#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rep s ILE 311 N 0.00 3.81 -0.05 1.53 1.01 -1.26 -2.18 121.20 124.07 2rep s ILE 311 Ca 0.00 -0.40 0.06 0.00 0.00 0.00 0.00 60.65 60.31 2rep s ILE 311 Cb 0.00 -2.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 2rep s ILE 311 CO 0.00 0.53 -0.24 -0.13 0.00 0.00 0.00 174.94 175.09 2rep s ARG 312 N 0.01 2.40 -0.16 2.79 1.81 -0.21 -5.00 118.95 120.58 2rep s ARG 312 Ca 0.00 -0.88 0.02 0.00 -1.72 0.00 0.00 55.73 53.15 2rep s ARG 312 Cb -0.13 -2.07 0.02 0.00 -0.45 0.00 0.00 34.95 32.31 2rep s ARG 312 CO 0.03 0.40 -0.20 0.08 -0.68 0.00 0.00 175.30 174.92 2rep s VAL 313 N -0.22 2.01 -0.06 3.52 1.01 -1.26 -0.88 120.40 124.53 2rep s VAL 313 Ca -0.01 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.08 2rep s VAL 313 Cb -0.13 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 2rep s VAL 313 CO 0.03 0.54 -0.19 -0.36 0.00 0.00 0.00 175.10 175.12 2rep s PHE 314 N 1.10 2.59 -0.07 5.22 0.40 0.86 -1.48 117.98 126.60 2rep s PHE 314 Ca -0.00 -0.42 -0.02 0.00 -0.60 0.00 0.00 56.93 55.89 2rep s PHE 314 Cb -0.14 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 2rep s PHE 314 CO -0.08 -0.01 0.04 0.00 0.70 0.00 0.00 175.22 175.87 2rep s ARG 316 N -1.13 1.00 -0.26 0.00 3.52 -0.59 -0.97 118.95 120.51 2rep s ARG 316 Ca 0.16 -0.06 -0.09 0.00 -0.13 0.00 0.00 55.73 55.61 2rep s ARG 316 Cb -0.12 -1.20 -0.04 0.00 -1.56 0.00 0.00 34.95 32.03 2rep s ARG 316 CO 0.05 -0.26 0.13 0.08 -0.81 0.00 0.00 175.30 174.49 2rep s VAL 317 N 1.76 4.82 0.80 7.11 1.01 -0.97 -0.05 120.40 134.88 2rep s VAL 317 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 2rep s VAL 317 Cb -0.13 -3.28 0.07 0.00 0.00 0.00 0.00 36.38 33.05 2rep s VAL 317 CO -0.06 0.30 1.11 0.00 0.00 0.00 0.00 175.10 176.45 2rep s ARG 318 N 1.65 2.09 0.67 2.72 1.70 -1.10 -2.85 118.95 123.82 2rep s ARG 318 Ca 0.07 0.51 -0.12 0.00 -0.47 0.00 0.00 55.73 55.72 2rep s ARG 318 Cb -0.15 -1.93 -0.00 0.00 -0.57 0.00 0.00 34.95 32.29 2rep s ARG 318 CO 0.07 -1.59 1.06 -2.14 -1.08 0.00 0.00 175.30 171.62 2rep s PRO 319 N -5.25 3.06 0.08 3.89 0.02 -1.26 -4.45 135.00 131.09 2rep s PRO 319 Ca 0.61 1.00 -0.30 0.00 0.02 0.00 0.00 61.00 62.33 2rep s PRO 319 Cb -0.13 -2.00 -0.06 0.00 0.02 0.00 0.00 34.50 32.32 2rep s PRO 319 CO 0.53 -1.01 1.12 0.08 -0.33 0.00 0.00 177.00 177.40 2rep s VAL 320 N -2.92 4.17 0.24 3.83 1.01 -1.26 -4.91 120.40 120.56 2rep s VAL 320 Ca 0.59 1.63 0.05 0.00 0.00 0.00 0.00 61.98 64.25 2rep s VAL 320 Cb -0.14 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 2rep s VAL 320 CO 0.51 0.17 0.34 -0.76 0.00 0.00 0.00 175.10 175.36 2rep s LEU 321 N 0.66 4.28 0.31 3.92 1.43 -1.26 -5.05 118.68 122.97 2rep s LEU 321 Ca 0.55 0.05 -0.28 0.00 -1.03 0.00 0.00 54.13 53.42 2rep s LEU 321 Cb -0.28 -2.82 -0.14 0.00 0.03 0.00 0.00 46.19 42.99 2rep s LEU 321 CO 0.30 -0.06 1.05 -2.65 0.23 0.00 0.00 176.35 175.22 2rep n PRO 322 N -1.36 1.46 0.00 1.29 -0.02 -1.26 -2.22 135.00 132.89 2rep n PRO 322 Ca -0.09 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2rep n PRO 322 Cb 0.57 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 2rep n PRO 322 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rep n GLY 323 N 1.15 2.57 3.79 -1.23 0.00 -1.26 -5.03 105.19 105.19 2rep n GLY 323 Ca 0.09 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 2rep n GLY 323 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rep s GLU 324 N 0.00 4.02 0.29 1.61 2.02 -0.94 -5.00 118.70 120.71 2rep s GLU 324 Ca 0.00 1.44 -0.29 0.00 0.02 0.00 0.00 54.97 56.13 2rep s GLU 324 Cb 0.00 -2.35 -0.10 0.00 0.10 0.00 0.00 34.13 31.78 2rep s GLU 324 CO 0.00 -0.25 1.37 -2.14 0.02 0.00 0.00 175.26 174.26 2rep s PRO 325 N -2.82 4.31 0.06 0.39 0.02 -1.26 -4.86 135.00 130.85 2rep s PRO 325 Ca 0.62 2.26 -0.31 0.00 0.02 0.00 0.00 61.00 63.59 2rep s PRO 325 Cb -0.19 -3.09 -0.08 0.00 0.02 0.00 0.00 34.50 31.16 2rep s PRO 325 CO 0.24 -0.30 1.65 0.99 -0.33 0.00 0.00 177.00 179.25 2rep s THR 326 N -0.59 3.06 0.43 0.99 2.01 -1.26 -4.82 115.64 115.45 2rep s THR 326 Ca 0.54 0.49 -0.15 0.00 0.31 0.00 0.00 61.69 62.88 2rep s THR 326 Cb -0.41 -3.32 -0.08 0.00 0.01 0.00 0.00 72.50 68.70 2rep s THR 326 CO 0.49 -0.00 0.87 -2.16 -0.69 0.00 0.00 174.62 173.12 2rep s PRO 327 N 2.69 3.95 0.33 4.92 0.04 -1.26 -4.93 135.00 140.74 2rep s PRO 327 Ca 0.74 0.78 -0.29 0.00 0.04 0.00 0.00 61.00 62.27 2rep s PRO 327 Cb -0.40 -2.28 -0.12 0.00 0.04 0.00 0.00 34.50 31.75 2rep s PRO 327 CO 0.32 -0.08 1.45 -2.30 0.04 0.00 0.00 177.00 176.43 2rep n PRO 328 N -1.12 2.47 -0.09 0.56 -0.02 -1.26 -4.89 135.00 130.65 2rep n PRO 328 Ca 0.05 0.87 -0.06 0.00 -2.02 0.00 0.00 63.50 62.34 2rep n PRO 328 Cb 0.54 -2.56 0.01 0.00 -0.02 0.00 0.00 33.50 31.46 2rep n PRO 328 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2rep h PRO 329 N 3.41 0.13 -0.00 0.52 0.13 -1.95 -1.81 132.00 132.43 2rep h PRO 329 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2rep h PRO 329 Cb 1.25 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2rep h PRO 329 CO 0.68 0.08 0.00 0.41 -0.23 0.00 0.00 178.00 178.95 2rep n GLY 330 N -1.23 -0.89 0.48 1.56 0.00 -1.26 -3.45 105.19 100.40 2rep n GLY 330 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2rep n GLY 330 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2rep h LEU 331 N 0.00 -1.23 -8.33 0.99 5.85 -1.69 -3.41 115.31 107.49 2rep h LEU 331 Ca 0.00 0.09 -0.66 0.00 0.84 0.00 0.00 57.88 58.14 2rep h LEU 331 Cb 0.00 0.38 -0.30 0.00 0.37 0.00 0.00 40.66 41.11 2rep h LEU 331 CO 0.00 -0.67 -0.79 -0.76 -0.34 0.00 0.00 178.44 175.88 2rep s LEU 332 N -10.10 2.53 0.29 2.25 1.43 -1.22 -3.35 118.68 110.51 2rep s LEU 332 Ca -0.18 -0.48 0.11 0.00 -1.03 0.00 0.00 54.13 52.55 2rep s LEU 332 Cb 0.04 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 2rep s LEU 332 CO 0.61 0.04 -0.16 -0.76 0.23 0.00 0.00 176.35 176.31 2rep s LEU 333 N 1.07 2.68 -0.46 1.79 1.02 -0.89 -4.96 118.68 118.93 2rep s LEU 333 Ca -0.00 -1.03 0.07 0.00 0.02 0.00 0.00 54.13 53.19 2rep s LEU 333 Cb -0.15 -1.14 0.24 0.00 0.02 0.00 0.00 46.19 45.16 2rep s LEU 333 CO -0.03 -0.01 0.55 0.49 0.02 0.00 0.00 176.35 177.36 2rep n PHE 334 N -0.68 0.61 -0.97 0.29 3.72 -1.26 -2.08 117.46 117.08 2rep n PHE 334 Ca -0.05 -3.69 -0.33 0.00 -0.05 0.00 0.00 57.45 53.33 2rep n PHE 334 Cb 0.61 -0.33 0.14 0.00 -0.94 0.00 0.00 39.48 38.96 2rep n PHE 334 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2rep n PRO 335 N 1.50 -0.03 -4.59 -1.08 -0.02 -1.25 -5.01 135.00 124.52 2rep n PRO 335 Ca 0.24 0.07 -0.28 0.00 -2.02 0.00 0.00 63.50 61.52 2rep n PRO 335 Cb 0.49 -2.42 -0.08 0.00 -0.02 0.00 0.00 33.50 31.47 2rep n PRO 335 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2rep s SER 336 N -2.28 3.21 0.38 2.55 1.04 -1.26 -4.50 113.70 112.84 2rep s SER 336 Ca 0.71 -1.65 0.00 0.00 0.48 0.00 0.00 55.95 55.49 2rep s SER 336 Cb -0.27 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2rep s SER 336 CO 0.53 -0.89 0.00 0.47 0.98 0.00 0.00 173.24 174.33 2rep n ASP 343 N -1.27 -5.50 -4.89 7.02 10.43 -1.26 -5.00 116.55 116.08 2rep n ASP 343 Ca -0.10 1.20 -0.30 0.00 2.57 0.00 0.00 54.79 58.16 2rep n ASP 343 Cb 0.66 -3.87 -0.04 0.00 1.84 0.00 0.00 41.12 39.71 2rep n ASP 343 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 2rep s PRO 344 N -4.84 3.69 0.44 -0.24 0.04 -1.26 -5.04 135.00 127.79 2rep s PRO 344 Ca 0.00 0.12 -0.24 0.00 0.04 0.00 0.00 61.00 60.92 2rep s PRO 344 Cb 0.00 -2.63 -0.08 0.00 0.04 0.00 0.00 34.50 31.83 2rep s PRO 344 CO 0.00 0.23 1.19 -1.25 0.04 0.00 0.00 177.00 177.21 2rep s PRO 345 N -3.33 3.84 0.00 0.56 0.04 -1.26 -4.95 135.00 129.89 2rep s PRO 345 Ca 0.45 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.35 2rep s PRO 345 Cb -0.11 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.92 2rep s PRO 345 CO 0.27 -0.51 0.00 0.25 0.04 0.00 0.00 177.00 177.05 2rep n THR 346 N -0.29 0.00 -4.24 1.26 -2.24 -1.26 -2.17 114.28 105.34 2rep n THR 346 Ca 0.06 -0.35 -0.18 0.00 -2.27 0.00 0.00 64.05 61.31 2rep n THR 346 Cb 0.47 0.95 -0.11 0.00 -2.10 0.00 0.00 70.33 69.54 2rep n THR 346 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rep s ARG 347 N -0.80 1.03 0.07 -0.78 1.70 -1.26 -0.16 118.95 118.74 2rep s ARG 347 Ca 0.00 -1.23 0.06 0.00 -0.47 0.00 0.00 55.73 54.09 2rep s ARG 347 Cb 0.00 -0.94 -0.03 0.00 -0.57 0.00 0.00 34.95 33.41 2rep s ARG 347 CO 0.00 0.18 -0.17 -1.17 -1.08 0.00 0.00 175.30 173.06 2rep s LEU 348 N -2.41 2.25 0.00 -1.89 2.96 -0.64 -3.95 118.68 115.00 2rep s LEU 348 Ca 0.09 -0.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 2rep s LEU 348 Cb -0.05 -0.71 -0.01 0.00 0.50 0.00 0.00 46.19 45.92 2rep s LEU 348 CO 0.03 0.02 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.46 2rep s SER 349 N -1.58 0.90 0.00 3.68 0.15 -0.88 -1.09 113.70 114.88 2rep s SER 349 Ca 0.03 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.49 2rep s SER 349 Cb -0.09 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2rep s SER 349 CO 0.03 0.06 0.00 -0.11 1.20 0.00 0.00 173.24 174.42 2rep n LEU 350 N 2.71 0.00 -3.52 3.45 7.94 0.15 -2.09 117.00 125.64 2rep n LEU 350 Ca -0.14 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.54 2rep n LEU 350 Cb 0.57 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.38 2rep n LEU 350 CO 0.25 0.00 -0.26 -0.44 -1.11 0.00 0.00 177.39 175.83 2rep s SER 351 N -0.04 1.98 0.05 1.96 0.01 -1.21 -4.01 113.70 112.44 2rep s SER 351 Ca 0.00 -0.53 0.06 0.00 1.31 0.00 0.00 55.95 56.79 2rep s SER 351 Cb 0.00 0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.32 2rep s SER 351 CO 0.00 -0.35 -0.18 -0.60 0.41 0.00 0.00 173.24 172.52 2rep s ARG 369 N 2.24 1.17 0.05 12.44 3.00 -1.26 -5.15 118.95 131.45 2rep s ARG 369 Ca 0.06 -0.89 -0.31 0.00 -1.00 0.00 0.00 55.73 53.59 2rep s ARG 369 Cb -0.16 -1.26 -0.06 0.00 0.00 0.00 0.00 34.95 33.48 2rep s ARG 369 CO -0.16 0.32 1.22 -1.01 0.00 0.00 0.00 175.30 175.66 2rep s HIS 370 N -0.86 3.38 0.03 5.12 4.02 -1.26 -5.06 115.29 120.67 2rep s HIS 370 Ca 0.05 1.25 0.00 0.00 1.02 0.00 0.00 55.06 57.39 2rep s HIS 370 Cb -0.09 -3.45 -0.03 0.00 -1.02 0.00 0.00 32.58 28.00 2rep s HIS 370 CO 0.02 -1.39 -0.04 0.16 1.02 0.00 0.00 174.74 174.51 2rep s ASP 371 N 1.13 0.44 0.03 1.40 1.47 -1.26 0.31 116.67 120.20 2rep s ASP 371 Ca 0.59 -0.63 0.03 0.00 1.18 0.00 0.00 52.55 53.72 2rep s ASP 371 Cb -0.30 0.11 -0.02 0.00 -0.34 0.00 0.00 42.92 42.37 2rep s ASP 371 CO 0.29 -0.35 -0.10 -0.36 0.68 0.00 0.00 175.17 175.33 2rep s PHE 372 N -2.01 0.87 0.08 2.11 0.40 -0.25 -5.00 117.98 114.17 2rep s PHE 372 Ca -0.09 -0.36 0.05 0.00 -0.60 0.00 0.00 56.93 55.93 2rep s PHE 372 Cb -0.06 -0.52 -0.04 0.00 0.51 0.00 0.00 43.02 42.91 2rep s PHE 372 CO -0.03 -0.02 -0.05 0.45 0.70 0.00 0.00 175.22 176.27 2rep s SER 373 N -1.15 4.70 0.32 1.36 0.15 -1.26 -1.62 113.70 116.20 2rep s SER 373 Ca -0.03 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.39 2rep s SER 373 Cb -0.08 -1.03 -0.02 0.00 -1.71 0.00 0.00 66.02 63.18 2rep s SER 373 CO 0.01 0.20 0.35 -0.36 1.20 0.00 0.00 173.24 174.63 2rep s PHE 374 N -1.21 1.41 0.28 3.44 0.40 0.77 -4.97 117.98 118.09 2rep s PHE 374 Ca 0.22 -1.48 0.04 0.00 -0.60 0.00 0.00 56.93 55.12 2rep s PHE 374 Cb -0.11 -0.44 0.40 0.00 0.51 0.00 0.00 43.02 43.38 2rep s PHE 374 CO 0.14 -0.96 1.69 -0.44 0.70 0.00 0.00 175.22 176.36 2rep h ASP 375 N 2.17 0.38 -4.62 1.36 3.45 -1.53 -3.44 116.42 114.20 2rep h ASP 375 Ca -0.27 -0.15 -0.08 0.00 0.43 0.00 0.00 57.03 56.96 2rep h ASP 375 Cb 1.24 -0.10 -0.20 0.00 -0.56 0.00 0.00 39.33 39.70 2rep h ASP 375 CO 0.39 0.72 0.02 -0.60 -1.57 0.00 0.00 179.24 178.20 2rep s ARG 376 N -4.27 0.85 -0.17 3.56 3.52 -1.24 -4.82 118.95 116.37 2rep s ARG 376 Ca -0.06 0.37 0.00 0.00 -0.13 0.00 0.00 55.73 55.92 2rep s ARG 376 Cb 0.13 0.40 0.01 0.00 -1.56 0.00 0.00 34.95 33.93 2rep s ARG 376 CO 0.79 -0.21 -0.17 0.08 -0.81 0.00 0.00 175.30 174.98 2rep s VAL 377 N -0.68 2.42 -0.36 7.11 1.01 -0.92 -1.77 120.40 127.22 2rep s VAL 377 Ca -0.08 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 2rep s VAL 377 Cb -0.03 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 2rep s VAL 377 CO 0.06 0.52 0.25 -0.36 0.00 0.00 0.00 175.10 175.56 2rep s PHE 378 N 1.13 3.23 0.87 5.22 0.08 -0.14 -4.71 117.98 123.65 2rep s PHE 378 Ca 0.01 -0.36 -0.12 0.00 0.12 0.00 0.00 56.93 56.58 2rep s PHE 378 Cb -0.14 -2.49 0.11 0.00 -0.57 0.00 0.00 43.02 39.93 2rep s PHE 378 CO -0.07 -0.44 1.11 -1.25 -0.10 0.00 0.00 175.22 174.48 2rep s PRO 379 N 1.70 1.52 0.58 0.24 0.04 -1.26 -2.28 135.00 135.54 2rep s PRO 379 Ca 0.06 0.55 0.28 0.00 0.04 0.00 0.00 61.00 61.92 2rep s PRO 379 Cb -0.18 -1.86 1.66 0.00 0.04 0.00 0.00 34.50 34.16 2rep s PRO 379 CO 0.10 -1.99 2.13 -1.00 0.04 0.00 0.00 177.00 176.28 2rep h PRO 380 N -1.36 0.00 0.00 0.56 0.13 -1.80 -1.94 132.00 127.59 2rep h PRO 380 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2rep h PRO 380 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2rep h PRO 380 CO 0.59 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.77 2rep n GLY 381 N -1.40 -1.00 3.73 1.56 0.00 -1.26 -4.37 105.19 102.44 2rep n GLY 381 Ca 0.01 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2rep n GLY 381 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rep s SER 382 N -2.48 7.13 0.60 1.61 1.04 -0.73 -5.02 113.70 115.85 2rep s SER 382 Ca 0.24 2.09 -0.10 0.00 0.48 0.00 0.00 55.95 58.65 2rep s SER 382 Cb 0.16 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 2rep s SER 382 CO 0.34 -0.38 0.99 -0.83 0.98 0.00 0.00 173.24 174.34 2rep s GLY 383 N 0.54 1.64 0.29 7.32 0.00 -1.26 -4.96 107.32 110.88 2rep s GLY 383 Ca 0.55 -0.15 -0.02 0.00 0.00 0.00 0.00 44.72 45.10 2rep s GLY 383 CO 0.32 0.10 1.92 1.46 0.00 0.00 0.00 173.10 176.91 2rep h GLN 384 N -0.23 1.11 -0.82 2.90 1.08 -1.87 -2.11 115.11 115.16 2rep h GLN 384 Ca -0.44 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 56.67 2rep h GLN 384 Cb 1.19 -0.25 -0.04 0.00 -0.05 0.00 0.00 27.48 28.33 2rep h GLN 384 CO 0.62 0.73 0.43 0.38 -0.95 0.00 0.00 178.83 180.04 2rep h ASP 385 N 1.14 1.04 0.08 1.46 2.03 -1.87 -2.22 116.42 118.08 2rep h ASP 385 Ca 0.38 -0.10 -0.14 0.00 -0.73 0.00 0.00 57.03 56.44 2rep h ASP 385 Cb 0.06 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.28 2rep h ASP 385 CO -0.12 0.86 -0.47 -0.33 -1.03 0.00 0.00 179.24 178.15 2rep h GLU 386 N 1.16 0.46 -0.37 4.15 5.08 -1.83 -1.48 114.58 121.76 2rep h GLU 386 Ca 0.29 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 2rep h GLU 386 Cb 0.06 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2rep h GLU 386 CO -0.04 0.83 -0.13 0.28 -1.00 0.00 0.00 179.01 178.95 2rep h VAL 387 N 0.37 1.28 -0.25 3.13 2.07 -1.17 -3.00 116.25 118.68 2rep h VAL 387 Ca 0.02 -1.23 -0.20 0.00 0.82 0.00 0.00 66.70 66.11 2rep h VAL 387 Cb 0.96 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2rep h VAL 387 CO 0.08 0.41 -0.60 0.15 0.02 0.00 0.00 177.57 177.63 2rep h PHE 388 N 0.53 1.09 -0.54 1.57 3.57 -1.37 -3.12 116.94 118.67 2rep h PHE 388 Ca 0.09 -0.41 0.09 0.00 3.53 0.00 0.00 57.97 61.27 2rep h PHE 388 Cb 0.66 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2rep h PHE 388 CO 0.05 1.24 0.37 1.49 -2.23 0.00 0.00 178.31 179.23 2rep h GLU 389 N 0.64 0.35 -0.70 1.11 4.57 -1.27 0.01 114.58 119.28 2rep h GLU 389 Ca -0.00 -0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.28 2rep h GLU 389 Cb 1.22 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.68 2rep h GLU 389 CO 0.13 0.23 0.47 1.49 -1.18 0.00 0.00 179.01 180.15 2rep h GLU 390 N 0.36 0.46 -0.23 1.92 4.57 -1.46 -2.86 114.58 117.35 2rep h GLU 390 Ca 0.25 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 2rep h GLU 390 Cb 0.51 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2rep h GLU 390 CO -0.06 0.30 0.00 0.44 -1.18 0.00 0.00 179.01 178.51 2rep n ILE 391 N -4.48 1.28 0.01 2.32 -5.35 -0.11 -4.76 119.36 108.26 2rep n ILE 391 Ca 0.12 -1.24 -0.10 0.00 -0.27 0.00 0.00 62.75 61.26 2rep n ILE 391 Cb 0.43 0.32 -0.04 0.00 -1.74 0.00 0.00 39.64 38.60 2rep n ILE 391 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2rep h ALA 392 N 1.36 0.02 -0.22 -1.28 0.00 -1.04 -0.84 119.26 117.25 2rep h ALA 392 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2rep h ALA 392 Cb 0.82 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2rep h ALA 392 CO 0.04 -0.53 -0.36 0.52 0.00 0.00 0.00 179.25 178.93 2rep h MET 393 N -0.07 0.48 -0.47 0.00 2.86 -1.86 -1.80 114.93 114.09 2rep h MET 393 Ca 0.06 -0.22 -0.10 0.00 -2.06 0.00 0.00 59.70 57.37 2rep h MET 393 Cb 0.15 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 2rep h MET 393 CO -0.13 0.77 -0.12 -0.07 1.06 0.00 0.00 176.91 178.42 2rep h LEU 394 N 0.41 0.86 -1.07 1.22 3.38 -1.84 -2.36 115.31 115.92 2rep h LEU 394 Ca 0.04 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2rep h LEU 394 Cb 0.81 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2rep h LEU 394 CO 0.07 0.99 0.18 0.58 0.09 0.00 0.00 178.44 180.35 2rep h VAL 395 N 0.77 1.22 -0.69 1.22 2.07 -0.70 -2.68 116.25 117.45 2rep h VAL 395 Ca 0.12 -0.74 0.07 0.00 0.82 0.00 0.00 66.70 66.97 2rep h VAL 395 Cb 0.64 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2rep h VAL 395 CO 0.04 0.28 0.46 1.56 0.02 0.00 0.00 177.57 179.94 2rep h GLN 396 N 0.82 0.67 0.00 1.57 4.20 -0.80 -2.89 115.11 118.67 2rep h GLN 396 Ca 0.19 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2rep h GLN 396 Cb 0.23 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2rep h GLN 396 CO -0.01 0.44 0.00 -1.13 -0.67 0.00 0.00 178.83 177.46 2rep n SER 397 N -4.48 0.00 0.20 1.46 3.41 -1.01 0.17 113.62 113.37 2rep n SER 397 Ca 0.10 0.41 0.14 0.00 -0.26 0.00 0.00 58.87 59.26 2rep n SER 397 Cb 0.25 -0.42 0.41 0.00 -0.26 0.00 0.00 64.21 64.18 2rep n SER 397 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rep h ALA 398 N 2.10 1.00 0.00 7.33 0.00 -1.59 -2.24 119.26 125.86 2rep h ALA 398 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rep h ALA 398 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2rep h ALA 398 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.18 2rep h LEU 399 N 0.00 0.00 -3.02 0.00 3.38 -0.50 -3.25 115.31 111.92 2rep h LEU 399 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2rep h LEU 399 Cb 0.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 2rep h LEU 399 CO 0.00 0.00 -0.04 -0.67 0.09 0.00 0.00 178.44 177.82 2rep n ASP 400 N -2.56 2.42 0.00 -0.43 2.03 -0.97 -4.87 116.55 112.16 2rep n ASP 400 Ca 0.01 -3.16 0.00 0.00 0.52 0.00 0.00 54.79 52.17 2rep n ASP 400 Cb 0.25 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 2rep n ASP 400 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rep n GLY 401 N -1.34 0.19 3.69 0.27 0.00 -1.19 -5.00 105.19 101.81 2rep n GLY 401 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2rep n GLY 401 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rep s TYR 402 N -2.03 3.50 0.36 1.61 2.02 -0.88 -4.70 117.35 117.22 2rep s TYR 402 Ca 0.00 1.18 -0.28 0.00 -0.37 0.00 0.00 57.07 57.61 2rep s TYR 402 Cb 0.00 -2.85 -0.10 0.00 -0.40 0.00 0.00 41.96 38.61 2rep s TYR 402 CO 0.00 -0.05 1.30 -2.14 -1.57 0.00 0.00 175.55 173.10 2rep s PRO 403 N 1.35 4.22 -0.10 -1.71 0.02 -1.26 -3.72 135.00 133.79 2rep s PRO 403 Ca 0.36 2.19 0.02 0.00 0.02 0.00 0.00 61.00 63.58 2rep s PRO 403 Cb -0.17 -2.95 0.02 0.00 0.02 0.00 0.00 34.50 31.41 2rep s PRO 403 CO 0.15 -0.29 -0.14 0.08 -0.33 0.00 0.00 177.00 176.47 2rep s VAL 404 N -1.19 1.37 -0.17 3.83 1.01 -1.08 -0.05 120.40 124.12 2rep s VAL 404 Ca 0.52 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 2rep s VAL 404 Cb -0.39 -1.27 0.04 0.00 0.00 0.00 0.00 36.38 34.77 2rep s VAL 404 CO 0.51 0.42 -0.06 0.00 0.00 0.00 0.00 175.10 175.97 2rep s ILE 406 N 1.61 3.26 0.08 0.00 1.01 0.71 -1.54 121.20 126.32 2rep s ILE 406 Ca 0.01 -0.60 0.10 0.00 0.00 0.00 0.00 60.65 60.15 2rep s ILE 406 Cb -0.15 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 2rep s ILE 406 CO -0.08 0.53 -0.26 -0.36 0.00 0.00 0.00 174.94 174.78 2rep s PHE 407 N 0.15 2.34 -0.16 3.97 0.08 -0.11 0.09 117.98 124.34 2rep s PHE 407 Ca -0.06 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.61 2rep s PHE 407 Cb -0.15 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 40.96 2rep s PHE 407 CO 0.04 0.22 -0.15 0.00 -0.10 0.00 0.00 175.22 175.23 2rep s ALA 408 N -0.91 2.49 -0.03 5.36 0.00 0.04 -0.66 121.76 128.05 2rep s ALA 408 Ca 0.13 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 51.05 2rep s ALA 408 Cb -0.10 -1.25 -0.00 0.00 0.00 0.00 0.00 23.12 21.77 2rep s ALA 408 CO 0.04 -0.11 -0.14 -0.47 0.00 0.00 0.00 175.76 175.09 2rep s TYR 409 N 0.93 1.34 0.00 0.00 5.04 0.14 -2.48 117.35 122.32 2rep s TYR 409 Ca -0.03 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.26 2rep s TYR 409 Cb -0.15 -0.91 0.00 0.00 0.35 0.00 0.00 41.96 41.25 2rep s TYR 409 CO -0.02 -0.11 0.00 0.41 -1.34 0.00 0.00 175.55 174.49 2rep n GLY 410 N 3.10 2.77 3.71 8.97 0.00 -1.26 0.74 105.19 123.22 2rep n GLY 410 Ca -0.17 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 2rep n GLY 410 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2rep s GLN 411 N -2.02 1.78 0.20 1.61 -2.07 -1.26 -3.35 119.66 114.55 2rep s GLN 411 Ca 0.00 1.74 -0.32 0.00 -1.82 0.00 0.00 55.36 54.95 2rep s GLN 411 Cb 0.00 -1.79 -0.14 0.00 -1.09 0.00 0.00 33.01 29.98 2rep s GLN 411 CO 0.00 -2.10 1.38 2.41 -1.32 0.00 0.00 175.29 175.66 2rep n THR 412 N -3.16 0.71 0.00 3.63 -1.04 -1.26 -1.71 114.28 111.45 2rep n THR 412 Ca 0.13 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2rep n THR 412 Cb 0.50 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.71 2rep n THR 412 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2rep n GLY 413 N 2.36 0.50 0.17 3.41 0.00 -1.26 -4.97 105.19 105.39 2rep n GLY 413 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 2rep n GLY 413 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2rep h SER 414 N 0.00 0.00 0.00 1.61 4.64 -1.67 -3.47 113.55 114.66 2rep h SER 414 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rep h SER 414 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2rep h SER 414 CO 0.00 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 2rep n GLY 415 N 1.03 1.96 0.31 -0.77 0.00 -1.26 -4.02 105.19 102.44 2rep n GLY 415 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 2rep n GLY 415 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rep h LYS 416 N 0.00 -0.70 -0.24 1.61 1.57 -1.92 -1.20 116.57 115.69 2rep h LYS 416 Ca 0.00 0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 2rep h LYS 416 Cb 0.00 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2rep h LYS 416 CO 0.00 -0.44 -0.41 1.15 -0.57 0.00 0.00 179.45 179.18 2rep h THR 417 N -0.80 1.30 -0.66 -0.16 2.02 -1.96 -1.87 112.91 110.78 2rep h THR 417 Ca -0.07 -1.58 -0.05 0.00 0.77 0.00 0.00 66.41 65.48 2rep h THR 417 Cb 0.59 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 2rep h THR 417 CO 0.12 0.50 0.23 0.15 0.37 0.00 0.00 175.52 176.89 2rep h PHE 418 N 0.48 1.00 -0.62 3.16 3.57 -1.80 -0.96 116.94 121.78 2rep h PHE 418 Ca 0.04 -0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 2rep h PHE 418 Cb 0.92 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 2rep h PHE 418 CO 0.04 0.79 0.03 1.15 -2.23 0.00 0.00 178.31 178.09 2rep h THR 419 N 0.96 1.26 0.00 4.41 2.02 -0.53 -2.02 112.91 119.01 2rep h THR 419 Ca 0.22 -1.12 -0.11 0.00 0.77 0.00 0.00 66.41 66.17 2rep h THR 419 Cb 0.24 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2rep h THR 419 CO -0.01 0.41 -0.79 0.24 0.37 0.00 0.00 175.52 175.74 2rep h MET 420 N 0.98 0.00 0.00 6.66 2.86 -1.08 -2.02 114.93 122.33 2rep h MET 420 Ca 0.18 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.69 2rep h MET 420 Cb 0.52 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 2rep h MET 420 CO 0.03 0.54 -0.73 0.93 1.06 0.00 0.00 176.91 178.73 2rep h GLU 421 N -1.00 0.00 0.00 1.72 5.08 -1.35 0.87 114.58 119.89 2rep h GLU 421 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2rep h GLU 421 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2rep h GLU 421 CO -0.10 1.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.32 2rep n GLY 422 N 1.51 -1.38 3.78 -3.84 0.00 -0.76 -1.05 105.19 103.44 2rep n GLY 422 Ca -0.23 -2.10 -0.31 0.00 0.00 0.00 0.00 46.02 43.38 2rep n GLY 422 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2rep s GLY 423 N 0.00 1.78 0.05 -0.02 0.00 -0.63 -4.57 107.32 103.93 2rep s GLY 423 Ca 0.00 0.29 0.24 0.00 0.00 0.00 0.00 44.72 45.26 2rep s GLY 423 CO 0.00 0.63 1.32 -1.55 0.00 0.00 0.00 173.10 173.50 2rep n PRO 424 N -3.18 0.15 0.00 2.90 -0.04 -1.26 -4.83 135.00 128.74 2rep n PRO 424 Ca 0.09 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2rep n PRO 424 Cb 0.53 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 2rep n PRO 424 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rep n GLY 425 N 1.42 -2.24 1.16 0.55 0.00 -1.26 -5.00 105.19 99.83 2rep n GLY 425 Ca 0.04 -1.46 0.08 0.00 0.00 0.00 0.00 46.02 44.68 2rep n GLY 425 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rep n GLY 426 N 2.74 3.29 3.65 -0.02 0.00 -1.26 -5.00 105.19 108.59 2rep n GLY 426 Ca 0.00 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 2rep n GLY 426 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2rep n ASP 427 N 0.30 4.05 0.21 1.61 -0.08 -1.26 -4.84 116.55 116.54 2rep n ASP 427 Ca 0.21 0.80 0.04 0.00 -1.51 0.00 0.00 54.79 54.33 2rep n ASP 427 Cb 0.83 -1.53 0.45 0.00 2.34 0.00 0.00 41.12 43.21 2rep n ASP 427 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2rep h PRO 428 N 11.30 0.00 0.00 -0.67 0.11 -1.99 -1.72 132.00 139.03 2rep h PRO 428 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2rep h PRO 428 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2rep h PRO 428 CO 0.94 0.26 0.00 1.04 -0.21 0.00 0.00 178.00 180.04 2rep n GLN 429 N -4.18 0.10 -0.06 1.05 6.02 -1.26 -3.17 117.38 115.88 2rep n GLN 429 Ca -0.02 0.16 0.05 0.00 -0.01 0.00 0.00 57.00 57.18 2rep n GLN 429 Cb 0.32 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 30.16 2rep n GLN 429 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2rep n LEU 430 N -1.42 2.23 -4.76 1.08 4.77 -0.65 -4.43 117.00 113.82 2rep n LEU 430 Ca 0.06 -1.36 -0.39 0.00 -0.03 0.00 0.00 56.01 54.29 2rep n LEU 430 Cb 0.19 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 2rep n LEU 430 CO 0.16 0.49 0.94 -1.61 -1.33 0.00 0.00 177.39 176.04 2rep s GLU 431 N -0.92 3.65 0.00 3.23 2.02 -1.19 -1.61 118.70 123.89 2rep s GLU 431 Ca 0.16 2.11 0.00 0.00 0.02 0.00 0.00 54.97 57.25 2rep s GLU 431 Cb 0.10 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.81 2rep s GLU 431 CO 0.14 -0.74 0.00 0.41 0.02 0.00 0.00 175.26 175.09 2rep n GLY 432 N 0.62 1.82 0.18 -1.39 0.00 -0.22 -4.77 105.19 101.43 2rep n GLY 432 Ca 0.07 -1.97 -0.07 0.00 0.00 0.00 0.00 46.02 44.05 2rep n GLY 432 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2rep h LEU 433 N 0.00 0.38 0.96 0.99 3.38 -0.28 -2.82 115.31 117.93 2rep h LEU 433 Ca 0.00 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2rep h LEU 433 Cb 0.00 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.65 2rep h LEU 433 CO 0.00 0.89 -0.46 0.40 0.09 0.00 0.00 178.44 179.36 2rep h ILE 434 N 0.25 0.02 -0.79 1.22 2.04 -1.21 0.55 117.51 119.60 2rep h ILE 434 Ca -0.00 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 2rep h ILE 434 Cb 1.11 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 2rep h ILE 434 CO 0.10 0.00 0.33 1.55 0.00 0.00 0.00 178.15 180.13 2rep h PRO 435 N -1.32 1.16 -0.26 2.37 0.13 -1.79 -2.08 132.00 130.20 2rep h PRO 435 Ca -0.13 -0.20 -0.11 0.00 -0.87 0.00 0.00 66.00 64.70 2rep h PRO 435 Cb 0.99 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 2rep h PRO 435 CO 0.22 0.92 -0.29 0.00 -0.23 0.00 0.00 178.00 178.62 2rep h ARG 436 N 1.14 0.53 -0.46 0.86 3.08 -1.40 -1.53 114.38 116.59 2rep h ARG 436 Ca 0.26 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2rep h ARG 436 Cb 0.19 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2rep h ARG 436 CO -0.03 0.76 0.19 0.00 -1.07 0.00 0.00 179.97 179.83 2rep h ALA 437 N 1.23 0.60 -0.21 0.04 0.00 0.45 -1.90 119.26 119.47 2rep h ALA 437 Ca 0.06 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2rep h ALA 437 Cb 0.74 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2rep h ALA 437 CO 0.06 0.20 -0.37 -0.07 0.00 0.00 0.00 179.25 179.07 2rep h LEU 438 N 0.61 0.68 -0.80 0.00 4.07 -1.30 -1.85 115.31 116.72 2rep h LEU 438 Ca 0.16 -0.53 0.17 0.00 0.08 0.00 0.00 57.88 57.75 2rep h LEU 438 Cb 0.18 -0.20 -0.11 0.00 1.08 0.00 0.00 40.66 41.61 2rep h LEU 438 CO -0.01 1.09 0.30 -0.09 -1.08 0.00 0.00 178.44 178.64 2rep h ARG 439 N 0.30 0.37 0.10 1.13 2.43 -1.24 -0.10 114.38 117.37 2rep h ARG 439 Ca 0.01 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2rep h ARG 439 Cb 0.96 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 2rep h ARG 439 CO 0.08 0.25 -0.05 1.25 -1.51 0.00 0.00 179.97 179.99 2rep h HIS 440 N 0.38 -0.12 -0.74 2.20 2.76 -1.14 -2.51 115.15 115.98 2rep h HIS 440 Ca 0.46 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.72 2rep h HIS 440 Cb 0.79 0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.72 2rep h HIS 440 CO -0.19 0.24 0.39 -0.07 -1.30 0.00 0.00 177.93 177.00 2rep h LEU 441 N -0.50 0.52 -0.47 0.26 3.38 -1.09 -0.41 115.31 116.99 2rep h LEU 441 Ca -0.01 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2rep h LEU 441 Cb 0.42 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2rep h LEU 441 CO 0.02 0.30 0.25 -0.26 0.09 0.00 0.00 178.44 178.84 2rep h PHE 442 N 0.65 0.46 0.00 1.13 0.04 -0.89 0.14 116.94 118.47 2rep h PHE 442 Ca 0.36 0.02 -0.20 0.00 2.80 0.00 0.00 57.97 60.95 2rep h PHE 442 Cb 0.36 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 2rep h PHE 442 CO -0.09 0.24 -0.97 0.66 -0.60 0.00 0.00 178.31 177.55 2rep h SER 443 N 0.49 0.01 -0.16 2.17 4.64 -1.10 -1.10 113.55 118.50 2rep h SER 443 Ca 0.20 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.38 2rep h SER 443 Cb 0.09 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 2rep h SER 443 CO -0.13 0.97 -0.39 0.58 -0.87 0.00 0.00 176.83 176.98 2rep h VAL 444 N 0.00 1.29 -0.29 0.95 2.07 -0.91 -2.01 116.25 117.36 2rep h VAL 444 Ca -0.01 -1.56 -0.07 0.00 0.82 0.00 0.00 66.70 65.88 2rep h VAL 444 Cb 1.71 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 2rep h VAL 444 CO 0.13 0.50 -0.12 0.00 0.02 0.00 0.00 177.57 178.10 2rep h ALA 445 N 1.00 1.26 -0.11 1.67 0.00 -0.48 -1.70 119.26 120.89 2rep h ALA 445 Ca 0.05 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 2rep h ALA 445 Cb 0.92 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2rep h ALA 445 CO 0.08 0.49 -0.74 0.37 0.00 0.00 0.00 179.25 179.45 2rep h GLN 446 N 0.45 0.55 -0.79 0.00 4.15 -1.15 -2.79 115.11 115.53 2rep h GLN 446 Ca 0.09 -0.44 0.10 0.00 0.77 0.00 0.00 58.65 59.16 2rep h GLN 446 Cb 0.48 0.09 -0.07 0.00 0.21 0.00 0.00 27.48 28.19 2rep h GLN 446 CO 0.03 1.07 0.44 0.93 -1.93 0.00 0.00 178.83 179.36 2rep h GLU 447 N 0.37 0.71 0.00 1.69 3.07 -1.01 -2.61 114.58 116.80 2rep h GLU 447 Ca -0.04 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2rep h GLU 447 Cb 1.33 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2rep h GLU 447 CO 0.14 0.47 0.00 1.28 -1.40 0.00 0.00 179.01 179.49 2rep n LEU 448 N -4.78 0.00 0.20 1.33 4.77 -0.67 -3.76 117.00 114.08 2rep n LEU 448 Ca 0.13 0.41 0.11 0.00 -0.03 0.00 0.00 56.01 56.63 2rep n LEU 448 Cb 0.28 -0.41 0.14 0.00 -2.33 0.00 0.00 43.42 41.10 2rep n LEU 448 CO 0.26 -0.04 0.70 0.77 -1.33 0.00 0.00 177.39 177.75 2rep h SER 449 N 0.00 0.00 0.32 -1.43 4.64 -1.19 -2.52 113.55 113.37 2rep h SER 449 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rep h SER 449 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2rep h SER 449 CO 0.00 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 2rep n GLY 450 N 1.12 -1.10 0.57 -0.77 0.00 -1.25 -2.89 105.19 100.88 2rep n GLY 450 Ca 0.03 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 45.95 2rep n GLY 450 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2rep n GLN 451 N -1.17 2.68 0.00 1.61 6.02 -0.97 -5.00 117.38 120.55 2rep n GLN 451 Ca 0.17 -1.93 0.00 0.00 -0.01 0.00 0.00 57.00 55.23 2rep n GLN 451 Cb 0.17 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.19 2rep n GLN 451 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2rep n GLY 452 N 0.43 2.57 3.74 1.08 0.00 -1.14 -4.99 105.19 106.89 2rep n GLY 452 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2rep n GLY 452 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2rep s TRP 453 N -2.35 3.66 -0.09 1.61 0.52 -1.09 -2.04 118.94 119.15 2rep s TRP 453 Ca 0.00 1.68 0.03 0.00 0.02 0.00 0.00 56.10 57.83 2rep s TRP 453 Cb 0.00 -3.22 -0.01 0.00 -1.15 0.00 0.00 33.47 29.09 2rep s TRP 453 CO 0.00 -0.38 -0.20 0.99 0.02 0.00 0.00 176.95 177.38 2rep s THR 454 N -0.50 2.42 0.30 2.01 2.01 -0.49 -3.95 115.64 117.45 2rep s THR 454 Ca 0.47 -0.91 0.11 0.00 0.31 0.00 0.00 61.69 61.67 2rep s THR 454 Cb -0.29 -1.94 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 2rep s THR 454 CO 0.35 0.56 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.41 2rep s TYR 455 N 0.10 2.42 -0.14 4.92 2.02 -1.26 -1.96 117.35 123.46 2rep s TYR 455 Ca -0.10 -0.36 -0.09 0.00 -0.37 0.00 0.00 57.07 56.15 2rep s TYR 455 Cb -0.16 -1.17 0.05 0.00 -0.40 0.00 0.00 41.96 40.28 2rep s TYR 455 CO 0.06 0.64 0.34 0.45 -1.57 0.00 0.00 175.55 175.47 2rep s SER 456 N -3.59 -0.39 -0.05 2.29 0.15 -0.75 -5.00 113.70 106.36 2rep s SER 456 Ca 0.31 0.72 0.03 0.00 0.70 0.00 0.00 55.95 57.71 2rep s SER 456 Cb -0.03 0.65 0.01 0.00 -1.71 0.00 0.00 66.02 64.94 2rep s SER 456 CO 0.17 -0.16 -0.13 -0.36 1.20 0.00 0.00 173.24 173.96 2rep s PHE 457 N 0.87 1.46 -0.03 3.44 0.40 -1.26 -2.07 117.98 120.80 2rep s PHE 457 Ca -0.06 -0.49 0.05 0.00 -0.60 0.00 0.00 56.93 55.83 2rep s PHE 457 Cb -0.06 -1.04 -0.01 0.00 0.51 0.00 0.00 43.02 42.42 2rep s PHE 457 CO -0.06 -0.22 -0.17 0.08 0.70 0.00 0.00 175.22 175.54 2rep s VAL 458 N 0.43 1.38 0.00 -0.44 1.01 -0.78 -1.18 120.40 120.82 2rep s VAL 458 Ca -0.10 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.24 2rep s VAL 458 Cb -0.14 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 2rep s VAL 458 CO 0.03 0.40 -0.23 0.00 0.00 0.00 0.00 175.10 175.29 2rep s ALA 459 N -0.14 1.93 0.26 5.51 0.00 -0.47 -0.64 121.76 128.21 2rep s ALA 459 Ca 0.01 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 2rep s ALA 459 Cb -0.09 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 2rep s ALA 459 CO 0.01 0.47 0.28 0.45 0.00 0.00 0.00 175.76 176.97 2rep s SER 460 N -0.75 0.57 -0.18 0.00 0.15 -0.20 -0.16 113.70 113.14 2rep s SER 460 Ca 0.09 -1.41 -0.05 0.00 0.70 0.00 0.00 55.95 55.28 2rep s SER 460 Cb -0.09 0.50 0.09 0.00 -1.71 0.00 0.00 66.02 64.81 2rep s SER 460 CO -0.00 -1.02 0.33 -0.47 1.20 0.00 0.00 173.24 173.28 2rep s TYR 461 N -3.78 -0.61 0.13 3.44 5.04 -1.26 -1.07 117.35 119.24 2rep s TYR 461 Ca 0.35 1.08 0.04 0.00 -2.44 0.00 0.00 57.07 56.10 2rep s TYR 461 Cb 0.03 0.06 -0.04 0.00 0.35 0.00 0.00 41.96 42.37 2rep s TYR 461 CO 0.16 -0.48 -0.10 0.14 -1.34 0.00 0.00 175.55 173.93 2rep s VAL 462 N 2.50 1.11 -0.19 3.14 -7.23 -0.70 -0.92 120.40 118.11 2rep s VAL 462 Ca 0.03 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.27 2rep s VAL 462 Cb -0.13 -1.72 0.03 0.00 0.56 0.00 0.00 36.38 35.12 2rep s VAL 462 CO -0.12 -0.69 -0.17 -0.70 -0.31 0.00 0.00 175.10 173.12 2rep s GLU 463 N -3.47 2.65 -0.36 4.82 2.12 0.66 -0.44 118.70 124.69 2rep s GLU 463 Ca 0.14 -0.89 -0.16 0.00 0.36 0.00 0.00 54.97 54.42 2rep s GLU 463 Cb 0.01 -2.55 -0.00 0.00 0.26 0.00 0.00 34.13 31.85 2rep s GLU 463 CO 0.00 -0.30 0.39 0.42 -0.54 0.00 0.00 175.26 175.23 2rep s ILE 464 N 1.30 5.14 -0.08 -3.70 1.01 0.62 -1.38 121.20 124.10 2rep s ILE 464 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 60.65 60.65 2rep s ILE 464 Cb -0.15 -3.88 0.03 0.00 0.01 0.00 0.00 42.46 38.48 2rep s ILE 464 CO -0.11 -0.17 0.01 -0.47 0.00 0.00 0.00 174.94 174.20 2rep s TYR 465 N 2.08 0.66 -1.04 3.97 5.04 -0.03 -1.28 117.35 126.75 2rep s TYR 465 Ca 0.12 -0.21 -0.03 0.00 -2.44 0.00 0.00 57.07 54.52 2rep s TYR 465 Cb -0.17 -0.80 0.00 0.00 0.35 0.00 0.00 41.96 41.34 2rep s TYR 465 CO 0.12 -0.35 0.35 -1.71 -1.34 0.00 0.00 175.55 172.63 2rep n ASN 466 N 5.15 -4.52 -0.03 4.32 4.05 -1.26 -0.92 115.26 122.04 2rep n ASN 466 Ca -0.07 -0.17 -0.00 0.00 0.45 0.00 0.00 54.58 54.79 2rep n ASN 466 Cb 0.50 -3.43 -0.00 0.00 1.23 0.00 0.00 39.78 38.08 2rep n ASN 466 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2rep n GLU 467 N -2.83 -0.31 -5.11 1.20 1.02 -1.26 -5.03 120.64 108.31 2rep n GLU 467 Ca -0.09 0.15 -0.29 0.00 -0.02 0.00 0.00 57.16 56.92 2rep n GLU 467 Cb 0.58 -3.44 -0.16 0.00 -0.02 0.00 0.00 31.44 28.40 2rep n GLU 467 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2rep s THR 468 N -1.87 1.77 -0.13 2.62 2.01 -0.10 -5.09 115.64 114.85 2rep s THR 468 Ca 0.00 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.06 2rep s THR 468 Cb 0.00 -1.48 -0.01 0.00 0.01 0.00 0.00 72.50 71.02 2rep s THR 468 CO 0.00 0.50 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.58 2rep s VAL 469 N -0.46 2.74 0.15 3.82 1.01 -1.26 -0.85 120.40 125.56 2rep s VAL 469 Ca 0.07 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.36 2rep s VAL 469 Cb -0.09 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2rep s VAL 469 CO -0.00 0.53 -0.18 -0.13 0.00 0.00 0.00 175.10 175.31 2rep s ARG 470 N 0.48 1.24 -0.25 2.72 3.00 -0.48 -4.70 118.95 120.96 2rep s ARG 470 Ca -0.11 -1.36 -0.14 0.00 0.00 0.00 0.00 55.73 54.12 2rep s ARG 470 Cb -0.16 -1.31 -0.04 0.00 0.00 0.00 0.00 34.95 33.43 2rep s ARG 470 CO 0.05 0.27 0.33 0.34 0.00 0.00 0.00 175.30 176.29 2rep s ASP 471 N -2.54 6.25 0.07 0.23 2.15 -1.26 -0.25 116.67 121.33 2rep s ASP 471 Ca 0.14 0.29 0.28 0.00 0.43 0.00 0.00 52.55 53.69 2rep s ASP 471 Cb -0.06 -2.19 1.10 0.00 -0.30 0.00 0.00 42.92 41.46 2rep s ASP 471 CO 0.06 -0.11 1.88 0.18 -0.17 0.00 0.00 175.17 177.01 2rep n LEU 472 N 4.96 0.25 -1.33 -1.34 4.77 -0.09 -3.08 117.00 121.13 2rep n LEU 472 Ca -0.10 0.52 0.09 0.00 -0.03 0.00 0.00 56.01 56.50 2rep n LEU 472 Cb 0.51 -0.44 0.31 0.00 -2.33 0.00 0.00 43.42 41.47 2rep n LEU 472 CO 0.37 -0.06 0.77 0.18 -1.33 0.00 0.00 177.39 177.32 2rep n LEU 473 N -1.74 4.26 -4.71 2.23 4.77 -1.25 -3.21 117.00 117.35 2rep n LEU 473 Ca 0.06 -2.35 -0.43 0.00 -0.03 0.00 0.00 56.01 53.26 2rep n LEU 473 Cb 0.37 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 2rep n LEU 473 CO 0.28 0.82 1.26 0.00 -1.33 0.00 0.00 177.39 178.42 2rep n ALA 474 N 0.97 2.23 -0.27 -1.18 0.00 -1.18 -4.81 120.51 116.28 2rep n ALA 474 Ca 0.23 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.08 2rep n ALA 474 Cb 0.77 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.78 2rep n ALA 474 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2rep n THR 475 N 3.22 0.00 0.36 0.00 -2.24 -1.26 -4.97 114.28 109.39 2rep n THR 475 Ca 0.14 0.26 -0.19 0.00 -2.27 0.00 0.00 64.05 62.00 2rep n THR 475 Cb 0.33 -1.23 -0.10 0.00 -2.10 0.00 0.00 70.33 67.24 2rep n THR 475 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2rep h GLY 476 N 0.00 -1.31 0.00 3.38 0.00 -2.05 -3.54 103.07 99.56 2rep h GLY 476 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.90 2rep h GLY 476 CO 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 176.54 176.13 2rep s GLU 486 N 0.00 0.77 -0.52 0.00 4.04 -1.24 -4.25 118.70 117.50 2rep s GLU 486 Ca 0.00 -1.01 -0.25 0.00 0.04 0.00 0.00 54.97 53.76 2rep s GLU 486 Cb 0.00 -0.58 0.04 0.00 0.02 0.00 0.00 34.13 33.60 2rep s GLU 486 CO 0.00 0.11 0.95 0.42 -1.84 0.00 0.00 175.26 174.90 2rep s ILE 487 N -1.82 4.39 0.39 1.83 1.01 -1.26 -0.09 121.20 125.65 2rep s ILE 487 Ca -0.00 0.49 0.04 0.00 0.00 0.00 0.00 60.65 61.18 2rep s ILE 487 Cb -0.07 -4.51 -0.05 0.00 0.01 0.00 0.00 42.46 37.84 2rep s ILE 487 CO 0.01 -1.03 0.06 -0.13 0.00 0.00 0.00 174.94 173.84 2rep s ARG 488 N 3.95 1.87 0.41 2.79 3.00 0.72 -4.95 118.95 126.73 2rep s ARG 488 Ca 0.34 -2.09 -0.03 0.00 0.00 0.00 0.00 55.73 53.94 2rep s ARG 488 Cb -0.11 -1.07 0.09 0.00 0.00 0.00 0.00 34.95 33.85 2rep s ARG 488 CO 0.22 -0.25 0.56 0.54 0.00 0.00 0.00 175.30 176.37 2rep n ARG 489 N -0.89 -0.07 0.00 3.54 5.12 -1.26 -0.57 116.66 122.52 2rep n ARG 489 Ca -0.06 -1.25 0.00 0.00 -1.93 0.00 0.00 57.85 54.60 2rep n ARG 489 Cb 0.66 -0.46 0.00 0.00 -1.16 0.00 0.00 32.46 31.50 2rep n ARG 489 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2rep n ALA 490 N -3.12 0.71 0.06 7.54 0.00 -1.12 -4.65 120.51 119.92 2rep n ALA 490 Ca -0.09 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.46 2rep n ALA 490 Cb 0.30 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.67 2rep n ALA 490 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2rep n SER 494 N -1.08 0.47 -0.11 0.00 2.88 -1.26 -5.04 113.62 109.48 2rep n SER 494 Ca 0.00 0.18 -0.19 0.00 -1.33 0.00 0.00 58.87 57.53 2rep n SER 494 Cb 0.00 1.13 -0.09 0.00 -0.75 0.00 0.00 64.21 64.51 2rep n SER 494 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2rep n GLU 495 N -2.48 0.48 -1.24 -1.46 0.00 -1.26 -5.03 120.64 109.66 2rep n GLU 495 Ca -0.02 0.16 -0.29 0.00 0.00 0.00 0.00 57.16 57.02 2rep n GLU 495 Cb 0.56 -1.34 0.18 0.00 0.00 0.00 0.00 31.44 30.84 2rep n GLU 495 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2rep s GLU 496 N -2.40 0.19 -0.00 5.31 8.01 -1.26 -5.05 118.70 123.49 2rep s GLU 496 Ca -0.29 0.32 0.05 0.00 0.01 0.00 0.00 54.97 55.06 2rep s GLU 496 Cb 0.09 -1.73 -0.01 0.00 -4.31 0.00 0.00 34.13 28.18 2rep s GLU 496 CO 0.43 -2.85 -0.15 -0.51 0.01 0.00 0.00 175.26 172.19 2rep s LEU 497 N -6.48 2.05 0.19 1.80 1.43 -1.26 -2.81 118.68 113.60 2rep s LEU 497 Ca 0.66 -0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 53.45 2rep s LEU 497 Cb -0.16 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 2rep s LEU 497 CO 0.56 0.16 0.14 0.42 0.23 0.00 0.00 176.35 177.86 2rep s THR 498 N -0.42 0.02 -0.33 5.49 -4.23 0.26 -4.99 115.64 111.45 2rep s THR 498 Ca 0.05 -1.95 -0.10 0.00 -1.18 0.00 0.00 61.69 58.51 2rep s THR 498 Cb -0.06 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.37 2rep s THR 498 CO -0.00 -0.07 0.16 -0.69 -0.54 0.00 0.00 174.62 173.48 2rep s VAL 499 N -4.14 4.51 0.79 2.29 1.01 -1.26 -0.20 120.40 123.40 2rep s VAL 499 Ca 0.36 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 2rep s VAL 499 Cb 0.07 -3.37 0.07 0.00 0.00 0.00 0.00 36.38 33.15 2rep s VAL 499 CO 0.10 -0.03 1.19 0.42 0.00 0.00 0.00 175.10 176.78 2rep s THR 500 N 1.58 2.20 -1.45 3.92 -4.23 0.88 -3.61 115.64 114.93 2rep s THR 500 Ca 0.03 0.09 -0.09 0.00 -1.18 0.00 0.00 61.69 60.54 2rep s THR 500 Cb -0.18 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.21 2rep s THR 500 CO 0.06 -0.06 0.75 0.59 -0.54 0.00 0.00 174.62 175.42 2rep n ASN 501 N -3.23 -5.06 -3.94 3.99 3.02 -1.26 -3.61 115.26 105.18 2rep n ASN 501 Ca 0.13 -0.50 -0.16 0.00 -0.03 0.00 0.00 54.58 54.02 2rep n ASN 501 Cb 0.51 -4.08 -0.15 0.00 -0.61 0.00 0.00 39.78 35.45 2rep n ASN 501 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rep s ALA 502 N -3.16 0.46 0.37 5.41 0.00 -1.24 -4.83 121.76 118.77 2rep s ALA 502 Ca 0.48 -0.18 -0.27 0.00 0.00 0.00 0.00 51.96 51.99 2rep s ALA 502 Cb -0.23 -0.16 -0.09 0.00 0.00 0.00 0.00 23.12 22.63 2rep s ALA 502 CO 0.59 0.08 1.26 1.03 0.00 0.00 0.00 175.76 178.72 2rep s ARG 503 N 0.07 4.18 -0.27 0.00 0.52 -1.26 -5.00 118.95 117.18 2rep s ARG 503 Ca -0.00 2.07 0.01 0.00 -0.52 0.00 0.00 55.73 57.29 2rep s ARG 503 Cb -0.04 -2.89 0.08 0.00 0.52 0.00 0.00 34.95 32.62 2rep s ARG 503 CO -0.00 -0.29 0.02 0.71 0.02 0.00 0.00 175.30 175.76 2rep s TYR 504 N -1.24 2.32 -0.28 -0.53 2.02 -1.26 -4.58 117.35 113.80 2rep s TYR 504 Ca 0.53 -1.89 -0.04 0.00 -0.37 0.00 0.00 57.07 55.30 2rep s TYR 504 Cb -0.36 -1.80 0.02 0.00 -0.40 0.00 0.00 41.96 39.41 2rep s TYR 504 CO 0.47 -0.82 0.01 0.08 -1.57 0.00 0.00 175.55 173.72 2rep s VAL 505 N 1.41 3.37 0.29 0.71 1.01 0.77 -4.80 120.40 123.17 2rep s VAL 505 Ca 0.02 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 2rep s VAL 505 Cb -0.18 -2.75 -0.11 0.00 0.00 0.00 0.00 36.38 33.34 2rep s VAL 505 CO -0.12 0.11 1.47 -2.84 0.00 0.00 0.00 175.10 173.72 2rep s PRO 506 N 1.39 4.22 0.08 2.72 0.02 -1.26 -1.37 135.00 140.80 2rep s PRO 506 Ca 0.01 2.41 0.05 0.00 0.02 0.00 0.00 61.00 63.48 2rep s PRO 506 Cb -0.17 -3.06 -0.03 0.00 0.02 0.00 0.00 34.50 31.26 2rep s PRO 506 CO -0.01 -0.46 -0.12 0.14 -0.33 0.00 0.00 177.00 176.22 2rep s VAL 507 N -0.36 1.03 0.00 3.83 -7.23 -0.33 -4.92 120.40 112.42 2rep s VAL 507 Ca 0.58 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 2rep s VAL 507 Cb -0.44 -1.17 0.00 0.00 0.56 0.00 0.00 36.38 35.33 2rep s VAL 507 CO 0.49 -0.37 0.20 -1.54 -0.31 0.00 0.00 175.10 173.57 2rep n SER 508 N 0.98 0.00 -3.75 4.85 3.41 -1.26 -4.30 113.62 113.55 2rep n SER 508 Ca -0.19 -1.00 -0.09 0.00 -0.26 0.00 0.00 58.87 57.33 2rep n SER 508 Cb 0.56 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 2rep n SER 508 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rep h GLU 510 N 2.07 0.85 -0.45 0.00 5.08 -1.96 -2.55 114.58 117.62 2rep h GLU 510 Ca -0.25 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 2rep h GLU 510 Cb 1.27 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 2rep h GLU 510 CO 0.31 0.62 0.19 0.87 -1.00 0.00 0.00 179.01 180.00 2rep h LYS 511 N 0.86 0.64 -0.19 2.33 1.57 -1.99 0.24 116.57 120.03 2rep h LYS 511 Ca 0.22 -0.08 -0.17 0.00 -1.87 0.00 0.00 60.65 58.75 2rep h LYS 511 Cb 0.01 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2rep h LYS 511 CO -0.04 0.52 -0.55 0.93 -0.57 0.00 0.00 179.45 179.74 2rep h GLU 512 N 0.64 0.72 -0.09 3.15 5.08 -1.88 -1.05 114.58 121.14 2rep h GLU 512 Ca 0.16 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 2rep h GLU 512 Cb 0.11 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2rep h GLU 512 CO -0.02 1.13 0.03 0.28 -1.00 0.00 0.00 179.01 179.44 2rep h VAL 513 N 0.42 1.15 -0.61 3.13 2.07 -1.17 -2.74 116.25 118.50 2rep h VAL 513 Ca -0.01 -0.46 0.11 0.00 0.82 0.00 0.00 66.70 67.16 2rep h VAL 513 Cb 1.17 1.30 -0.08 0.00 -1.52 0.00 0.00 31.29 32.16 2rep h VAL 513 CO 0.12 0.13 0.17 0.44 0.02 0.00 0.00 177.57 178.45 2rep h ASP 514 N -0.03 0.08 -0.92 0.57 3.32 -0.56 -1.63 116.42 117.26 2rep h ASP 514 Ca 0.03 0.10 0.20 0.00 0.02 0.00 0.00 57.03 57.38 2rep h ASP 514 Cb 0.18 0.12 -0.11 0.00 0.22 0.00 0.00 39.33 39.74 2rep h ASP 514 CO -0.00 0.05 0.49 0.00 -1.72 0.00 0.00 179.24 178.05 2rep h ALA 515 N 1.47 1.50 -0.10 3.45 0.00 -0.92 0.27 119.26 124.92 2rep h ALA 515 Ca 0.32 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 2rep h ALA 515 Cb 0.46 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2rep h ALA 515 CO -0.38 -0.20 -0.33 -0.07 0.00 0.00 0.00 179.25 178.28 2rep h LEU 516 N 0.57 0.46 -0.76 0.00 3.38 -1.02 -1.06 115.31 116.87 2rep h LEU 516 Ca 0.55 -0.61 0.08 0.00 0.09 0.00 0.00 57.88 57.99 2rep h LEU 516 Cb 0.94 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.49 2rep h LEU 516 CO -0.44 0.99 0.43 -0.07 0.09 0.00 0.00 178.44 179.44 2rep h LEU 517 N -0.05 0.62 -1.06 1.67 3.38 -1.13 0.78 115.31 119.52 2rep h LEU 517 Ca -0.01 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2rep h LEU 517 Cb 0.96 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2rep h LEU 517 CO 0.07 0.37 -0.14 0.45 0.09 0.00 0.00 178.44 179.28 2rep h HIS 518 N 0.75 0.54 -0.50 1.13 3.86 -0.76 -1.60 115.15 118.56 2rep h HIS 518 Ca 0.36 -0.09 -0.10 0.00 -1.16 0.00 0.00 60.37 59.38 2rep h HIS 518 Cb 0.29 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 2rep h HIS 518 CO -0.07 0.62 -0.06 1.25 0.86 0.00 0.00 177.93 180.53 2rep h LEU 519 N 0.46 0.92 -0.67 2.43 5.85 -0.59 -1.32 115.31 122.39 2rep h LEU 519 Ca 0.08 -0.34 0.13 0.00 0.84 0.00 0.00 57.88 58.59 2rep h LEU 519 Cb 0.52 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.21 2rep h LEU 519 CO 0.03 1.03 0.21 0.00 -0.34 0.00 0.00 178.44 179.37 2rep h ALA 520 N 0.91 0.88 -0.23 1.25 0.00 -0.45 0.11 119.26 121.73 2rep h ALA 520 Ca 0.13 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 2rep h ALA 520 Cb 0.60 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2rep h ALA 520 CO 0.04 -0.26 -0.41 0.00 0.00 0.00 0.00 179.25 178.62 2rep h ARG 521 N 0.34 0.53 -0.13 0.00 3.08 -0.93 -1.64 114.38 115.63 2rep h ARG 521 Ca 0.36 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 2rep h ARG 521 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2rep h ARG 521 CO -0.41 0.85 0.05 0.37 -1.07 0.00 0.00 179.97 179.76 2rep h GLN 522 N 0.44 0.20 -0.67 0.04 4.15 -0.38 -1.33 115.11 117.56 2rep h GLN 522 Ca 0.04 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 2rep h GLN 522 Cb 0.90 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.53 2rep h GLN 522 CO 0.08 0.31 0.09 -0.91 -1.93 0.00 0.00 178.83 176.47 2rep h ASN 523 N 0.05 1.08 -0.98 -0.69 2.35 -0.66 0.19 115.58 116.91 2rep h ASN 523 Ca 0.04 -0.27 0.03 0.00 -0.55 0.00 0.00 56.30 55.56 2rep h ASN 523 Cb 0.19 -0.29 -0.06 0.00 0.05 0.00 0.00 38.32 38.22 2rep h ASN 523 CO -0.00 1.07 0.64 0.03 -1.65 0.00 0.00 177.43 177.53 2rep h ARG 524 N 1.04 1.21 -0.32 0.81 3.08 -1.31 -2.41 114.38 116.47 2rep h ARG 524 Ca 0.20 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 2rep h ARG 524 Cb 0.47 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2rep h ARG 524 CO 0.02 0.80 -0.19 0.00 -1.07 0.00 0.00 179.97 179.53 2rep h ALA 525 N 1.42 0.46 -0.57 0.04 0.00 -0.21 -3.10 119.26 117.30 2rep h ALA 525 Ca 0.39 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2rep h ALA 525 Cb -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2rep h ALA 525 CO -0.12 0.39 0.35 0.28 0.00 0.00 0.00 179.25 180.16 2rep h VAL 526 N 0.46 1.16 0.00 0.00 2.07 -0.53 -3.13 116.25 116.28 2rep h VAL 526 Ca 0.07 -0.34 -0.61 0.00 0.82 0.00 0.00 66.70 66.64 2rep h VAL 526 Cb 0.73 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2rep h VAL 526 CO 0.05 0.16 2.91 0.00 0.02 0.00 0.00 177.57 180.71 2rep n ALA 527 N -2.45 5.08 0.00 1.67 0.00 -0.92 -5.10 120.51 118.79 2rep n ALA 527 Ca 0.05 -3.20 0.00 0.00 0.00 0.00 0.00 53.44 50.30 2rep n ALA 527 Cb 0.07 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.11 2rep n ALA 527 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2rep n ARG 528 N 5.44 0.00 0.00 0.00 1.74 -1.19 -4.99 116.66 117.66 2rep n ARG 528 Ca 0.55 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 2rep n ARG 528 Cb 0.30 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.74 2rep n ARG 528 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2rep n ARG 534 N 0.00 0.00 0.24 5.56 0.63 -1.26 -4.71 116.66 117.12 2rep n ARG 534 Ca 0.00 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.02 2rep n ARG 534 Cb 0.00 0.00 0.60 0.00 0.45 0.00 0.00 32.46 33.51 2rep n ARG 534 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2rep h SER 535 N 0.00 0.00 0.18 6.15 4.64 -1.98 -0.43 113.55 122.12 2rep h SER 535 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2rep h SER 535 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2rep h SER 535 CO 0.00 0.18 -0.28 0.77 -0.87 0.00 0.00 176.83 176.64 2rep h SER 536 N 0.00 0.16 -0.32 4.97 4.64 -2.00 -3.02 113.55 117.97 2rep h SER 536 Ca -0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2rep h SER 536 Cb 0.41 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2rep h SER 536 CO 0.02 0.44 0.00 0.54 -0.87 0.00 0.00 176.83 176.96 2rep n ARG 537 N -4.16 2.08 -4.13 4.77 1.74 -0.20 -1.77 116.66 115.00 2rep n ARG 537 Ca -0.01 -1.65 -0.15 0.00 -0.77 0.00 0.00 57.85 55.27 2rep n ARG 537 Cb 0.36 -1.43 -0.12 0.00 -1.02 0.00 0.00 32.46 30.25 2rep n ARG 537 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2rep s SER 538 N -1.39 1.09 0.03 0.55 1.04 -1.01 -4.79 113.70 109.22 2rep s SER 538 Ca 0.34 -0.50 -0.26 0.00 0.48 0.00 0.00 55.95 56.01 2rep s SER 538 Cb 0.19 -0.01 -0.05 0.00 0.10 0.00 0.00 66.02 66.25 2rep s SER 538 CO 0.27 -0.12 0.80 -1.00 0.98 0.00 0.00 173.24 174.17 2rep s HIS 539 N -1.16 3.72 -0.09 5.02 3.76 -0.40 -3.53 115.29 122.61 2rep s HIS 539 Ca -0.06 1.50 0.05 0.00 -0.15 0.00 0.00 55.06 56.40 2rep s HIS 539 Cb -0.09 -2.87 -0.00 0.00 1.11 0.00 0.00 32.58 30.72 2rep s HIS 539 CO 0.01 0.21 -0.24 -1.54 -0.85 0.00 0.00 174.74 172.33 2rep s SER 540 N 0.17 3.09 -0.29 1.40 1.04 -0.54 -0.28 113.70 118.29 2rep s SER 540 Ca 0.41 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 56.31 2rep s SER 540 Cb -0.20 -1.22 0.08 0.00 0.10 0.00 0.00 66.02 64.78 2rep s SER 540 CO 0.24 0.19 0.02 -0.69 0.98 0.00 0.00 173.24 173.97 2rep s VAL 541 N 0.17 1.66 -0.27 5.02 1.01 0.42 -1.26 120.40 127.15 2rep s VAL 541 Ca -0.14 -1.69 -0.13 0.00 0.00 0.00 0.00 61.98 60.03 2rep s VAL 541 Cb -0.17 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2rep s VAL 541 CO 0.07 -0.42 0.28 0.12 0.00 0.00 0.00 175.10 175.16 2rep s PHE 542 N 1.26 3.23 0.02 5.22 5.36 -0.36 -1.72 117.98 130.99 2rep s PHE 542 Ca 0.04 0.27 0.08 0.00 -0.96 0.00 0.00 56.93 56.36 2rep s PHE 542 Cb -0.19 -2.48 -0.02 0.00 -0.34 0.00 0.00 43.02 39.99 2rep s PHE 542 CO -0.12 -0.20 -0.24 -0.65 -1.46 0.00 0.00 175.22 172.56 2rep s GLN 543 N 1.92 1.78 -0.20 10.12 -0.21 -0.23 -0.03 119.66 132.79 2rep s GLN 543 Ca 0.11 -0.97 -0.01 0.00 0.02 0.00 0.00 55.36 54.51 2rep s GLN 543 Cb -0.16 -1.84 0.06 0.00 1.00 0.00 0.00 33.01 32.07 2rep s GLN 543 CO 0.10 0.49 -0.01 -1.17 -2.12 0.00 0.00 175.29 172.58 2rep s LEU 544 N -0.95 1.77 -0.22 2.90 2.96 0.50 -1.03 118.68 124.61 2rep s LEU 544 Ca 0.10 -0.92 -0.29 0.00 -0.22 0.00 0.00 54.13 52.79 2rep s LEU 544 Cb -0.09 -0.86 -0.02 0.00 0.50 0.00 0.00 46.19 45.72 2rep s LEU 544 CO 0.01 -0.26 1.41 -1.10 -1.32 0.00 0.00 176.35 175.09 2rep s GLN 545 N 1.65 4.00 -0.12 1.98 1.11 0.18 -0.82 119.66 127.64 2rep s GLN 545 Ca -0.03 1.57 -0.05 0.00 0.01 0.00 0.00 55.36 56.86 2rep s GLN 545 Cb -0.17 -3.90 -0.04 0.00 -1.01 0.00 0.00 33.01 27.89 2rep s GLN 545 CO -0.07 -1.02 0.08 0.42 0.01 0.00 0.00 175.29 174.70 2rep s ILE 546 N 4.32 4.95 -0.02 1.08 1.01 -0.57 -1.86 121.20 130.11 2rep s ILE 546 Ca 0.62 0.00 0.01 0.00 0.00 0.00 0.00 60.65 61.28 2rep s ILE 546 Cb -0.22 -3.15 0.02 0.00 0.01 0.00 0.00 42.46 39.12 2rep s ILE 546 CO 0.23 0.58 -0.01 -0.44 0.00 0.00 0.00 174.94 175.30 2rep s SER 547 N -0.70 0.40 0.18 3.58 0.01 -0.88 -2.42 113.70 113.87 2rep s SER 547 Ca 0.12 -0.04 0.08 0.00 1.31 0.00 0.00 55.95 57.43 2rep s SER 547 Cb -0.12 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 2rep s SER 547 CO 0.03 -0.05 -0.17 -0.83 0.41 0.00 0.00 173.24 172.63 2rep s GLY 548 N 0.61 1.41 -0.20 3.44 0.00 -1.21 -1.81 107.32 109.56 2rep s GLY 548 Ca -0.06 -1.54 -0.11 0.00 0.00 0.00 0.00 44.72 43.01 2rep s GLY 548 CO -0.01 -1.61 0.48 1.85 0.00 0.00 0.00 173.10 173.81 2rep s GLU 549 N -3.05 0.46 -0.01 2.90 2.12 -0.83 -0.54 118.70 119.76 2rep s GLU 549 Ca 0.18 0.90 -0.15 0.00 0.36 0.00 0.00 54.97 56.26 2rep s GLU 549 Cb -0.04 0.03 -0.06 0.00 0.26 0.00 0.00 34.13 34.32 2rep s GLU 549 CO 0.07 -0.16 0.40 -1.58 -0.54 0.00 0.00 175.26 173.45 2rep s HIS 550 N 1.50 3.71 -2.24 5.30 5.65 -0.25 -1.40 115.29 127.56 2rep s HIS 550 Ca -0.09 0.97 0.19 0.00 0.25 0.00 0.00 55.06 56.38 2rep s HIS 550 Cb -0.08 -2.29 0.65 0.00 -1.18 0.00 0.00 32.58 29.68 2rep s HIS 550 CO -0.14 0.62 1.49 -1.13 -0.65 0.00 0.00 174.74 174.92 2rep n SER 551 N 1.93 1.85 0.00 9.88 3.41 -0.87 -4.42 113.62 125.41 2rep n SER 551 Ca -0.14 -1.78 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 2rep n SER 551 Cb 0.52 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 2rep n SER 551 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2rep n SER 552 N 0.45 0.00 -4.81 4.04 3.41 -1.26 -5.06 113.62 110.39 2rep n SER 552 Ca 0.16 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.44 2rep n SER 552 Cb 0.35 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 2rep n SER 552 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2rep s ARG 553 N -1.14 3.83 -0.47 4.33 0.52 -1.26 -4.98 118.95 119.77 2rep s ARG 553 Ca 0.00 1.18 -0.06 0.00 -0.52 0.00 0.00 55.73 56.33 2rep s ARG 553 Cb 0.00 -2.11 -0.10 0.00 0.52 0.00 0.00 34.95 33.26 2rep s ARG 553 CO 0.00 -0.38 3.14 0.41 0.02 0.00 0.00 175.30 178.49 2rep n GLY 554 N -0.81 3.82 3.67 -3.53 0.00 -1.26 -4.46 105.19 102.61 2rep n GLY 554 Ca 0.08 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 2rep n GLY 554 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rep s LEU 555 N -0.94 3.45 0.06 0.99 1.43 -1.26 -5.01 118.68 117.40 2rep s LEU 555 Ca 0.63 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 2rep s LEU 555 Cb 0.31 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 2rep s LEU 555 CO -0.09 0.27 -0.05 -1.10 0.23 0.00 0.00 176.35 175.61 2rep s GLN 556 N -1.59 0.60 0.31 1.70 -0.21 -1.26 -1.09 119.66 118.11 2rep s GLN 556 Ca 0.20 -1.07 0.07 0.00 0.02 0.00 0.00 55.36 54.58 2rep s GLN 556 Cb -0.11 0.02 -0.06 0.00 1.00 0.00 0.00 33.01 33.85 2rep s GLN 556 CO 0.10 -0.05 -0.06 0.00 -2.12 0.00 0.00 175.29 173.16 2rep s GLY 558 N -3.50 -0.20 -0.30 0.00 0.00 -1.26 -3.30 107.32 98.76 2rep s GLY 558 Ca 0.31 2.67 -0.17 0.00 0.00 0.00 0.00 44.72 47.53 2rep s GLY 558 CO 0.14 2.01 1.28 0.00 0.00 0.00 0.00 173.10 176.53 2rep s ALA 559 N 0.56 -2.61 0.31 3.20 0.00 -1.01 -4.12 121.76 118.08 2rep s ALA 559 Ca -0.00 1.94 -0.25 0.00 0.00 0.00 0.00 51.96 53.65 2rep s ALA 559 Cb -0.05 -1.96 -0.10 0.00 0.00 0.00 0.00 23.12 21.02 2rep s ALA 559 CO -0.08 -0.28 0.91 -1.25 0.00 0.00 0.00 175.76 175.06 2rep s PRO 560 N 0.90 4.52 -0.13 0.00 0.04 -1.26 -1.51 135.00 137.56 2rep s PRO 560 Ca -0.06 1.25 -0.00 0.00 0.04 0.00 0.00 61.00 62.23 2rep s PRO 560 Cb -0.03 -2.79 -0.01 0.00 0.04 0.00 0.00 34.50 31.71 2rep s PRO 560 CO -0.11 0.29 -0.13 -1.17 0.04 0.00 0.00 177.00 175.92 2rep s LEU 561 N -2.08 2.73 -0.10 -3.56 2.96 -0.00 -2.62 118.68 116.01 2rep s LEU 561 Ca 0.49 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 2rep s LEU 561 Cb -0.18 -1.62 0.02 0.00 0.50 0.00 0.00 46.19 44.92 2rep s LEU 561 CO 0.23 0.16 -0.09 -0.44 -1.32 0.00 0.00 176.35 174.90 2rep s SER 562 N 0.36 2.04 -0.27 3.68 0.01 -0.56 -0.37 113.70 118.59 2rep s SER 562 Ca -0.11 -0.30 -0.04 0.00 1.31 0.00 0.00 55.95 56.82 2rep s SER 562 Cb -0.16 -0.83 0.02 0.00 0.21 0.00 0.00 66.02 65.27 2rep s SER 562 CO 0.06 -0.08 0.01 -0.76 0.41 0.00 0.00 173.24 172.87 2rep s LEU 563 N 1.42 3.56 -0.17 2.44 1.02 0.95 -0.21 118.68 127.70 2rep s LEU 563 Ca -0.00 -0.86 -0.00 0.00 0.02 0.00 0.00 54.13 53.28 2rep s LEU 563 Cb -0.13 -1.76 -0.00 0.00 0.02 0.00 0.00 46.19 44.32 2rep s LEU 563 CO -0.05 -0.17 -0.15 -0.69 0.02 0.00 0.00 176.35 175.31 2rep s VAL 564 N 1.39 2.68 -0.61 -1.59 1.01 0.11 -1.22 120.40 122.17 2rep s VAL 564 Ca 0.00 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 2rep s VAL 564 Cb -0.17 -2.14 0.16 0.00 0.00 0.00 0.00 36.38 34.22 2rep s VAL 564 CO -0.01 0.51 0.47 -0.62 0.00 0.00 0.00 175.10 175.45 2rep s ASP 565 N 0.94 5.76 0.85 3.32 2.15 -0.39 -0.78 116.67 128.52 2rep s ASP 565 Ca -0.03 -2.44 -0.11 0.00 0.43 0.00 0.00 52.55 50.41 2rep s ASP 565 Cb -0.15 -1.99 0.10 0.00 -0.30 0.00 0.00 42.92 40.58 2rep s ASP 565 CO -0.02 -0.54 1.10 -0.76 -0.17 0.00 0.00 175.17 174.77 2rep s LEU 566 N 0.57 2.65 0.69 -1.34 1.43 -1.03 -1.47 118.68 120.17 2rep s LEU 566 Ca 0.13 1.73 -0.17 0.00 -1.03 0.00 0.00 54.13 54.79 2rep s LEU 566 Cb -0.20 -4.26 0.01 0.00 0.03 0.00 0.00 46.19 41.77 2rep s LEU 566 CO -0.04 -2.46 1.22 0.00 0.23 0.00 0.00 176.35 175.30 2rep n ALA 567 N -3.79 0.67 -1.73 4.21 0.00 -1.23 -4.73 120.51 113.91 2rep n ALA 567 Ca 0.08 -0.10 -0.36 0.00 0.00 0.00 0.00 53.44 53.07 2rep n ALA 567 Cb 0.54 -2.27 0.03 0.00 0.00 0.00 0.00 19.45 17.75 2rep n ALA 567 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2rep s GLY 568 N -1.57 2.69 -0.67 0.00 0.00 -0.73 -4.72 107.32 102.33 2rep s GLY 568 Ca 0.79 0.97 -0.08 0.00 0.00 0.00 0.00 44.72 46.41 2rep s GLY 568 CO 0.44 1.36 0.54 -1.35 0.00 0.00 0.00 173.10 174.09 2rep s SER 569 N -1.66 5.83 0.00 1.64 1.04 -1.21 -4.86 113.70 114.47 2rep s SER 569 Ca 0.77 -2.65 0.00 0.00 0.48 0.00 0.00 55.95 54.55 2rep s SER 569 Cb -0.29 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2rep s SER 569 CO 0.33 -0.49 0.27 -1.84 0.98 0.00 0.00 173.24 172.50 2rep n GLU 570 N 3.88 0.00 0.00 4.02 0.00 -1.26 -4.51 120.64 122.77 2rep n GLU 570 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.23 2rep n GLU 570 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.85 2rep n GLU 570 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2rep n SER 595 N 0.00 0.00 0.16 -1.84 3.41 -1.26 -5.19 113.62 108.90 2rep n SER 595 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 2rep n SER 595 Cb 0.37 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.65 2rep n SER 595 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2rep h LEU 596 N 0.00 0.07 -0.76 1.04 3.38 -1.97 -2.53 115.31 114.53 2rep h LEU 596 Ca 0.00 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2rep h LEU 596 Cb 0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2rep h LEU 596 CO 0.00 0.42 0.28 -1.28 0.09 0.00 0.00 178.44 177.95 2rep h SER 597 N 0.06 1.07 -0.36 -0.43 0.87 -2.02 -2.73 113.55 110.01 2rep h SER 597 Ca 0.01 -0.19 0.03 0.00 -1.23 0.00 0.00 61.79 60.41 2rep h SER 597 Cb 0.65 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 2rep h SER 597 CO 0.05 0.97 0.15 0.74 -0.53 0.00 0.00 176.83 178.21 2rep h THR 598 N 1.11 0.94 -0.51 2.23 2.02 -1.86 -1.80 112.91 115.04 2rep h THR 598 Ca 0.25 -0.11 0.09 0.00 0.77 0.00 0.00 66.41 67.41 2rep h THR 598 Cb 0.25 0.59 -0.08 0.00 -1.74 0.00 0.00 68.15 67.17 2rep h THR 598 CO -0.02 0.06 0.05 0.25 0.37 0.00 0.00 175.52 176.24 2rep h LEU 599 N 0.33 -0.11 0.05 2.58 5.85 -1.37 0.26 115.31 122.90 2rep h LEU 599 Ca 0.16 0.11 0.02 0.00 0.84 0.00 0.00 57.88 59.01 2rep h LEU 599 Cb 0.10 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 2rep h LEU 599 CO -0.14 -0.03 -0.45 1.23 -0.34 0.00 0.00 178.44 178.72 2rep h GLY 600 N 0.18 -0.89 2.00 3.75 0.00 -1.17 0.18 103.07 107.12 2rep h GLY 600 Ca 0.26 0.55 -0.01 0.00 0.00 0.00 0.00 47.33 48.13 2rep h GLY 600 CO -0.38 -0.26 -0.04 0.17 0.00 0.00 0.00 176.54 176.03 2rep h LEU 601 N -0.64 0.00 0.11 3.11 8.10 -0.61 -0.04 115.31 125.34 2rep h LEU 601 Ca 0.03 0.00 -0.29 0.00 0.11 0.00 0.00 57.88 57.73 2rep h LEU 601 Cb 0.69 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.90 2rep h LEU 601 CO -0.30 0.04 -1.39 0.58 -4.11 0.00 0.00 178.44 173.26 2rep h VAL 602 N 0.00 1.31 0.02 0.15 2.07 0.29 -2.76 116.25 117.33 2rep h VAL 602 Ca -0.00 -2.93 -0.00 0.00 0.82 0.00 0.00 66.70 64.59 2rep h VAL 602 Cb 0.29 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 2rep h VAL 602 CO 0.01 0.85 -0.01 0.40 0.02 0.00 0.00 177.57 178.83 2rep h ILE 603 N 0.07 1.22 -0.59 4.57 1.08 0.32 -3.01 117.51 121.16 2rep h ILE 603 Ca -0.19 -0.73 -0.05 0.00 -0.39 0.00 0.00 64.86 63.50 2rep h ILE 603 Cb 1.99 1.71 -0.03 0.00 -3.07 0.00 0.00 36.82 37.42 2rep h ILE 603 CO 0.18 0.19 0.15 0.24 -0.69 0.00 0.00 178.15 178.22 2rep h MET 604 N -0.34 0.91 -0.47 2.37 0.00 -1.16 -1.69 114.93 114.55 2rep h MET 604 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 59.70 59.49 2rep h MET 604 Cb 0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 31.60 31.77 2rep h MET 604 CO 0.00 0.81 0.23 0.00 0.00 0.00 0.00 176.91 177.95 2rep h ALA 605 N 1.29 1.53 -0.13 6.32 0.00 -1.55 -2.99 119.26 123.73 2rep h ALA 605 Ca 0.19 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2rep h ALA 605 Cb 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2rep h ALA 605 CO -0.00 0.38 -0.39 -0.07 0.00 0.00 0.00 179.25 179.17 2rep h LEU 606 N 0.65 0.57 -1.38 0.00 3.38 -1.17 -2.85 115.31 114.51 2rep h LEU 606 Ca 0.16 -0.59 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 2rep h LEU 606 Cb 0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2rep h LEU 606 CO -0.02 1.07 -0.13 0.77 0.09 0.00 0.00 178.44 180.21 2rep h SER 607 N 0.11 0.24 -0.18 -0.43 4.64 -1.37 0.30 113.55 116.86 2rep h SER 607 Ca -0.01 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 2rep h SER 607 Cb 1.01 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 2rep h SER 607 CO 0.08 0.40 0.07 0.59 -0.87 0.00 0.00 176.83 177.10 2rep n ASN 608 N -4.27 2.60 -4.33 4.97 4.13 -1.14 -4.92 115.26 112.30 2rep n ASN 608 Ca -0.01 -2.29 -0.35 0.00 1.68 0.00 0.00 54.58 53.62 2rep n ASN 608 Cb 0.27 -0.56 -0.09 0.00 -1.54 0.00 0.00 39.78 37.86 2rep n ASN 608 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2rep n LYS 609 N 0.13 -0.85 -2.75 3.52 5.02 0.10 -4.86 118.16 118.47 2rep n LYS 609 Ca 0.10 0.11 -0.37 0.00 -2.02 0.00 0.00 58.31 56.12 2rep n LYS 609 Cb 0.61 -3.92 -0.06 0.00 -0.02 0.00 0.00 35.03 31.64 2rep n LYS 609 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2rep s GLU 610 N -7.13 4.59 0.50 1.97 2.02 -1.08 -4.96 118.70 114.61 2rep s GLU 610 Ca 0.35 1.37 0.18 0.00 0.02 0.00 0.00 54.97 56.89 2rep s GLU 610 Cb -0.20 -2.85 1.26 0.00 0.10 0.00 0.00 34.13 32.44 2rep s GLU 610 CO 0.97 0.28 2.10 0.66 0.02 0.00 0.00 175.26 179.29 2rep h SER 611 N 3.26 0.00 -3.17 -0.19 4.64 -1.90 -3.40 113.55 112.80 2rep h SER 611 Ca -0.47 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.28 2rep h SER 611 Cb 1.19 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.92 2rep h SER 611 CO 0.65 0.08 -0.82 -2.28 -0.87 0.00 0.00 176.83 173.59 2rep s HIS 612 N -4.79 1.93 -0.19 4.77 5.65 -1.26 -5.12 115.29 116.29 2rep s HIS 612 Ca -0.04 -1.08 -0.06 0.00 0.25 0.00 0.00 55.06 54.13 2rep s HIS 612 Cb 0.16 -1.46 -0.03 0.00 -1.18 0.00 0.00 32.58 30.06 2rep s HIS 612 CO 0.66 -0.62 0.02 0.08 -0.65 0.00 0.00 174.74 174.23 2rep s VAL 613 N 1.56 4.33 -1.33 0.89 1.01 -1.26 -4.98 120.40 120.61 2rep s VAL 613 Ca 0.04 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 2rep s VAL 613 Cb -0.13 -2.95 0.13 0.00 0.00 0.00 0.00 36.38 33.43 2rep s VAL 613 CO -0.10 0.45 2.11 -0.81 0.00 0.00 0.00 175.10 176.75 2rep n PRO 614 N 3.82 3.77 0.13 2.72 -0.04 -1.26 -4.70 135.00 139.44 2rep n PRO 614 Ca -0.17 -3.32 0.03 0.00 -0.04 0.00 0.00 63.50 60.01 2rep n PRO 614 Cb 0.52 -2.89 0.43 0.00 -0.04 0.00 0.00 33.50 31.52 2rep n PRO 614 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2rep h TYR 615 N 5.45 0.22 0.00 0.54 -1.99 -1.95 -3.07 116.97 116.18 2rep h TYR 615 Ca 0.52 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.23 2rep h TYR 615 Cb 0.53 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 39.19 2rep h TYR 615 CO 1.40 0.31 0.00 -2.13 -0.00 0.00 0.00 178.16 177.73 2rep n ARG 616 N -4.33 0.03 0.03 4.88 3.00 -1.26 -1.94 116.66 117.06 2rep n ARG 616 Ca -0.01 0.08 0.07 0.00 -0.00 0.00 0.00 57.85 57.99 2rep n ARG 616 Cb 0.22 -1.53 0.30 0.00 0.00 0.00 0.00 32.46 31.45 2rep n ARG 616 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2rep n ASN 617 N -1.58 0.12 -3.78 6.15 3.02 -1.16 -4.71 115.26 113.32 2rep n ASN 617 Ca 0.06 0.53 -0.13 0.00 -0.03 0.00 0.00 54.58 55.02 2rep n ASN 617 Cb 0.31 -0.56 -0.09 0.00 -0.61 0.00 0.00 39.78 38.83 2rep n ASN 617 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2rep s SER 618 N -3.23 -0.19 0.25 6.41 1.04 -1.23 -5.03 113.70 111.73 2rep s SER 618 Ca 0.05 0.15 -0.03 0.00 0.48 0.00 0.00 55.95 56.60 2rep s SER 618 Cb 0.08 0.36 0.31 0.00 0.10 0.00 0.00 66.02 66.87 2rep s SER 618 CO 0.24 -0.37 1.76 0.11 0.98 0.00 0.00 173.24 175.96 2rep h LYS 619 N 4.26 0.84 0.34 4.02 1.57 -1.86 -1.09 116.57 124.66 2rep h LYS 619 Ca -0.29 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.26 2rep h LYS 619 Cb 1.18 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2rep h LYS 619 CO 0.38 0.82 -0.17 1.25 -0.57 0.00 0.00 179.45 181.17 2rep h LEU 620 N 0.79 -0.40 -0.98 2.94 5.85 -1.95 -1.65 115.31 119.91 2rep h LEU 620 Ca 0.16 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 2rep h LEU 620 Cb 0.42 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 2rep h LEU 620 CO 0.02 -0.28 -0.50 0.71 -0.34 0.00 0.00 178.44 178.04 2rep h THR 621 N -0.47 1.32 -0.46 1.05 1.35 -1.76 -1.57 112.91 112.37 2rep h THR 621 Ca -0.05 -1.74 -0.05 0.00 -0.55 0.00 0.00 66.41 64.02 2rep h THR 621 Cb 0.36 1.95 -0.02 0.00 -1.73 0.00 0.00 68.15 68.71 2rep h THR 621 CO 0.08 0.49 0.07 0.22 -0.25 0.00 0.00 175.52 176.13 2rep h TYR 622 N 0.00 0.81 -0.26 4.73 3.20 -0.51 -1.43 116.97 123.50 2rep h TYR 622 Ca -0.01 -0.11 -0.11 0.00 3.14 0.00 0.00 58.73 61.65 2rep h TYR 622 Cb 0.91 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 2rep h TYR 622 CO 0.00 0.76 -0.25 1.25 -1.64 0.00 0.00 178.16 178.28 2rep h LEU 623 N 0.63 0.68 -1.29 2.82 5.85 -1.01 -3.18 115.31 119.81 2rep h LEU 623 Ca 0.14 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2rep h LEU 623 Cb 0.39 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.23 2rep h LEU 623 CO 0.01 1.01 0.00 0.18 -0.34 0.00 0.00 178.44 179.30 2rep n LEU 624 N -4.32 1.90 -0.22 2.25 4.77 -0.62 -4.55 117.00 116.22 2rep n LEU 624 Ca -0.04 -0.89 0.16 0.00 -0.03 0.00 0.00 56.01 55.21 2rep n LEU 624 Cb 0.45 -0.20 0.48 0.00 -2.33 0.00 0.00 43.42 41.82 2rep n LEU 624 CO 0.44 0.45 1.22 0.06 -1.33 0.00 0.00 177.39 178.22 2rep h GLN 625 N 2.24 0.45 -0.00 3.23 3.07 -1.23 0.23 115.11 123.10 2rep h GLN 625 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 2rep h GLN 625 Cb 0.50 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.96 2rep h GLN 625 CO 0.00 0.30 0.00 0.09 0.09 0.00 0.00 178.83 179.31 2rep n ASN 626 N -4.51 0.22 -0.09 0.06 3.02 -1.26 -3.11 115.26 109.59 2rep n ASN 626 Ca 0.17 -1.09 0.01 0.00 -0.03 0.00 0.00 54.58 53.64 2rep n ASN 626 Cb 0.59 -0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.78 2rep n ASN 626 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2rep n SER 627 N -0.82 2.14 -0.02 6.41 7.64 0.81 -4.85 113.62 124.93 2rep n SER 627 Ca 0.23 -2.04 -0.03 0.00 1.01 0.00 0.00 58.87 58.05 2rep n SER 627 Cb 0.14 -0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 63.29 2rep n SER 627 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2rep n LEU 628 N -0.39 0.61 0.00 -3.43 4.77 -1.14 -4.56 117.00 112.86 2rep n LEU 628 Ca 0.02 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2rep n LEU 628 Cb 0.29 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2rep n LEU 628 CO 0.01 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.23 2rep n GLY 629 N 1.79 0.89 7.00 -0.72 0.00 -1.26 -4.63 105.19 108.25 2rep n GLY 629 Ca -0.04 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.07 2rep n GLY 629 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rep n GLY 630 N 5.00 2.13 0.57 -0.02 0.00 -1.26 -3.14 105.19 108.47 2rep n GLY 630 Ca 0.00 -0.38 0.13 0.00 0.00 0.00 0.00 46.02 45.77 2rep n GLY 630 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rep n SER 631 N 7.04 1.93 -4.67 1.61 3.41 -1.26 -4.97 113.62 116.71 2rep n SER 631 Ca 0.00 -1.52 -0.43 0.00 -0.26 0.00 0.00 58.87 56.66 2rep n SER 631 Cb 0.00 0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 64.06 2rep n SER 631 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rep n ALA 632 N 0.30 0.94 -2.67 7.33 0.00 -1.19 -4.69 120.51 120.53 2rep n ALA 632 Ca 0.14 0.38 -0.37 0.00 0.00 0.00 0.00 53.44 53.59 2rep n ALA 632 Cb 0.45 -2.21 -0.06 0.00 0.00 0.00 0.00 19.45 17.63 2rep n ALA 632 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2rep s LYS 633 N -1.57 3.89 -0.10 0.00 1.02 0.93 -4.91 119.74 119.01 2rep s LYS 633 Ca 0.58 0.17 0.02 0.00 0.02 0.00 0.00 55.97 56.76 2rep s LYS 633 Cb -0.61 -3.28 0.02 0.00 -0.52 0.00 0.00 37.83 33.44 2rep s LYS 633 CO 0.60 0.57 -0.14 1.41 -0.92 0.00 0.00 175.35 176.87 2rep s MET 634 N -0.59 2.09 -0.17 1.68 -2.45 -0.93 -0.72 119.30 118.22 2rep s MET 634 Ca 0.19 -0.52 -0.00 0.00 -1.25 0.00 0.00 55.69 54.11 2rep s MET 634 Cb -0.14 -1.79 0.00 0.00 1.25 0.00 0.00 34.83 34.15 2rep s MET 634 CO 0.08 -0.06 -0.15 -0.51 1.05 0.00 0.00 175.02 175.43 2rep s LEU 635 N 0.99 2.43 -0.26 4.11 1.43 -0.59 -1.05 118.68 125.74 2rep s LEU 635 Ca -0.07 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 2rep s LEU 635 Cb -0.15 -1.57 0.04 0.00 0.03 0.00 0.00 46.19 44.54 2rep s LEU 635 CO -0.01 0.04 -0.05 -0.32 0.23 0.00 0.00 176.35 176.23 2rep s MET 636 N 1.09 2.66 -0.27 1.70 1.75 -0.05 -0.93 119.30 125.24 2rep s MET 636 Ca -0.00 -1.09 -0.12 0.00 -1.25 0.00 0.00 55.69 53.22 2rep s MET 636 Cb -0.14 -3.02 -0.05 0.00 2.84 0.00 0.00 34.83 34.46 2rep s MET 636 CO -0.05 -0.47 0.26 -0.06 -0.65 0.00 0.00 175.02 174.04 2rep s PHE 637 N 1.28 3.25 -0.43 4.11 0.08 0.16 -0.09 117.98 126.34 2rep s PHE 637 Ca -0.02 0.25 -0.14 0.00 0.12 0.00 0.00 56.93 57.14 2rep s PHE 637 Cb -0.18 -2.43 0.05 0.00 -0.57 0.00 0.00 43.02 39.88 2rep s PHE 637 CO -0.04 -0.15 0.31 0.54 -0.10 0.00 0.00 175.22 175.79 2rep s VAL 638 N 1.75 5.03 0.20 -0.44 0.11 0.11 0.23 120.40 127.39 2rep s VAL 638 Ca 0.10 -0.92 -0.28 0.00 -2.93 0.00 0.00 61.98 57.95 2rep s VAL 638 Cb -0.16 -3.90 -0.08 0.00 -1.53 0.00 0.00 36.38 30.71 2rep s VAL 638 CO 0.10 -0.42 0.88 0.20 -3.33 0.00 0.00 175.10 172.53 2rep s ASN 639 N 2.04 7.55 -0.05 3.54 -0.87 0.23 -1.55 114.94 125.82 2rep s ASN 639 Ca 0.04 1.83 0.01 0.00 -1.57 0.00 0.00 52.86 53.17 2rep s ASN 639 Cb -0.21 -2.57 0.02 0.00 -0.02 0.00 0.00 41.25 38.47 2rep s ASN 639 CO 0.07 0.16 -0.05 -0.63 -2.57 0.00 0.00 177.10 174.09 2rep s ILE 640 N -1.08 0.58 0.15 0.60 -1.09 0.93 -4.47 121.20 116.82 2rep s ILE 640 Ca 0.40 -0.13 -0.30 0.00 -2.23 0.00 0.00 60.65 58.38 2rep s ILE 640 Cb -0.25 -0.61 -0.07 0.00 -1.58 0.00 0.00 42.46 39.95 2rep s ILE 640 CO 0.30 0.24 1.10 -0.55 -1.23 0.00 0.00 174.94 174.80 2rep s SER 641 N 1.01 7.26 0.00 3.58 0.15 -1.26 -2.69 113.70 121.75 2rep s SER 641 Ca -0.10 2.04 0.18 0.00 0.70 0.00 0.00 55.95 58.78 2rep s SER 641 Cb -0.14 -2.60 0.96 0.00 -1.71 0.00 0.00 66.02 62.53 2rep s SER 641 CO -0.00 -0.24 1.63 -0.81 1.20 0.00 0.00 173.24 175.02 2rep n PRO 642 N 2.63 1.15 -3.17 5.44 -0.04 -1.26 -4.88 135.00 134.87 2rep n PRO 642 Ca 0.03 -0.22 -0.37 0.00 -0.04 0.00 0.00 63.50 62.90 2rep n PRO 642 Cb 0.47 -1.29 -0.06 0.00 -0.04 0.00 0.00 33.50 32.57 2rep n PRO 642 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2rep s LEU 643 N -1.53 4.41 0.34 1.53 1.43 -1.26 -4.73 118.68 118.87 2rep s LEU 643 Ca 0.27 1.35 0.05 0.00 -1.03 0.00 0.00 54.13 54.77 2rep s LEU 643 Cb 0.13 -3.35 0.68 0.00 0.03 0.00 0.00 46.19 43.68 2rep s LEU 643 CO 0.21 0.12 1.92 -0.08 0.23 0.00 0.00 176.35 178.75 2rep h GLU 644 N 3.79 0.82 0.00 1.70 4.22 -1.92 -2.50 114.58 120.69 2rep h GLU 644 Ca -0.48 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 58.90 2rep h GLU 644 Cb 1.20 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 2rep h GLU 644 CO 0.65 0.54 -0.05 1.05 -2.18 0.00 0.00 179.01 179.02 2rep h GLU 645 N 0.84 0.00 -0.36 1.92 4.11 -1.97 -2.92 114.58 116.20 2rep h GLU 645 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.80 2rep h GLU 645 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2rep h GLU 645 CO -0.14 0.05 0.00 0.09 0.07 0.00 0.00 179.01 179.08 2rep n ASN 646 N -3.17 4.05 -0.03 3.06 3.02 -0.95 -4.59 115.26 116.64 2rep n ASN 646 Ca 0.00 -2.76 0.01 0.00 -0.03 0.00 0.00 54.58 51.80 2rep n ASN 646 Cb 0.31 -0.51 0.32 0.00 -0.61 0.00 0.00 39.78 39.29 2rep n ASN 646 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2rep h VAL 647 N 2.37 1.17 -0.23 2.41 3.04 -1.48 -0.80 116.25 122.74 2rep h VAL 647 Ca 0.00 -0.58 -0.03 0.00 -1.01 0.00 0.00 66.70 65.08 2rep h VAL 647 Cb 1.39 0.72 -0.01 0.00 -2.01 0.00 0.00 31.29 31.37 2rep h VAL 647 CO 0.22 0.22 0.03 -1.28 -1.01 0.00 0.00 177.57 175.74 2rep h SER 648 N 0.59 0.38 1.67 3.17 0.87 -1.84 -1.00 113.55 117.39 2rep h SER 648 Ca 0.14 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.40 2rep h SER 648 Cb 0.17 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2rep h SER 648 CO -0.01 0.56 -0.11 -0.33 -0.53 0.00 0.00 176.83 176.41 2rep h GLU 649 N 0.18 0.00 -0.03 2.24 4.39 -1.87 -3.11 114.58 116.38 2rep h GLU 649 Ca 0.07 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.60 2rep h GLU 649 Cb 0.35 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2rep h GLU 649 CO 0.01 0.11 -0.72 0.77 -1.16 0.00 0.00 179.01 178.02 2rep h SER 650 N 0.00 0.24 -0.76 1.42 0.02 -0.86 -2.52 113.55 111.09 2rep h SER 650 Ca -0.00 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2rep h SER 650 Cb 0.97 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.40 2rep h SER 650 CO 0.01 0.87 0.46 -0.07 -1.14 0.00 0.00 176.83 176.97 2rep h LEU 651 N 0.13 0.91 -0.44 5.07 3.38 -1.12 -1.88 115.31 121.35 2rep h LEU 651 Ca -0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2rep h LEU 651 Cb 1.27 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2rep h LEU 651 CO 0.11 0.70 0.19 0.78 0.09 0.00 0.00 178.44 180.31 2rep h ASN 652 N 1.04 0.60 -0.62 -0.43 2.35 -1.49 0.39 115.58 117.42 2rep h ASN 652 Ca 0.27 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 2rep h ASN 652 Cb -0.05 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 2rep h ASN 652 CO -0.05 0.60 0.24 0.28 -1.65 0.00 0.00 177.43 176.84 2rep h SER 653 N 0.57 0.87 -0.23 5.81 0.02 -1.37 -0.68 113.55 118.54 2rep h SER 653 Ca 0.15 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 2rep h SER 653 Cb 0.17 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2rep h SER 653 CO -0.01 0.81 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.27 2rep h LEU 654 N 0.88 0.64 -0.05 5.07 3.38 -1.12 0.14 115.31 124.23 2rep h LEU 654 Ca 0.21 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2rep h LEU 654 Cb 0.22 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2rep h LEU 654 CO -0.02 0.80 0.02 0.03 0.09 0.00 0.00 178.44 179.37 2rep h ARG 655 N 0.58 0.08 -0.23 1.13 3.08 -0.69 0.11 114.38 118.46 2rep h ARG 655 Ca 0.10 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 2rep h ARG 655 Cb 0.59 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2rep h ARG 655 CO 0.04 0.23 0.13 0.35 -1.07 0.00 0.00 179.97 179.65 2rep h PHE 656 N -0.08 0.31 -0.42 3.04 3.57 -0.92 -1.94 116.94 120.49 2rep h PHE 656 Ca 0.02 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.54 2rep h PHE 656 Cb 0.18 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 2rep h PHE 656 CO -0.01 0.26 0.23 0.00 -2.23 0.00 0.00 178.31 176.55 2rep h ALA 657 N 1.02 0.53 -0.11 2.41 0.00 -0.63 -1.79 119.26 120.69 2rep h ALA 657 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2rep h ALA 657 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2rep h ALA 657 CO -0.01 -0.11 -0.14 1.03 0.00 0.00 0.00 179.25 180.01 2rep h SER 658 N 0.46 0.16 -0.34 0.00 0.87 -0.57 -0.74 113.55 113.39 2rep h SER 658 Ca 0.17 -0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 60.54 2rep h SER 658 Cb 0.05 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2rep h SER 658 CO -0.10 0.32 -0.42 0.50 -0.53 0.00 0.00 176.83 176.59 2rep h LYS 659 N 0.16 0.89 -0.53 2.24 3.64 -0.79 -2.84 116.57 119.34 2rep h LYS 659 Ca 0.03 -0.50 -0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2rep h LYS 659 Cb 0.35 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 2rep h LYS 659 CO 0.02 1.14 0.32 0.28 -2.27 0.00 0.00 179.45 178.95 2rep h VAL 660 N 0.69 1.16 0.00 2.00 2.07 -0.77 -3.51 116.25 117.89 2rep h VAL 660 Ca 0.04 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2rep h VAL 660 Cb 1.02 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2rep h VAL 660 CO 0.10 0.17 0.00 -3.20 0.02 0.00 0.00 177.57 174.66