASP 386 Ca 0.27 -0.47 0.28 0.00 -0.00 0.00 0.00 52.55 52.64 2bur s ASP 386 Cb 0.05 -0.12 1.35 0.00 -1.38 0.00 0.00 42.92 42.82 2bur s ASP 386 CO 0.08 -1.47 1.84 0.06 -0.00 0.00 0.00 175.17 175.68 2bur h GLN 387 N -0.09 0.00 -0.64 2.11 3.07 -0.92 0.54 115.11 119.18 2bur h GLN 387 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.38 2bur h GLN 387 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 2bur h GLN 387 CO 0.43 0.00 0.00 1.19 0.09 0.00 0.00 178.83 180.54 2bur n PHE 388 N -2.51 1.11 -0.66 0.06 3.01 -1.26 -4.93 117.46 112.27 2bur n PHE 388 Ca -0.00 -0.48 0.00 0.00 1.01 0.00 0.00 57.45 57.98 2bur n PHE 388 Cb 0.14 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 2bur n PHE 388 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2bur n GLY 389 N 1.28 0.78 3.77 1.37 0.00 0.18 -5.05 105.19 107.51 2bur n GLY 389 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 2bur n GLY 389 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bur s ARG 390 N -0.34 4.68 0.56 1.61 0.52 -1.26 -4.72 118.95 120.00 2bur s ARG 390 Ca 0.00 1.42 -0.19 0.00 -0.52 0.00 0.00 55.73 56.44 2bur s ARG 390 Cb 0.00 -2.99 -0.05 0.00 0.52 0.00 0.00 34.95 32.43 2bur s ARG 390 CO 0.00 0.35 1.18 -1.25 0.02 0.00 0.00 175.30 175.60 2bur s PRO 391 N -1.71 3.19 -0.37 3.54 0.04 -1.26 -0.04 135.00 138.40 2bur s PRO 391 Ca 0.47 1.75 -0.08 0.00 0.04 0.00 0.00 61.00 63.18 2bur s PRO 391 Cb -0.22 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.35 2bur s PRO 391 CO 0.28 -1.01 0.17 0.08 0.04 0.00 0.00 177.00 176.56 2bur s VAL 392 N -1.65 4.14 -0.07 -0.36 1.01 -0.66 -4.76 120.40 118.06 2bur s VAL 392 Ca 0.74 -1.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 2bur s VAL 392 Cb -0.28 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 2bur s VAL 392 CO 0.31 -0.26 0.35 -0.54 0.00 0.00 0.00 175.10 174.95 2bur s LYS 393 N 1.46 3.97 -1.49 2.72 1.02 -1.26 -3.94 119.74 122.22 2bur s LYS 393 Ca 0.01 0.25 -0.07 0.00 0.02 0.00 0.00 55.97 56.18 2bur s LYS 393 Cb -0.20 -3.29 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 2bur s LYS 393 CO 0.04 0.54 0.78 0.09 -0.92 0.00 0.00 175.35 175.88 2bur n ASN 394 N 2.47 -6.01 -4.83 2.83 3.02 -0.79 -4.92 115.26 107.02 2bur n ASN 394 Ca -0.14 -0.39 -0.34 0.00 -0.03 0.00 0.00 54.58 53.68 2bur n ASN 394 Cb 0.53 -4.82 -0.06 0.00 -0.61 0.00 0.00 39.78 34.82 2bur n ASN 394 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bur s ALA 395 N -3.21 3.37 -0.26 5.41 0.00 -1.26 -4.72 121.76 121.09 2bur s ALA 395 Ca 0.41 0.10 -0.20 0.00 0.00 0.00 0.00 51.96 52.26 2bur s ALA 395 Cb -0.18 -2.79 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 2bur s ALA 395 CO 0.50 0.33 0.62 -1.17 0.00 0.00 0.00 175.76 176.05 2bur s LEU 396 N -2.48 4.07 -0.21 0.00 2.96 0.03 -1.33 118.68 121.73 2bur s LEU 396 Ca 0.48 0.65 -0.03 0.00 -0.22 0.00 0.00 54.13 55.02 2bur s LEU 396 Cb -0.13 -2.84 -0.00 0.00 0.50 0.00 0.00 46.19 43.71 2bur s LEU 396 CO 0.19 -0.39 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.07 2bur s VAL 397 N 2.52 3.16 -0.04 1.68 1.01 0.04 -1.44 120.40 127.34 2bur s VAL 397 Ca 0.26 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.73 2bur s VAL 397 Cb -0.15 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 2bur s VAL 397 CO 0.09 0.45 -0.21 -1.61 0.00 0.00 0.00 175.10 173.82 2bur s GLU 398 N 1.38 2.31 0.10 2.72 2.02 -0.51 -1.23 118.70 125.50 2bur s GLU 398 Ca 0.05 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.25 2bur s GLU 398 Cb -0.14 -2.20 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 2bur s GLU 398 CO -0.04 0.57 -0.11 0.14 0.02 0.00 0.00 175.26 175.85 2bur s VAL 399 N -0.63 1.01 0.06 2.63 -7.23 -0.44 -0.96 120.40 114.84 2bur s VAL 399 Ca 0.10 -1.69 -0.19 0.00 -1.81 0.00 0.00 61.98 58.39 2bur s VAL 399 Cb -0.10 -1.43 0.04 0.00 0.56 0.00 0.00 36.38 35.45 2bur s VAL 399 CO -0.00 -0.55 0.45 -1.66 -0.31 0.00 0.00 175.10 173.02 2bur s TRP 400 N -2.48 -0.32 0.12 2.82 -2.14 -0.73 -2.03 118.94 114.19 2bur s TRP 400 Ca 0.07 0.27 -0.25 0.00 2.66 0.00 0.00 56.10 58.84 2bur s TRP 400 Cb -0.03 0.27 0.08 0.00 -3.10 0.00 0.00 33.47 30.70 2bur s TRP 400 CO 0.00 -0.62 1.07 1.14 -2.66 0.00 0.00 176.95 175.88 2bur s GLN 401 N -2.67 1.04 0.82 3.25 -2.07 -0.39 -1.41 119.66 118.23 2bur s GLN 401 Ca -0.04 -0.62 -0.11 0.00 -1.82 0.00 0.00 55.36 52.78 2bur s GLN 401 Cb -0.00 0.33 0.12 0.00 -1.09 0.00 0.00 33.01 32.36 2bur s GLN 401 CO -0.04 -0.48 1.16 0.00 -1.32 0.00 0.00 175.29 174.62 2bur s ALA 402 N -2.68 2.76 0.56 2.60 0.00 -1.26 -4.63 121.76 119.11 2bur s ALA 402 Ca 0.17 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2bur s ALA 402 Cb -0.01 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.40 2bur s ALA 402 CO 0.02 -1.79 0.00 0.27 0.00 0.00 0.00 175.76 174.26 2bur n ASN 403 N -3.31 0.00 0.32 0.00 2.04 0.26 -4.53 115.26 110.05 2bur n ASN 403 Ca 0.11 -0.73 0.21 0.00 -0.44 0.00 0.00 54.58 53.72 2bur n ASN 403 Cb 0.60 0.00 1.07 0.00 -2.53 0.00 0.00 39.78 38.92 2bur n ASN 403 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2bur h ALA 404 N -1.08 1.02 -0.00 -2.53 0.00 -1.78 -0.83 119.26 114.05 2bur h ALA 404 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bur h ALA 404 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2bur h ALA 404 CO 0.00 0.00 -0.31 0.43 0.00 0.00 0.00 179.25 179.37 2bur n SER 405 N -3.12 0.80 0.00 0.00 7.64 -1.26 -3.52 113.62 114.16 2bur n SER 405 Ca -0.02 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.22 2bur n SER 405 Cb 0.14 0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2bur n SER 405 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bur n GLY 406 N 1.39 0.62 3.63 0.23 0.00 -0.60 -4.70 105.19 105.76 2bur n GLY 406 Ca 0.10 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 2bur n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bur s ARG 407 N -0.86 3.98 0.09 1.61 6.06 -1.26 -4.76 118.95 123.81 2bur s ARG 407 Ca 0.00 -0.33 -0.14 0.00 -2.50 0.00 0.00 55.73 52.75 2bur s ARG 407 Cb 0.00 -3.27 -0.06 0.00 0.06 0.00 0.00 34.95 31.67 2bur s ARG 407 CO 0.00 0.22 0.50 0.71 -2.50 0.00 0.00 175.30 174.23 2bur s TYR 408 N 0.52 3.66 -1.16 5.12 2.02 -1.26 -0.58 117.35 125.67 2bur s TYR 408 Ca 0.04 1.04 -0.16 0.00 -0.37 0.00 0.00 57.07 57.62 2bur s TYR 408 Cb -0.13 -2.34 0.15 0.00 -0.40 0.00 0.00 41.96 39.24 2bur s TYR 408 CO 0.01 0.52 1.42 0.50 -1.57 0.00 0.00 175.55 176.43 2bur s ARG 409 N -1.63 3.97 -0.11 -0.62 3.52 -1.26 -4.80 118.95 118.03 2bur s ARG 409 Ca 0.33 -2.31 -0.12 0.00 -0.13 0.00 0.00 55.73 53.50 2bur s ARG 409 Cb -0.16 -5.11 0.03 0.00 -1.56 0.00 0.00 34.95 28.15 2bur s ARG 409 CO 0.18 -1.85 0.32 -1.58 -0.81 0.00 0.00 175.30 171.56 2bur s HIS 410 N 2.26 -0.33 0.38 5.12 2.46 -1.26 -5.05 115.29 118.87 2bur s HIS 410 Ca 0.43 0.79 0.09 0.00 0.47 0.00 0.00 55.06 56.83 2bur s HIS 410 Cb -0.02 0.12 0.84 0.00 -0.13 0.00 0.00 32.58 33.39 2bur s HIS 410 CO -0.01 -0.20 1.95 -1.35 -2.47 0.00 0.00 174.74 172.66 2bur h PRO 411 N 5.38 0.62 -0.02 2.88 0.11 -2.07 -2.49 132.00 136.40 2bur h PRO 411 Ca -0.27 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2bur h PRO 411 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2bur h PRO 411 CO 0.31 0.41 0.00 0.09 -0.21 0.00 0.00 178.00 178.60 2bur n ASN 412 N -4.49 0.25 -4.45 -2.05 3.02 -1.26 -4.75 115.26 101.53 2bur n ASN 412 Ca 0.11 -1.45 -0.41 0.00 -0.03 0.00 0.00 54.58 52.81 2bur n ASN 412 Cb 0.31 -0.02 -0.11 0.00 -0.61 0.00 0.00 39.78 39.35 2bur n ASN 412 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2bur s ASP 413 N -1.60 5.90 -0.17 6.41 3.68 -0.94 -4.95 116.67 125.01 2bur s ASP 413 Ca 0.29 -0.73 0.17 0.00 2.13 0.00 0.00 52.55 54.41 2bur s ASP 413 Cb 0.14 -2.09 0.50 0.00 -1.45 0.00 0.00 42.92 40.02 2bur s ASP 413 CO 0.23 -0.33 1.39 0.00 0.13 0.00 0.00 175.17 176.59 2bur n GLN 414 N 5.07 2.75 -1.87 4.34 1.13 -1.26 -4.87 117.38 122.68 2bur n GLN 414 Ca -0.12 -2.80 -0.38 0.00 -1.94 0.00 0.00 57.00 51.75 2bur n GLN 414 Cb 0.48 -1.80 0.03 0.00 0.11 0.00 0.00 30.24 29.06 2bur n GLN 414 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2bur s TYR 415 N -2.80 2.42 -0.43 1.08 5.04 -1.26 -4.89 117.35 116.51 2bur s TYR 415 Ca 0.41 1.38 0.23 0.00 -2.44 0.00 0.00 57.07 56.65 2bur s TYR 415 Cb 0.33 -3.75 1.01 0.00 0.35 0.00 0.00 41.96 39.90 2bur s TYR 415 CO 0.08 -2.67 1.70 1.51 -1.34 0.00 0.00 175.55 174.84 2bur n ILE 416 N -0.77 0.87 -1.66 3.14 3.06 -1.26 -4.77 119.36 117.97 2bur n ILE 416 Ca 0.09 0.31 -0.44 0.00 -2.50 0.00 0.00 62.75 60.21 2bur n ILE 416 Cb 0.45 -1.26 -0.02 0.00 0.54 0.00 0.00 39.64 39.35 2bur n ILE 416 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2bur n GLY 417 N -0.22 0.46 3.77 4.50 0.00 -1.26 -4.86 105.19 107.57 2bur n GLY 417 Ca 0.01 0.41 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 2bur n GLY 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bur s ALA 418 N -0.59 3.37 0.54 4.61 0.00 -1.26 -4.75 121.76 123.69 2bur s ALA 418 Ca 0.63 1.10 -0.18 0.00 0.00 0.00 0.00 51.96 53.51 2bur s ALA 418 Cb -0.65 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 18.99 2bur s ALA 418 CO 0.56 -0.51 1.06 1.41 0.00 0.00 0.00 175.76 178.28 2bur s MET 419 N -1.87 3.51 -0.25 0.00 1.75 -1.26 -4.58 119.30 116.60 2bur s MET 419 Ca 0.50 1.36 0.00 0.00 -1.25 0.00 0.00 55.69 56.30 2bur s MET 419 Cb -0.36 -2.05 0.04 0.00 2.84 0.00 0.00 34.83 35.30 2bur s MET 419 CO 0.46 -0.68 -0.09 0.34 -0.65 0.00 0.00 175.02 174.41 2bur s ASP 420 N -2.24 4.25 0.41 1.11 -1.08 -1.26 -4.99 116.67 112.86 2bur s ASP 420 Ca 0.67 -1.06 0.27 0.00 -0.52 0.00 0.00 52.55 51.92 2bur s ASP 420 Cb -0.18 -1.61 1.48 0.00 -1.46 0.00 0.00 42.92 41.16 2bur s ASP 420 CO 0.28 -0.15 1.84 1.55 0.52 0.00 0.00 175.17 179.21 2bur h PRO 421 N 7.93 0.00 -0.50 4.34 0.13 -1.97 -2.44 132.00 139.48 2bur h PRO 421 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2bur h PRO 421 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2bur h PRO 421 CO 0.54 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.40 2bur n ASN 422 N -2.46 3.80 -4.07 1.44 5.03 -1.26 -4.67 115.26 113.07 2bur n ASN 422 Ca -0.02 -2.27 -0.25 0.00 0.87 0.00 0.00 54.58 52.91 2bur n ASN 422 Cb 0.05 -0.43 -0.16 0.00 -1.02 0.00 0.00 39.78 38.22 2bur n ASN 422 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 2bur s PHE 423 N -1.50 1.55 -0.24 3.10 2.19 -0.92 -3.44 117.98 118.72 2bur s PHE 423 Ca 0.39 -0.52 -0.12 0.00 0.33 0.00 0.00 56.93 57.01 2bur s PHE 423 Cb 0.24 -1.09 -0.10 0.00 -1.31 0.00 0.00 43.02 40.75 2bur s PHE 423 CO 0.21 -0.23 -0.31 0.41 1.83 0.00 0.00 175.22 177.13 2bur n GLY 424 N 3.52 -0.39 0.20 13.12 0.00 -1.26 -4.78 105.19 115.60 2bur n GLY 424 Ca -0.21 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2bur n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bur n GLY 425 N 1.49 0.94 3.03 -0.02 0.00 -1.26 -4.58 105.19 104.79 2bur n GLY 425 Ca -0.47 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 2bur n GLY 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bur s GLY 427 N -1.72 0.31 0.21 0.00 0.00 -0.86 -4.80 107.32 100.46 2bur s GLY 427 Ca -0.10 -0.66 -0.22 0.00 0.00 0.00 0.00 44.72 43.74 2bur s GLY 427 CO -0.01 -0.36 0.67 1.09 0.00 0.00 0.00 173.10 174.48 2bur s ARG 428 N -3.56 1.50 -0.04 2.90 1.70 -0.54 -1.33 118.95 119.58 2bur s ARG 428 Ca 0.17 -0.70 -0.30 0.00 -0.47 0.00 0.00 55.73 54.42 2bur s ARG 428 Cb -0.04 0.59 0.11 0.00 -0.57 0.00 0.00 34.95 35.04 2bur s ARG 428 CO 0.10 -0.67 1.07 0.00 -1.08 0.00 0.00 175.30 174.72 2bur s MET 429 N -3.80 0.64 -0.06 3.89 0.23 -0.36 -3.38 119.30 116.47 2bur s MET 429 Ca 0.06 -0.29 0.00 0.00 -1.03 0.00 0.00 55.69 54.43 2bur s MET 429 Cb -0.03 0.26 -0.03 0.00 -1.53 0.00 0.00 34.83 33.50 2bur s MET 429 CO -0.04 -0.29 -0.03 -0.51 -2.03 0.00 0.00 175.02 172.13 2bur s LEU 430 N -2.55 3.40 0.66 0.18 1.43 -1.26 -0.78 118.68 119.76 2bur s LEU 430 Ca 0.09 0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 53.09 2bur s LEU 430 Cb -0.00 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.40 2bur s LEU 430 CO -0.05 0.35 1.09 0.42 0.23 0.00 0.00 176.35 178.39 2bur s THR 431 N -0.91 3.44 0.00 5.49 -4.23 -0.44 -4.88 115.64 114.11 2bur s THR 431 Ca 0.15 0.62 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 2bur s THR 431 Cb -0.11 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.57 2bur s THR 431 CO 0.04 -0.46 0.00 -0.90 -0.54 0.00 0.00 174.62 172.76 2bur n ASP 432 N -2.55 0.00 0.12 3.99 5.68 -0.77 -1.89 116.55 121.14 2bur n ASP 432 Ca 0.10 -0.75 0.11 0.00 -0.50 0.00 0.00 54.79 53.75 2bur n ASP 432 Cb 0.52 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 40.99 2bur n ASP 432 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2bur n ASP 433 N -2.26 0.62 -1.12 -1.12 8.00 -1.26 -1.20 116.55 118.19 2bur n ASP 433 Ca 0.00 0.66 0.12 0.00 0.71 0.00 0.00 54.79 56.28 2bur n ASP 433 Cb 0.00 -0.79 0.23 0.00 -0.02 0.00 0.00 41.12 40.54 2bur n ASP 433 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2bur n ASN 434 N -2.19 3.36 -0.00 -2.24 3.02 -1.26 -4.79 115.26 111.16 2bur n ASN 434 Ca 0.02 -1.98 -0.00 0.00 -0.03 0.00 0.00 54.58 52.59 2bur n ASN 434 Cb 0.21 -0.25 -0.00 0.00 -0.61 0.00 0.00 39.78 39.14 2bur n ASN 434 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bur n GLY 435 N 1.49 0.48 3.76 7.41 0.00 -0.34 -4.73 105.19 113.27 2bur n GLY 435 Ca 0.19 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2bur n GLY 435 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bur s TYR 436 N -1.99 3.88 0.09 1.61 5.04 -1.26 -0.23 117.35 124.49 2bur s TYR 436 Ca 0.00 1.83 0.02 0.00 -2.44 0.00 0.00 57.07 56.48 2bur s TYR 436 Cb 0.00 -2.93 -0.04 0.00 0.35 0.00 0.00 41.96 39.34 2bur s TYR 436 CO 0.00 0.38 -0.08 1.52 -1.34 0.00 0.00 175.55 176.04 2bur s TYR 437 N -1.33 0.91 -0.19 4.97 -0.85 -0.11 -1.85 117.35 118.91 2bur s TYR 437 Ca 0.43 -0.80 -0.13 0.00 -0.52 0.00 0.00 57.07 56.05 2bur s TYR 437 Cb -0.23 -0.52 0.06 0.00 0.38 0.00 0.00 41.96 41.65 2bur s TYR 437 CO 0.28 -0.10 0.49 0.54 -1.52 0.00 0.00 175.55 175.24 2bur s VAL 438 N -3.09 -0.01 0.17 -3.49 0.11 -1.26 -2.00 120.40 110.83 2bur s VAL 438 Ca 0.08 0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 59.13 2bur s VAL 438 Cb 0.02 -0.70 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 2bur s VAL 438 CO -0.03 0.02 0.18 0.72 -3.33 0.00 0.00 175.10 172.66 2bur s PHE 439 N 1.03 0.75 0.04 1.54 -0.71 -0.56 -4.95 117.98 115.13 2bur s PHE 439 Ca -0.06 -1.09 0.06 0.00 -1.04 0.00 0.00 56.93 54.80 2bur s PHE 439 Cb -0.06 -0.32 -0.02 0.00 -1.21 0.00 0.00 43.02 41.41 2bur s PHE 439 CO -0.09 -0.65 -0.16 0.50 -1.34 0.00 0.00 175.22 173.48 2bur s ARG 440 N -4.05 1.05 0.11 1.99 3.52 -0.80 -1.29 118.95 119.48 2bur s ARG 440 Ca 0.25 -0.82 -0.04 0.00 -0.13 0.00 0.00 55.73 54.99 2bur s ARG 440 Cb 0.05 -1.10 0.02 0.00 -1.56 0.00 0.00 34.95 32.36 2bur s ARG 440 CO 0.04 0.27 0.22 -2.37 -0.81 0.00 0.00 175.30 172.66 2bur n THR 441 N 1.84 0.00 -4.08 4.11 5.66 -0.16 -0.37 114.28 121.28 2bur n THR 441 Ca -0.18 -0.29 -0.35 0.00 -3.05 0.00 0.00 64.05 60.18 2bur n THR 441 Cb 0.54 0.28 -0.09 0.00 -1.55 0.00 0.00 70.33 69.51 2bur n THR 441 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2bur s ILE 442 N -2.74 4.76 0.19 1.09 -1.09 -1.26 -1.15 121.20 121.00 2bur s ILE 442 Ca 0.05 -0.05 -0.32 0.00 -2.23 0.00 0.00 60.65 58.10 2bur s ILE 442 Cb -0.01 -3.11 -0.11 0.00 -1.58 0.00 0.00 42.46 37.65 2bur s ILE 442 CO 0.03 0.51 1.64 -0.75 -1.23 0.00 0.00 174.94 175.15 2bur s LYS 443 N -0.08 4.17 0.51 2.79 2.20 0.07 -4.87 119.74 124.54 2bur s LYS 443 Ca 0.06 2.48 -0.18 0.00 -0.36 0.00 0.00 55.97 57.98 2bur s LYS 443 Cb -0.12 -3.11 -0.07 0.00 -1.51 0.00 0.00 37.83 33.01 2bur s LYS 443 CO 0.01 -0.67 1.01 -1.25 -0.36 0.00 0.00 175.35 174.09 2bur s PRO 444 N 1.11 3.81 0.40 4.03 0.04 -1.26 -4.25 135.00 138.87 2bur s PRO 444 Ca 0.72 1.13 -0.06 0.00 0.04 0.00 0.00 61.00 62.83 2bur s PRO 444 Cb -0.47 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.92 2bur s PRO 444 CO 0.32 -0.40 0.70 0.20 0.04 0.00 0.00 177.00 177.87 2bur s GLY 445 N -2.61 1.72 1.20 0.56 0.00 -0.42 -4.65 107.32 103.13 2bur s GLY 445 Ca 0.62 -0.45 -0.16 0.00 0.00 0.00 0.00 44.72 44.74 2bur s GLY 445 CO 0.27 -0.30 1.03 -4.14 0.00 0.00 0.00 173.10 169.96 2bur s PRO 446 N -4.11 -1.21 0.12 2.90 0.02 -1.26 -3.99 135.00 127.46 2bur s PRO 446 Ca 0.47 0.47 -0.25 0.00 0.02 0.00 0.00 61.00 61.71 2bur s PRO 446 Cb -0.10 -1.55 0.07 0.00 0.02 0.00 0.00 34.50 32.94 2bur s PRO 446 CO 0.36 -3.82 0.64 1.52 -0.33 0.00 0.00 177.00 175.36 2bur s TYR 447 N -2.60 -0.54 0.18 6.54 -0.85 -0.93 -4.27 117.35 114.87 2bur s TYR 447 Ca 0.68 0.44 -0.06 0.00 -0.52 0.00 0.00 57.07 57.61 2bur s TYR 447 Cb -0.19 0.54 -0.06 0.00 0.38 0.00 0.00 41.96 42.63 2bur s TYR 447 CO 0.61 -0.79 0.43 -1.25 -1.52 0.00 0.00 175.55 173.03 2bur s PRO 448 N -3.31 3.66 0.17 -3.49 0.04 -1.26 -0.28 135.00 130.52 2bur s PRO 448 Ca -0.00 -0.01 -0.14 0.00 0.04 0.00 0.00 61.00 60.88 2bur s PRO 448 Cb -0.01 -2.78 0.02 0.00 0.04 0.00 0.00 34.50 31.77 2bur s PRO 448 CO -0.09 0.41 0.42 1.67 0.04 0.00 0.00 177.00 179.44 2bur s TRP 449 N -1.74 0.02 -0.65 0.56 1.48 -0.47 -4.92 118.94 113.21 2bur s TRP 449 Ca 0.43 -0.36 -0.17 0.00 -1.06 0.00 0.00 56.10 54.93 2bur s TRP 449 Cb -0.12 0.22 0.13 0.00 -1.16 0.00 0.00 33.47 32.55 2bur s TRP 449 CO 0.24 -0.80 0.70 0.50 -4.06 0.00 0.00 176.95 173.53 2bur s ARG 450 N -3.88 3.17 0.00 3.25 3.52 -1.26 -3.55 118.95 120.19 2bur s ARG 450 Ca 0.10 -1.65 0.00 0.00 -0.13 0.00 0.00 55.73 54.05 2bur s ARG 450 Cb 0.01 -4.36 0.00 0.00 -1.56 0.00 0.00 34.95 29.04 2bur s ARG 450 CO -0.04 -1.47 0.00 -1.71 -0.81 0.00 0.00 175.30 171.27 2bur n ASN 451 N 5.67 0.00 -4.92 -2.12 5.15 -1.26 -4.98 115.26 112.79 2bur n ASN 451 Ca -0.04 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.68 2bur n ASN 451 Cb 0.43 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.72 2bur n ASN 451 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2bur s ARG 452 N 0.00 2.79 0.38 1.20 0.52 -1.26 -4.98 118.95 117.60 2bur s ARG 452 Ca 0.00 -0.13 0.10 0.00 -0.52 0.00 0.00 55.73 55.18 2bur s ARG 452 Cb 0.00 -2.29 0.75 0.00 0.52 0.00 0.00 34.95 33.93 2bur s ARG 452 CO 0.00 -0.76 1.88 0.97 0.02 0.00 0.00 175.30 177.41 2bur h ILE 453 N -0.19 1.20 -1.38 1.52 6.09 -1.94 -3.02 117.51 119.80 2bur h ILE 453 Ca -0.45 -0.93 -0.65 0.00 -1.37 0.00 0.00 64.86 61.47 2bur h ILE 453 Cb 1.27 1.34 -0.36 0.00 0.47 0.00 0.00 36.82 39.54 2bur h ILE 453 CO 0.60 0.28 0.03 -3.20 -3.07 0.00 0.00 178.15 172.79 2bur n ASN 454 N -4.22 6.08 -4.81 2.19 2.85 -1.26 -4.76 115.26 111.33 2bur n ASN 454 Ca -0.01 -3.77 -0.37 0.00 -0.11 0.00 0.00 54.58 50.32 2bur n ASN 454 Cb 0.31 -0.69 -0.06 0.00 1.24 0.00 0.00 39.78 40.58 2bur n ASN 454 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2bur s GLU 455 N -3.75 4.28 -0.04 1.20 2.56 -1.14 -5.00 118.70 116.80 2bur s GLU 455 Ca 0.53 0.86 -0.00 0.00 0.00 0.00 0.00 54.97 56.36 2bur s GLU 455 Cb 0.43 -3.02 0.03 0.00 2.00 0.00 0.00 34.13 33.57 2bur s GLU 455 CO -0.17 0.48 0.01 -1.58 -0.56 0.00 0.00 175.26 173.45 2bur s TRP 456 N -1.38 0.31 0.33 5.30 0.52 -1.26 -1.37 118.94 121.39 2bur s TRP 456 Ca 0.39 0.03 -0.26 0.00 0.02 0.00 0.00 56.10 56.28 2bur s TRP 456 Cb -0.18 -0.49 -0.10 0.00 -1.15 0.00 0.00 33.47 31.56 2bur s TRP 456 CO 0.21 -0.18 0.98 1.03 0.02 0.00 0.00 176.95 179.01 2bur s ARG 457 N 1.44 4.51 0.91 4.98 1.81 0.61 -4.75 118.95 128.46 2bur s ARG 457 Ca -0.04 1.40 -0.12 0.00 -1.72 0.00 0.00 55.73 55.25 2bur s ARG 457 Cb -0.13 -2.79 0.14 0.00 -0.45 0.00 0.00 34.95 31.72 2bur s ARG 457 CO -0.03 0.20 1.10 -2.14 -0.68 0.00 0.00 175.30 173.75 2bur s PRO 458 N -2.08 1.16 0.29 3.54 0.02 -1.26 -2.20 135.00 134.48 2bur s PRO 458 Ca 0.51 0.64 -0.30 0.00 0.02 0.00 0.00 61.00 61.87 2bur s PRO 458 Cb -0.20 -1.81 -0.12 0.00 0.02 0.00 0.00 34.50 32.38 2bur s PRO 458 CO 0.26 -2.26 1.55 0.00 -0.33 0.00 0.00 177.00 176.22 2bur n ALA 459 N -3.87 2.23 -3.17 -1.55 0.00 -1.26 -4.68 120.51 108.21 2bur n ALA 459 Ca 0.06 0.38 -0.12 0.00 0.00 0.00 0.00 53.44 53.76 2bur n ALA 459 Cb 0.56 -2.42 -0.05 0.00 0.00 0.00 0.00 19.45 17.55 2bur n ALA 459 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2bur s HIS 460 N -0.11 -0.32 -0.12 0.00 -3.43 -1.26 -4.16 115.29 105.89 2bur s HIS 460 Ca 0.64 0.18 0.03 0.00 -0.80 0.00 0.00 55.06 55.11 2bur s HIS 460 Cb -0.53 0.31 0.00 0.00 -1.43 0.00 0.00 32.58 30.94 2bur s HIS 460 CO 0.50 -0.68 -0.22 0.42 -2.00 0.00 0.00 174.74 172.76 2bur s ILE 461 N -3.14 2.20 0.23 -5.38 1.01 -0.72 -4.62 121.20 110.78 2bur s ILE 461 Ca -0.01 -0.96 -0.25 0.00 0.00 0.00 0.00 60.65 59.43 2bur s ILE 461 Cb 0.00 -1.86 -0.09 0.00 0.01 0.00 0.00 42.46 40.52 2bur s ILE 461 CO -0.07 0.55 0.83 -1.00 0.00 0.00 0.00 174.94 175.25 2bur s HIS 462 N 0.49 3.80 0.05 3.97 3.76 -0.50 -1.32 115.29 125.54 2bur s HIS 462 Ca -0.14 1.66 -0.04 0.00 -0.15 0.00 0.00 55.06 56.38 2bur s HIS 462 Cb -0.17 -2.81 -0.02 0.00 1.11 0.00 0.00 32.58 30.69 2bur s HIS 462 CO 0.05 0.38 0.07 -0.59 -0.85 0.00 0.00 174.74 173.80 2bur s PHE 463 N -1.37 0.30 0.00 1.40 -0.12 -0.47 -1.77 117.98 115.96 2bur s PHE 463 Ca 0.42 -0.71 0.01 0.00 -0.05 0.00 0.00 56.93 56.59 2bur s PHE 463 Cb -0.21 -0.21 -0.01 0.00 -0.63 0.00 0.00 43.02 41.96 2bur s PHE 463 CO 0.25 -0.40 -0.02 0.45 -0.05 0.00 0.00 175.22 175.45 2bur s SER 464 N -2.51 0.24 -0.06 1.98 0.15 -0.13 -1.08 113.70 112.29 2bur s SER 464 Ca 0.01 -0.13 0.02 0.00 0.70 0.00 0.00 55.95 56.54 2bur s SER 464 Cb 0.03 0.00 0.01 0.00 -1.71 0.00 0.00 66.02 64.35 2bur s SER 464 CO -0.08 -0.04 -0.11 -0.76 1.20 0.00 0.00 173.24 173.45 2bur s LEU 465 N -0.35 1.60 -0.18 3.45 1.02 -0.21 -1.42 118.68 122.60 2bur s LEU 465 Ca -0.03 -0.28 0.00 0.00 0.02 0.00 0.00 54.13 53.85 2bur s LEU 465 Cb -0.03 -0.78 0.01 0.00 0.02 0.00 0.00 46.19 45.41 2bur s LEU 465 CO -0.00 0.02 -0.18 -0.63 0.02 0.00 0.00 176.35 175.58 2bur s ILE 466 N 0.72 2.30 0.00 -0.59 1.01 -0.52 -3.02 121.20 121.09 2bur s ILE 466 Ca -0.14 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.64 2bur s ILE 466 Cb -0.16 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.34 2bur s ILE 466 CO 0.03 0.52 0.00 0.00 0.00 0.00 0.00 174.94 175.49 2bur n ALA 467 N 4.50 0.00 0.03 9.38 0.00 -1.26 -0.79 120.51 132.37 2bur n ALA 467 Ca -0.20 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.16 2bur n ALA 467 Cb 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.83 2bur n ALA 467 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2bur h ASP 468 N 0.00 0.01 -4.42 0.00 5.19 -1.91 -3.43 116.42 111.86 2bur h ASP 468 Ca 0.00 -0.01 -0.38 0.00 -0.62 0.00 0.00 57.03 56.02 2bur h ASP 468 Cb 0.00 -0.00 -0.24 0.00 0.18 0.00 0.00 39.33 39.27 2bur h ASP 468 CO 0.00 1.01 -0.77 -0.83 -3.12 0.00 0.00 179.24 175.53 2bur s GLY 469 N -4.86 0.67 0.45 2.75 0.00 -1.26 -3.12 107.32 101.95 2bur s GLY 469 Ca -0.01 -0.77 0.12 0.00 0.00 0.00 0.00 44.72 44.06 2bur s GLY 469 CO 0.82 -0.78 2.04 -0.25 0.00 0.00 0.00 173.10 174.93 2bur h TRP 470 N 4.83 0.16 0.00 1.90 -0.00 -0.25 -0.06 115.95 122.53 2bur h TRP 470 Ca -0.37 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.89 58.51 2bur h TRP 470 Cb 1.19 -0.05 -0.00 0.00 -0.00 0.00 0.00 29.16 30.30 2bur h TRP 470 CO 0.56 0.19 -0.01 0.00 -0.00 0.00 0.00 178.44 179.19 2bur h ALA 471 N 1.82 1.14 0.00 2.65 0.00 -1.52 -1.77 119.26 121.58 2bur h ALA 471 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2bur h ALA 471 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2bur h ALA 471 CO 0.01 0.01 -0.17 1.04 0.00 0.00 0.00 179.25 180.14 2bur n GLN 472 N -3.30 0.02 -1.66 0.00 6.02 -0.03 -4.92 117.38 113.51 2bur n GLN 472 Ca -0.03 0.01 -0.55 0.00 -0.01 0.00 0.00 57.00 56.43 2bur n GLN 472 Cb 0.11 -1.52 -0.07 0.00 1.02 0.00 0.00 30.24 29.78 2bur n GLN 472 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2bur n ARG 473 N -1.56 1.15 -3.77 -1.09 3.00 -0.67 -4.80 116.66 108.92 2bur n ARG 473 Ca 0.06 0.42 -0.13 0.00 -0.00 0.00 0.00 57.85 58.20 2bur n ARG 473 Cb 0.35 -2.08 -0.11 0.00 0.00 0.00 0.00 32.46 30.61 2bur n ARG 473 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2bur s LEU 474 N 2.19 0.88 -0.03 6.15 2.96 -1.17 -5.04 118.68 124.63 2bur s LEU 474 Ca 0.92 0.57 0.04 0.00 -0.22 0.00 0.00 54.13 55.44 2bur s LEU 474 Cb -1.02 1.01 -0.00 0.00 0.50 0.00 0.00 46.19 46.68 2bur s LEU 474 CO 0.57 -0.11 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.72 2bur s ILE 475 N 0.10 1.19 0.00 6.68 1.01 -1.26 -1.04 121.20 127.88 2bur s ILE 475 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.04 2bur s ILE 475 Cb -0.02 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.43 2bur s ILE 475 CO 0.01 0.35 0.00 -0.24 0.00 0.00 0.00 174.94 175.05 2bur n SER 476 N 3.03 0.00 -3.81 3.58 2.88 -0.24 -5.01 113.62 114.05 2bur n SER 476 Ca -0.17 -0.21 -0.12 0.00 -1.33 0.00 0.00 58.87 57.04 2bur n SER 476 Cb 0.54 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.90 2bur n SER 476 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2bur s GLN 477 N 0.37 0.51 0.19 -1.46 -0.21 -1.26 -1.37 119.66 116.44 2bur s GLN 477 Ca 0.00 -0.18 0.11 0.00 0.02 0.00 0.00 55.36 55.31 2bur s GLN 477 Cb 0.00 0.22 -0.04 0.00 1.00 0.00 0.00 33.01 34.19 2bur s GLN 477 CO 0.00 -0.12 -0.23 -0.59 -2.12 0.00 0.00 175.29 172.23 2bur s PHE 478 N -1.07 2.19 0.50 0.91 -0.12 -0.44 -4.87 117.98 115.09 2bur s PHE 478 Ca -0.11 -0.38 0.02 0.00 -0.05 0.00 0.00 56.93 56.41 2bur s PHE 478 Cb -0.06 -1.08 -0.02 0.00 -0.63 0.00 0.00 43.02 41.24 2bur s PHE 478 CO 0.02 0.48 0.04 0.71 -0.05 0.00 0.00 175.22 176.42 2bur s TYR 479 N -1.80 1.94 -0.10 3.49 1.51 0.50 -1.75 117.35 121.14 2bur s TYR 479 Ca 0.20 -0.91 0.02 0.00 -1.01 0.00 0.00 57.07 55.37 2bur s TYR 479 Cb -0.07 -1.66 -0.02 0.00 -0.11 0.00 0.00 41.96 40.10 2bur s TYR 479 CO 0.09 0.20 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.52 2bur s PHE 480 N -2.84 2.74 0.11 2.71 0.40 -1.26 -0.01 117.98 119.82 2bur s PHE 480 Ca 0.12 -0.56 -0.35 0.00 -0.60 0.00 0.00 56.93 55.53 2bur s PHE 480 Cb 0.02 -1.76 -0.17 0.00 0.51 0.00 0.00 43.02 41.62 2bur s PHE 480 CO 0.06 -0.13 1.13 -1.91 0.70 0.00 0.00 175.22 175.08 2bur n GLU 481 N 3.18 0.77 -0.00 0.44 2.13 -0.45 -1.60 120.64 125.11 2bur n GLU 481 Ca -0.18 0.27 0.00 0.00 0.66 0.00 0.00 57.16 57.92 2bur n GLU 481 Cb 0.53 -1.77 0.00 0.00 0.27 0.00 0.00 31.44 30.46 2bur n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bur n GLY 482 N 2.03 2.26 3.67 8.31 0.00 -1.26 -4.95 105.19 115.25 2bur n GLY 482 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2bur n GLY 482 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bur s ASP 483 N -3.51 6.53 0.52 1.61 3.68 -0.63 -4.86 116.67 120.01 2bur s ASP 483 Ca 0.00 2.53 0.34 0.00 2.13 0.00 0.00 52.55 57.55 2bur s ASP 483 Cb 0.00 -2.54 1.55 0.00 -1.45 0.00 0.00 42.92 40.48 2bur s ASP 483 CO 0.00 -0.99 2.01 0.71 0.13 0.00 0.00 175.17 177.03 2bur h THR 484 N 5.43 0.00 0.00 1.71 1.35 -1.95 -2.85 112.91 116.60 2bur h THR 484 Ca -0.45 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 2bur h THR 484 Cb 1.21 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 2bur h THR 484 CO 0.94 0.00 0.00 -0.07 -0.25 0.00 0.00 175.52 176.14 2bur h LEU 485 N 0.00 0.00 -1.16 3.87 3.38 -1.95 -3.11 115.31 116.33 2bur h LEU 485 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2bur h LEU 485 Cb 0.34 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 2bur h LEU 485 CO 0.00 0.00 0.59 0.40 0.09 0.00 0.00 178.44 179.52 2bur h ILE 486 N 0.00 1.00 0.00 1.22 2.04 -1.89 -1.95 117.51 117.93 2bur h ILE 486 Ca 0.00 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2bur h ILE 486 Cb 0.56 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2bur h ILE 486 CO 0.00 0.17 0.00 0.47 0.00 0.00 0.00 178.15 178.79 2bur n ASP 487 N -4.52 0.18 -0.06 1.72 8.00 -1.18 -3.39 116.55 117.30 2bur n ASP 487 Ca 0.15 0.53 0.03 0.00 0.71 0.00 0.00 54.79 56.21 2bur n ASP 487 Cb 0.27 -0.57 -0.02 0.00 -0.02 0.00 0.00 41.12 40.78 2bur n ASP 487 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2bur n SER 488 N -1.68 0.58 -4.66 -2.24 7.64 -0.77 -5.03 113.62 107.46 2bur n SER 488 Ca 0.04 -0.79 -0.42 0.00 1.01 0.00 0.00 58.87 58.71 2bur n SER 488 Cb 0.24 0.77 -0.03 0.00 -1.01 0.00 0.00 64.21 64.19 2bur n SER 488 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bur h PRO 490 N 9.44 0.00 -0.30 0.00 0.11 -1.92 -0.98 132.00 138.34 2bur h PRO 490 Ca -0.36 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.58 2bur h PRO 490 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2bur h PRO 490 CO 0.96 0.11 -0.48 0.82 -0.21 0.00 0.00 178.00 179.21 2bur h ILE 491 N 0.00 1.28 -0.08 4.15 2.04 -1.91 -2.70 117.51 120.29 2bur h ILE 491 Ca -0.00 -1.66 -0.14 0.00 1.00 0.00 0.00 64.86 64.05 2bur h ILE 491 Cb 0.50 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 2bur h ILE 491 CO 0.01 0.54 -0.58 0.25 0.00 0.00 0.00 178.15 178.37 2bur h LEU 492 N 0.63 0.29 -0.01 1.44 5.85 -1.85 -2.61 115.31 119.06 2bur h LEU 492 Ca 0.02 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2bur h LEU 492 Cb 1.08 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2bur h LEU 492 CO 0.11 0.81 0.00 0.29 -0.34 0.00 0.00 178.44 179.31 2bur n LYS 493 N -3.89 0.00 0.29 1.25 5.02 -0.40 -1.91 118.16 118.52 2bur n LYS 493 Ca -0.02 0.19 0.17 0.00 -2.02 0.00 0.00 58.31 56.63 2bur n LYS 493 Cb 0.60 -1.51 0.87 0.00 -0.02 0.00 0.00 35.03 34.98 2bur n LYS 493 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2bur h THR 494 N 0.00 0.26 -3.14 -0.18 1.35 -1.12 -3.41 112.91 106.67 2bur h THR 494 Ca 0.00 -0.36 -0.56 0.00 -0.55 0.00 0.00 66.41 64.95 2bur h THR 494 Cb 0.31 1.28 -0.03 0.00 -1.73 0.00 0.00 68.15 67.98 2bur h THR 494 CO 0.00 0.05 0.67 -0.63 -0.25 0.00 0.00 175.52 175.36 2bur s ILE 495 N -4.06 4.47 0.28 6.82 1.01 -0.80 -4.22 121.20 124.70 2bur s ILE 495 Ca -0.03 1.77 -0.03 0.00 0.00 0.00 0.00 60.65 62.37 2bur s ILE 495 Cb 0.12 -4.14 0.24 0.00 0.01 0.00 0.00 42.46 38.69 2bur s ILE 495 CO 0.52 -0.02 1.93 -0.65 0.00 0.00 0.00 174.94 176.72 2bur h PRO 496 N 7.37 1.10 -6.25 2.79 0.11 -1.81 -3.45 132.00 131.87 2bur h PRO 496 Ca -0.32 -0.10 -0.66 0.00 0.11 0.00 0.00 66.00 65.04 2bur h PRO 496 Cb 1.15 -0.23 -0.14 0.00 0.11 0.00 0.00 31.00 31.89 2bur h PRO 496 CO 0.88 0.77 -0.66 -1.54 -0.21 0.00 0.00 178.00 177.24 2bur s SER 497 N -6.31 4.99 0.30 -2.05 1.04 -1.26 -4.99 113.70 105.42 2bur s SER 497 Ca -0.12 -0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.21 2bur s SER 497 Cb 0.17 -1.24 0.46 0.00 0.10 0.00 0.00 66.02 65.51 2bur s SER 497 CO 0.80 0.24 1.92 -0.08 0.98 0.00 0.00 173.24 177.11 2bur h GLU 498 N 4.06 0.96 -0.30 4.02 4.57 -2.00 -1.19 114.58 124.70 2bur h GLU 498 Ca -0.48 -0.10 -0.10 0.00 -1.18 0.00 0.00 59.36 57.50 2bur h GLU 498 Cb 1.17 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.55 2bur h GLU 498 CO 0.57 0.71 -0.22 -0.56 -1.18 0.00 0.00 179.01 178.33 2bur h GLN 499 N 0.97 0.58 -0.12 1.92 3.07 -1.99 -1.98 115.11 117.56 2bur h GLN 499 Ca 0.25 -0.21 -0.14 0.00 0.09 0.00 0.00 58.65 58.63 2bur h GLN 499 Cb 0.02 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.54 2bur h GLN 499 CO -0.04 0.76 -0.55 1.96 0.09 0.00 0.00 178.83 181.05 2bur h GLN 500 N 0.51 0.36 -0.59 0.06 1.08 -1.83 -2.36 115.11 112.33 2bur h GLN 500 Ca 0.08 -0.22 -0.04 0.00 -1.45 0.00 0.00 58.65 57.01 2bur h GLN 500 Cb 0.66 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.09 2bur h GLN 500 CO 0.05 0.81 0.20 0.00 -0.95 0.00 0.00 178.83 178.94 2bur h ARG 501 N 0.28 0.89 0.00 1.46 3.08 -0.73 -2.45 114.38 116.90 2bur h ARG 501 Ca 0.00 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 2bur h ARG 501 Cb 1.05 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 2bur h ARG 501 CO 0.09 0.76 -0.17 0.00 -1.07 0.00 0.00 179.97 179.58 2bur h ARG 502 N 0.86 0.00 0.00 0.04 3.08 -1.18 -2.33 114.38 114.85 2bur h ARG 502 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2bur h ARG 502 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2bur h ARG 502 CO -0.01 0.17 0.00 0.00 -1.07 0.00 0.00 179.97 179.05 2bur n ALA 503 N -2.23 1.59 -0.23 0.04 0.00 -0.91 -1.94 120.51 116.83 2bur n ALA 503 Ca -0.01 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.48 2bur n ALA 503 Cb 0.34 -1.18 0.25 0.00 0.00 0.00 0.00 19.45 18.86 2bur n ALA 503 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2bur n LEU 504 N -1.41 3.51 -4.55 0.00 4.77 -0.88 -4.94 117.00 113.50 2bur n LEU 504 Ca 0.04 -1.94 -0.38 0.00 -0.03 0.00 0.00 56.01 53.70 2bur n LEU 504 Cb 0.11 -0.37 -0.11 0.00 -2.33 0.00 0.00 43.42 40.72 2bur n LEU 504 CO 0.10 0.86 -0.18 -0.63 -1.33 0.00 0.00 177.39 176.21 2bur s ILE 505 N -1.04 5.13 0.24 -0.08 1.01 -0.82 -0.37 121.20 125.27 2bur s ILE 505 Ca 0.38 0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.78 2bur s ILE 505 Cb 0.20 -3.47 -0.09 0.00 0.01 0.00 0.00 42.46 39.11 2bur s ILE 505 CO 0.27 0.22 1.07 0.00 0.00 0.00 0.00 174.94 176.49 2bur s ALA 506 N 1.73 3.38 -0.11 9.38 0.00 0.99 -4.86 121.76 132.27 2bur s ALA 506 Ca 0.07 0.82 -0.08 0.00 0.00 0.00 0.00 51.96 52.77 2bur s ALA 506 Cb -0.16 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2bur s ALA 506 CO 0.10 -0.10 0.16 -0.51 0.00 0.00 0.00 175.76 175.40 2bur s LEU 507 N -1.04 4.39 0.25 0.00 1.43 -0.36 -1.34 118.68 122.01 2bur s LEU 507 Ca 0.45 0.50 -0.31 0.00 -1.03 0.00 0.00 54.13 53.74 2bur s LEU 507 Cb -0.30 -2.10 -0.12 0.00 0.03 0.00 0.00 46.19 43.70 2bur s LEU 507 CO 0.37 0.40 1.63 1.21 0.23 0.00 0.00 176.35 180.20 2bur n GLU 508 N 1.99 2.64 -3.90 1.70 2.13 -1.26 -0.35 120.64 123.59 2bur n GLU 508 Ca -0.20 0.94 -0.29 0.00 0.66 0.00 0.00 57.16 58.28 2bur n GLU 508 Cb 0.55 -2.74 -0.12 0.00 0.27 0.00 0.00 31.44 29.40 2bur n GLU 508 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2bur s ASP 509 N 0.77 4.82 0.31 4.31 2.15 -0.18 -4.80 116.67 124.04 2bur s ASP 509 Ca 0.70 -3.75 0.01 0.00 0.43 0.00 0.00 52.55 49.94 2bur s ASP 509 Cb -0.53 -1.65 0.50 0.00 -0.30 0.00 0.00 42.92 40.94 2bur s ASP 509 CO 0.42 -0.11 1.86 0.50 -0.17 0.00 0.00 175.17 177.67 2bur h LYS 510 N 5.56 0.70 0.00 4.34 3.64 -1.92 -1.71 116.57 127.18 2bur h LYS 510 Ca 0.12 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2bur h LYS 510 Cb 0.77 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2bur h LYS 510 CO 0.72 0.65 -0.03 0.77 -2.27 0.00 0.00 179.45 179.30 2bur h SER 511 N 0.68 0.00 -0.61 4.20 0.02 -1.96 -2.41 113.55 113.47 2bur h SER 511 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2bur h SER 511 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2bur h SER 511 CO 0.00 0.03 0.00 0.59 -1.14 0.00 0.00 176.83 176.31 2bur n ASN 512 N -3.16 3.35 -4.76 3.07 3.02 -0.65 -4.94 115.26 111.19 2bur n ASN 512 Ca -0.00 -2.04 -0.33 0.00 -0.03 0.00 0.00 54.58 52.17 2bur n ASN 512 Cb 0.26 -0.42 0.05 0.00 -0.61 0.00 0.00 39.78 39.06 2bur n ASN 512 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2bur s PHE 513 N -1.24 2.54 -0.28 3.10 0.40 -0.91 -4.63 117.98 116.95 2bur s PHE 513 Ca 0.41 1.56 -0.06 0.00 -0.60 0.00 0.00 56.93 58.24 2bur s PHE 513 Cb 0.22 -3.23 0.01 0.00 0.51 0.00 0.00 43.02 40.53 2bur s PHE 513 CO 0.27 -1.82 0.06 0.42 0.70 0.00 0.00 175.22 174.85 2bur s ILE 514 N -2.23 3.86 0.24 0.64 1.01 0.17 -5.00 121.20 119.89 2bur s ILE 514 Ca 0.69 -0.66 -0.30 0.00 0.00 0.00 0.00 60.65 60.37 2bur s ILE 514 Cb -0.22 -2.96 -0.14 0.00 0.01 0.00 0.00 42.46 39.15 2bur s ILE 514 CO 0.41 0.14 1.16 -1.84 0.00 0.00 0.00 174.94 174.80 2bur n GLU 515 N 4.85 1.45 -2.78 2.79 0.00 -1.26 -1.59 120.64 124.10 2bur n GLU 515 Ca -0.15 0.51 -0.18 0.00 0.00 0.00 0.00 57.16 57.34 2bur n GLU 515 Cb 0.48 -1.99 0.00 0.00 0.00 0.00 0.00 31.44 29.93 2bur n GLU 515 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2bur n ALA 516 N 1.03 -0.86 -0.42 -1.84 0.00 -1.26 -4.71 120.51 112.45 2bur n ALA 516 Ca 0.12 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2bur n ALA 516 Cb 0.29 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.34 2bur n ALA 516 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bur n ASP 517 N -2.10 0.00 -3.92 0.00 4.64 -0.62 -5.17 116.55 109.37 2bur n ASP 517 Ca -0.12 0.00 -0.10 0.00 -1.38 0.00 0.00 54.79 53.18 2bur n ASP 517 Cb 0.61 0.10 -0.10 0.00 -1.04 0.00 0.00 41.12 40.69 2bur n ASP 517 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 2bur s SER 518 N -1.15 0.13 0.85 1.67 0.01 -0.75 -4.74 113.70 109.71 2bur s SER 518 Ca 0.00 -0.35 -0.07 0.00 1.31 0.00 0.00 55.95 56.84 2bur s SER 518 Cb 0.00 0.16 0.18 0.00 0.21 0.00 0.00 66.02 66.57 2bur s SER 518 CO 0.00 -0.35 1.16 -0.13 0.41 0.00 0.00 173.24 174.33 2bur s ARG 519 N -1.49 1.04 -0.11 12.44 0.52 -0.70 -0.66 118.95 129.99 2bur s ARG 519 Ca -0.15 -0.97 -0.10 0.00 -0.52 0.00 0.00 55.73 53.99 2bur s ARG 519 Cb -0.08 -2.12 0.03 0.00 0.52 0.00 0.00 34.95 33.29 2bur s ARG 519 CO 0.00 -1.99 0.30 0.00 0.02 0.00 0.00 175.30 173.64 2bur s TYR 521 N 0.23 1.92 -0.14 0.00 1.51 0.04 -1.01 117.35 119.90 2bur s TYR 521 Ca -0.01 -0.37 -0.05 0.00 -1.01 0.00 0.00 57.07 55.64 2bur s TYR 521 Cb -0.03 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.59 2bur s TYR 521 CO -0.00 0.02 0.02 0.50 -1.11 0.00 0.00 175.55 174.98 2bur s ARG 522 N -0.76 3.57 -0.20 -0.62 6.06 0.53 -1.53 118.95 125.99 2bur s ARG 522 Ca 0.08 -0.39 -0.04 0.00 -2.50 0.00 0.00 55.73 52.88 2bur s ARG 522 Cb -0.09 -3.01 0.10 0.00 0.06 0.00 0.00 34.95 32.02 2bur s ARG 522 CO 0.00 0.43 0.33 0.12 -2.50 0.00 0.00 175.30 173.68 2bur s PHE 523 N -0.10 -0.62 0.13 5.12 5.36 -0.04 -1.22 117.98 126.60 2bur s PHE 523 Ca 0.05 0.88 0.02 0.00 -0.96 0.00 0.00 56.93 56.92 2bur s PHE 523 Cb -0.12 -0.01 -0.04 0.00 -0.34 0.00 0.00 43.02 42.51 2bur s PHE 523 CO 0.02 -0.57 0.27 -0.51 -1.46 0.00 0.00 175.22 172.97 2bur s ASP 524 N 2.49 6.35 -0.02 6.13 -0.00 -1.26 -3.96 116.67 126.39 2bur s ASP 524 Ca 0.06 0.21 0.05 0.00 -0.00 0.00 0.00 52.55 52.87 2bur s ASP 524 Cb -0.14 -1.93 -0.01 0.00 -0.00 0.00 0.00 42.92 40.84 2bur s ASP 524 CO -0.13 0.07 -0.17 -0.63 -0.00 0.00 0.00 175.17 174.32 2bur s ILE 525 N -1.70 1.35 -0.13 0.77 1.01 -0.34 -4.95 121.20 117.21 2bur s ILE 525 Ca 0.35 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.30 2bur s ILE 525 Cb -0.11 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.23 2bur s ILE 525 CO 0.28 0.38 -0.22 -0.89 0.00 0.00 0.00 174.94 174.50 2bur s THR 526 N -0.32 2.05 0.40 2.92 2.01 -1.26 -1.03 115.64 120.41 2bur s THR 526 Ca 0.05 -0.98 0.08 0.00 0.31 0.00 0.00 61.69 61.14 2bur s THR 526 Cb -0.07 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 2bur s THR 526 CO -0.00 0.55 0.37 -0.76 -0.69 0.00 0.00 174.62 174.08 2bur s LEU 527 N 0.74 3.45 0.62 4.42 1.43 0.23 -4.91 118.68 124.65 2bur s LEU 527 Ca -0.09 -0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 52.15 2bur s LEU 527 Cb -0.16 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 2bur s LEU 527 CO -0.00 -0.59 1.24 -0.13 0.23 0.00 0.00 176.35 177.10 2bur s ARG 528 N -4.11 2.79 0.18 1.70 0.52 -1.26 -0.35 118.95 118.42 2bur s ARG 528 Ca 0.47 1.93 0.11 0.00 -0.52 0.00 0.00 55.73 57.72 2bur s ARG 528 Cb -0.04 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.49 2bur s ARG 528 CO 0.28 -1.37 -0.22 0.20 0.02 0.00 0.00 175.30 174.20 2bur s GLY 529 N -1.51 1.69 0.19 -3.53 0.00 -1.26 -4.48 107.32 98.43 2bur s GLY 529 Ca 0.80 -1.58 -0.20 0.00 0.00 0.00 0.00 44.72 43.74 2bur s GLY 529 CO 0.36 -1.60 0.70 0.50 0.00 0.00 0.00 173.10 173.06 2bur s ARG 530 N -2.58 4.26 0.31 2.90 0.52 -1.26 -0.98 118.95 122.11 2bur s ARG 530 Ca 0.20 0.85 -0.06 0.00 -0.52 0.00 0.00 55.73 56.21 2bur s ARG 530 Cb -0.08 -2.97 -0.05 0.00 0.52 0.00 0.00 34.95 32.36 2bur s ARG 530 CO 0.10 0.45 0.59 1.03 0.02 0.00 0.00 175.30 177.49 2bur s ARG 531 N -1.79 3.66 0.22 3.54 0.52 -0.68 -4.92 118.95 119.49 2bur s ARG 531 Ca 0.40 0.08 -0.04 0.00 -0.52 0.00 0.00 55.73 55.65 2bur s ARG 531 Cb -0.18 -2.60 -0.05 0.00 0.52 0.00 0.00 34.95 32.64 2bur s ARG 531 CO 0.21 0.17 0.46 0.00 0.02 0.00 0.00 175.30 176.16 2bur s ALA 532 N -2.13 3.73 -0.13 2.13 0.00 -1.26 -0.54 121.76 123.56 2bur s ALA 532 Ca 0.45 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.78 2bur s ALA 532 Cb -0.11 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.81 2bur s ALA 532 CO 0.30 0.45 -0.06 0.99 0.00 0.00 0.00 175.76 177.44 2bur s THR 533 N -1.88 3.72 -0.10 0.00 2.01 0.11 -4.70 115.64 114.81 2bur s THR 533 Ca 0.42 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 62.00 2bur s THR 533 Cb -0.11 -2.59 -0.02 0.00 0.01 0.00 0.00 72.50 69.79 2bur s THR 533 CO 0.27 0.53 0.09 -1.22 -0.69 0.00 0.00 174.62 173.61 2bur n TYR 534 N 3.13 0.00 0.00 4.92 4.02 -1.26 -4.39 117.16 123.59 2bur n TYR 534 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 2bur n TYR 534 Cb 0.53 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 2bur n TYR 534 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2bur n PHE 535 N -1.07 0.00 -1.90 -0.72 3.01 -1.26 -5.07 117.46 110.44 2bur n PHE 535 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 2bur n PHE 535 Cb 0.04 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.50 2bur n PHE 535 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2bur s GLU 536 N 3.86 4.19 -0.52 -1.08 8.01 -1.26 -4.97 118.70 126.93 2bur s GLU 536 Ca 0.00 2.45 -0.04 0.00 0.01 0.00 0.00 54.97 57.40 2bur s GLU 536 Cb 0.00 -3.02 0.14 0.00 -4.31 0.00 0.00 34.13 26.94 2bur s GLU 536 CO 0.00 -0.44 0.34 1.21 0.01 0.00 0.00 175.26 176.37 2bur s ASN 537 N -0.09 5.32 0.00 -0.19 2.47 -1.26 -4.93 114.94 116.26 2bur s ASN 537 Ca 0.54 -2.41 0.27 0.00 0.42 0.00 0.00 52.86 51.68 2bur s ASN 537 Cb -0.44 -1.86 0.96 0.00 -1.45 0.00 0.00 41.25 38.46 2bur s ASN 537 CO 0.56 -0.48 1.70 0.47 -3.72 0.00 0.00 177.10 175.63 2bur n ASP 538 N 4.11 1.64 -0.34 -4.21 8.00 -1.26 -4.38 116.55 120.11 2bur n ASP 538 Ca 0.02 -1.55 0.17 0.00 0.71 0.00 0.00 54.79 54.14 2bur n ASP 538 Cb 0.40 -0.00 0.39 0.00 -0.02 0.00 0.00 41.12 41.89 2bur n ASP 538 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2bur h LEU 539 N 2.56 0.66 -0.32 0.64 5.85 -1.91 -3.52 115.31 119.27 2bur h LEU 539 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2bur h LEU 539 Cb 0.54 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2bur h LEU 539 CO 0.00 0.18 0.00 0.35 -0.34 0.00 0.00 178.44 178.63