#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j0i h HIS 301 N 0.00 -0.11 -0.19 7.33 -0.00 -1.99 -1.45 115.15 118.74 2j0i h HIS 301 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 2j0i h HIS 301 Cb 0.00 0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.45 2j0i h HIS 301 CO 0.00 -0.07 -0.14 0.93 -0.00 0.00 0.00 177.93 178.64 2j0i h GLU 302 N -0.07 0.32 -0.64 5.26 4.39 -2.03 0.76 114.58 122.56 2j0i h GLU 302 Ca 0.02 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 2j0i h GLU 302 Cb 0.10 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 2j0i h GLU 302 CO -0.05 0.46 0.19 0.37 -1.16 0.00 0.00 179.01 178.82 2j0i h GLN 303 N 0.30 1.00 -0.27 2.33 4.15 -1.94 -1.74 115.11 118.93 2j0i h GLN 303 Ca 0.06 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.23 2j0i h GLN 303 Cb 0.44 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 2j0i h GLN 303 CO 0.03 0.88 0.07 0.35 -1.93 0.00 0.00 178.83 178.22 2j0i h PHE 304 N 0.92 0.45 -0.56 3.99 3.57 -0.50 -2.91 116.94 121.91 2j0i h PHE 304 Ca 0.21 -0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.73 2j0i h PHE 304 Cb 0.30 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.85 2j0i h PHE 304 CO 0.02 0.51 0.22 0.00 -2.23 0.00 0.00 178.31 176.83 2j0i h ARG 305 N 0.27 0.40 -0.44 1.11 3.08 -0.73 -1.23 114.38 116.83 2j0i h ARG 305 Ca 0.09 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.14 2j0i h ARG 305 Cb 0.28 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 2j0i h ARG 305 CO 0.00 0.27 0.24 0.00 -1.07 0.00 0.00 179.97 179.41 2j0i h ALA 306 N 1.37 0.56 -0.36 0.04 0.00 -1.28 -0.90 119.26 118.68 2j0i h ALA 306 Ca 0.27 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2j0i h ALA 306 Cb 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2j0i h ALA 306 CO -0.26 -0.10 0.15 0.00 0.00 0.00 0.00 179.25 179.05 2j0i h ALA 307 N 1.22 0.47 -0.37 0.00 0.00 -1.24 -2.57 119.26 116.76 2j0i h ALA 307 Ca 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2j0i h ALA 307 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2j0i h ALA 307 CO -0.11 0.06 0.12 1.25 0.00 0.00 0.00 179.25 180.57 2j0i h LEU 308 N 0.44 0.48 -1.88 0.00 5.85 -0.97 -2.01 115.31 117.23 2j0i h LEU 308 Ca 0.12 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.80 2j0i h LEU 308 Cb 0.17 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2j0i h LEU 308 CO -0.01 0.46 0.11 -0.61 -0.34 0.00 0.00 178.44 178.05 2j0i h GLN 309 N 0.52 0.16 0.00 1.25 5.75 -0.75 -1.72 115.11 120.33 2j0i h GLN 309 Ca 0.13 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 2j0i h GLN 309 Cb 0.16 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.67 2j0i h GLN 309 CO -0.01 0.11 -0.06 -0.07 -2.65 0.00 0.00 178.83 176.15 2j0i h LEU 310 N 0.17 0.00 0.00 -2.39 3.38 -1.28 -3.29 115.31 111.90 2j0i h LEU 310 Ca 0.06 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 2j0i h LEU 310 Cb 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2j0i h LEU 310 CO -0.01 0.06 -2.04 1.33 0.09 0.00 0.00 178.44 177.87 2j0i n VAL 311 N -3.17 0.51 -2.16 1.22 0.24 -0.68 -4.99 118.33 109.30 2j0i n VAL 311 Ca 0.01 -0.58 -0.27 0.00 -2.04 0.00 0.00 64.34 61.46 2j0i n VAL 311 Cb 0.35 -0.18 0.10 0.00 -1.47 0.00 0.00 33.84 32.63 2j0i n VAL 311 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2j0i s VAL 312 N -2.98 2.18 0.46 3.34 -7.23 -1.02 -4.92 120.40 110.22 2j0i s VAL 312 Ca -0.08 -0.23 -0.21 0.00 -1.81 0.00 0.00 61.98 59.65 2j0i s VAL 312 Cb 0.10 -2.95 -0.09 0.00 0.56 0.00 0.00 36.38 34.00 2j0i s VAL 312 CO 0.78 0.00 1.02 -1.81 -0.31 0.00 0.00 175.10 174.79 2j0i s ASP 313 N -4.62 6.53 0.58 4.85 1.01 0.49 -4.98 116.67 120.53 2j0i s ASP 313 Ca 0.64 1.90 -0.14 0.00 0.71 0.00 0.00 52.55 55.66 2j0i s ASP 313 Cb -0.09 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 2j0i s ASP 313 CO 0.47 -0.65 1.02 -2.16 0.21 0.00 0.00 175.17 174.05 2j0i s PRO 314 N -3.08 3.66 0.13 8.23 0.04 -1.26 -4.54 135.00 138.17 2j0i s PRO 314 Ca 0.65 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2j0i s PRO 314 Cb -0.16 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2j0i s PRO 314 CO 0.20 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.13 2j0i n GLY 315 N -1.96 -2.58 2.97 0.56 0.00 -1.26 -4.98 105.19 97.94 2j0i n GLY 315 Ca 0.07 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 2j0i n GLY 315 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2j0i s ASP 316 N -2.68 3.25 0.44 1.61 -1.08 -1.26 -4.77 116.67 112.18 2j0i s ASP 316 Ca 0.00 -0.83 0.31 0.00 -0.52 0.00 0.00 52.55 51.51 2j0i s ASP 316 Cb 0.00 -1.16 1.37 0.00 -1.46 0.00 0.00 42.92 41.67 2j0i s ASP 316 CO 0.00 -0.15 1.91 1.55 0.52 0.00 0.00 175.17 179.00 2j0i h PRO 317 N 8.01 0.00 0.00 4.34 0.13 -1.97 -2.46 132.00 140.05 2j0i h PRO 317 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2j0i h PRO 317 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2j0i h PRO 317 CO 0.46 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.77 2j0i n ARG 318 N -2.71 0.07 0.12 0.86 1.74 -1.26 -1.20 116.66 114.28 2j0i n ARG 318 Ca 0.00 0.24 0.04 0.00 -0.77 0.00 0.00 57.85 57.36 2j0i n ARG 318 Cb 0.22 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.17 2j0i n ARG 318 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2j0i h SER 319 N 0.00 0.00 0.00 0.55 4.64 -1.88 -3.39 113.55 113.47 2j0i h SER 319 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2j0i h SER 319 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2j0i h SER 319 CO 0.00 0.40 0.00 0.00 -0.87 0.00 0.00 176.83 176.36 2j0i n TYR 320 N -3.07 0.00 -4.70 4.77 0.18 -0.87 -4.98 117.16 108.49 2j0i n TYR 320 Ca -0.01 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.48 2j0i n TYR 320 Cb 0.72 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.54 2j0i n TYR 320 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2j0i s LEU 321 N -0.76 2.23 0.36 -3.48 1.43 -0.34 -0.82 118.68 117.29 2j0i s LEU 321 Ca 0.00 -0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 52.42 2j0i s LEU 321 Cb 0.00 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 44.98 2j0i s LEU 321 CO 0.00 0.22 0.51 -0.62 0.23 0.00 0.00 176.35 176.69 2j0i s ASP 322 N -1.55 0.93 -1.23 2.29 -1.08 -0.32 -4.60 116.67 111.10 2j0i s ASP 322 Ca 0.12 -1.50 -0.03 0.00 -0.52 0.00 0.00 52.55 50.63 2j0i s ASP 322 Cb -0.10 0.69 -0.01 0.00 -1.46 0.00 0.00 42.92 42.04 2j0i s ASP 322 CO 0.04 -1.35 0.80 0.59 0.52 0.00 0.00 175.17 175.76 2j0i n ASN 323 N -1.50 -2.42 -4.72 -0.34 3.02 -1.26 -0.87 115.26 107.16 2j0i n ASN 323 Ca 0.00 -0.78 -0.42 0.00 -0.03 0.00 0.00 54.58 53.35 2j0i n ASN 323 Cb 0.61 -4.38 -0.03 0.00 -0.61 0.00 0.00 39.78 35.37 2j0i n ASN 323 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2j0i s PHE 324 N -3.55 3.23 -0.17 3.10 0.08 -1.26 -4.35 117.98 115.05 2j0i s PHE 324 Ca 0.10 0.99 -0.00 0.00 0.12 0.00 0.00 56.93 58.14 2j0i s PHE 324 Cb -0.02 -3.69 0.04 0.00 -0.57 0.00 0.00 43.02 38.78 2j0i s PHE 324 CO 0.79 -2.36 -0.07 0.42 -0.10 0.00 0.00 175.22 173.90 2j0i s ILE 325 N 0.85 1.29 0.05 0.64 1.01 0.17 -4.97 121.20 120.23 2j0i s ILE 325 Ca 0.63 -0.73 -0.31 0.00 0.00 0.00 0.00 60.65 60.24 2j0i s ILE 325 Cb -0.37 -1.42 -0.07 0.00 0.01 0.00 0.00 42.46 40.61 2j0i s ILE 325 CO 0.33 0.16 1.45 -0.75 0.00 0.00 0.00 174.94 176.13 2j0i s LYS 326 N 1.56 4.27 0.00 2.79 2.20 -1.26 -0.61 119.74 128.69 2j0i s LYS 326 Ca 0.00 2.07 0.00 0.00 -0.36 0.00 0.00 55.97 57.69 2j0i s LYS 326 Cb -0.15 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 2j0i s LYS 326 CO -0.08 -0.57 0.27 0.44 -0.36 0.00 0.00 175.35 175.05 2j0i n ILE 327 N 4.47 0.00 -3.64 5.43 -5.35 -0.23 -4.94 119.36 115.11 2j0i n ILE 327 Ca 0.13 -0.41 -0.04 0.00 -0.27 0.00 0.00 62.75 62.16 2j0i n ILE 327 Cb 0.43 1.12 -0.01 0.00 -1.74 0.00 0.00 39.64 39.43 2j0i n ILE 327 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2j0i s GLY 328 N -0.28 -0.34 -0.08 3.28 0.00 -1.08 -5.00 107.32 103.82 2j0i s GLY 328 Ca 0.00 0.66 -0.06 0.00 0.00 0.00 0.00 44.72 45.32 2j0i s GLY 328 CO 0.00 0.18 0.20 1.85 0.00 0.00 0.00 173.10 175.33 2j0i s GLU 329 N -2.97 0.21 0.00 2.90 2.12 -1.26 -1.43 118.70 118.27 2j0i s GLU 329 Ca 0.10 0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.76 2j0i s GLU 329 Cb -0.00 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.43 2j0i s GLU 329 CO -0.03 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 2j0i n GLY 330 N 3.34 4.90 0.26 -1.50 0.00 0.98 -5.00 105.19 108.16 2j0i n GLY 330 Ca -0.16 -2.03 -0.01 0.00 0.00 0.00 0.00 46.02 43.82 2j0i n GLY 330 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2j0i h SER 331 N 0.00 0.45 0.15 1.61 4.64 -2.02 -3.21 113.55 115.17 2j0i h SER 331 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2j0i h SER 331 Cb 0.00 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2j0i h SER 331 CO 0.00 0.59 -1.46 0.35 -0.87 0.00 0.00 176.83 175.44 2j0i n THR 332 N -4.22 0.07 -1.08 2.95 -2.24 -1.26 -4.91 114.28 103.58 2j0i n THR 332 Ca 0.01 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2j0i n THR 332 Cb 0.30 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2j0i n THR 332 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j0i n GLY 333 N 1.35 -0.59 3.50 3.38 0.00 -1.21 -4.10 105.19 107.52 2j0i n GLY 333 Ca -0.00 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 2j0i n GLY 333 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2j0i s ILE 334 N -3.70 2.66 -0.05 -0.61 -4.36 -0.58 -0.02 121.20 114.55 2j0i s ILE 334 Ca 0.00 -2.28 0.06 0.00 -0.26 0.00 0.00 60.65 58.17 2j0i s ILE 334 Cb 0.00 -2.39 -0.01 0.00 1.25 0.00 0.00 42.46 41.31 2j0i s ILE 334 CO 0.00 -0.37 -0.24 -0.69 0.24 0.00 0.00 174.94 173.88 2j0i s VAL 335 N -2.41 1.97 0.11 8.37 1.01 -0.52 -1.09 120.40 127.84 2j0i s VAL 335 Ca 0.30 -1.03 0.07 0.00 0.00 0.00 0.00 61.98 61.32 2j0i s VAL 335 Cb -0.06 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 2j0i s VAL 335 CO 0.16 0.55 -0.18 0.00 0.00 0.00 0.00 175.10 175.62 2j0i s ILE 337 N -1.48 4.61 0.05 0.00 1.01 0.22 -0.66 121.20 124.95 2j0i s ILE 337 Ca 0.07 1.28 0.00 0.00 0.00 0.00 0.00 60.65 62.00 2j0i s ILE 337 Cb -0.09 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 2j0i s ILE 337 CO 0.04 0.33 -0.04 0.00 0.00 0.00 0.00 174.94 175.27 2j0i s ALA 338 N -1.37 0.53 -0.16 9.38 0.00 -0.15 -0.66 121.76 129.33 2j0i s ALA 338 Ca 0.38 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.25 2j0i s ALA 338 Cb -0.18 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 2j0i s ALA 338 CO 0.21 -0.25 0.05 0.99 0.00 0.00 0.00 175.76 176.76 2j0i s THR 339 N -2.95 4.66 -0.17 0.00 2.01 -0.05 -1.21 115.64 117.94 2j0i s THR 339 Ca 0.00 -0.09 -0.29 0.00 0.31 0.00 0.00 61.69 61.62 2j0i s THR 339 Cb 0.01 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 2j0i s THR 339 CO -0.05 0.50 1.39 -0.69 -0.69 0.00 0.00 174.62 175.08 2j0i s VAL 340 N 0.02 4.06 0.35 3.82 1.01 0.75 -1.17 120.40 129.24 2j0i s VAL 340 Ca 0.05 1.26 0.04 0.00 0.00 0.00 0.00 61.98 63.33 2j0i s VAL 340 Cb -0.12 -3.88 0.28 0.00 0.00 0.00 0.00 36.38 32.66 2j0i s VAL 340 CO 0.01 -0.18 1.98 0.03 0.00 0.00 0.00 175.10 176.94 2j0i h ARG 341 N 8.88 0.80 -0.12 2.72 3.08 -1.31 0.59 114.38 129.02 2j0i h ARG 341 Ca -0.30 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.56 2j0i h ARG 341 Cb 1.12 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 2j0i h ARG 341 CO 0.98 0.53 -0.55 0.66 -1.07 0.00 0.00 179.97 180.52 2j0i h SER 342 N 0.82 0.39 0.00 7.04 4.64 -1.91 -3.39 113.55 121.15 2j0i h SER 342 Ca 0.28 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2j0i h SER 342 Cb 0.10 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2j0i h SER 342 CO -0.08 0.86 -0.94 -1.54 -0.87 0.00 0.00 176.83 174.26 2j0i n SER 343 N -3.93 4.72 0.00 4.97 3.41 -1.05 -5.02 113.62 116.72 2j0i n SER 343 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2j0i n SER 343 Cb 0.59 0.80 0.00 0.00 -0.26 0.00 0.00 64.21 65.34 2j0i n SER 343 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2j0i n GLY 344 N 2.51 0.82 3.77 5.00 0.00 0.17 -5.03 105.19 112.43 2j0i n GLY 344 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2j0i n GLY 344 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2j0i s LYS 345 N -0.28 4.30 -0.05 1.61 2.20 -1.25 -4.66 119.74 121.60 2j0i s LYS 345 Ca 0.00 2.17 -0.19 0.00 -0.36 0.00 0.00 55.97 57.59 2j0i s LYS 345 Cb 0.00 -3.01 -0.05 0.00 -1.51 0.00 0.00 37.83 33.26 2j0i s LYS 345 CO 0.00 -0.22 0.52 -0.51 -0.36 0.00 0.00 175.35 174.79 2j0i s LEU 346 N -1.91 4.37 0.29 5.43 1.43 -1.26 -0.18 118.68 126.85 2j0i s LEU 346 Ca 0.50 1.00 0.04 0.00 -1.03 0.00 0.00 54.13 54.63 2j0i s LEU 346 Cb -0.39 -2.79 -0.06 0.00 0.03 0.00 0.00 46.19 42.99 2j0i s LEU 346 CO 0.51 0.09 0.04 0.68 0.23 0.00 0.00 176.35 177.90 2j0i s VAL 347 N 0.02 1.10 -0.01 -1.59 -7.23 -0.35 -4.51 120.40 107.84 2j0i s VAL 347 Ca 0.28 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 2j0i s VAL 347 Cb -0.17 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 2j0i s VAL 347 CO 0.14 -0.11 0.04 0.00 -0.31 0.00 0.00 175.10 174.86 2j0i s ALA 348 N -3.37 3.44 -0.09 1.32 0.00 -0.28 -0.98 121.76 121.80 2j0i s ALA 348 Ca 0.34 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 2j0i s ALA 348 Cb 0.07 -1.47 0.03 0.00 0.00 0.00 0.00 23.12 21.75 2j0i s ALA 348 CO 0.13 0.66 -0.05 0.08 0.00 0.00 0.00 175.76 176.59 2j0i s VAL 349 N -1.12 0.76 -0.08 0.00 1.01 0.16 -0.43 120.40 120.70 2j0i s VAL 349 Ca 0.21 -0.13 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 2j0i s VAL 349 Cb -0.12 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 2j0i s VAL 349 CO 0.11 0.32 0.20 -1.59 0.00 0.00 0.00 175.10 174.14 2j0i s LYS 350 N 1.71 3.54 -0.13 2.72 -2.85 -0.29 -0.66 119.74 123.79 2j0i s LYS 350 Ca 0.03 -0.03 0.01 0.00 -1.00 0.00 0.00 55.97 54.98 2j0i s LYS 350 Cb -0.13 -3.18 0.02 0.00 -2.06 0.00 0.00 37.83 32.48 2j0i s LYS 350 CO -0.06 0.75 -0.13 0.15 0.10 0.00 0.00 175.35 176.16 2j0i s LYS 351 N -1.12 2.16 -0.14 1.78 1.02 -0.25 -0.80 119.74 122.38 2j0i s LYS 351 Ca 0.18 -0.51 0.02 0.00 0.02 0.00 0.00 55.97 55.68 2j0i s LYS 351 Cb -0.13 -1.97 0.01 0.00 -0.52 0.00 0.00 37.83 35.23 2j0i s LYS 351 CO 0.07 -0.19 -0.19 -1.64 -0.92 0.00 0.00 175.35 172.48 2j0i s MET 352 N 1.39 2.72 -0.16 1.68 -1.94 -0.15 -1.52 119.30 121.33 2j0i s MET 352 Ca 0.02 -0.74 -0.29 0.00 -1.71 0.00 0.00 55.69 52.97 2j0i s MET 352 Cb -0.13 -2.28 -0.01 0.00 2.01 0.00 0.00 34.83 34.43 2j0i s MET 352 CO -0.08 -0.08 1.07 0.34 -0.01 0.00 0.00 175.02 176.26 2j0i s ASP 353 N 1.01 7.14 0.55 3.03 -1.08 -1.26 -0.66 116.67 125.39 2j0i s ASP 353 Ca -0.04 1.52 0.37 0.00 -0.52 0.00 0.00 52.55 53.88 2j0i s ASP 353 Cb -0.15 -2.55 1.94 0.00 -1.46 0.00 0.00 42.92 40.70 2j0i s ASP 353 CO -0.05 -0.58 2.12 -0.07 0.52 0.00 0.00 175.17 177.11 2j0i h LEU 354 N 8.78 0.00 -0.80 -1.34 4.07 -1.34 -2.25 115.31 122.43 2j0i h LEU 354 Ca -0.26 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.70 2j0i h LEU 354 Cb 1.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.85 2j0i h LEU 354 CO 0.92 0.00 -0.35 0.54 -1.08 0.00 0.00 178.44 178.47 2j0i n ARG 355 N -2.83 1.09 -0.62 1.13 1.74 -1.26 -4.46 116.66 111.45 2j0i n ARG 355 Ca -0.02 -0.80 0.06 0.00 -0.77 0.00 0.00 57.85 56.32 2j0i n ARG 355 Cb 0.09 -1.48 0.18 0.00 -1.02 0.00 0.00 32.46 30.22 2j0i n ARG 355 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2j0i n LYS 356 N -0.26 1.35 -4.00 5.56 5.02 -0.84 -5.03 118.16 119.96 2j0i n LYS 356 Ca 0.11 -3.03 -0.36 0.00 -2.02 0.00 0.00 58.31 53.01 2j0i n LYS 356 Cb 0.42 -1.41 -0.07 0.00 -0.02 0.00 0.00 35.03 33.95 2j0i n LYS 356 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2j0i s GLN 357 N -2.78 3.32 0.24 1.97 -1.52 -1.25 -4.94 119.66 114.69 2j0i s GLN 357 Ca 0.36 -0.23 -0.04 0.00 -1.95 0.00 0.00 55.36 53.50 2j0i s GLN 357 Cb 0.35 -3.08 0.26 0.00 -0.22 0.00 0.00 33.01 30.33 2j0i s GLN 357 CO -0.07 0.75 1.75 -0.56 -0.25 0.00 0.00 175.29 176.91 2j0i h GLN 358 N 4.85 0.93 -2.83 2.91 -0.00 -1.96 -3.38 115.11 115.64 2j0i h GLN 358 Ca -0.53 -0.23 -0.56 0.00 -0.00 0.00 0.00 58.65 57.32 2j0i h GLN 358 Cb 1.22 -0.12 -0.40 0.00 -0.00 0.00 0.00 27.48 28.18 2j0i h GLN 358 CO 0.59 0.87 -0.80 0.50 -0.00 0.00 0.00 178.83 179.99 2j0i s ARG 359 N -5.15 0.50 0.32 0.06 3.52 -1.26 -5.03 118.95 111.90 2j0i s ARG 359 Ca -0.10 -1.04 0.06 0.00 -0.13 0.00 0.00 55.73 54.52 2j0i s ARG 359 Cb 0.15 -1.43 0.73 0.00 -1.56 0.00 0.00 34.95 32.83 2j0i s ARG 359 CO 0.82 -1.10 1.82 -0.09 -0.81 0.00 0.00 175.30 175.94 2j0i h ARG 360 N 7.69 0.77 0.00 5.12 2.43 -1.92 -2.31 114.38 126.16 2j0i h ARG 360 Ca -0.08 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2j0i h ARG 360 Cb 0.99 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2j0i h ARG 360 CO 0.38 0.51 -0.04 1.05 -1.51 0.00 0.00 179.97 180.36 2j0i h GLU 361 N 0.79 0.00 0.00 0.20 9.09 -1.97 -2.00 114.58 120.69 2j0i h GLU 361 Ca 0.52 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.93 2j0i h GLU 361 Cb 0.77 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.87 2j0i h GLU 361 CO -0.30 0.04 -0.04 -0.07 0.05 0.00 0.00 179.01 178.69 2j0i h LEU 362 N 0.00 0.00 -2.76 3.06 3.38 -1.78 -2.91 115.31 114.30 2j0i h LEU 362 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2j0i h LEU 362 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2j0i h LEU 362 CO 0.00 0.04 -0.00 -0.07 0.09 0.00 0.00 178.44 178.50 2j0i h LEU 363 N 0.00 0.00 -1.08 1.67 3.38 -1.56 -1.32 115.31 116.40 2j0i h LEU 363 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2j0i h LEU 363 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2j0i h LEU 363 CO 0.00 0.00 -0.35 -0.26 0.09 0.00 0.00 178.44 177.93 2j0i h PHE 364 N 0.00 0.00 0.55 1.13 0.04 -1.75 -3.39 116.94 113.53 2j0i h PHE 364 Ca -0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 2j0i h PHE 364 Cb 0.06 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.21 2j0i h PHE 364 CO 0.00 0.35 -0.27 -0.91 -0.60 0.00 0.00 178.31 176.88 2j0i h ASN 365 N 0.00 -0.63 -0.49 2.17 2.35 -1.45 -2.98 115.58 114.55 2j0i h ASN 365 Ca -0.00 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2j0i h ASN 365 Cb 0.81 0.16 -0.03 0.00 0.05 0.00 0.00 38.32 39.32 2j0i h ASN 365 CO 0.05 -0.22 0.31 -0.08 -1.65 0.00 0.00 177.43 175.84 2j0i h GLU 366 N -1.20 0.62 0.00 0.81 4.81 -1.77 0.11 114.58 117.96 2j0i h GLU 366 Ca -0.08 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2j0i h GLU 366 Cb 0.57 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 2j0i h GLU 366 CO 0.12 0.41 -0.06 -0.39 -0.73 0.00 0.00 179.01 178.36 2j0i h VAL 367 N 0.63 0.48 0.00 0.32 -1.51 -1.75 -1.91 116.25 112.51 2j0i h VAL 367 Ca 0.18 -0.30 -0.30 0.00 -1.23 0.00 0.00 66.70 65.06 2j0i h VAL 367 Cb -0.05 1.20 -0.04 0.00 -2.13 0.00 0.00 31.29 30.27 2j0i h VAL 367 CO -0.05 0.06 -1.72 0.52 -1.23 0.00 0.00 177.57 175.15 2j0i n VAL 368 N -3.64 1.52 -0.25 7.19 0.31 -1.01 -4.14 118.33 118.30 2j0i n VAL 368 Ca -0.02 -0.15 -0.07 0.00 -0.01 0.00 0.00 64.34 64.09 2j0i n VAL 368 Cb 0.17 -2.02 0.05 0.00 -0.91 0.00 0.00 33.84 31.13 2j0i n VAL 368 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2j0i h ILE 369 N -1.00 1.25 -0.57 2.52 2.04 -0.66 -2.91 117.51 118.18 2j0i h ILE 369 Ca -0.45 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 64.59 2j0i h ILE 369 Cb 1.36 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2j0i h ILE 369 CO -0.27 0.32 0.00 0.23 0.00 0.00 0.00 178.15 178.43 2j0i n MET 370 N -4.34 2.48 -1.84 2.37 2.81 -0.73 -4.85 117.12 113.02 2j0i n MET 370 Ca 0.05 -2.28 -0.42 0.00 -1.81 0.00 0.00 57.70 53.24 2j0i n MET 370 Cb 0.20 -1.51 -0.03 0.00 -0.71 0.00 0.00 33.22 31.17 2j0i n MET 370 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 2j0i s ARG 371 N -1.25 4.17 -1.55 0.03 3.52 -1.10 -2.35 118.95 120.42 2j0i s ARG 371 Ca 0.42 2.48 0.00 0.00 -0.13 0.00 0.00 55.73 58.50 2j0i s ARG 371 Cb 0.23 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.50 2j0i s ARG 371 CO 0.30 -0.67 0.00 -0.25 -0.81 0.00 0.00 175.30 173.87 2j0i n ASP 372 N 3.90 -5.43 -4.73 -2.12 8.00 -1.26 -4.97 116.55 109.93 2j0i n ASP 372 Ca 0.14 0.36 -0.41 0.00 0.71 0.00 0.00 54.79 55.60 2j0i n ASP 372 Cb 0.37 -4.34 -0.04 0.00 -0.02 0.00 0.00 41.12 37.08 2j0i n ASP 372 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2j0i s TYR 373 N -2.23 3.74 -0.09 1.24 5.04 -0.99 -5.04 117.35 119.01 2j0i s TYR 373 Ca 0.00 1.72 -0.02 0.00 -2.44 0.00 0.00 57.07 56.34 2j0i s TYR 373 Cb 0.00 -3.13 0.03 0.00 0.35 0.00 0.00 41.96 39.22 2j0i s TYR 373 CO 0.00 -0.06 0.00 -0.65 -1.34 0.00 0.00 175.55 173.51 2j0i s GLN 374 N 0.06 0.64 -0.09 4.97 1.11 -1.26 -4.68 119.66 120.40 2j0i s GLN 374 Ca 0.48 0.02 -0.14 0.00 0.01 0.00 0.00 55.36 55.73 2j0i s GLN 374 Cb -0.25 -1.16 0.03 0.00 -1.01 0.00 0.00 33.01 30.62 2j0i s GLN 374 CO 0.31 -0.35 0.37 -1.58 0.01 0.00 0.00 175.29 174.04 2j0i s HIS 375 N 1.95 -0.34 0.50 0.91 5.04 -1.26 -5.06 115.29 117.03 2j0i s HIS 375 Ca 0.04 0.76 0.31 0.00 -1.54 0.00 0.00 55.06 54.63 2j0i s HIS 375 Cb -0.13 0.14 1.72 0.00 0.04 0.00 0.00 32.58 34.35 2j0i s HIS 375 CO -0.06 -0.28 2.18 1.05 -2.34 0.00 0.00 174.74 175.29 2j0i h GLU 376 N 4.88 0.00 -0.39 2.88 9.09 -2.00 -1.68 114.58 127.35 2j0i h GLU 376 Ca -0.28 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.08 2j0i h GLU 376 Cb 1.18 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.25 2j0i h GLU 376 CO 0.32 0.05 0.03 0.09 0.05 0.00 0.00 179.01 179.55 2j0i n ASN 377 N -3.62 4.22 -4.01 3.06 4.13 -1.26 -4.84 115.26 112.94 2j0i n ASN 377 Ca -0.02 -3.11 -0.25 0.00 1.68 0.00 0.00 54.58 52.88 2j0i n ASN 377 Cb 0.16 -0.61 -0.17 0.00 -1.54 0.00 0.00 39.78 37.63 2j0i n ASN 377 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2j0i s VAL 378 N -2.89 1.11 0.09 2.41 1.01 -0.63 -0.41 120.40 121.09 2j0i s VAL 378 Ca 0.47 -0.46 -0.31 0.00 0.00 0.00 0.00 61.98 61.68 2j0i s VAL 378 Cb 0.38 -1.03 -0.09 0.00 0.00 0.00 0.00 36.38 35.64 2j0i s VAL 378 CO 0.10 0.35 1.72 -0.69 0.00 0.00 0.00 175.10 176.58 2j0i s VAL 379 N 0.75 2.85 0.09 2.92 1.01 -0.26 -4.53 120.40 123.23 2j0i s VAL 379 Ca -0.13 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 2j0i s VAL 379 Cb -0.16 -3.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.96 2j0i s VAL 379 CO 0.03 -0.00 1.08 -0.70 0.00 0.00 0.00 175.10 175.50 2j0i s GLU 380 N 2.70 4.56 -0.20 2.72 2.12 -1.26 -4.91 118.70 124.44 2j0i s GLU 380 Ca 0.77 1.62 -0.15 0.00 0.36 0.00 0.00 54.97 57.57 2j0i s GLU 380 Cb -0.42 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 2j0i s GLU 380 CO 0.34 -0.03 0.36 1.41 -0.54 0.00 0.00 175.26 176.80 2j0i s MET 381 N 0.42 4.18 -0.20 4.30 -2.45 -1.26 -1.11 119.30 123.18 2j0i s MET 381 Ca 0.52 0.15 -0.14 0.00 -1.25 0.00 0.00 55.69 54.97 2j0i s MET 381 Cb -0.26 -3.52 -0.19 0.00 1.25 0.00 0.00 34.83 32.10 2j0i s MET 381 CO 0.31 0.02 0.10 0.66 1.05 0.00 0.00 175.02 177.16 2j0i n TYR 382 N 4.30 0.79 -3.57 4.11 4.01 0.66 -4.55 117.16 122.91 2j0i n TYR 382 Ca -0.09 0.27 -0.11 0.00 -0.16 0.00 0.00 57.90 57.81 2j0i n TYR 382 Cb 0.51 -1.09 -0.03 0.00 -0.31 0.00 0.00 39.34 38.42 2j0i n TYR 382 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2j0i s ASN 383 N -7.00 -0.36 0.04 7.72 0.01 -1.15 -4.95 114.94 109.26 2j0i s ASN 383 Ca -0.30 -0.23 0.02 0.00 -0.71 0.00 0.00 52.86 51.65 2j0i s ASN 383 Cb 0.08 0.54 -0.02 0.00 0.41 0.00 0.00 41.25 42.25 2j0i s ASN 383 CO 0.62 -0.93 -0.08 -0.94 -1.51 0.00 0.00 177.10 174.27 2j0i s SER 384 N -2.80 0.85 0.01 -1.22 1.04 -1.26 -0.77 113.70 109.55 2j0i s SER 384 Ca 0.03 -0.53 -0.10 0.00 0.48 0.00 0.00 55.95 55.83 2j0i s SER 384 Cb 0.00 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.16 2j0i s SER 384 CO -0.11 -0.19 0.21 -0.31 0.98 0.00 0.00 173.24 173.82 2j0i s TYR 385 N -1.31 -0.03 -0.35 5.02 2.02 -0.09 -0.38 117.35 122.24 2j0i s TYR 385 Ca -0.09 -0.03 -0.14 0.00 -0.37 0.00 0.00 57.07 56.44 2j0i s TYR 385 Cb -0.10 0.01 -0.01 0.00 -0.40 0.00 0.00 41.96 41.46 2j0i s TYR 385 CO 0.00 -0.36 0.29 -1.17 -1.57 0.00 0.00 175.55 172.75 2j0i s LEU 386 N -1.53 4.52 -0.44 -1.29 2.96 -1.26 -0.88 118.68 120.77 2j0i s LEU 386 Ca -0.12 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 53.45 2j0i s LEU 386 Cb -0.05 -2.22 0.12 0.00 0.50 0.00 0.00 46.19 44.53 2j0i s LEU 386 CO 0.01 -0.29 0.17 -0.69 -1.32 0.00 0.00 176.35 174.23 2j0i s VAL 387 N 1.84 2.49 0.00 1.68 1.01 0.07 -5.01 120.40 122.48 2j0i s VAL 387 Ca 0.08 -2.84 0.00 0.00 0.00 0.00 0.00 61.98 59.22 2j0i s VAL 387 Cb -0.17 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.43 2j0i s VAL 387 CO 0.11 -0.71 0.00 0.61 0.00 0.00 0.00 175.10 175.11 2j0i n GLY 388 N 3.67 3.87 1.36 4.51 0.00 -1.26 -1.82 105.19 115.52 2j0i n GLY 388 Ca 0.04 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.16 2j0i n GLY 388 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j0i n ASP 389 N 8.54 3.99 -4.31 1.61 8.00 -1.26 -4.92 116.55 128.20 2j0i n ASP 389 Ca 0.00 -2.25 -0.29 0.00 0.71 0.00 0.00 54.79 52.96 2j0i n ASP 389 Cb 0.00 -0.50 -0.15 0.00 -0.02 0.00 0.00 41.12 40.44 2j0i n ASP 389 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2j0i s GLU 390 N -1.56 1.83 -0.18 -1.24 2.02 -0.76 -0.80 118.70 118.02 2j0i s GLU 390 Ca 0.45 -0.99 -0.20 0.00 0.02 0.00 0.00 54.97 54.25 2j0i s GLU 390 Cb 0.27 -1.89 -0.03 0.00 0.10 0.00 0.00 34.13 32.58 2j0i s GLU 390 CO 0.25 0.50 0.60 -1.17 0.02 0.00 0.00 175.26 175.46 2j0i s LEU 391 N -0.94 4.17 -0.13 1.80 2.96 0.17 -0.75 118.68 125.95 2j0i s LEU 391 Ca 0.10 0.83 -0.03 0.00 -0.22 0.00 0.00 54.13 54.81 2j0i s LEU 391 Cb -0.10 -2.85 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 2j0i s LEU 391 CO 0.01 -0.22 -0.04 0.26 -1.32 0.00 0.00 176.35 175.04 2j0i s TRP 392 N 1.66 3.02 -0.17 5.38 0.52 -0.05 -0.97 118.94 128.32 2j0i s TRP 392 Ca 0.28 -0.18 0.01 0.00 0.02 0.00 0.00 56.10 56.22 2j0i s TRP 392 Cb -0.16 -1.89 0.02 0.00 -1.15 0.00 0.00 33.47 30.30 2j0i s TRP 392 CO 0.11 0.09 -0.18 0.08 0.02 0.00 0.00 176.95 177.07 2j0i s VAL 393 N -0.01 1.88 -0.14 4.03 1.01 0.02 -0.91 120.40 126.28 2j0i s VAL 393 Ca 0.01 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 2j0i s VAL 393 Cb -0.13 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 2j0i s VAL 393 CO 0.03 0.49 0.39 -0.69 0.00 0.00 0.00 175.10 175.32 2j0i s VAL 394 N 1.36 5.24 0.10 2.92 1.01 0.05 -1.13 120.40 129.95 2j0i s VAL 394 Ca 0.05 0.76 -0.03 0.00 0.00 0.00 0.00 61.98 62.76 2j0i s VAL 394 Cb -0.13 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2j0i s VAL 394 CO -0.12 0.35 0.06 -0.04 0.00 0.00 0.00 175.10 175.35 2j0i s MET 395 N 0.61 0.84 0.25 2.72 -1.94 0.43 -0.25 119.30 121.96 2j0i s MET 395 Ca 0.21 -1.29 -0.31 0.00 -1.71 0.00 0.00 55.69 52.59 2j0i s MET 395 Cb -0.14 0.26 -0.13 0.00 2.01 0.00 0.00 34.83 36.83 2j0i s MET 395 CO 0.07 -0.23 1.49 -1.91 -0.01 0.00 0.00 175.02 174.43 2j0i n GLU 396 N -0.03 2.28 -3.10 2.03 2.13 -0.27 -1.13 120.64 122.55 2j0i n GLU 396 Ca -0.09 0.81 -0.40 0.00 0.66 0.00 0.00 57.16 58.14 2j0i n GLU 396 Cb 0.63 -2.52 -0.05 0.00 0.27 0.00 0.00 31.44 29.76 2j0i n GLU 396 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2j0i s PHE 397 N 0.03 3.43 -0.60 4.31 5.36 -1.26 -4.46 117.98 124.79 2j0i s PHE 397 Ca 0.67 1.02 -0.07 0.00 -0.96 0.00 0.00 56.93 57.59 2j0i s PHE 397 Cb -0.59 -2.80 0.15 0.00 -0.34 0.00 0.00 43.02 39.44 2j0i s PHE 397 CO 0.48 -0.10 0.45 -0.51 -1.46 0.00 0.00 175.22 174.09 2j0i s LEU 398 N 1.59 5.69 0.32 6.12 2.01 -1.26 -4.96 118.68 128.19 2j0i s LEU 398 Ca 0.31 -2.44 0.25 0.00 0.01 0.00 0.00 54.13 52.26 2j0i s LEU 398 Cb -0.16 -1.97 1.11 0.00 0.01 0.00 0.00 46.19 45.18 2j0i s LEU 398 CO 0.12 -0.53 1.77 1.05 1.01 0.00 0.00 176.35 179.76 2j0i h GLU 399 N 7.74 0.00 0.00 1.70 9.09 -1.92 -2.64 114.58 128.55 2j0i h GLU 399 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.34 2j0i h GLU 399 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.12 2j0i h GLU 399 CO 0.77 0.00 0.00 0.41 0.05 0.00 0.00 179.01 180.24 2j0i n GLY 400 N -0.22 -1.20 7.00 1.06 0.00 0.50 -4.83 105.19 107.50 2j0i n GLY 400 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2j0i n GLY 400 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j0i n GLY 401 N 1.09 -1.43 3.83 -0.02 0.00 -0.99 -4.65 105.19 103.02 2j0i n GLY 401 Ca 0.14 -1.29 -0.22 0.00 0.00 0.00 0.00 46.02 44.65 2j0i n GLY 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j0i s ALA 402 N -1.09 3.60 0.31 4.61 0.00 -1.26 -0.92 121.76 127.01 2j0i s ALA 402 Ca 0.00 -1.43 0.30 0.00 0.00 0.00 0.00 51.96 50.83 2j0i s ALA 402 Cb 0.00 -1.30 1.42 0.00 0.00 0.00 0.00 23.12 23.24 2j0i s ALA 402 CO 0.00 0.24 2.03 1.25 0.00 0.00 0.00 175.76 179.28 2j0i h LEU 403 N 1.48 0.00 -0.95 0.00 5.85 -0.99 -3.08 115.31 117.61 2j0i h LEU 403 Ca -0.48 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.29 2j0i h LEU 403 Cb 1.24 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 2j0i h LEU 403 CO 0.61 0.10 0.61 0.74 -0.34 0.00 0.00 178.44 180.16 2j0i h THR 404 N 0.00 1.12 -0.62 1.05 2.02 -1.83 -0.70 112.91 113.95 2j0i h THR 404 Ca -0.00 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 2j0i h THR 404 Cb 0.43 -0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 2j0i h THR 404 CO 0.01 0.21 0.31 -0.78 0.37 0.00 0.00 175.52 175.65 2j0i h ASP 405 N 1.15 0.77 -0.00 4.18 3.58 -1.91 -1.76 116.42 122.43 2j0i h ASP 405 Ca 0.40 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.78 2j0i h ASP 405 Cb 0.09 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 40.94 2j0i h ASP 405 CO -0.15 0.64 -0.00 0.40 -2.88 0.00 0.00 179.24 177.26 2j0i h ILE 406 N 0.87 1.36 0.00 2.25 2.04 -1.34 -2.66 117.51 120.03 2j0i h ILE 406 Ca 0.22 -1.06 -0.05 0.00 1.00 0.00 0.00 64.86 64.97 2j0i h ILE 406 Cb 0.06 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 2j0i h ILE 406 CO -0.03 0.27 -0.22 -0.37 0.00 0.00 0.00 178.15 177.80 2j0i h VAL 407 N -0.45 0.80 0.00 1.67 -1.51 -1.00 -0.62 116.25 115.14 2j0i h VAL 407 Ca 0.00 -0.87 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 2j0i h VAL 407 Cb 0.45 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 2j0i h VAL 407 CO 0.00 0.21 -0.49 0.71 -1.23 0.00 0.00 177.57 176.78 2j0i h THR 408 N 0.00 0.00 0.00 7.19 1.35 -1.31 -3.40 112.91 116.74 2j0i h THR 408 Ca -0.00 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 2j0i h THR 408 Cb 0.51 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2j0i h THR 408 CO 0.03 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.71 2j0i n HIS 409 N -2.55 0.00 -4.29 4.73 8.25 -1.00 -5.09 115.22 115.27 2j0i n HIS 409 Ca 0.03 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.33 2j0i n HIS 409 Cb 0.49 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.50 2j0i n HIS 409 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2j0i s THR 410 N -0.73 0.58 -0.35 1.59 -4.23 -0.26 -5.06 115.64 107.17 2j0i s THR 410 Ca 0.00 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 2j0i s THR 410 Cb 0.00 -2.46 0.07 0.00 1.34 0.00 0.00 72.50 71.45 2j0i s THR 410 CO 0.00 -0.16 0.10 -0.60 -0.54 0.00 0.00 174.62 173.42 2j0i s ARG 411 N -4.00 2.35 0.37 3.99 3.00 -1.26 -4.67 118.95 118.72 2j0i s ARG 411 Ca 0.33 -1.43 -0.26 0.00 -1.00 0.00 0.00 55.73 53.37 2j0i s ARG 411 Cb 0.07 -3.40 -0.09 0.00 0.00 0.00 0.00 34.95 31.54 2j0i s ARG 411 CO 0.10 -0.79 1.14 -1.64 0.00 0.00 0.00 175.30 174.12 2j0i s MET 412 N 1.26 4.20 0.63 5.12 1.00 -1.26 -5.05 119.30 125.20 2j0i s MET 412 Ca 0.00 1.80 -0.01 0.00 0.00 0.00 0.00 55.69 57.48 2j0i s MET 412 Cb -0.21 -2.78 0.07 0.00 0.00 0.00 0.00 34.83 31.91 2j0i s MET 412 CO -0.01 -0.18 0.89 0.54 0.00 0.00 0.00 175.02 176.26 2j0i s ASN 413 N -1.12 4.91 0.34 3.03 2.20 -1.26 -4.91 114.94 118.12 2j0i s ASN 413 Ca 0.54 -0.02 0.16 0.00 -0.94 0.00 0.00 52.86 52.60 2j0i s ASN 413 Cb -0.30 -0.67 0.54 0.00 -2.00 0.00 0.00 41.25 38.83 2j0i s ASN 413 CO 0.38 -1.44 1.68 -0.33 -2.94 0.00 0.00 177.10 174.45 2j0i h GLU 414 N -0.24 0.00 -0.85 3.55 5.08 -1.96 -0.58 114.58 119.58 2j0i h GLU 414 Ca -0.41 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.97 2j0i h GLU 414 Cb 1.29 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 2j0i h GLU 414 CO 0.50 0.47 0.56 1.49 -1.00 0.00 0.00 179.01 181.03 2j0i h GLU 415 N 0.00 1.10 -0.13 2.33 4.81 -1.96 0.60 114.58 121.33 2j0i h GLU 415 Ca -0.00 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 2j0i h GLU 415 Cb 0.99 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2j0i h GLU 415 CO 0.06 0.73 -0.33 1.96 -0.73 0.00 0.00 179.01 180.70 2j0i h GLN 416 N 1.13 0.46 -0.45 1.92 4.20 -1.72 -2.03 115.11 118.62 2j0i h GLN 416 Ca 0.32 -0.31 0.01 0.00 0.06 0.00 0.00 58.65 58.73 2j0i h GLN 416 Cb -0.10 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2j0i h GLN 416 CO -0.08 0.93 0.29 0.82 -0.67 0.00 0.00 178.83 180.12 2j0i h ILE 417 N 0.06 1.09 -0.76 2.54 2.04 -0.98 -1.79 117.51 119.71 2j0i h ILE 417 Ca -0.00 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 2j0i h ILE 417 Cb 0.94 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 2j0i h ILE 417 CO 0.07 0.11 0.40 0.00 0.00 0.00 0.00 178.15 178.73 2j0i h ALA 418 N 1.18 1.27 -0.49 1.87 0.00 -0.90 -1.26 119.26 120.93 2j0i h ALA 418 Ca 0.17 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2j0i h ALA 418 Cb -0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2j0i h ALA 418 CO -0.05 0.58 0.30 0.00 0.00 0.00 0.00 179.25 180.08 2j0i h ALA 419 N 1.37 0.62 -0.24 0.00 0.00 -0.87 0.49 119.26 120.63 2j0i h ALA 419 Ca 0.27 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2j0i h ALA 419 Cb 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2j0i h ALA 419 CO -0.04 0.10 0.04 0.28 0.00 0.00 0.00 179.25 179.62 2j0i h VAL 420 N 0.65 1.23 -0.68 0.00 2.07 -0.95 -2.18 116.25 116.40 2j0i h VAL 420 Ca 0.18 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 2j0i h VAL 420 Cb -0.03 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2j0i h VAL 420 CO -0.03 0.24 0.35 0.00 0.02 0.00 0.00 177.57 178.15 2j0i h LEU 422 N 0.93 0.51 -0.31 0.00 5.85 -0.85 0.59 115.31 122.03 2j0i h LEU 422 Ca 0.24 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 2j0i h LEU 422 Cb 0.07 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2j0i h LEU 422 CO -0.03 0.38 0.18 0.00 -0.34 0.00 0.00 178.44 178.63 2j0i h ALA 423 N 1.15 0.40 -0.53 1.25 0.00 -1.08 -1.02 119.26 119.44 2j0i h ALA 423 Ca 0.16 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2j0i h ALA 423 Cb -0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2j0i h ALA 423 CO -0.03 -0.09 -0.07 0.28 0.00 0.00 0.00 179.25 179.35 2j0i h VAL 424 N 0.40 1.27 -0.27 0.00 2.07 -1.04 -2.40 116.25 116.27 2j0i h VAL 424 Ca 0.11 -1.20 -0.10 0.00 0.82 0.00 0.00 66.70 66.33 2j0i h VAL 424 Cb 0.04 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2j0i h VAL 424 CO -0.02 0.42 -0.25 -0.07 0.02 0.00 0.00 177.57 177.68 2j0i h LEU 425 N 0.85 0.53 -0.38 2.57 3.38 -0.76 0.47 115.31 121.97 2j0i h LEU 425 Ca 0.14 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2j0i h LEU 425 Cb 0.62 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2j0i h LEU 425 CO 0.04 0.77 0.24 1.56 0.09 0.00 0.00 178.44 181.15 2j0i h GLN 426 N 0.47 0.48 0.21 1.13 4.20 -1.08 0.04 115.11 120.56 2j0i h GLN 426 Ca 0.07 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2j0i h GLN 426 Cb 0.68 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 2j0i h GLN 426 CO 0.05 0.32 -0.12 0.00 -0.67 0.00 0.00 178.83 178.41 2j0i h ALA 427 N 1.15 -0.30 -0.44 3.87 0.00 -0.99 -3.15 119.26 119.40 2j0i h ALA 427 Ca 0.14 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2j0i h ALA 427 Cb -0.04 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2j0i h ALA 427 CO -0.04 -0.67 0.04 -0.07 0.00 0.00 0.00 179.25 178.50 2j0i h LEU 428 N -0.31 0.65 -0.41 0.00 3.38 -0.81 -1.72 115.31 116.09 2j0i h LEU 428 Ca -0.02 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.83 2j0i h LEU 428 Cb 0.25 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2j0i h LEU 428 CO 0.03 0.69 0.24 0.77 0.09 0.00 0.00 178.44 180.27 2j0i h SER 429 N 0.66 0.39 -0.21 -0.43 4.64 -0.98 0.28 113.55 117.90 2j0i h SER 429 Ca 0.14 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.37 2j0i h SER 429 Cb 0.35 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2j0i h SER 429 CO 0.01 0.28 -0.24 0.58 -0.87 0.00 0.00 176.83 176.58 2j0i h VAL 430 N 0.49 1.33 -0.31 0.95 2.07 -1.48 -2.56 116.25 116.74 2j0i h VAL 430 Ca 0.16 -1.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.26 2j0i h VAL 430 Cb 0.01 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2j0i h VAL 430 CO -0.08 0.44 0.18 -0.07 0.02 0.00 0.00 177.57 178.07 2j0i h LEU 431 N 0.22 0.37 -0.93 2.57 3.38 -1.09 -2.95 115.31 116.89 2j0i h LEU 431 Ca 0.03 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2j0i h LEU 431 Cb 0.81 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2j0i h LEU 431 CO 0.06 0.32 -0.06 0.45 0.09 0.00 0.00 178.44 179.30 2j0i h HIS 432 N 0.39 0.78 0.00 1.13 3.86 -0.49 0.19 115.15 121.01 2j0i h HIS 432 Ca 0.11 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 2j0i h HIS 432 Cb 0.02 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.28 2j0i h HIS 432 CO -0.04 0.76 -0.06 0.00 0.86 0.00 0.00 177.93 179.45 2j0i h ALA 433 N 1.27 1.54 -0.37 2.45 0.00 -1.34 -1.04 119.26 121.78 2j0i h ALA 433 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2j0i h ALA 433 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2j0i h ALA 433 CO 0.03 0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.39 2j0i n GLN 434 N -3.94 2.21 -1.05 0.00 6.02 -0.74 -4.95 117.38 114.93 2j0i n GLN 434 Ca -0.03 -1.84 -0.02 0.00 -0.01 0.00 0.00 57.00 55.10 2j0i n GLN 434 Cb 0.15 -1.45 -0.01 0.00 1.02 0.00 0.00 30.24 29.94 2j0i n GLN 434 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2j0i n GLY 435 N 1.36 0.53 3.69 1.08 0.00 -0.39 -4.85 105.19 106.61 2j0i n GLY 435 Ca 0.18 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 2j0i n GLY 435 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j0i s VAL 436 N -2.02 5.18 -0.17 1.61 1.01 -0.02 -0.84 120.40 125.14 2j0i s VAL 436 Ca 0.00 0.86 -0.04 0.00 0.00 0.00 0.00 61.98 62.80 2j0i s VAL 436 Cb 0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2j0i s VAL 436 CO 0.00 0.27 -0.03 -0.63 0.00 0.00 0.00 175.10 174.71 2j0i s ILE 437 N 1.07 3.88 -0.06 2.22 1.01 -0.36 -3.62 121.20 125.34 2j0i s ILE 437 Ca 0.23 -0.35 -0.27 0.00 0.00 0.00 0.00 60.65 60.26 2j0i s ILE 437 Cb -0.15 -2.72 -0.22 0.00 0.01 0.00 0.00 42.46 39.38 2j0i s ILE 437 CO 0.09 0.47 1.08 -0.74 0.00 0.00 0.00 174.94 175.84 2j0i h HIS 438 N 7.01 0.04 0.00 3.97 -0.00 -1.91 -0.40 115.15 123.86 2j0i h HIS 438 Ca -0.33 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.02 2j0i h HIS 438 Cb 1.19 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 2j0i h HIS 438 CO 0.55 0.71 0.00 0.54 -0.00 0.00 0.00 177.93 179.73 2j0i n ARG 439 N -4.73 -0.24 -2.74 5.26 1.74 -1.26 -2.89 116.66 111.80 2j0i n ARG 439 Ca -0.09 0.06 -0.05 0.00 -0.77 0.00 0.00 57.85 57.00 2j0i n ARG 439 Cb 0.36 -3.52 0.04 0.00 -1.02 0.00 0.00 32.46 28.32 2j0i n ARG 439 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2j0i n ASP 440 N -0.12 1.30 -4.68 0.55 2.03 -1.26 -4.13 116.55 110.24 2j0i n ASP 440 Ca 0.00 -2.38 -0.42 0.00 0.52 0.00 0.00 54.79 52.51 2j0i n ASP 440 Cb 0.06 -0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 40.01 2j0i n ASP 440 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2j0i s ILE 441 N -3.22 3.93 0.03 5.18 -1.09 -1.26 -4.70 121.20 120.07 2j0i s ILE 441 Ca 0.26 1.24 -0.29 0.00 -2.23 0.00 0.00 60.65 59.64 2j0i s ILE 441 Cb 0.40 -3.80 0.10 0.00 -1.58 0.00 0.00 42.46 37.58 2j0i s ILE 441 CO -0.00 -0.04 1.18 -1.59 -1.23 0.00 0.00 174.94 173.25 2j0i s LYS 442 N 2.78 0.66 0.46 2.79 -2.85 -1.26 -4.67 119.74 117.65 2j0i s LYS 442 Ca 0.61 -0.36 0.14 0.00 -1.00 0.00 0.00 55.97 55.37 2j0i s LYS 442 Cb -0.28 0.23 1.09 0.00 -2.06 0.00 0.00 37.83 36.81 2j0i s LYS 442 CO 0.23 -0.30 2.05 0.66 0.10 0.00 0.00 175.35 178.09 2j0i h SER 443 N 2.00 0.25 0.18 0.03 4.64 -1.92 -1.22 113.55 117.52 2j0i h SER 443 Ca -0.28 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 2j0i h SER 443 Cb 1.21 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2j0i h SER 443 CO 0.27 0.17 -0.08 0.44 -0.87 0.00 0.00 176.83 176.76 2j0i h ASP 444 N 0.29 0.00 0.18 4.97 3.45 -1.94 -2.39 116.42 120.99 2j0i h ASP 444 Ca 0.17 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.63 2j0i h ASP 444 Cb 0.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.07 2j0i h ASP 444 CO -0.04 0.08 -0.11 -1.20 -1.57 0.00 0.00 179.24 176.41 2j0i n SER 445 N -3.89 0.87 -4.45 6.45 7.64 -0.46 -4.79 113.62 114.99 2j0i n SER 445 Ca -0.02 -0.97 -0.37 0.00 1.01 0.00 0.00 58.87 58.52 2j0i n SER 445 Cb 0.18 0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.27 2j0i n SER 445 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2j0i s ILE 446 N -2.30 4.40 0.24 0.44 -1.09 -0.90 -0.04 121.20 121.96 2j0i s ILE 446 Ca 0.32 -0.21 0.09 0.00 -2.23 0.00 0.00 60.65 58.63 2j0i s ILE 446 Cb 0.20 -3.10 -0.04 0.00 -1.58 0.00 0.00 42.46 37.94 2j0i s ILE 446 CO 0.44 0.28 -0.02 -0.76 -1.23 0.00 0.00 174.94 173.65 2j0i s LEU 447 N 1.62 3.16 0.06 2.97 1.43 -0.03 -0.94 118.68 126.95 2j0i s LEU 447 Ca 0.06 -0.62 0.06 0.00 -1.03 0.00 0.00 54.13 52.60 2j0i s LEU 447 Cb -0.16 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2j0i s LEU 447 CO 0.04 0.03 -0.16 -0.76 0.23 0.00 0.00 176.35 175.73 2j0i s LEU 448 N -3.48 2.23 0.56 1.79 1.43 -0.10 -0.80 118.68 120.32 2j0i s LEU 448 Ca 0.30 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 2j0i s LEU 448 Cb -0.07 -0.68 0.01 0.00 0.03 0.00 0.00 46.19 45.49 2j0i s LEU 448 CO 0.19 0.02 0.84 0.42 0.23 0.00 0.00 176.35 178.04 2j0i s THR 449 N -1.05 3.54 0.57 5.49 -4.23 -0.47 -0.37 115.64 119.12 2j0i s THR 449 Ca 0.02 -0.22 0.25 0.00 -1.18 0.00 0.00 61.69 60.57 2j0i s THR 449 Cb -0.09 -3.38 0.33 0.00 1.34 0.00 0.00 72.50 70.70 2j0i s THR 449 CO 0.02 -0.35 2.19 1.12 -0.54 0.00 0.00 174.62 177.07 2j0i h HIS 450 N -0.04 0.00 -0.64 3.99 2.07 -1.91 -1.02 115.15 117.60 2j0i h HIS 450 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 2j0i h HIS 450 Cb 1.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.24 2j0i h HIS 450 CO 0.45 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 174.91 2j0i n ASP 451 N -4.07 4.30 0.00 3.10 5.75 -1.26 -4.88 116.55 119.49 2j0i n ASP 451 Ca -0.02 -2.30 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 2j0i n ASP 451 Cb 0.14 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 2j0i n ASP 451 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2j0i n GLY 452 N 1.26 0.72 3.78 6.12 0.00 -0.39 -3.77 105.19 112.91 2j0i n GLY 452 Ca 0.24 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2j0i n GLY 452 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j0i s ARG 453 N -0.71 4.48 -0.14 1.61 0.52 -1.26 -4.54 118.95 118.91 2j0i s ARG 453 Ca 0.00 1.38 -0.02 0.00 -0.52 0.00 0.00 55.73 56.58 2j0i s ARG 453 Cb 0.00 -2.74 -0.02 0.00 0.52 0.00 0.00 34.95 32.71 2j0i s ARG 453 CO 0.00 0.17 -0.09 0.08 0.02 0.00 0.00 175.30 175.49 2j0i s VAL 454 N -1.63 3.46 -0.01 3.52 1.01 -1.26 -1.36 120.40 124.13 2j0i s VAL 454 Ca 0.52 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.00 2j0i s VAL 454 Cb -0.20 -2.48 -0.00 0.00 0.00 0.00 0.00 36.38 33.70 2j0i s VAL 454 CO 0.25 0.51 -0.05 -0.54 0.00 0.00 0.00 175.10 175.27 2j0i s LYS 455 N 0.29 0.46 0.05 2.72 1.02 0.02 -4.57 119.74 119.73 2j0i s LYS 455 Ca -0.07 -0.19 -0.29 0.00 0.02 0.00 0.00 55.97 55.45 2j0i s LYS 455 Cb -0.15 -0.46 -0.05 0.00 -0.52 0.00 0.00 37.83 36.66 2j0i s LYS 455 CO 0.04 0.10 0.92 -1.17 -0.92 0.00 0.00 175.35 174.33 2j0i s LEU 456 N -0.05 4.44 0.00 3.17 2.96 0.46 -0.86 118.68 128.80 2j0i s LEU 456 Ca 0.01 1.66 0.00 0.00 -0.22 0.00 0.00 54.13 55.58 2j0i s LEU 456 Cb -0.03 -3.49 0.00 0.00 0.50 0.00 0.00 46.19 43.16 2j0i s LEU 456 CO -0.00 -0.12 0.00 -0.24 -1.32 0.00 0.00 176.35 174.67 2j0i n SER 457 N 3.21 0.56 -3.31 3.68 2.88 0.95 -1.11 113.62 120.49 2j0i n SER 457 Ca 0.03 -0.57 -0.17 0.00 -1.33 0.00 0.00 58.87 56.82 2j0i n SER 457 Cb 0.50 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.02 2j0i n SER 457 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2j0i n ASP 458 N -1.40 -6.53 -0.75 -3.46 8.00 -1.26 -4.80 116.55 106.35 2j0i n ASP 458 Ca 0.00 -0.72 0.04 0.00 0.71 0.00 0.00 54.79 54.82 2j0i n ASP 458 Cb 0.00 -4.93 0.15 0.00 -0.02 0.00 0.00 41.12 36.32 2j0i n ASP 458 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2j0i n PHE 459 N -3.28 0.57 0.30 1.24 3.72 -1.26 -4.50 117.46 114.25 2j0i n PHE 459 Ca -0.07 -0.24 0.17 0.00 -0.05 0.00 0.00 57.45 57.26 2j0i n PHE 459 Cb 0.61 -0.09 0.92 0.00 -0.94 0.00 0.00 39.48 39.98 2j0i n PHE 459 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2j0i h GLY 460 N 5.08 0.00 -2.49 1.37 0.00 -1.91 -1.07 103.07 104.05 2j0i h GLY 460 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2j0i h GLY 460 CO 0.07 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.30 2j0i n PHE 461 N -3.52 0.82 -1.05 5.60 3.72 -1.26 -4.64 117.46 117.13 2j0i n PHE 461 Ca -0.02 -0.41 -0.31 0.00 -0.05 0.00 0.00 57.45 56.66 2j0i n PHE 461 Cb 0.14 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 38.82 2j0i n PHE 461 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2j0i s ALA 463 N -2.81 0.53 -0.15 0.00 0.00 -0.16 -4.76 121.76 114.41 2j0i s ALA 463 Ca 0.64 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.48 2j0i s ALA 463 Cb -0.19 0.22 -0.00 0.00 0.00 0.00 0.00 23.12 23.15 2j0i s ALA 463 CO 0.57 -0.30 -0.15 -1.14 0.00 0.00 0.00 175.76 174.74 2j0i s GLN 464 N -3.43 3.21 0.29 0.00 2.00 -1.26 -1.23 119.66 119.24 2j0i s GLN 464 Ca 0.04 -0.75 0.09 0.00 -2.00 0.00 0.00 55.36 52.73 2j0i s GLN 464 Cb 0.04 -2.62 -0.04 0.00 0.80 0.00 0.00 33.01 31.19 2j0i s GLN 464 CO -0.07 0.02 0.10 0.14 -0.50 0.00 0.00 175.29 174.97 2j0i s VAL 465 N 0.81 3.54 0.25 1.34 -7.23 -0.02 -5.02 120.40 114.07 2j0i s VAL 465 Ca -0.05 -1.72 -0.03 0.00 -1.81 0.00 0.00 61.98 58.37 2j0i s VAL 465 Cb -0.15 -3.02 -0.02 0.00 0.56 0.00 0.00 36.38 33.74 2j0i s VAL 465 CO -0.00 -0.30 0.28 -0.94 -0.31 0.00 0.00 175.10 173.83 2j0i s SER 466 N -3.78 0.42 0.32 4.85 1.04 -0.34 -4.59 113.70 111.63 2j0i s SER 466 Ca 0.34 -1.35 0.01 0.00 0.48 0.00 0.00 55.95 55.43 2j0i s SER 466 Cb -0.06 0.49 0.55 0.00 0.10 0.00 0.00 66.02 67.11 2j0i s SER 466 CO 0.22 -1.01 1.95 0.11 0.98 0.00 0.00 173.24 175.49 2j0i h LYS 467 N 2.39 0.96 0.04 4.02 6.56 -2.01 -1.22 116.57 127.31 2j0i h LYS 467 Ca -0.31 -0.06 -0.23 0.00 -1.06 0.00 0.00 60.65 58.99 2j0i h LYS 467 Cb 1.25 -0.22 -0.00 0.00 -0.57 0.00 0.00 32.23 32.69 2j0i h LYS 467 CO 0.45 0.64 -1.02 0.93 -2.06 0.00 0.00 179.45 178.38 2j0i h GLU 468 N 0.99 0.31 -2.75 3.15 3.07 -2.04 -3.38 114.58 113.94 2j0i h GLU 468 Ca 0.34 -0.39 -0.61 0.00 -0.50 0.00 0.00 59.36 58.20 2j0i h GLU 468 Cb 0.09 0.12 -0.40 0.00 -0.84 0.00 0.00 28.75 27.72 2j0i h GLU 468 CO -0.11 1.11 -0.75 0.28 -1.40 0.00 0.00 179.01 178.14 2j0i n VAL 469 N -3.66 0.41 0.66 3.13 0.31 -1.03 -4.99 118.33 113.16 2j0i n VAL 469 Ca -0.06 -4.25 0.12 0.00 -0.01 0.00 0.00 64.34 60.13 2j0i n VAL 469 Cb 0.89 -1.95 0.46 0.00 -0.91 0.00 0.00 33.84 32.33 2j0i n VAL 469 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2j0i n PRO 470 N 2.30 0.10 -4.18 5.55 -0.02 -0.49 -1.19 135.00 137.07 2j0i n PRO 470 Ca 0.24 0.20 -0.13 0.00 -2.02 0.00 0.00 63.50 61.80 2j0i n PRO 470 Cb 0.41 -1.65 -0.10 0.00 -0.02 0.00 0.00 33.50 32.13 2j0i n PRO 470 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2j0i s ARG 471 N -3.09 0.87 0.31 -0.52 3.00 -1.26 -4.70 118.95 113.55 2j0i s ARG 471 Ca 0.09 -1.27 0.08 0.00 0.00 0.00 0.00 55.73 54.63 2j0i s ARG 471 Cb 0.13 -0.39 -0.04 0.00 0.00 0.00 0.00 34.95 34.65 2j0i s ARG 471 CO 0.45 0.03 0.11 1.03 0.00 0.00 0.00 175.30 176.93 2j0i s ARG 472 N -3.38 2.43 -0.53 3.54 1.81 -0.45 -4.88 118.95 117.49 2j0i s ARG 472 Ca 0.10 -1.44 0.04 0.00 -1.72 0.00 0.00 55.73 52.70 2j0i s ARG 472 Cb 0.01 -2.23 0.15 0.00 -0.45 0.00 0.00 34.95 32.43 2j0i s ARG 472 CO -0.02 0.22 0.33 -1.59 -0.68 0.00 0.00 175.30 173.55 2j0i s LYS 473 N -3.80 1.77 -0.42 3.54 0.00 -1.26 -1.71 119.74 117.85 2j0i s LYS 473 Ca 0.35 -2.57 0.02 0.00 0.00 0.00 0.00 55.97 53.78 2j0i s LYS 473 Cb -0.04 -2.81 0.12 0.00 0.00 0.00 0.00 37.83 35.10 2j0i s LYS 473 CO 0.22 -1.21 0.19 -1.17 0.00 0.00 0.00 175.35 173.38 2j0i s LEU 475 N -0.37 3.22 -0.05 2.77 2.96 -1.26 -4.93 118.68 121.01 2j0i s LEU 475 Ca 0.21 -2.44 0.03 0.00 -0.22 0.00 0.00 54.13 51.71 2j0i s LEU 475 Cb -0.16 -1.21 0.01 0.00 0.50 0.00 0.00 46.19 45.33 2j0i s LEU 475 CO -0.07 -0.31 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.84 2j0i s VAL 476 N 0.56 1.11 -5.00 1.68 1.01 -1.26 -5.11 120.40 113.39 2j0i s VAL 476 Ca 0.15 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2j0i s VAL 476 Cb -0.23 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.15 2j0i s VAL 476 CO -0.06 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.00 2j0i n GLY 477 N 3.63 0.13 3.27 4.51 0.00 -1.26 -4.93 105.19 110.54 2j0i n GLY 477 Ca -0.21 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 2j0i n GLY 477 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j0i s THR 478 N -2.80 2.89 0.17 2.61 2.01 -1.26 -5.05 115.64 114.20 2j0i s THR 478 Ca 0.00 -0.67 -0.17 0.00 0.31 0.00 0.00 61.69 61.15 2j0i s THR 478 Cb 0.00 -2.26 0.11 0.00 0.01 0.00 0.00 72.50 70.36 2j0i s THR 478 CO 0.00 0.48 1.24 -2.65 -0.69 0.00 0.00 174.62 173.00 2j0i n PRO 479 N 4.39 -0.24 0.26 4.92 -0.02 -1.26 -0.81 135.00 142.24 2j0i n PRO 479 Ca -0.19 1.22 0.14 0.00 -2.02 0.00 0.00 63.50 62.65 2j0i n PRO 479 Cb 0.51 -1.81 0.65 0.00 -0.02 0.00 0.00 33.50 32.84 2j0i n PRO 479 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 2j0i h TYR 480 N 0.00 0.00 -0.03 6.00 0.05 -1.91 -2.75 116.97 118.33 2j0i h TYR 480 Ca 0.23 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.01 2j0i h TYR 480 Cb 0.43 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.17 2j0i h TYR 480 CO -0.74 0.12 -0.04 0.91 -1.05 0.00 0.00 178.16 177.37 2j0i n TRP 481 N -3.37 0.00 -2.57 4.88 8.01 0.01 -4.79 117.44 119.62 2j0i n TRP 481 Ca -0.01 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.80 2j0i n TRP 481 Cb 0.32 -0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.57 2j0i n TRP 481 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2j0i s MET 482 N -2.04 4.52 0.50 -0.99 -1.94 -1.04 -3.95 119.30 114.36 2j0i s MET 482 Ca 0.27 1.61 -0.21 0.00 -1.71 0.00 0.00 55.69 55.66 2j0i s MET 482 Cb 0.20 -2.95 -0.07 0.00 2.01 0.00 0.00 34.83 34.02 2j0i s MET 482 CO 0.32 0.15 1.13 0.00 -0.01 0.00 0.00 175.02 176.62 2j0i s ALA 483 N -1.37 2.83 0.25 3.03 0.00 -1.26 -4.90 121.76 120.33 2j0i s ALA 483 Ca 0.49 0.84 -0.05 0.00 0.00 0.00 0.00 51.96 53.24 2j0i s ALA 483 Cb -0.26 -3.36 0.27 0.00 0.00 0.00 0.00 23.12 19.77 2j0i s ALA 483 CO 0.34 -0.67 1.83 -1.00 0.00 0.00 0.00 175.76 176.26 2j0i h PRO 484 N 1.60 1.10 0.00 0.00 0.13 -1.89 -1.43 132.00 131.51 2j0i h PRO 484 Ca -0.50 -0.17 -0.09 0.00 -0.87 0.00 0.00 66.00 64.37 2j0i h PRO 484 Cb 1.25 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2j0i h PRO 484 CO 0.58 0.87 -0.44 1.05 -0.23 0.00 0.00 178.00 179.83 2j0i h GLU 485 N 1.08 0.00 -0.17 0.86 9.09 -1.93 0.13 114.58 123.64 2j0i h GLU 485 Ca 0.26 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.62 2j0i h GLU 485 Cb 0.16 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.26 2j0i h GLU 485 CO -0.03 0.44 -0.07 1.25 0.05 0.00 0.00 179.01 180.65 2j0i h LEU 486 N 0.00 0.36 -1.71 3.06 5.85 -1.77 -1.53 115.31 119.58 2j0i h LEU 486 Ca -0.00 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 2j0i h LEU 486 Cb 0.92 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2j0i h LEU 486 CO 0.06 0.69 -0.09 0.40 -0.34 0.00 0.00 178.44 179.15 2j0i h ILE 487 N 0.04 1.10 -0.27 4.05 2.04 -0.88 -2.53 117.51 121.05 2j0i h ILE 487 Ca 0.04 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2j0i h ILE 487 Cb 0.55 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 2j0i h ILE 487 CO 0.02 0.13 0.00 -1.20 0.00 0.00 0.00 178.15 177.10 2j0i n SER 488 N -4.39 2.18 -1.86 1.72 7.64 0.42 -4.95 113.62 114.38 2j0i n SER 488 Ca -0.02 -1.84 -0.19 0.00 1.01 0.00 0.00 58.87 57.84 2j0i n SER 488 Cb 0.19 -0.18 -0.04 0.00 -1.01 0.00 0.00 64.21 63.18 2j0i n SER 488 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2j0i n ARG 489 N 0.66 -1.42 -2.24 1.43 5.12 -0.84 -4.98 116.66 114.40 2j0i n ARG 489 Ca 0.16 1.00 -0.42 0.00 -1.93 0.00 0.00 57.85 56.66 2j0i n ARG 489 Cb 0.39 -5.45 -0.03 0.00 -1.16 0.00 0.00 32.46 26.22 2j0i n ARG 489 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2j0i s LEU 490 N -4.93 4.31 -0.43 0.55 1.02 -0.64 -4.93 118.68 113.63 2j0i s LEU 490 Ca 0.00 2.08 -0.40 0.00 0.02 0.00 0.00 54.13 55.83 2j0i s LEU 490 Cb 0.00 -3.56 -0.17 0.00 0.02 0.00 0.00 46.19 42.48 2j0i s LEU 490 CO 0.00 -0.71 1.58 -2.65 0.02 0.00 0.00 176.35 174.59 2j0i n PRO 491 N 5.41 0.00 -4.31 1.29 -0.02 -1.26 -4.63 135.00 131.48 2j0i n PRO 491 Ca 0.13 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.37 2j0i n PRO 491 Cb 0.44 -1.30 -0.08 0.00 -0.02 0.00 0.00 33.50 32.54 2j0i n PRO 491 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2j0i s TYR 492 N 3.68 2.66 0.00 6.00 1.13 -0.69 -4.88 117.35 125.25 2j0i s TYR 492 Ca 0.97 -0.23 0.00 0.00 -1.41 0.00 0.00 57.07 56.40 2j0i s TYR 492 Cb -1.30 -1.20 0.00 0.00 -1.10 0.00 0.00 41.96 38.36 2j0i s TYR 492 CO 0.65 0.61 0.00 0.41 -2.51 0.00 0.00 175.55 174.71 2j0i n GLY 493 N -0.71 7.18 0.38 5.49 0.00 -1.26 -1.34 105.19 114.92 2j0i n GLY 493 Ca -0.07 -1.87 0.19 0.00 0.00 0.00 0.00 46.02 44.26 2j0i n GLY 493 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2j0i h PRO 494 N 0.00 0.00 -0.25 1.61 0.11 -1.93 -3.01 132.00 128.53 2j0i h PRO 494 Ca 0.00 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.18 2j0i h PRO 494 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2j0i h PRO 494 CO 0.00 0.00 0.24 0.93 -0.21 0.00 0.00 178.00 178.96 2j0i h GLU 495 N 0.00 0.00 -0.29 1.05 3.07 -1.95 -1.65 114.58 114.82 2j0i h GLU 495 Ca 0.15 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 2j0i h GLU 495 Cb 1.14 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.04 2j0i h GLU 495 CO -0.00 0.00 0.11 -0.39 -1.40 0.00 0.00 179.01 177.33 2j0i h VAL 496 N 0.00 1.12 -0.22 3.13 -1.51 -1.94 -1.52 116.25 115.31 2j0i h VAL 496 Ca 0.12 -0.36 -0.06 0.00 -1.23 0.00 0.00 66.70 65.17 2j0i h VAL 496 Cb 0.60 0.78 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 2j0i h VAL 496 CO -0.00 0.14 -0.11 0.44 -1.23 0.00 0.00 177.57 176.81 2j0i h ASP 497 N 0.40 0.33 -0.28 4.19 3.32 -1.56 -2.17 116.42 120.65 2j0i h ASP 497 Ca 0.10 -0.07 -0.17 0.00 0.02 0.00 0.00 57.03 56.91 2j0i h ASP 497 Cb 0.09 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2j0i h ASP 497 CO -0.01 0.48 -0.48 0.40 -1.72 0.00 0.00 179.24 177.90 2j0i h ILE 498 N 0.33 1.29 0.20 0.35 1.08 -1.40 -0.71 117.51 118.64 2j0i h ILE 498 Ca 0.07 -1.67 -0.01 0.00 -0.39 0.00 0.00 64.86 62.86 2j0i h ILE 498 Cb 0.40 1.66 -0.00 0.00 -3.07 0.00 0.00 36.82 35.80 2j0i h ILE 498 CO 0.02 0.54 -0.12 -0.25 -0.69 0.00 0.00 178.15 177.65 2j0i h TRP 499 N 0.58 -0.31 -0.93 1.37 2.91 -1.39 -2.27 115.95 115.92 2j0i h TRP 499 Ca 0.02 -0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.14 2j0i h TRP 499 Cb 1.09 0.11 -0.07 0.00 -0.51 0.00 0.00 29.16 29.78 2j0i h TRP 499 CO 0.08 -0.19 0.60 0.77 -1.03 0.00 0.00 178.44 178.66 2j0i h SER 500 N -0.31 0.83 -0.91 2.65 0.02 -1.31 0.17 113.55 114.69 2j0i h SER 500 Ca -0.02 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2j0i h SER 500 Cb 0.26 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 2j0i h SER 500 CO 0.02 0.46 0.52 0.25 -1.14 0.00 0.00 176.83 176.94 2j0i h LEU 501 N 0.90 1.12 -0.87 5.07 5.85 -0.91 -0.95 115.31 125.52 2j0i h LEU 501 Ca 0.45 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 59.12 2j0i h LEU 501 Cb 0.47 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 2j0i h LEU 501 CO -0.21 0.88 0.56 1.23 -0.34 0.00 0.00 178.44 180.56 2j0i h GLY 502 N 1.27 1.26 1.49 3.75 0.00 -0.39 -0.05 103.07 110.39 2j0i h GLY 502 Ca 0.32 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 2j0i h GLY 502 CO -0.06 0.36 -0.15 -2.22 0.00 0.00 0.00 176.54 174.47 2j0i h ILE 503 N 1.08 1.25 -0.22 2.60 1.08 -0.76 -1.68 117.51 120.86 2j0i h ILE 503 Ca 0.35 -1.15 -0.07 0.00 -0.39 0.00 0.00 64.86 63.60 2j0i h ILE 503 Cb 0.01 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 2j0i h ILE 503 CO -0.12 0.38 -0.18 -0.03 -0.69 0.00 0.00 178.15 177.51 2j0i h MET 504 N 0.55 0.38 -0.68 2.37 4.05 -0.34 -0.93 114.93 120.33 2j0i h MET 504 Ca 0.09 -0.12 -0.05 0.00 -0.28 0.00 0.00 59.70 59.35 2j0i h MET 504 Cb 0.58 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.31 2j0i h MET 504 CO 0.04 0.55 0.24 0.28 0.23 0.00 0.00 176.91 178.25 2j0i h VAL 505 N 0.35 1.25 -0.73 -5.77 2.07 -0.40 -0.90 116.25 112.12 2j0i h VAL 505 Ca 0.06 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.81 2j0i h VAL 505 Cb 0.52 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 2j0i h VAL 505 CO 0.03 0.32 0.43 0.40 0.02 0.00 0.00 177.57 178.78 2j0i h ILE 506 N 0.98 1.03 -0.62 4.57 2.04 -0.81 -0.87 117.51 123.83 2j0i h ILE 506 Ca 0.22 -0.28 0.08 0.00 1.00 0.00 0.00 64.86 65.89 2j0i h ILE 506 Cb 0.26 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.42 2j0i h ILE 506 CO -0.01 0.15 0.27 -0.33 0.00 0.00 0.00 178.15 178.23 2j0i h GLU 507 N 0.81 0.47 0.00 2.37 5.08 -0.50 0.37 114.58 123.18 2j0i h GLU 507 Ca 0.31 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 2j0i h GLU 507 Cb 0.13 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2j0i h GLU 507 CO -0.15 0.31 -0.33 0.52 -1.00 0.00 0.00 179.01 178.36 2j0i h MET 508 N 0.49 0.00 0.04 2.33 2.86 -0.40 0.21 114.93 120.46 2j0i h MET 508 Ca 0.31 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.66 2j0i h MET 508 Cb 0.33 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 2j0i h MET 508 CO -0.27 0.33 -1.59 0.28 1.06 0.00 0.00 176.91 176.72 2j0i n VAL 509 N -3.65 1.62 -0.04 -2.22 0.31 -0.40 -4.42 118.33 109.53 2j0i n VAL 509 Ca -0.01 -0.27 -0.01 0.00 -0.01 0.00 0.00 64.34 64.04 2j0i n VAL 509 Cb 0.44 -1.92 -0.14 0.00 -0.91 0.00 0.00 33.84 31.31 2j0i n VAL 509 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2j0i n ASP 510 N -4.08 0.24 0.00 4.52 8.00 0.13 -4.86 116.55 120.50 2j0i n ASP 510 Ca -0.33 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.27 2j0i n ASP 510 Cb 0.82 1.07 0.00 0.00 -0.02 0.00 0.00 41.12 42.99 2j0i n ASP 510 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j0i n GLY 511 N 1.51 2.01 3.38 0.44 0.00 0.73 -5.02 105.19 108.23 2j0i n GLY 511 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 2j0i n GLY 511 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2j0i s GLU 512 N -0.85 1.13 0.84 1.61 -1.05 -1.25 -4.64 118.70 114.49 2j0i s GLU 512 Ca 0.00 -0.46 -0.12 0.00 -0.15 0.00 0.00 54.97 54.24 2j0i s GLU 512 Cb 0.00 0.51 0.09 0.00 -0.44 0.00 0.00 34.13 34.29 2j0i s GLU 512 CO 0.00 -0.45 1.12 -1.25 0.95 0.00 0.00 175.26 175.63 2j0i s PRO 513 N -3.31 1.77 0.53 -4.83 0.04 -1.26 -4.06 135.00 123.87 2j0i s PRO 513 Ca -0.01 0.45 -0.22 0.00 0.04 0.00 0.00 61.00 61.26 2j0i s PRO 513 Cb 0.00 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 2j0i s PRO 513 CO -0.09 -1.80 1.35 -2.30 0.04 0.00 0.00 177.00 174.20 2j0i n PRO 514 N -3.52 1.76 -1.94 0.56 -0.02 -1.26 -3.22 135.00 127.36 2j0i n PRO 514 Ca 0.07 0.64 -0.19 0.00 -2.02 0.00 0.00 63.50 62.00 2j0i n PRO 514 Cb 0.58 -2.56 -0.05 0.00 -0.02 0.00 0.00 33.50 31.45 2j0i n PRO 514 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2j0i n TYR 515 N -0.89 -0.43 0.27 6.00 4.01 -1.26 -4.88 117.16 119.98 2j0i n TYR 515 Ca 0.10 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.99 2j0i n TYR 515 Cb 0.44 -3.48 0.71 0.00 -0.31 0.00 0.00 39.34 36.69 2j0i n TYR 515 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 2j0i h PHE 516 N 0.00 0.00 0.00 -0.72 3.57 -1.94 -1.50 116.94 116.35 2j0i h PHE 516 Ca -0.42 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2j0i h PHE 516 Cb 1.29 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2j0i h PHE 516 CO 0.53 0.08 -0.21 0.27 -2.23 0.00 0.00 178.31 176.75 2j0i n ASN 517 N -3.29 0.40 -4.88 0.41 6.94 -1.26 -4.88 115.26 108.70 2j0i n ASN 517 Ca -0.01 0.29 -0.30 0.00 -0.02 0.00 0.00 54.58 54.54 2j0i n ASN 517 Cb 0.29 -0.29 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 2j0i n ASN 517 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2j0i s GLU 518 N -3.05 3.77 0.52 -3.83 0.41 -0.57 -5.06 118.70 110.90 2j0i s GLU 518 Ca 0.11 0.47 -0.23 0.00 -0.41 0.00 0.00 54.97 54.91 2j0i s GLU 518 Cb 0.16 -2.39 -0.06 0.00 -1.78 0.00 0.00 34.13 30.06 2j0i s GLU 518 CO 0.61 -0.04 1.31 -2.30 -0.49 0.00 0.00 175.26 174.35 2j0i n PRO 519 N -1.32 1.72 -0.14 0.39 -0.02 -1.26 -4.72 135.00 129.64 2j0i n PRO 519 Ca 0.02 0.63 -0.03 0.00 -2.02 0.00 0.00 63.50 62.10 2j0i n PRO 519 Cb 0.54 -2.50 0.04 0.00 -0.02 0.00 0.00 33.50 31.56 2j0i n PRO 519 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2j0i h PRO 520 N 1.56 0.04 -0.58 0.52 0.13 -1.96 0.31 132.00 132.03 2j0i h PRO 520 Ca -0.50 -0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.66 2j0i h PRO 520 Cb 1.30 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 2j0i h PRO 520 CO 0.57 0.03 0.34 -0.07 -0.23 0.00 0.00 178.00 178.64 2j0i h LEU 521 N 0.04 0.53 0.02 1.56 3.38 -1.99 0.22 115.31 119.07 2j0i h LEU 521 Ca 0.23 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 2j0i h LEU 521 Cb 0.35 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2j0i h LEU 521 CO -0.44 0.36 -0.01 0.11 0.09 0.00 0.00 178.44 178.55 2j0i h LYS 522 N 0.65 -0.03 -0.75 1.13 1.57 -1.66 -2.06 116.57 115.42 2j0i h LYS 522 Ca 0.24 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.11 2j0i h LYS 522 Cb 0.07 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.32 2j0i h LYS 522 CO -0.13 0.04 0.40 0.00 -0.57 0.00 0.00 179.45 179.19 2j0i h ALA 523 N 0.89 1.04 -0.46 3.86 0.00 0.01 -1.60 119.26 123.01 2j0i h ALA 523 Ca -0.00 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2j0i h ALA 523 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2j0i h ALA 523 CO 0.00 0.02 -0.03 0.52 0.00 0.00 0.00 179.25 179.76 2j0i h MET 524 N 0.68 0.77 -0.44 0.00 2.07 -0.37 0.26 114.93 117.91 2j0i h MET 524 Ca 0.36 -0.22 -0.02 0.00 -2.07 0.00 0.00 59.70 57.75 2j0i h MET 524 Cb 0.34 -0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 29.97 2j0i h MET 524 CO -0.25 0.80 0.21 0.87 1.07 0.00 0.00 176.91 179.61 2j0i h LYS 525 N 0.72 0.64 -0.81 1.72 1.57 -0.90 -0.22 116.57 119.29 2j0i h LYS 525 Ca 0.14 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2j0i h LYS 525 Cb 0.48 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 2j0i h LYS 525 CO 0.02 0.55 0.36 0.52 -0.57 0.00 0.00 179.45 180.33 2j0i h MET 526 N 0.57 1.19 -0.74 3.15 2.86 -0.85 0.95 114.93 122.06 2j0i h MET 526 Ca 0.15 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 2j0i h MET 526 Cb 0.12 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 2j0i h MET 526 CO -0.02 0.94 0.26 0.82 1.06 0.00 0.00 176.91 179.97 2j0i h ILE 527 N 1.17 1.26 -0.52 -1.22 2.04 -0.79 -0.98 117.51 118.46 2j0i h ILE 527 Ca 0.27 -0.86 -0.11 0.00 1.00 0.00 0.00 64.86 65.16 2j0i h ILE 527 Cb 0.17 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 2j0i h ILE 527 CO -0.03 0.34 -0.12 -0.09 0.00 0.00 0.00 178.15 178.25 2j0i h ARG 528 N 1.08 0.98 0.02 2.37 2.43 -0.44 -3.37 114.38 117.45 2j0i h ARG 528 Ca 0.24 -0.37 -0.36 0.00 -0.81 0.00 0.00 59.98 58.68 2j0i h ARG 528 Cb 0.27 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.70 2j0i h ARG 528 CO -0.01 1.04 -2.24 -0.25 -1.51 0.00 0.00 179.97 176.99 2j0i n ASP 529 N -4.14 1.21 -4.93 -3.80 8.00 0.27 -5.01 116.55 108.16 2j0i n ASP 529 Ca 0.01 0.05 -0.26 0.00 0.71 0.00 0.00 54.79 55.31 2j0i n ASP 529 Cb 0.41 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.56 2j0i n ASP 529 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2j0i s ASN 530 N -6.22 5.09 0.93 -2.24 0.01 -0.38 -5.08 114.94 107.05 2j0i s ASN 530 Ca -0.20 0.50 -0.12 0.00 -0.71 0.00 0.00 52.86 52.33 2j0i s ASN 530 Cb 0.07 -1.28 0.15 0.00 0.41 0.00 0.00 41.25 40.61 2j0i s ASN 530 CO 0.74 -1.40 1.10 -0.76 -1.51 0.00 0.00 177.10 175.27 2j0i s LEU 531 N -5.13 1.95 0.50 0.60 1.02 -1.26 -4.90 118.68 111.46 2j0i s LEU 531 Ca 0.58 1.21 -0.22 0.00 0.02 0.00 0.00 54.13 55.72 2j0i s LEU 531 Cb -0.11 -3.52 -0.08 0.00 0.02 0.00 0.00 46.19 42.50 2j0i s LEU 531 CO 0.44 -2.76 1.02 -2.65 0.02 0.00 0.00 176.35 172.43 2j0i n PRO 532 N -3.93 1.24 -2.24 1.29 -0.02 -1.26 -4.91 135.00 125.17 2j0i n PRO 532 Ca 0.06 0.46 -0.33 0.00 -2.02 0.00 0.00 63.50 61.66 2j0i n PRO 532 Cb 0.57 -2.14 -0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2j0i n PRO 532 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2j0i s PRO 533 N -2.36 3.46 0.03 0.52 0.04 -1.26 -5.04 135.00 130.40 2j0i s PRO 533 Ca 0.68 1.33 -0.00 0.00 0.04 0.00 0.00 61.00 63.05 2j0i s PRO 533 Cb -0.49 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 2j0i s PRO 533 CO 0.53 -0.71 0.13 1.03 0.04 0.00 0.00 177.00 178.02 2j0i s ARG 534 N -3.67 3.19 0.06 4.56 0.52 -1.26 -5.08 118.95 117.27 2j0i s ARG 534 Ca 0.66 -0.48 -0.31 0.00 -0.52 0.00 0.00 55.73 55.08 2j0i s ARG 534 Cb -0.17 -2.92 -0.06 0.00 0.52 0.00 0.00 34.95 32.31 2j0i s ARG 534 CO 0.30 0.63 1.32 -0.51 0.02 0.00 0.00 175.30 177.06 2j0i s LEU 535 N -2.08 4.35 0.30 2.53 1.43 -1.26 -4.91 118.68 119.04 2j0i s LEU 535 Ca 0.28 2.14 -0.01 0.00 -1.03 0.00 0.00 54.13 55.51 2j0i s LEU 535 Cb -0.12 -3.58 0.48 0.00 0.03 0.00 0.00 46.19 43.00 2j0i s LEU 535 CO 0.20 -0.61 1.95 0.11 0.23 0.00 0.00 176.35 178.22 2j0i h LYS 536 N 7.12 1.05 -1.01 1.70 6.56 -1.97 -2.61 116.57 127.42 2j0i h LYS 536 Ca -0.40 -0.06 -0.43 0.00 -1.06 0.00 0.00 60.65 58.69 2j0i h LYS 536 Cb 1.20 -0.24 -0.25 0.00 -0.57 0.00 0.00 32.23 32.37 2j0i h LYS 536 CO 0.86 0.69 0.55 0.09 -2.06 0.00 0.00 179.45 179.58 2j0i n ASN 537 N -4.44 3.88 -0.34 0.86 3.02 -1.26 -4.69 115.26 112.29 2j0i n ASN 537 Ca 0.11 -3.32 0.14 0.00 -0.03 0.00 0.00 54.58 51.48 2j0i n ASN 537 Cb 0.09 -0.79 0.35 0.00 -0.61 0.00 0.00 39.78 38.82 2j0i n ASN 537 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2j0i h LEU 538 N 1.09 0.74 -0.38 3.41 5.85 -1.86 -1.26 115.31 122.91 2j0i h LEU 538 Ca 0.52 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.33 2j0i h LEU 538 Cb 2.39 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 43.39 2j0i h LEU 538 CO 0.93 0.26 0.00 0.00 -0.34 0.00 0.00 178.44 179.28 2j0i n HIS 539 N -4.74 0.47 0.08 1.25 1.44 -1.26 -2.64 115.22 109.82 2j0i n HIS 539 Ca 0.23 0.18 0.10 0.00 -2.01 0.00 0.00 57.72 56.23 2j0i n HIS 539 Cb 0.60 -0.79 -0.03 0.00 0.12 0.00 0.00 29.99 29.89 2j0i n HIS 539 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2j0i n LYS 540 N -1.92 0.61 -2.68 -1.40 5.02 -0.47 -4.99 118.16 112.32 2j0i n LYS 540 Ca 0.03 0.08 -0.28 0.00 -2.02 0.00 0.00 58.31 56.12 2j0i n LYS 540 Cb 0.21 -1.78 -0.01 0.00 -0.02 0.00 0.00 35.03 33.43 2j0i n LYS 540 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2j0i s VAL 541 N -3.35 4.87 0.61 -0.18 -7.23 -1.08 -5.07 120.40 108.97 2j0i s VAL 541 Ca -0.02 0.35 -0.14 0.00 -1.81 0.00 0.00 61.98 60.36 2j0i s VAL 541 Cb 0.10 -3.82 -0.03 0.00 0.56 0.00 0.00 36.38 33.19 2j0i s VAL 541 CO 0.81 -0.75 1.05 -0.94 -0.31 0.00 0.00 175.10 174.95 2j0i s SER 542 N -3.81 5.80 0.36 4.85 1.04 -1.26 -4.93 113.70 115.74 2j0i s SER 542 Ca 0.49 1.72 0.07 0.00 0.48 0.00 0.00 55.95 58.72 2j0i s SER 542 Cb -0.10 -2.52 0.78 0.00 0.10 0.00 0.00 66.02 64.28 2j0i s SER 542 CO 0.41 -1.16 1.90 -0.65 0.98 0.00 0.00 173.24 174.73 2j0i h PRO 543 N 0.18 0.71 -0.41 4.02 0.11 -1.97 -2.47 132.00 132.16 2j0i h PRO 543 Ca -0.46 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.63 2j0i h PRO 543 Cb 1.21 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 2j0i h PRO 543 CO 0.58 0.47 0.22 1.03 -0.21 0.00 0.00 178.00 180.09 2j0i h SER 544 N 0.73 0.33 -0.56 -2.05 0.87 -1.99 -1.02 113.55 109.86 2j0i h SER 544 Ca 0.40 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.87 2j0i h SER 544 Cb 0.53 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2j0i h SER 544 CO -0.16 0.24 -0.05 0.25 -0.53 0.00 0.00 176.83 176.57 2j0i h LEU 545 N 0.44 1.02 -0.53 2.23 6.46 -1.84 -1.44 115.31 121.65 2j0i h LEU 545 Ca 0.17 -0.33 -0.05 0.00 -0.12 0.00 0.00 57.88 57.55 2j0i h LEU 545 Cb 0.06 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.69 2j0i h LEU 545 CO -0.11 1.10 0.12 0.50 -0.62 0.00 0.00 178.44 179.44 2j0i h LYS 546 N 0.91 0.85 -0.73 1.25 1.63 -1.23 0.35 116.57 119.59 2j0i h LYS 546 Ca 0.15 -0.21 -0.06 0.00 -0.85 0.00 0.00 60.65 59.68 2j0i h LYS 546 Cb 0.61 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 2j0i h LYS 546 CO 0.04 0.81 0.21 0.78 -3.45 0.00 0.00 179.45 177.84 2j0i h GLY 547 N 0.74 1.24 0.93 5.01 0.00 -1.08 -0.29 103.07 109.62 2j0i h GLY 547 Ca 0.16 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 2j0i h GLY 547 CO 0.00 0.69 -0.06 -2.75 0.00 0.00 0.00 176.54 174.42 2j0i h PHE 548 N 1.10 -0.16 -0.39 5.60 3.57 -1.01 -2.97 116.94 122.68 2j0i h PHE 548 Ca 0.24 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2j0i h PHE 548 Cb 0.33 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 2j0i h PHE 548 CO 0.03 -0.04 0.25 1.25 -2.23 0.00 0.00 178.31 177.57 2j0i h LEU 549 N -0.25 0.45 -2.21 0.59 5.85 -0.66 -1.58 115.31 117.50 2j0i h LEU 549 Ca -0.02 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2j0i h LEU 549 Cb 0.20 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 2j0i h LEU 549 CO 0.03 0.33 -0.05 0.44 -0.34 0.00 0.00 178.44 178.85 2j0i h ASP 550 N 0.53 0.00 1.24 1.25 3.32 -0.89 -1.29 116.42 120.58 2j0i h ASP 550 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2j0i h ASP 550 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2j0i h ASP 550 CO -0.03 0.05 -0.53 0.03 -1.72 0.00 0.00 179.24 177.03 2j0i h ARG 551 N 0.00 0.00 0.02 3.56 2.47 -1.23 -3.38 114.38 115.82 2j0i h ARG 551 Ca -0.00 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.46 2j0i h ARG 551 Cb 0.24 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.53 2j0i h ARG 551 CO 0.01 0.00 -1.43 1.28 0.56 0.00 0.00 179.97 180.38 2j0i n LEU 552 N -2.55 2.01 -3.50 3.04 4.32 -0.72 -1.46 117.00 118.14 2j0i n LEU 552 Ca 0.03 0.38 -0.40 0.00 -0.02 0.00 0.00 56.01 55.99 2j0i n LEU 552 Cb 0.50 -0.99 -0.00 0.00 -1.62 0.00 0.00 43.42 41.30 2j0i n LEU 552 CO 0.36 0.39 2.29 0.18 -1.22 0.00 0.00 177.39 179.40 2j0i n LEU 553 N -4.25 7.98 -4.58 2.23 4.77 -0.57 -4.09 117.00 118.50 2j0i n LEU 553 Ca -0.33 -4.95 -0.36 0.00 -0.03 0.00 0.00 56.01 50.35 2j0i n LEU 553 Cb 0.76 -1.34 -0.11 0.00 -2.33 0.00 0.00 43.42 40.40 2j0i n LEU 553 CO 0.23 2.06 -0.24 -0.69 -1.33 0.00 0.00 177.39 177.42 2j0i s VAL 554 N -1.53 4.76 0.22 4.08 1.01 -1.26 -4.82 120.40 122.85 2j0i s VAL 554 Ca 0.52 -0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.42 2j0i s VAL 554 Cb 0.19 -3.19 0.07 0.00 0.00 0.00 0.00 36.38 33.45 2j0i s VAL 554 CO -0.10 0.39 1.67 -0.09 0.00 0.00 0.00 175.10 176.98 2j0i h ARG 555 N 7.39 0.87 -6.08 2.72 2.43 -1.96 -3.40 114.38 116.34 2j0i h ARG 555 Ca -0.37 -0.29 -0.59 0.00 -0.81 0.00 0.00 59.98 57.92 2j0i h ARG 555 Cb 1.17 -0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 30.56 2j0i h ARG 555 CO 0.65 0.93 0.62 0.34 -1.51 0.00 0.00 179.97 180.99 2j0i s ASP 556 N -6.67 6.72 0.33 -3.80 -1.08 -1.26 -4.69 116.67 106.22 2j0i s ASP 556 Ca -0.10 0.68 0.08 0.00 -0.52 0.00 0.00 52.55 52.68 2j0i s ASP 556 Cb 0.14 -2.47 0.78 0.00 -1.46 0.00 0.00 42.92 39.90 2j0i s ASP 556 CO 0.84 -0.83 1.81 -0.65 0.52 0.00 0.00 175.17 176.86 2j0i h PRO 557 N 8.36 0.72 0.00 4.34 0.11 -1.95 -1.66 132.00 141.91 2j0i h PRO 557 Ca -0.23 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 2j0i h PRO 557 Cb 1.08 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 2j0i h PRO 557 CO 0.98 0.47 -0.19 0.00 -0.21 0.00 0.00 178.00 179.05 2j0i h ALA 558 N 1.61 1.27 0.00 -0.75 0.00 -1.95 -2.94 119.26 116.50 2j0i h ALA 558 Ca 0.53 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2j0i h ALA 558 Cb 0.86 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2j0i h ALA 558 CO -0.30 0.24 -1.20 1.04 0.00 0.00 0.00 179.25 179.03 2j0i n GLN 559 N -3.71 0.15 -2.12 0.00 1.13 -0.70 -4.95 117.38 107.18 2j0i n GLN 559 Ca -0.01 -0.04 -0.40 0.00 -1.94 0.00 0.00 57.00 54.60 2j0i n GLN 559 Cb 0.31 -1.51 -0.01 0.00 0.11 0.00 0.00 30.24 29.14 2j0i n GLN 559 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2j0i s ARG 560 N -3.12 4.17 0.65 -1.09 3.52 -0.77 -4.98 118.95 117.34 2j0i s ARG 560 Ca 0.05 2.14 -0.17 0.00 -0.13 0.00 0.00 55.73 57.62 2j0i s ARG 560 Cb 0.16 -2.91 -0.00 0.00 -1.56 0.00 0.00 34.95 30.64 2j0i s ARG 560 CO 0.87 -0.31 1.18 0.00 -0.81 0.00 0.00 175.30 176.22 2j0i s ALA 561 N -1.22 2.39 0.40 6.12 0.00 -0.53 -5.01 121.76 123.90 2j0i s ALA 561 Ca 0.53 0.83 0.04 0.00 0.00 0.00 0.00 51.96 53.36 2j0i s ALA 561 Cb -0.38 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.32 2j0i s ALA 561 CO 0.50 -1.41 0.57 0.95 0.00 0.00 0.00 175.76 176.36 2j0i s THR 562 N -1.94 3.79 0.15 0.00 -4.23 -1.26 -4.93 115.64 107.22 2j0i s THR 562 Ca 0.73 -0.82 -0.17 0.00 -1.18 0.00 0.00 61.69 60.25 2j0i s THR 562 Cb -0.27 -3.34 0.00 0.00 1.34 0.00 0.00 72.50 70.23 2j0i s THR 562 CO 0.39 -0.17 1.80 0.00 -0.54 0.00 0.00 174.62 176.10 2j0i h ALA 563 N 0.64 0.47 -0.85 3.99 0.00 -1.93 -1.22 119.26 120.36 2j0i h ALA 563 Ca -0.45 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.48 2j0i h ALA 563 Cb 1.26 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 2j0i h ALA 563 CO 0.53 -0.09 0.55 0.00 0.00 0.00 0.00 179.25 180.24 2j0i h ALA 564 N 1.15 1.12 -0.27 0.00 0.00 -1.91 -2.19 119.26 117.16 2j0i h ALA 564 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2j0i h ALA 564 Cb -0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2j0i h ALA 564 CO -0.04 0.39 0.09 0.93 0.00 0.00 0.00 179.25 180.61 2j0i h GLU 565 N 1.07 0.41 0.00 0.00 5.08 -1.89 -3.15 114.58 116.10 2j0i h GLU 565 Ca 0.34 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 2j0i h GLU 565 Cb 0.01 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2j0i h GLU 565 CO -0.12 0.47 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.17 2j0i h LEU 566 N 0.27 0.00 -2.28 1.33 3.38 -0.83 -2.10 115.31 115.07 2j0i h LEU 566 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2j0i h LEU 566 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2j0i h LEU 566 CO -0.00 0.13 0.00 -0.07 0.09 0.00 0.00 178.44 178.58 2j0i h LEU 567 N 0.00 0.00 -1.75 1.67 3.38 -1.36 -1.65 115.31 115.60 2j0i h LEU 567 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2j0i h LEU 567 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2j0i h LEU 567 CO 0.02 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.84 2j0i n LYS 568 N -2.93 2.19 -2.45 1.13 5.02 -0.79 -4.98 118.16 115.34 2j0i n LYS 568 Ca -0.02 -1.74 -0.41 0.00 -2.02 0.00 0.00 58.31 54.12 2j0i n LYS 568 Cb 0.14 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 2j0i n LYS 568 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2j0i s HIS 569 N -1.87 3.51 0.47 2.13 2.46 -0.62 -4.93 115.29 116.43 2j0i s HIS 569 Ca 0.33 1.48 0.26 0.00 0.47 0.00 0.00 55.06 57.60 2j0i s HIS 569 Cb 0.21 -3.35 1.31 0.00 -0.13 0.00 0.00 32.58 30.61 2j0i s HIS 569 CO 0.31 -0.93 1.82 -1.35 -2.47 0.00 0.00 174.74 172.12 2j0i h PRO 570 N 5.49 0.20 -0.95 2.88 0.11 -1.94 -1.84 132.00 135.95 2j0i h PRO 570 Ca -0.44 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.76 2j0i h PRO 570 Cb 1.21 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 2j0i h PRO 570 CO 0.75 0.13 0.61 0.35 -0.21 0.00 0.00 178.00 179.63 2j0i h PHE 571 N 0.20 1.07 0.00 0.65 3.57 -1.92 -1.05 116.94 119.47 2j0i h PHE 571 Ca 0.53 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.06 2j0i h PHE 571 Cb 1.70 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 40.10 2j0i h PHE 571 CO -0.00 0.48 0.00 1.28 -2.23 0.00 0.00 178.31 177.84 2j0i n LEU 572 N -4.55 0.67 0.27 0.59 4.77 -0.69 -1.45 117.00 116.61 2j0i n LEU 572 Ca 0.16 0.68 0.17 0.00 -0.03 0.00 0.00 56.01 56.99 2j0i n LEU 572 Cb 0.30 -0.60 0.92 0.00 -2.33 0.00 0.00 43.42 41.70 2j0i n LEU 572 CO 0.30 -0.61 1.15 0.00 -1.33 0.00 0.00 177.39 176.90 2j0i h ALA 573 N 2.23 1.56 0.00 -1.18 0.00 -1.31 -1.73 119.26 118.83 2j0i h ALA 573 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2j0i h ALA 573 Cb 0.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2j0i h ALA 573 CO 0.00 -0.15 0.00 1.63 0.00 0.00 0.00 179.25 180.73 2j0i n LYS 574 N -3.65 0.11 -1.69 0.00 5.02 -0.53 -4.90 118.16 112.53 2j0i n LYS 574 Ca -0.01 0.23 -0.44 0.00 -2.02 0.00 0.00 58.31 56.07 2j0i n LYS 574 Cb 0.20 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.51 2j0i n LYS 574 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2j0i n ALA 575 N -1.64 1.94 -1.92 7.82 0.00 -0.65 -4.31 120.51 121.75 2j0i n ALA 575 Ca 0.04 0.35 -0.28 0.00 0.00 0.00 0.00 53.44 53.55 2j0i n ALA 575 Cb 0.29 -2.53 0.10 0.00 0.00 0.00 0.00 19.45 17.31 2j0i n ALA 575 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2j0i s GLY 576 N 2.37 1.66 0.87 0.00 0.00 -0.91 -4.86 107.32 106.45 2j0i s GLY 576 Ca 0.82 -0.88 -0.12 0.00 0.00 0.00 0.00 44.72 44.53 2j0i s GLY 576 CO 0.39 -0.38 1.16 2.56 0.00 0.00 0.00 173.10 176.82 2j0i s PRO 577 N -5.48 1.46 0.35 2.90 0.04 -1.26 -4.68 135.00 128.33 2j0i s PRO 577 Ca 0.63 0.20 0.13 0.00 0.04 0.00 0.00 61.00 62.00 2j0i s PRO 577 Cb -0.10 -1.88 0.95 0.00 0.04 0.00 0.00 34.50 33.51 2j0i s PRO 577 CO 0.48 -1.96 1.76 -1.35 0.04 0.00 0.00 177.00 175.96 2j0i h PRO 578 N -1.32 0.52 -0.70 0.56 0.11 -1.83 -0.32 132.00 129.02 2j0i h PRO 578 Ca -0.48 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 65.74 2j0i h PRO 578 Cb 1.33 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 2j0i h PRO 578 CO 0.63 0.34 0.47 0.00 -0.21 0.00 0.00 178.00 179.24 2j0i h ALA 579 N 1.67 2.18 0.00 -0.75 0.00 -1.86 -0.97 119.26 119.53 2j0i h ALA 579 Ca 0.61 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.50 2j0i h ALA 579 Cb 1.29 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2j0i h ALA 579 CO -0.38 -0.37 -0.11 0.66 0.00 0.00 0.00 179.25 179.05 2j0i h SER 580 N 0.34 0.00 0.82 0.00 4.64 -1.39 -2.85 113.55 115.11 2j0i h SER 580 Ca 0.34 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.42 2j0i h SER 580 Cb 0.85 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.91 2j0i h SER 580 CO -0.09 0.11 -1.20 0.40 -0.87 0.00 0.00 176.83 175.17 2j0i h ILE 581 N 0.00 1.49 -0.74 0.95 1.08 -1.28 -3.40 117.51 115.61 2j0i h ILE 581 Ca -0.00 -3.20 0.17 0.00 -0.39 0.00 0.00 64.86 61.43 2j0i h ILE 581 Cb 0.38 2.77 -0.12 0.00 -3.07 0.00 0.00 36.82 36.78 2j0i h ILE 581 CO 0.01 0.86 0.08 0.58 -0.69 0.00 0.00 178.15 179.00 2j0i h VAL 582 N 0.01 0.41 0.00 1.67 2.07 -1.47 -0.91 116.25 118.04 2j0i h VAL 582 Ca -0.09 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2j0i h VAL 582 Cb 1.86 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2j0i h VAL 582 CO 0.13 0.03 0.00 -0.65 0.02 0.00 0.00 177.57 177.10 2j0i h PRO 583 N 0.17 0.00 0.00 1.57 0.11 -1.77 -2.64 132.00 129.44 2j0i h PRO 583 Ca 0.41 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.41 2j0i h PRO 583 Cb 0.73 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 2j0i h PRO 583 CO -0.59 0.00 -0.54 -0.07 -0.21 0.00 0.00 178.00 176.59 2j0i h LEU 584 N 0.00 0.00 -9.99 2.35 3.38 -1.45 -3.32 115.31 106.28 2j0i h LEU 584 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 2j0i h LEU 584 Cb 0.08 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.86 2j0i h LEU 584 CO 0.00 0.54 0.43 -0.04 0.09 0.00 0.00 178.44 179.46 2j0i s MET 585 N -3.44 4.01 0.29 1.13 -1.94 -1.00 -4.77 119.30 113.59 2j0i s MET 585 Ca 0.00 1.56 0.04 0.00 -1.71 0.00 0.00 55.69 55.58 2j0i s MET 585 Cb 0.11 -2.45 0.75 0.00 2.01 0.00 0.00 34.83 35.24 2j0i s MET 585 CO 0.73 -0.28 1.67 -0.09 -0.01 0.00 0.00 175.02 177.04 2j0i h ARG 586 N 2.26 0.30 0.00 2.03 2.43 -1.90 0.44 114.38 119.94 2j0i h ARG 586 Ca -0.49 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2j0i h ARG 586 Cb 1.22 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2j0i h ARG 586 CO 0.61 0.20 0.00 0.00 -1.51 0.00 0.00 179.97 179.27 2j0i n GLN 587 N -5.13 0.16 -0.00 0.20 0.00 -1.26 -3.12 117.38 108.24 2j0i n GLN 587 Ca 0.22 0.41 0.05 0.00 0.00 0.00 0.00 57.00 57.69 2j0i n GLN 587 Cb 0.69 -1.82 -0.08 0.00 0.00 0.00 0.00 30.24 29.04 2j0i n GLN 587 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2j0i n ASN 588 N -2.12 2.32 -0.86 2.61 3.02 0.10 -5.19 115.26 115.13 2j0i n ASN 588 Ca 0.02 -0.11 0.12 0.00 -0.03 0.00 0.00 54.58 54.59 2j0i n ASN 588 Cb 0.21 1.40 0.19 0.00 -0.61 0.00 0.00 39.78 40.97 2j0i n ASN 588 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53