#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x49 s SER 354 N 0.00 3.72 0.55 1.61 1.04 -1.26 -5.02 113.70 114.33 2x49 s SER 354 Ca 0.00 -1.57 0.24 0.00 0.48 0.00 0.00 55.95 55.10 2x49 s SER 354 Cb 0.00 0.25 1.48 0.00 0.10 0.00 0.00 66.02 67.85 2x49 s SER 354 CO 0.00 -0.75 2.11 1.12 0.98 0.00 0.00 173.24 176.69 2x49 h HIS 355 N 1.58 0.00 -0.37 5.02 -0.00 -2.00 -1.12 115.15 118.25 2x49 h HIS 355 Ca -0.42 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.00 2x49 h HIS 355 Cb 1.29 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.68 2x49 h HIS 355 CO 1.26 0.00 0.25 0.52 -0.00 0.00 0.00 177.93 179.96 2x49 h MET 356 N 0.00 0.29 0.00 5.12 0.00 -1.95 -2.41 114.93 115.98 2x49 h MET 356 Ca 0.09 -0.02 -0.37 0.00 0.00 0.00 0.00 59.70 59.40 2x49 h MET 356 Cb 0.41 -0.07 -0.06 0.00 0.00 0.00 0.00 31.60 31.88 2x49 h MET 356 CO -0.00 0.19 -2.36 0.25 0.00 0.00 0.00 176.91 174.99 2x49 n THR 357 N -4.48 1.36 0.28 2.22 -2.24 -0.85 -4.38 114.28 106.19 2x49 n THR 357 Ca 0.04 -0.47 0.16 0.00 -2.27 0.00 0.00 64.05 61.50 2x49 n THR 357 Cb 0.22 -1.47 0.54 0.00 -2.10 0.00 0.00 70.33 67.52 2x49 n THR 357 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2x49 h GLU 358 N -0.24 0.00 -0.01 -0.78 5.08 -0.89 -3.04 114.58 114.69 2x49 h GLU 358 Ca -0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 2x49 h GLU 358 Cb 1.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.00 2x49 h GLU 358 CO -0.16 0.00 -0.05 0.25 -1.00 0.00 0.00 179.01 178.05 2x49 n THR 359 N -3.03 0.00 -3.26 1.13 -2.24 -0.94 -4.81 114.28 101.14 2x49 n THR 359 Ca 0.02 -0.47 -0.25 0.00 -2.27 0.00 0.00 64.05 61.07 2x49 n THR 359 Cb 0.36 1.21 -0.07 0.00 -2.10 0.00 0.00 70.33 69.73 2x49 n THR 359 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2x49 n VAL 360 N 0.43 -0.06 -2.05 2.28 3.14 -1.15 -5.12 118.33 115.80 2x49 n VAL 360 Ca 0.06 -4.24 -0.36 0.00 -2.96 0.00 0.00 64.34 56.84 2x49 n VAL 360 Cb 0.27 -1.97 0.02 0.00 -1.06 0.00 0.00 33.84 31.10 2x49 n VAL 360 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2x49 s PRO 361 N -1.38 3.14 0.31 1.45 0.04 -1.26 -4.79 135.00 132.51 2x49 s PRO 361 Ca 0.36 1.84 -0.21 0.00 0.04 0.00 0.00 61.00 63.03 2x49 s PRO 361 Cb 0.15 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 2x49 s PRO 361 CO -0.10 -1.07 0.83 -0.51 0.04 0.00 0.00 177.00 176.19 2x49 s LEU 362 N -3.84 4.20 -0.07 -3.56 1.43 0.25 -4.51 118.68 112.59 2x49 s LEU 362 Ca 0.74 1.55 0.03 0.00 -1.03 0.00 0.00 54.13 55.42 2x49 s LEU 362 Cb -0.30 -3.99 0.01 0.00 0.03 0.00 0.00 46.19 41.93 2x49 s LEU 362 CO 0.34 -0.12 -0.15 -0.63 0.23 0.00 0.00 176.35 176.01 2x49 s ILE 363 N -1.78 1.37 -0.25 -0.59 1.01 -0.91 -0.95 121.20 119.10 2x49 s ILE 363 Ca 0.51 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 60.48 2x49 s ILE 363 Cb -0.14 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 2x49 s ILE 363 CO 0.19 0.41 0.03 -0.76 0.00 0.00 0.00 174.94 174.81 2x49 s LEU 364 N 0.56 3.36 -0.13 2.97 1.43 0.10 -0.92 118.68 126.05 2x49 s LEU 364 Ca -0.15 -0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 52.28 2x49 s LEU 364 Cb -0.16 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 2x49 s LEU 364 CO 0.05 -0.08 0.75 -0.76 0.23 0.00 0.00 176.35 176.54 2x49 s LEU 365 N 1.53 4.23 0.19 1.79 1.43 0.69 -1.55 118.68 126.98 2x49 s LEU 365 Ca 0.05 1.14 0.07 0.00 -1.03 0.00 0.00 54.13 54.36 2x49 s LEU 365 Cb -0.15 -3.13 -0.05 0.00 0.03 0.00 0.00 46.19 42.89 2x49 s LEU 365 CO 0.01 -0.26 -0.14 0.68 0.23 0.00 0.00 176.35 176.87 2x49 s VAL 366 N 1.55 1.61 0.25 -1.59 -7.23 -0.30 -1.20 120.40 113.48 2x49 s VAL 366 Ca 0.37 -2.13 -0.30 0.00 -1.81 0.00 0.00 61.98 58.11 2x49 s VAL 366 Cb -0.17 -1.96 -0.09 0.00 0.56 0.00 0.00 36.38 34.72 2x49 s VAL 366 CO 0.15 -0.59 1.26 -2.84 -0.31 0.00 0.00 175.10 172.76 2x49 s PRO 367 N -3.54 4.44 0.34 4.82 0.02 -1.26 -0.80 135.00 139.01 2x49 s PRO 367 Ca 0.20 2.04 0.12 0.00 0.02 0.00 0.00 61.00 63.37 2x49 s PRO 367 Cb -0.01 -3.16 0.93 0.00 0.02 0.00 0.00 34.50 32.28 2x49 s PRO 367 CO 0.05 -0.13 1.75 -0.22 -0.33 0.00 0.00 177.00 178.12 2x49 h LYS 368 N 4.49 0.54 0.00 5.54 3.64 -1.89 0.34 116.57 129.22 2x49 h LYS 368 Ca -0.46 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2x49 h LYS 368 Cb 1.22 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2x49 h LYS 368 CO 0.72 0.35 0.00 0.66 -2.27 0.00 0.00 179.45 178.91 2x49 h SER 369 N 0.55 0.00 -0.00 4.20 4.64 -1.95 -2.93 113.55 118.06 2x49 h SER 369 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 2x49 h SER 369 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2x49 h SER 369 CO -0.42 0.00 -0.30 0.54 -0.87 0.00 0.00 176.83 175.78 2x49 n ARG 370 N -2.52 3.62 -0.11 4.77 5.12 0.05 -4.79 116.66 122.80 2x49 n ARG 370 Ca 0.01 -0.19 -0.06 0.00 -1.93 0.00 0.00 57.85 55.68 2x49 n ARG 370 Cb 0.20 -0.93 0.02 0.00 -1.16 0.00 0.00 32.46 30.59 2x49 n ARG 370 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 2x49 h ARG 371 N 0.33 0.27 -0.52 5.56 9.65 -1.21 -1.47 114.38 126.98 2x49 h ARG 371 Ca 0.00 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.82 2x49 h ARG 371 Cb 0.22 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.72 2x49 h ARG 371 CO 0.00 0.18 0.15 1.49 2.80 0.00 0.00 179.97 184.59 2x49 h GLU 372 N 0.28 0.82 -0.16 0.20 4.81 -1.87 -0.54 114.58 118.12 2x49 h GLU 372 Ca 0.17 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 2x49 h GLU 372 Cb 0.16 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2x49 h GLU 372 CO -0.18 0.77 -0.15 -0.44 -0.73 0.00 0.00 179.01 178.27 2x49 h ASP 373 N 0.72 0.25 0.74 1.04 3.32 -1.77 -0.95 116.42 119.77 2x49 h ASP 373 Ca 0.17 -0.06 -0.23 0.00 0.02 0.00 0.00 57.03 56.94 2x49 h ASP 373 Cb 0.30 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2x49 h ASP 373 CO -0.00 0.42 -1.03 -0.07 -1.72 0.00 0.00 179.24 176.84 2x49 h LEU 374 N 0.24 0.22 -0.39 1.55 3.38 -0.78 -0.88 115.31 118.66 2x49 h LEU 374 Ca 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2x49 h LEU 374 Cb 0.42 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2x49 h LEU 374 CO 0.03 1.11 0.18 -0.33 0.09 0.00 0.00 178.44 179.52 2x49 h GLU 375 N 0.06 0.57 -0.19 1.13 5.08 -0.89 -1.95 114.58 118.39 2x49 h GLU 375 Ca -0.06 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 2x49 h GLU 375 Cb 1.74 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 2x49 h GLU 375 CO 0.15 0.51 -0.16 0.87 -1.00 0.00 0.00 179.01 179.38 2x49 h LYS 376 N 0.49 0.31 -0.00 2.33 1.57 -0.81 -1.91 116.57 118.55 2x49 h LYS 376 Ca 0.13 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2x49 h LYS 376 Cb 0.13 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2x49 h LYS 376 CO -0.02 0.47 -0.01 0.00 -0.57 0.00 0.00 179.45 179.32 2x49 n ALA 377 N -2.48 2.54 -3.80 3.86 0.00 -0.37 -4.92 120.51 115.34 2x49 n ALA 377 Ca -0.00 -0.16 -0.26 0.00 0.00 0.00 0.00 53.44 53.02 2x49 n ALA 377 Cb 0.31 -1.48 0.03 0.00 0.00 0.00 0.00 19.45 18.31 2x49 n ALA 377 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2x49 n GLN 378 N -1.22 -5.44 -0.22 0.00 6.02 -0.72 -4.87 117.38 110.94 2x49 n GLN 378 Ca 0.15 0.63 -0.05 0.00 -0.01 0.00 0.00 57.00 57.72 2x49 n GLN 378 Cb 0.23 -5.38 0.01 0.00 1.02 0.00 0.00 30.24 26.12 2x49 n GLN 378 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2x49 h LEU 379 N -2.03 -1.15 -0.46 1.08 5.85 -1.62 0.53 115.31 117.50 2x49 h LEU 379 Ca -0.59 0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.30 2x49 h LEU 379 Cb 1.37 0.58 -0.02 0.00 0.37 0.00 0.00 40.66 42.96 2x49 h LEU 379 CO 0.62 -0.30 0.06 0.00 -0.34 0.00 0.00 178.44 178.48 2x49 h ALA 380 N 1.05 0.61 -0.16 1.25 0.00 -1.90 -1.00 119.26 119.10 2x49 h ALA 380 Ca 0.24 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 2x49 h ALA 380 Cb 0.55 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2x49 h ALA 380 CO -0.70 0.35 -0.69 0.93 0.00 0.00 0.00 179.25 179.15 2x49 h GLU 381 N 0.64 0.67 -0.05 0.00 3.07 -1.84 -2.53 114.58 114.53 2x49 h GLU 381 Ca 0.14 -0.50 -0.20 0.00 -0.50 0.00 0.00 59.36 58.30 2x49 h GLU 381 Cb 0.41 0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.41 2x49 h GLU 381 CO 0.01 1.12 -0.80 0.00 -1.40 0.00 0.00 179.01 177.95 2x49 h ARG 382 N 0.48 0.41 -0.43 2.33 3.08 -0.77 -0.72 114.38 118.75 2x49 h ARG 382 Ca -0.02 -0.36 0.04 0.00 0.07 0.00 0.00 59.98 59.70 2x49 h ARG 382 Cb 1.28 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.38 2x49 h ARG 382 CO 0.14 1.01 0.19 1.25 -1.07 0.00 0.00 179.97 181.49 2x49 h LEU 383 N 0.26 0.24 -0.23 3.04 5.85 -1.07 -0.22 115.31 123.19 2x49 h LEU 383 Ca -0.05 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 2x49 h LEU 383 Cb 1.39 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 2x49 h LEU 383 CO 0.14 0.18 -0.25 0.03 -0.34 0.00 0.00 178.44 178.19 2x49 h ARG 384 N 0.38 0.57 -0.28 1.25 3.08 -1.17 -1.61 114.38 116.61 2x49 h ARG 384 Ca 0.19 -0.31 -0.13 0.00 0.07 0.00 0.00 59.98 59.80 2x49 h ARG 384 Cb 0.14 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 2x49 h ARG 384 CO -0.17 0.91 -0.34 0.66 -1.07 0.00 0.00 179.97 179.96 2x49 h SER 385 N 0.27 0.78 0.02 7.04 4.64 -1.03 -2.70 113.55 122.57 2x49 h SER 385 Ca 0.03 -0.49 -0.13 0.00 -0.47 0.00 0.00 61.79 60.73 2x49 h SER 385 Cb 0.81 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 2x49 h SER 385 CO 0.06 1.12 -0.41 -0.61 -0.87 0.00 0.00 176.83 176.12 2x49 h GLN 386 N 0.46 0.50 -0.56 4.77 5.75 -1.06 -2.27 115.11 122.70 2x49 h GLN 386 Ca 0.04 -0.25 -0.09 0.00 -0.15 0.00 0.00 58.65 58.19 2x49 h GLN 386 Cb 0.93 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.46 2x49 h GLN 386 CO 0.08 0.82 0.00 0.35 -2.65 0.00 0.00 178.83 177.44 2x49 h PHE 387 N 0.41 1.07 -0.66 3.99 3.57 -1.23 0.32 116.94 124.40 2x49 h PHE 387 Ca 0.04 -0.18 0.01 0.00 3.53 0.00 0.00 57.97 61.36 2x49 h PHE 387 Cb 0.89 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 2x49 h PHE 387 CO 0.03 0.96 0.44 0.35 -2.23 0.00 0.00 178.31 177.86 2x49 h PHE 388 N 0.86 0.84 -0.41 0.41 3.57 -1.29 0.24 116.94 121.16 2x49 h PHE 388 Ca 0.16 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2x49 h PHE 388 Cb 0.54 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 2x49 h PHE 388 CO 0.04 0.53 0.20 0.82 -2.23 0.00 0.00 178.31 177.67 2x49 h ILE 389 N 0.90 1.17 0.06 1.41 2.04 -0.91 -0.27 117.51 121.91 2x49 h ILE 389 Ca 0.24 -0.49 -0.24 0.00 1.00 0.00 0.00 64.86 65.37 2x49 h ILE 389 Cb -0.10 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2x49 h ILE 389 CO -0.05 0.19 -1.06 0.44 0.00 0.00 0.00 178.15 177.67 2x49 h ASP 390 N 0.52 0.40 0.00 1.72 3.32 -0.53 -3.38 116.42 118.47 2x49 h ASP 390 Ca 0.14 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2x49 h ASP 390 Cb 0.12 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2x49 h ASP 390 CO -0.02 1.22 -0.54 -1.22 -1.72 0.00 0.00 179.24 176.96 2x49 n TYR 391 N -3.62 0.00 -0.81 4.55 4.01 0.04 -4.61 117.16 116.71 2x49 n TYR 391 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2x49 n TYR 391 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.94 2x49 n TYR 391 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x49 n GLY 392 N 1.69 0.58 3.23 2.72 0.00 -0.11 -1.20 105.19 112.10 2x49 n GLY 392 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 2x49 n GLY 392 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x49 s VAL 393 N -2.00 1.00 -0.13 1.61 -7.23 -1.26 -4.71 120.40 107.68 2x49 s VAL 393 Ca 0.00 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.04 2x49 s VAL 393 Cb 0.00 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 2x49 s VAL 393 CO 0.00 -0.75 0.24 -0.13 -0.31 0.00 0.00 175.10 174.15 2x49 s ARG 394 N -3.79 3.96 0.60 4.82 1.81 -1.26 -3.65 118.95 121.44 2x49 s ARG 394 Ca 0.16 0.03 -0.10 0.00 -1.72 0.00 0.00 55.73 54.11 2x49 s ARG 394 Cb 0.04 -3.32 -0.03 0.00 -0.45 0.00 0.00 34.95 31.18 2x49 s ARG 394 CO -0.00 0.48 0.98 -0.51 -0.68 0.00 0.00 175.30 175.56 2x49 s LEU 395 N -0.23 3.28 1.17 2.53 1.43 -1.26 -4.94 118.68 120.65 2x49 s LEU 395 Ca 0.16 1.26 -0.15 0.00 -1.03 0.00 0.00 54.13 54.37 2x49 s LEU 395 Cb -0.13 -4.26 0.27 0.00 0.03 0.00 0.00 46.19 42.10 2x49 s LEU 395 CO 0.05 -0.86 1.05 -2.84 0.23 0.00 0.00 176.35 173.97 2x49 s PRO 396 N -5.10 -0.92 0.52 1.29 0.02 -1.26 -4.98 135.00 124.57 2x49 s PRO 396 Ca 0.54 0.44 -0.22 0.00 0.02 0.00 0.00 61.00 61.78 2x49 s PRO 396 Cb -0.11 -1.59 -0.06 0.00 0.02 0.00 0.00 34.50 32.76 2x49 s PRO 396 CO 0.52 -3.62 1.23 0.39 -0.33 0.00 0.00 177.00 175.19 2x49 n GLU 397 N -4.79 1.57 -4.01 5.54 -0.58 -1.26 -4.72 120.64 112.39 2x49 n GLU 397 Ca 0.07 0.57 -0.34 0.00 -0.42 0.00 0.00 57.16 57.04 2x49 n GLU 397 Cb 0.57 -2.41 -0.15 0.00 -0.57 0.00 0.00 31.44 28.88 2x49 n GLU 397 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2x49 s VAL 398 N -1.31 2.65 -0.13 2.62 1.01 -1.26 -0.58 120.40 123.40 2x49 s VAL 398 Ca 0.69 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 2x49 s VAL 398 Cb -0.45 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2x49 s VAL 398 CO 0.52 0.36 0.06 -0.76 0.00 0.00 0.00 175.10 175.27 2x49 s LEU 399 N 1.33 3.87 -0.10 3.92 1.43 -0.13 -4.94 118.68 124.07 2x49 s LEU 399 Ca 0.03 0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 53.23 2x49 s LEU 399 Cb -0.15 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 2x49 s LEU 399 CO -0.07 0.30 0.22 -0.76 0.23 0.00 0.00 176.35 176.27 2x49 s LEU 400 N -0.42 4.38 -0.01 1.79 1.43 -1.26 -0.72 118.68 123.87 2x49 s LEU 400 Ca 0.09 0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 2x49 s LEU 400 Cb -0.12 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.87 2x49 s LEU 400 CO 0.02 0.33 -0.04 -0.60 0.23 0.00 0.00 176.35 176.29 2x49 s ARG 401 N -0.74 0.35 0.06 1.70 3.52 -0.60 -4.96 118.95 118.29 2x49 s ARG 401 Ca 0.17 -0.12 -0.31 0.00 -0.13 0.00 0.00 55.73 55.34 2x49 s ARG 401 Cb -0.13 -0.36 -0.06 0.00 -1.56 0.00 0.00 34.95 32.84 2x49 s ARG 401 CO 0.06 0.06 1.21 -0.51 -0.81 0.00 0.00 175.30 175.30 2x49 s ASP 402 N 0.06 7.07 -0.25 -2.12 1.01 -1.26 -1.15 116.67 120.03 2x49 s ASP 402 Ca -0.00 2.02 -0.16 0.00 0.71 0.00 0.00 52.55 55.12 2x49 s ASP 402 Cb -0.03 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 2x49 s ASP 402 CO -0.00 -0.48 0.43 -0.83 0.21 0.00 0.00 175.17 174.50 2x49 s GLY 403 N 1.07 1.93 0.16 0.21 0.00 0.02 -4.80 107.32 105.91 2x49 s GLY 403 Ca 0.59 -0.65 -0.34 0.00 0.00 0.00 0.00 44.72 44.32 2x49 s GLY 403 CO 0.29 1.03 1.57 1.18 0.00 0.00 0.00 173.10 177.18 2x49 n GLU 404 N 5.16 2.14 -0.84 2.90 4.71 -1.26 -2.55 120.64 130.91 2x49 n GLU 404 Ca -0.07 0.77 0.00 0.00 -0.01 0.00 0.00 57.16 57.86 2x49 n GLU 404 Cb 0.50 -2.54 0.00 0.00 -1.01 0.00 0.00 31.44 28.39 2x49 n GLU 404 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2x49 n GLY 405 N 3.39 0.86 3.75 0.62 0.00 -1.26 -4.99 105.19 107.55 2x49 n GLY 405 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2x49 n GLY 405 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x49 s LEU 406 N 0.00 4.40 1.14 0.99 1.43 -1.06 -5.03 118.68 120.55 2x49 s LEU 406 Ca 0.00 2.61 -0.18 0.00 -1.03 0.00 0.00 54.13 55.53 2x49 s LEU 406 Cb 0.00 -3.62 0.26 0.00 0.03 0.00 0.00 46.19 42.86 2x49 s LEU 406 CO 0.00 -0.64 1.15 1.51 0.23 0.00 0.00 176.35 178.61 2x49 s ASP 407 N 0.22 1.51 0.00 2.29 1.47 -1.26 -4.86 116.67 116.03 2x49 s ASP 407 Ca 0.57 0.59 0.21 0.00 1.18 0.00 0.00 52.55 55.10 2x49 s ASP 407 Cb -0.40 -0.82 1.10 0.00 -0.34 0.00 0.00 42.92 42.46 2x49 s ASP 407 CO 0.44 -3.76 1.68 0.47 0.68 0.00 0.00 175.17 174.68 2x49 n ASP 408 N -4.51 0.00 -1.11 2.11 8.00 -1.26 -3.45 116.55 116.33 2x49 n ASP 408 Ca 0.13 -0.10 0.05 0.00 0.71 0.00 0.00 54.79 55.58 2x49 n ASP 408 Cb 0.59 -0.25 0.09 0.00 -0.02 0.00 0.00 41.12 41.54 2x49 n ASP 408 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2x49 n ASN 409 N -1.25 1.27 -4.23 -2.24 3.02 -1.26 -4.82 115.26 105.74 2x49 n ASN 409 Ca 0.11 -2.75 -0.24 0.00 -0.03 0.00 0.00 54.58 51.67 2x49 n ASN 409 Cb 0.16 -0.39 -0.14 0.00 -0.61 0.00 0.00 39.78 38.80 2x49 n ASN 409 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2x49 s SER 410 N -2.47 2.29 -0.01 6.41 0.01 -1.22 -1.26 113.70 117.46 2x49 s SER 410 Ca 0.35 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2x49 s SER 410 Cb 0.37 -0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.44 2x49 s SER 410 CO -0.12 0.10 -0.00 -0.63 0.41 0.00 0.00 173.24 173.00 2x49 s ILE 411 N -0.90 0.08 -0.09 1.44 -1.09 -0.21 -4.07 121.20 116.36 2x49 s ILE 411 Ca 0.06 0.01 0.03 0.00 -2.23 0.00 0.00 60.65 58.52 2x49 s ILE 411 Cb -0.09 -0.11 -0.02 0.00 -1.58 0.00 0.00 42.46 40.67 2x49 s ILE 411 CO 0.02 0.05 -0.17 -0.69 -1.23 0.00 0.00 174.94 172.92 2x49 s VAL 412 N 0.28 2.75 -0.24 2.92 1.01 -0.34 -0.01 120.40 126.77 2x49 s VAL 412 Ca -0.02 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 2x49 s VAL 412 Cb -0.04 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 2x49 s VAL 412 CO -0.01 0.56 0.16 -0.22 0.00 0.00 0.00 175.10 175.59 2x49 s LEU 413 N -0.09 4.09 -0.14 3.92 2.96 -0.11 -0.22 118.68 129.08 2x49 s LEU 413 Ca -0.03 0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 2x49 s LEU 413 Cb -0.14 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 2x49 s LEU 413 CO 0.04 0.06 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.29 2x49 s LEU 414 N 1.10 3.05 -0.14 -0.68 1.43 -0.10 -0.96 118.68 122.38 2x49 s LEU 414 Ca 0.07 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 2x49 s LEU 414 Cb -0.14 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.37 2x49 s LEU 414 CO 0.05 0.18 -0.19 -0.63 0.23 0.00 0.00 176.35 175.99 2x49 s ILE 415 N 0.30 2.34 -1.55 -0.59 1.01 -0.68 -2.15 121.20 119.87 2x49 s ILE 415 Ca -0.06 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 2x49 s ILE 415 Cb -0.15 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.37 2x49 s ILE 415 CO 0.04 0.53 0.18 0.59 0.00 0.00 0.00 174.94 176.28 2x49 n ASN 416 N 4.03 -5.53 -0.14 3.58 3.02 -1.26 -1.44 115.26 117.53 2x49 n ASN 416 Ca -0.19 -0.09 -0.02 0.00 -0.03 0.00 0.00 54.58 54.24 2x49 n ASN 416 Cb 0.52 -4.51 -0.01 0.00 -0.61 0.00 0.00 39.78 35.17 2x49 n ASN 416 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2x49 n GLU 417 N -3.10 -1.22 -4.25 3.52 1.02 -1.26 -4.97 120.64 110.37 2x49 n GLU 417 Ca -0.19 0.40 -0.34 0.00 -0.02 0.00 0.00 57.16 57.01 2x49 n GLU 417 Cb 0.65 -4.37 -0.10 0.00 -0.02 0.00 0.00 31.44 27.60 2x49 n GLU 417 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2x49 s ILE 418 N -1.52 4.38 0.13 -3.67 1.01 -0.52 -5.02 121.20 115.99 2x49 s ILE 418 Ca 0.00 -0.20 -0.31 0.00 0.00 0.00 0.00 60.65 60.14 2x49 s ILE 418 Cb 0.00 -2.91 -0.10 0.00 0.01 0.00 0.00 42.46 39.46 2x49 s ILE 418 CO 0.00 0.53 1.71 -0.13 0.00 0.00 0.00 174.94 177.05 2x49 s ARG 419 N -0.17 4.17 -0.18 2.79 0.52 -1.26 -1.69 118.95 123.13 2x49 s ARG 419 Ca 0.05 2.46 -0.04 0.00 -0.52 0.00 0.00 55.73 57.68 2x49 s ARG 419 Cb -0.12 -3.44 -0.09 0.00 0.52 0.00 0.00 34.95 31.82 2x49 s ARG 419 CO 0.02 -0.75 -0.20 0.28 0.02 0.00 0.00 175.30 174.67 2x49 n VAL 420 N 4.48 1.00 -3.64 3.52 0.31 -0.14 -4.92 118.33 118.93 2x49 n VAL 420 Ca 0.16 -0.31 -0.15 0.00 -0.01 0.00 0.00 64.34 64.03 2x49 n VAL 420 Cb 0.39 -1.45 -0.08 0.00 -0.91 0.00 0.00 33.84 31.79 2x49 n VAL 420 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2x49 s GLU 421 N -2.34 0.81 -0.15 5.55 0.41 -1.18 -5.03 118.70 116.77 2x49 s GLU 421 Ca -0.25 0.32 -0.01 0.00 -0.41 0.00 0.00 54.97 54.62 2x49 s GLU 421 Cb 0.08 0.38 -0.01 0.00 -1.78 0.00 0.00 34.13 32.80 2x49 s GLU 421 CO 0.36 -0.20 -0.11 -1.14 -0.49 0.00 0.00 175.26 173.68 2x49 s GLN 422 N -0.70 3.40 0.00 1.61 0.74 -1.26 -0.94 119.66 122.51 2x49 s GLN 422 Ca -0.08 -0.66 0.02 0.00 0.05 0.00 0.00 55.36 54.68 2x49 s GLN 422 Cb -0.03 -2.72 -0.04 0.00 1.10 0.00 0.00 33.01 31.32 2x49 s GLN 422 CO 0.05 0.13 0.00 -0.06 -0.55 0.00 0.00 175.29 174.86 2x49 s PHE 423 N 0.58 3.07 -0.24 1.67 0.08 0.99 -4.98 117.98 119.16 2x49 s PHE 423 Ca -0.07 0.08 -0.06 0.00 0.12 0.00 0.00 56.93 57.00 2x49 s PHE 423 Cb -0.15 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 2x49 s PHE 423 CO 0.03 0.46 0.04 0.99 -0.10 0.00 0.00 175.22 176.64 2x49 s THR 424 N -1.09 4.01 -0.16 0.64 2.01 -1.26 -1.04 115.64 118.74 2x49 s THR 424 Ca 0.20 -0.29 -0.00 0.00 0.31 0.00 0.00 61.69 61.90 2x49 s THR 424 Cb -0.12 -2.87 0.04 0.00 0.01 0.00 0.00 72.50 69.56 2x49 s THR 424 CO 0.11 0.35 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.62 2x49 s VAL 425 N 1.57 1.21 -0.96 3.82 1.01 -0.39 -5.01 120.40 121.66 2x49 s VAL 425 Ca 0.06 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 2x49 s VAL 425 Cb -0.15 -1.32 0.11 0.00 0.00 0.00 0.00 36.38 35.02 2x49 s VAL 425 CO 0.01 0.22 1.23 -0.31 0.00 0.00 0.00 175.10 176.24 2x49 s TYR 426 N 1.60 2.95 0.51 5.22 2.02 -1.26 -4.42 117.35 123.97 2x49 s TYR 426 Ca 0.02 -1.23 0.22 0.00 -0.37 0.00 0.00 57.07 55.70 2x49 s TYR 426 Cb -0.15 -4.41 1.32 0.00 -0.40 0.00 0.00 41.96 38.32 2x49 s TYR 426 CO -0.08 -1.62 2.02 0.74 -1.57 0.00 0.00 175.55 175.03 2x49 h PHE 427 N 9.11 0.08 -0.12 2.71 0.04 -1.92 -0.37 116.94 126.46 2x49 h PHE 427 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 2x49 h PHE 427 Cb 1.02 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.14 2x49 h PHE 427 CO 1.20 0.03 0.00 -0.25 -0.60 0.00 0.00 178.31 178.69 2x49 n ASP 428 N -4.42 2.65 -4.68 2.17 8.00 -1.26 -4.73 116.55 114.27 2x49 n ASP 428 Ca 0.08 -1.86 -0.32 0.00 0.71 0.00 0.00 54.79 53.39 2x49 n ASP 428 Cb 0.49 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.46 2x49 n ASP 428 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2x49 n LEU 429 N 1.03 0.00 -4.27 0.64 4.77 -0.15 -4.75 117.00 114.27 2x49 n LEU 429 Ca 0.16 -3.15 -0.30 0.00 -0.03 0.00 0.00 56.01 52.69 2x49 n LEU 429 Cb 0.52 0.33 -0.16 0.00 -2.33 0.00 0.00 43.42 41.78 2x49 n LEU 429 CO 0.15 -0.46 -0.56 -0.04 -1.33 0.00 0.00 177.39 175.16 2x49 s MET 430 N -3.86 2.13 -0.06 3.23 -1.94 -0.38 -4.10 119.30 114.33 2x49 s MET 430 Ca 0.02 -0.87 -0.18 0.00 -1.71 0.00 0.00 55.69 52.95 2x49 s MET 430 Cb -0.00 -1.97 -0.05 0.00 2.01 0.00 0.00 34.83 34.82 2x49 s MET 430 CO 0.01 0.47 0.49 0.50 -0.01 0.00 0.00 175.02 176.49 2x49 s ARG 431 N -0.43 4.25 -0.60 2.03 3.52 0.06 -0.91 118.95 126.87 2x49 s ARG 431 Ca 0.05 0.52 -0.21 0.00 -0.13 0.00 0.00 55.73 55.96 2x49 s ARG 431 Cb -0.11 -3.37 0.07 0.00 -1.56 0.00 0.00 34.95 29.99 2x49 s ARG 431 CO 0.00 0.33 0.83 0.08 -0.81 0.00 0.00 175.30 175.73 2x49 s VAL 432 N 0.04 4.57 0.09 7.11 1.01 -0.07 -0.52 120.40 132.62 2x49 s VAL 432 Ca 0.27 -0.46 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 2x49 s VAL 432 Cb -0.16 -4.54 -0.08 0.00 0.00 0.00 0.00 36.38 31.60 2x49 s VAL 432 CO 0.13 -1.20 1.51 0.58 0.00 0.00 0.00 175.10 176.12 2x49 h VAL 433 N 5.95 1.26 -1.63 2.92 2.07 -1.41 -3.16 116.25 122.25 2x49 h VAL 433 Ca -0.28 -0.94 -0.70 0.00 0.82 0.00 0.00 66.70 65.60 2x49 h VAL 433 Cb 1.08 1.37 -0.32 0.00 -1.52 0.00 0.00 31.29 31.90 2x49 h VAL 433 CO 1.11 0.30 0.52 -0.46 0.02 0.00 0.00 177.57 179.05 2x49 n ASN 434 N -4.61 6.78 -4.61 0.57 6.94 -1.26 -4.67 115.26 114.40 2x49 n ASN 434 Ca -0.03 -3.80 -0.41 0.00 -0.02 0.00 0.00 54.58 50.31 2x49 n ASN 434 Cb 0.25 -0.87 0.01 0.00 -2.36 0.00 0.00 39.78 36.81 2x49 n ASN 434 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2x49 n TYR 435 N -0.61 1.18 -4.10 -2.53 9.36 -1.19 -4.89 117.16 114.38 2x49 n TYR 435 Ca 0.52 0.56 -0.08 0.00 3.32 0.00 0.00 57.90 62.22 2x49 n TYR 435 Cb 0.45 -2.23 -0.10 0.00 -0.63 0.00 0.00 39.34 36.83 2x49 n TYR 435 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 2x49 s SER 436 N -0.74 0.44 0.48 2.98 1.04 -1.26 -4.64 113.70 111.99 2x49 s SER 436 Ca 0.63 -1.05 0.32 0.00 0.48 0.00 0.00 55.95 56.34 2x49 s SER 436 Cb -0.56 0.23 1.60 0.00 0.10 0.00 0.00 66.02 67.39 2x49 s SER 436 CO 0.57 -0.64 1.98 0.44 0.98 0.00 0.00 173.24 176.57 2x49 h ASP 437 N 3.07 0.00 -0.24 7.02 3.32 -1.99 -0.57 116.42 127.02 2x49 h ASP 437 Ca -0.34 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.78 2x49 h ASP 437 Cb 1.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 2x49 h ASP 437 CO 0.64 0.00 0.28 -0.08 -1.72 0.00 0.00 179.24 178.36 2x49 h GLU 438 N 0.00 0.00 -0.65 3.56 4.81 -2.01 -1.75 114.58 118.54 2x49 h GLU 438 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2x49 h GLU 438 Cb 0.19 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 2x49 h GLU 438 CO 0.00 0.00 0.22 0.28 -0.73 0.00 0.00 179.01 178.78 2x49 h VAL 439 N 0.00 1.24 0.00 0.32 2.07 -1.47 -1.56 116.25 116.84 2x49 h VAL 439 Ca 0.12 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 2x49 h VAL 439 Cb 0.68 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2x49 h VAL 439 CO -0.00 0.31 -0.35 0.58 0.02 0.00 0.00 177.57 178.13 2x49 h VAL 440 N 0.95 0.92 0.00 2.57 2.07 -1.44 -2.44 116.25 118.89 2x49 h VAL 440 Ca 0.22 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 2x49 h VAL 440 Cb 0.24 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2x49 h VAL 440 CO -0.01 0.34 -0.00 0.28 0.02 0.00 0.00 177.57 178.19 2x49 h SER 441 N 0.00 0.00 0.03 0.57 0.02 -1.33 -1.97 113.55 110.87 2x49 h SER 441 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2x49 h SER 441 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2x49 h SER 441 CO 0.04 0.00 -0.05 0.49 -1.14 0.00 0.00 176.83 176.18 2x49 n PHE 442 N -4.03 0.00 -0.45 3.45 3.72 -0.92 -4.89 117.46 114.34 2x49 n PHE 442 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2x49 n PHE 442 Cb 0.09 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 2x49 n PHE 442 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2x49 n GLY 443 N 1.22 0.73 3.74 1.37 0.00 -0.74 -5.06 105.19 106.44 2x49 n GLY 443 Ca 0.17 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 2x49 n GLY 443 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x49 s ILE 444 N -2.00 5.35 -0.48 -0.61 1.01 -1.20 -5.05 121.20 118.21 2x49 s ILE 444 Ca 0.00 0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.94 2x49 s ILE 444 Cb 0.00 -3.57 0.11 0.00 0.01 0.00 0.00 42.46 39.02 2x49 s ILE 444 CO 0.00 0.42 0.38 0.20 0.00 0.00 0.00 174.94 175.94 2x49 s ASN 445 N 0.33 5.86 0.78 3.58 0.01 -1.26 -3.97 114.94 120.27 2x49 s ASN 445 Ca 0.13 -1.78 -0.11 0.00 -0.71 0.00 0.00 52.86 50.39 2x49 s ASN 445 Cb -0.12 -2.08 0.06 0.00 0.41 0.00 0.00 41.25 39.52 2x49 s ASN 445 CO 0.02 -0.72 1.09 -2.16 -1.51 0.00 0.00 177.10 173.82 2x49 s PRO 446 N 1.46 2.23 -0.19 -0.60 0.04 -1.26 -5.00 135.00 131.67 2x49 s PRO 446 Ca 0.04 0.69 -0.17 0.00 0.04 0.00 0.00 61.00 61.60 2x49 s PRO 446 Cb -0.27 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 2x49 s PRO 446 CO 0.01 -1.53 0.44 0.99 0.04 0.00 0.00 177.00 176.95 2x49 s THR 447 N -3.14 5.17 -0.11 1.26 2.01 0.40 -4.92 115.64 116.32 2x49 s THR 447 Ca 0.60 0.80 0.03 0.00 0.31 0.00 0.00 61.69 63.44 2x49 s THR 447 Cb -0.14 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.60 2x49 s THR 447 CO 0.54 0.24 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.86 2x49 s ILE 448 N 1.34 1.95 -0.01 1.82 1.01 -1.26 -0.25 121.20 125.82 2x49 s ILE 448 Ca 0.21 -0.95 0.08 0.00 0.00 0.00 0.00 60.65 59.99 2x49 s ILE 448 Cb -0.15 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 2x49 s ILE 448 CO 0.09 0.53 -0.24 -2.28 0.00 0.00 0.00 174.94 173.04 2x49 s HIS 449 N 0.51 2.39 -0.02 3.97 2.46 -0.45 -4.99 115.29 119.17 2x49 s HIS 449 Ca -0.15 -0.39 0.07 0.00 0.47 0.00 0.00 55.06 55.06 2x49 s HIS 449 Cb -0.17 -1.49 -0.02 0.00 -0.13 0.00 0.00 32.58 30.77 2x49 s HIS 449 CO 0.05 0.04 -0.23 -1.14 -2.47 0.00 0.00 174.74 171.00 2x49 s GLN 450 N -0.81 1.92 -0.20 2.88 0.74 -1.26 -0.15 119.66 122.78 2x49 s GLN 450 Ca 0.11 -0.81 -0.03 0.00 0.05 0.00 0.00 55.36 54.68 2x49 s GLN 450 Cb -0.10 -1.81 0.06 0.00 1.10 0.00 0.00 33.01 32.26 2x49 s GLN 450 CO 0.00 0.46 0.05 -1.14 -0.55 0.00 0.00 175.29 174.11 2x49 s GLN 451 N -0.45 0.58 7.66 1.67 2.00 0.10 -5.01 119.66 126.21 2x49 s GLN 451 Ca 0.06 -0.41 0.00 0.00 -2.00 0.00 0.00 55.36 53.01 2x49 s GLN 451 Cb -0.10 -2.06 0.00 0.00 0.80 0.00 0.00 33.01 31.66 2x49 s GLN 451 CO -0.00 -0.67 0.00 0.41 -0.50 0.00 0.00 175.29 174.53 2x49 n GLY 452 N 5.07 3.08 0.99 2.59 0.00 -1.26 -1.70 105.19 113.96 2x49 n GLY 452 Ca -0.08 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 45.86 2x49 n GLY 452 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2x49 n SER 453 N 7.37 3.17 -4.74 1.61 3.41 -1.26 -4.95 113.62 118.24 2x49 n SER 453 Ca 0.00 -1.92 -0.40 0.00 -0.26 0.00 0.00 58.87 56.28 2x49 n SER 453 Cb 0.00 -0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 63.70 2x49 n SER 453 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2x49 s SER 454 N -1.37 7.39 0.05 4.04 0.01 -0.69 -4.83 113.70 118.31 2x49 s SER 454 Ca 0.33 1.66 0.09 0.00 1.31 0.00 0.00 55.95 59.34 2x49 s SER 454 Cb 0.19 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 2x49 s SER 454 CO 0.27 0.01 -0.26 -1.10 0.41 0.00 0.00 173.24 172.57 2x49 s GLN 455 N -0.23 1.80 -0.06 12.44 -0.21 -1.26 -0.72 119.66 131.42 2x49 s GLN 455 Ca 0.42 -1.12 0.03 0.00 0.02 0.00 0.00 55.36 54.72 2x49 s GLN 455 Cb -0.22 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 31.80 2x49 s GLN 455 CO 0.27 0.51 -0.15 0.71 -2.12 0.00 0.00 175.29 174.51 2x49 s TYR 456 N -0.84 1.64 -0.13 0.91 2.02 0.79 -3.67 117.35 118.07 2x49 s TYR 456 Ca 0.12 -0.55 0.03 0.00 -0.37 0.00 0.00 57.07 56.30 2x49 s TYR 456 Cb -0.10 -1.14 0.01 0.00 -0.40 0.00 0.00 41.96 40.33 2x49 s TYR 456 CO 0.03 -0.23 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.50 2x49 s PHE 457 N 0.34 2.57 0.02 2.71 0.08 -1.26 -1.33 117.98 121.10 2x49 s PHE 457 Ca -0.10 -1.24 0.07 0.00 0.12 0.00 0.00 56.93 55.79 2x49 s PHE 457 Cb -0.14 -1.75 -0.02 0.00 -0.57 0.00 0.00 43.02 40.54 2x49 s PHE 457 CO 0.03 -0.56 -0.22 -1.58 -0.10 0.00 0.00 175.22 172.79 2x49 s TRP 458 N 0.73 1.98 0.23 0.36 0.52 0.66 -0.89 118.94 122.53 2x49 s TRP 458 Ca -0.10 -0.38 0.02 0.00 0.02 0.00 0.00 56.10 55.66 2x49 s TRP 458 Cb -0.16 -1.22 -0.05 0.00 -1.15 0.00 0.00 33.47 30.89 2x49 s TRP 458 CO 0.00 0.05 0.05 0.14 0.02 0.00 0.00 176.95 177.21 2x49 s VAL 459 N -0.69 0.69 0.92 4.03 -7.23 -0.09 -0.45 120.40 117.58 2x49 s VAL 459 Ca 0.09 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.14 2x49 s VAL 459 Cb -0.09 -2.42 0.14 0.00 0.56 0.00 0.00 36.38 34.57 2x49 s VAL 459 CO 0.01 -0.21 1.09 0.42 -0.31 0.00 0.00 175.10 176.10 2x49 s THR 460 N -3.65 2.58 0.19 5.32 -4.23 -1.26 -1.25 115.64 113.33 2x49 s THR 460 Ca 0.32 0.19 -0.12 0.00 -1.18 0.00 0.00 61.69 60.90 2x49 s THR 460 Cb 0.07 -2.59 0.11 0.00 1.34 0.00 0.00 72.50 71.43 2x49 s THR 460 CO 0.10 -0.25 1.81 0.45 -0.54 0.00 0.00 174.62 176.19 2x49 h HIS 461 N -1.66 0.89 -0.70 3.99 3.86 -1.94 0.51 115.15 120.11 2x49 h HIS 461 Ca -0.50 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 58.64 2x49 h HIS 461 Cb 1.28 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 29.44 2x49 h HIS 461 CO 0.43 0.62 0.19 1.49 0.86 0.00 0.00 177.93 181.52 2x49 h GLU 462 N 0.89 1.10 -0.26 2.45 4.81 -2.00 -2.03 114.58 119.55 2x49 h GLU 462 Ca 0.23 -0.25 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 2x49 h GLU 462 Cb 0.02 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2x49 h GLU 462 CO -0.04 0.96 -0.30 0.93 -0.73 0.00 0.00 179.01 179.83 2x49 h GLU 463 N 1.04 0.52 -0.64 1.92 5.08 -1.79 -2.67 114.58 118.05 2x49 h GLU 463 Ca 0.22 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2x49 h GLU 463 Cb 0.34 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 2x49 h GLU 463 CO -0.00 0.77 0.36 0.78 -1.00 0.00 0.00 179.01 179.91 2x49 h GLY 464 N 1.04 0.94 1.08 -3.84 0.00 -0.48 0.63 103.07 102.45 2x49 h GLY 464 Ca 0.06 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 2x49 h GLY 464 CO 0.06 0.40 0.06 0.83 0.00 0.00 0.00 176.54 177.90 2x49 h GLU 465 N 0.87 1.10 -0.24 4.80 4.39 -1.05 0.11 114.58 124.55 2x49 h GLU 465 Ca 0.22 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.62 2x49 h GLU 465 Cb 0.03 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 2x49 h GLU 465 CO -0.04 1.03 0.14 -0.22 -1.16 0.00 0.00 179.01 178.76 2x49 h LYS 466 N 1.02 0.28 -0.31 2.33 3.64 -1.21 -2.96 116.57 119.35 2x49 h LYS 466 Ca 0.19 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 2x49 h LYS 466 Cb 0.50 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2x49 h LYS 466 CO 0.02 0.18 -0.10 -0.07 -2.27 0.00 0.00 179.45 177.21 2x49 h LEU 467 N 0.29 0.51 -1.65 5.20 3.38 0.19 -2.52 115.31 120.70 2x49 h LEU 467 Ca 0.09 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2x49 h LEU 467 Cb -0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2x49 h LEU 467 CO -0.05 0.65 0.25 0.03 0.09 0.00 0.00 178.44 179.42 2x49 h ARG 468 N 0.49 0.46 0.00 1.13 3.08 -0.66 -0.69 114.38 118.19 2x49 h ARG 468 Ca 0.09 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2x49 h ARG 468 Cb 0.48 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2x49 h ARG 468 CO 0.03 0.30 0.00 0.93 -1.07 0.00 0.00 179.97 180.16 2x49 h GLU 469 N 0.47 0.00 -0.20 0.04 4.39 -1.45 0.12 114.58 117.96 2x49 h GLU 469 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 2x49 h GLU 469 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2x49 h GLU 469 CO -0.03 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.10 2x49 n LEU 470 N -2.52 2.93 0.00 1.33 4.77 -0.30 -4.96 117.00 118.25 2x49 n LEU 470 Ca 0.02 -1.29 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 2x49 n LEU 470 Cb 0.30 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2x49 n LEU 470 CO 0.24 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 2x49 n GLY 471 N 1.16 0.81 3.77 -0.72 0.00 0.03 -5.06 105.19 105.19 2x49 n GLY 471 Ca 0.14 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 2x49 n GLY 471 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2x49 s TYR 472 N -2.00 2.88 -0.19 1.61 2.02 -1.03 -5.01 117.35 115.63 2x49 s TYR 472 Ca 0.00 1.53 -0.07 0.00 -0.37 0.00 0.00 57.07 58.16 2x49 s TYR 472 Cb 0.00 -3.41 -0.04 0.00 -0.40 0.00 0.00 41.96 38.11 2x49 s TYR 472 CO 0.00 -1.56 0.05 0.08 -1.57 0.00 0.00 175.55 172.54 2x49 s VAL 473 N -1.50 4.54 0.07 0.71 1.01 -1.26 -4.32 120.40 119.66 2x49 s VAL 473 Ca 0.63 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.54 2x49 s VAL 473 Cb -0.30 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2x49 s VAL 473 CO 0.37 0.44 -0.08 -0.76 0.00 0.00 0.00 175.10 175.07 2x49 s LEU 474 N 0.59 3.12 -0.06 3.92 1.43 -1.26 -1.10 118.68 125.32 2x49 s LEU 474 Ca 0.02 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 2x49 s LEU 474 Cb -0.13 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.22 2x49 s LEU 474 CO 0.02 0.21 -0.15 -0.60 0.23 0.00 0.00 176.35 176.05 2x49 s ARG 475 N -1.97 1.90 0.74 1.70 3.52 0.32 -4.94 118.95 120.24 2x49 s ARG 475 Ca 0.21 -0.54 -0.11 0.00 -0.13 0.00 0.00 55.73 55.15 2x49 s ARG 475 Cb -0.11 -1.57 0.04 0.00 -1.56 0.00 0.00 34.95 31.75 2x49 s ARG 475 CO 0.12 0.13 1.09 0.54 -0.81 0.00 0.00 175.30 176.37 2x49 s ASN 476 N 0.39 4.71 0.19 -2.12 2.20 -1.26 -0.76 114.94 118.29 2x49 s ASN 476 Ca -0.11 1.83 -0.10 0.00 -0.94 0.00 0.00 52.86 53.54 2x49 s ASN 476 Cb -0.14 -2.52 0.11 0.00 -2.00 0.00 0.00 41.25 36.69 2x49 s ASN 476 CO 0.04 -1.90 1.73 0.00 -2.94 0.00 0.00 177.10 174.03 2x49 h ALA 477 N -0.87 0.89 -0.03 3.54 0.00 -1.85 -0.86 119.26 120.07 2x49 h ALA 477 Ca -0.44 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.14 2x49 h ALA 477 Cb 1.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2x49 h ALA 477 CO 0.52 0.55 -0.55 -0.07 0.00 0.00 0.00 179.25 179.70 2x49 h LEU 478 N 0.98 0.11 -0.54 0.00 3.38 -1.92 -1.05 115.31 116.27 2x49 h LEU 478 Ca 0.22 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 2x49 h LEU 478 Cb 0.27 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2x49 h LEU 478 CO -0.01 0.64 -0.38 0.44 0.09 0.00 0.00 178.44 179.22 2x49 h ASP 479 N 0.07 0.81 -0.52 -0.43 3.32 -1.81 -1.18 116.42 116.69 2x49 h ASP 479 Ca -0.00 -0.36 -0.12 0.00 0.02 0.00 0.00 57.03 56.56 2x49 h ASP 479 Cb 1.00 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 2x49 h ASP 479 CO 0.08 1.10 -0.16 -0.08 -1.72 0.00 0.00 179.24 178.46 2x49 h GLU 480 N 0.63 1.03 -0.49 3.56 4.57 -0.85 -2.02 114.58 121.01 2x49 h GLU 480 Ca 0.06 -0.41 -0.07 0.00 -1.18 0.00 0.00 59.36 57.76 2x49 h GLU 480 Cb 0.93 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.45 2x49 h GLU 480 CO 0.09 1.09 0.02 1.25 -1.18 0.00 0.00 179.01 180.28 2x49 h LEU 481 N 0.90 0.83 -0.40 1.64 5.85 -0.95 -0.48 115.31 122.69 2x49 h LEU 481 Ca 0.13 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2x49 h LEU 481 Cb 0.73 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2x49 h LEU 481 CO 0.06 0.92 0.26 0.22 -0.34 0.00 0.00 178.44 179.56 2x49 h TYR 482 N 0.71 0.50 -0.31 1.25 3.20 -1.18 -1.03 116.97 120.11 2x49 h TYR 482 Ca 0.14 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.04 2x49 h TYR 482 Cb 0.48 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 2x49 h TYR 482 CO 0.04 0.32 0.18 1.25 -1.64 0.00 0.00 178.16 178.30 2x49 h HIS 483 N 0.54 0.33 -0.21 -3.82 2.76 -0.72 0.16 115.15 114.20 2x49 h HIS 483 Ca 0.15 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.37 2x49 h HIS 483 Cb -0.06 -0.11 -0.05 0.00 1.55 0.00 0.00 27.41 28.75 2x49 h HIS 483 CO -0.05 0.20 -0.08 0.00 -1.30 0.00 0.00 177.93 176.70 2x49 h LEU 485 N -0.04 0.72 -0.48 0.00 3.38 -0.83 -2.57 115.31 115.48 2x49 h LEU 485 Ca 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2x49 h LEU 485 Cb 0.21 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2x49 h LEU 485 CO -0.24 0.73 0.21 0.00 0.09 0.00 0.00 178.44 179.23 2x49 h ALA 486 N 1.01 0.62 -0.76 1.53 0.00 -0.34 0.18 119.26 121.51 2x49 h ALA 486 Ca 0.16 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2x49 h ALA 486 Cb 0.27 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2x49 h ALA 486 CO -0.01 0.21 0.49 0.28 0.00 0.00 0.00 179.25 180.22 2x49 h VAL 487 N 0.63 1.15 -0.07 0.00 2.07 -1.10 0.48 116.25 119.40 2x49 h VAL 487 Ca 0.16 -0.34 -0.23 0.00 0.82 0.00 0.00 66.70 67.12 2x49 h VAL 487 Cb 0.16 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.02 2x49 h VAL 487 CO -0.02 0.18 -0.86 0.74 0.02 0.00 0.00 177.57 177.63 2x49 h THR 488 N 0.98 1.32 -0.35 2.57 2.02 -1.02 -2.73 112.91 115.69 2x49 h THR 488 Ca 0.29 -2.16 -0.15 0.00 0.77 0.00 0.00 66.41 65.16 2x49 h THR 488 Cb -0.05 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 2x49 h THR 488 CO -0.09 0.67 -0.39 -0.07 0.37 0.00 0.00 175.52 176.01 2x49 h LEU 489 N 0.39 0.90 -0.35 2.58 3.38 -0.39 -2.87 115.31 118.95 2x49 h LEU 489 Ca -0.07 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.53 2x49 h LEU 489 Cb 1.49 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 2x49 h LEU 489 CO 0.16 1.18 0.11 0.00 0.09 0.00 0.00 178.44 179.98 2x49 h ALA 490 N 0.86 0.40 -0.15 1.53 0.00 -0.86 -2.11 119.26 118.94 2x49 h ALA 490 Ca 0.06 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2x49 h ALA 490 Cb 0.96 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2x49 h ALA 490 CO 0.09 -0.29 0.10 -0.09 0.00 0.00 0.00 179.25 179.06 2x49 h ARG 491 N 0.25 0.12 -0.61 0.00 2.43 -1.35 -2.33 114.38 112.89 2x49 h ARG 491 Ca 0.16 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.17 2x49 h ARG 491 Cb 0.15 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.58 2x49 h ARG 491 CO -0.18 0.08 0.17 0.09 -1.51 0.00 0.00 179.97 178.62 2x49 n ASN 492 N -4.51 4.52 -0.22 -3.80 3.02 -0.83 -4.67 115.26 108.77 2x49 n ASN 492 Ca -0.00 -3.22 0.19 0.00 -0.03 0.00 0.00 54.58 51.52 2x49 n ASN 492 Cb 0.14 -0.70 0.53 0.00 -0.61 0.00 0.00 39.78 39.15 2x49 n ASN 492 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2x49 h VAL 493 N 2.46 0.68 0.00 2.41 3.04 -1.06 -0.70 116.25 123.09 2x49 h VAL 493 Ca 0.20 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.76 2x49 h VAL 493 Cb 2.09 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 2x49 h VAL 493 CO 0.60 0.07 0.00 0.59 -1.01 0.00 0.00 177.57 177.81 2x49 n ASN 494 N -4.48 0.43 0.21 3.17 4.13 -1.26 -1.76 115.26 115.70 2x49 n ASN 494 Ca 0.18 0.64 0.09 0.00 1.68 0.00 0.00 54.58 57.17 2x49 n ASN 494 Cb 0.70 -0.72 0.30 0.00 -1.54 0.00 0.00 39.78 38.52 2x49 n ASN 494 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2x49 h GLU 495 N 0.00 0.00 0.00 3.52 4.39 -1.51 -3.37 114.58 117.60 2x49 h GLU 495 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2x49 h GLU 495 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2x49 h GLU 495 CO 0.00 0.23 0.00 2.48 -1.16 0.00 0.00 179.01 180.56 2x49 n TYR 496 N -3.25 0.00 -3.77 4.33 0.18 -0.79 -4.91 117.16 108.95 2x49 n TYR 496 Ca 0.02 -0.02 -0.14 0.00 1.88 0.00 0.00 57.90 59.63 2x49 n TYR 496 Cb 0.52 -0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.32 2x49 n TYR 496 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 2x49 s PHE 497 N -0.04 -0.02 0.00 -3.48 5.36 -0.72 -4.31 117.98 114.76 2x49 s PHE 497 Ca 0.00 0.21 0.00 0.00 -0.96 0.00 0.00 56.93 56.18 2x49 s PHE 497 Cb 0.00 -0.18 0.00 0.00 -0.34 0.00 0.00 43.02 42.50 2x49 s PHE 497 CO 0.00 -0.10 0.00 0.41 -1.46 0.00 0.00 175.22 174.07 2x49 n GLY 498 N 4.11 3.66 0.29 13.12 0.00 -1.26 -4.55 105.19 120.55 2x49 n GLY 498 Ca -0.26 -0.48 -0.05 0.00 0.00 0.00 0.00 46.02 45.23 2x49 n GLY 498 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2x49 h ILE 499 N 0.00 1.24 -0.51 -0.61 1.08 -1.95 -0.89 117.51 115.87 2x49 h ILE 499 Ca 0.00 -1.03 -0.06 0.00 -0.39 0.00 0.00 64.86 63.38 2x49 h ILE 499 Cb 0.00 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 2x49 h ILE 499 CO 0.00 0.36 0.09 1.56 -0.69 0.00 0.00 178.15 179.48 2x49 h GLN 500 N 0.74 0.84 -0.46 2.37 1.08 -1.99 0.14 115.11 117.83 2x49 h GLN 500 Ca 0.14 -0.22 -0.10 0.00 -1.45 0.00 0.00 58.65 57.02 2x49 h GLN 500 Cb 0.47 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 2x49 h GLN 500 CO 0.02 0.82 -0.11 0.93 -0.95 0.00 0.00 178.83 179.54 2x49 h GLU 501 N 0.72 0.88 -0.64 1.46 3.07 -1.88 -2.40 114.58 115.79 2x49 h GLU 501 Ca 0.16 -0.34 -0.01 0.00 -0.50 0.00 0.00 59.36 58.67 2x49 h GLU 501 Cb 0.38 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 2x49 h GLU 501 CO 0.01 0.98 0.37 1.15 -1.40 0.00 0.00 179.01 180.12 2x49 h THR 502 N 0.72 1.20 -0.17 1.13 2.02 -0.93 -1.80 112.91 115.08 2x49 h THR 502 Ca 0.12 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 2x49 h THR 502 Cb 0.65 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2x49 h THR 502 CO 0.05 0.21 -0.16 0.50 0.37 0.00 0.00 175.52 176.48 2x49 h LYS 503 N 0.88 0.29 -0.34 6.66 1.63 -0.54 0.19 116.57 125.34 2x49 h LYS 503 Ca 0.23 -0.08 -0.11 0.00 -0.85 0.00 0.00 60.65 59.85 2x49 h LYS 503 Cb 0.01 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 2x49 h LYS 503 CO -0.04 0.45 -0.20 1.25 -3.45 0.00 0.00 179.45 177.46 2x49 h HIS 504 N 0.27 0.86 -0.51 1.91 2.76 -1.01 -0.87 115.15 118.56 2x49 h HIS 504 Ca 0.05 -0.23 -0.08 0.00 -2.20 0.00 0.00 60.37 57.92 2x49 h HIS 504 Cb 0.45 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 2x49 h HIS 504 CO 0.01 0.96 -0.01 0.52 -1.30 0.00 0.00 177.93 178.11 2x49 h MET 505 N 0.52 0.86 -0.35 5.26 2.86 -0.51 -1.08 114.93 122.49 2x49 h MET 505 Ca 0.07 -0.25 -0.13 0.00 -2.06 0.00 0.00 59.70 57.33 2x49 h MET 505 Cb 0.75 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 2x49 h MET 505 CO 0.06 0.86 -0.32 -0.07 1.06 0.00 0.00 176.91 178.50 2x49 h LEU 506 N 0.80 0.81 -0.69 1.22 3.38 -0.72 -1.83 115.31 118.28 2x49 h LEU 506 Ca 0.15 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 2x49 h LEU 506 Cb 0.49 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2x49 h LEU 506 CO 0.02 1.06 -0.08 0.44 0.09 0.00 0.00 178.44 179.97 2x49 h ASP 507 N 0.65 0.92 -0.66 -0.43 3.32 -0.85 0.91 116.42 120.28 2x49 h ASP 507 Ca 0.07 -0.28 -0.08 0.00 0.02 0.00 0.00 57.03 56.76 2x49 h ASP 507 Cb 0.86 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 2x49 h ASP 507 CO 0.07 1.02 0.09 1.56 -1.72 0.00 0.00 179.24 180.27 2x49 h GLN 508 N 0.84 1.10 -0.07 3.56 4.20 -0.99 -2.66 115.11 121.09 2x49 h GLN 508 Ca 0.14 -0.30 -0.15 0.00 0.06 0.00 0.00 58.65 58.40 2x49 h GLN 508 Cb 0.61 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2x49 h GLN 508 CO 0.04 1.02 -0.61 1.25 -0.67 0.00 0.00 178.83 179.86 2x49 h LEU 509 N 1.02 0.27 -1.21 1.46 5.85 -0.80 -2.95 115.31 118.95 2x49 h LEU 509 Ca 0.20 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 2x49 h LEU 509 Cb 0.46 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2x49 h LEU 509 CO 0.02 0.81 -0.36 -0.08 -0.34 0.00 0.00 178.44 178.49 2x49 h GLU 510 N 0.18 0.07 0.00 1.25 4.81 -0.50 0.38 114.58 120.77 2x49 h GLU 510 Ca -0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2x49 h GLU 510 Cb 1.11 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2x49 h GLU 510 CO 0.09 0.42 0.00 0.00 -0.73 0.00 0.00 179.01 178.80 2x49 n ALA 511 N -2.47 1.52 -0.01 2.92 0.00 -1.07 -2.77 120.51 118.62 2x49 n ALA 511 Ca -0.02 0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 2x49 n ALA 511 Cb 0.41 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 2x49 n ALA 511 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2x49 n LYS 512 N -2.17 1.39 -3.22 0.00 5.02 -0.04 -4.89 118.16 114.26 2x49 n LYS 512 Ca 0.01 0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 56.07 2x49 n LYS 512 Cb 0.18 -1.04 -0.06 0.00 -0.02 0.00 0.00 35.03 34.08 2x49 n LYS 512 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2x49 n PHE 513 N -2.38 0.81 0.09 2.13 3.72 0.11 -4.99 117.46 116.95 2x49 n PHE 513 Ca -0.03 -3.75 0.03 0.00 -0.05 0.00 0.00 57.45 53.65 2x49 n PHE 513 Cb 0.55 -0.41 0.43 0.00 -0.94 0.00 0.00 39.48 39.10 2x49 n PHE 513 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2x49 h PRO 514 N 3.80 0.33 0.00 -1.08 0.11 -1.74 -2.38 132.00 131.04 2x49 h PRO 514 Ca 0.10 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 65.97 2x49 h PRO 514 Cb 0.83 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.85 2x49 h PRO 514 CO 0.56 0.33 -0.92 -0.44 -0.21 0.00 0.00 178.00 177.33 2x49 h ASP 515 N 0.33 0.01 -0.35 -2.05 5.19 -1.94 -1.65 116.42 115.96 2x49 h ASP 515 Ca 0.08 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.39 2x49 h ASP 515 Cb 0.18 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 2x49 h ASP 515 CO 0.00 0.92 -0.13 0.25 -3.12 0.00 0.00 179.24 177.16 2x49 h LEU 516 N 0.00 0.71 -0.47 1.55 5.85 -1.86 -1.71 115.31 119.39 2x49 h LEU 516 Ca -0.01 -0.39 -0.08 0.00 0.84 0.00 0.00 57.88 58.24 2x49 h LEU 516 Cb 1.62 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 2x49 h LEU 516 CO 0.12 0.94 -0.04 0.25 -0.34 0.00 0.00 178.44 179.37 2x49 h LEU 517 N 0.48 0.84 -0.55 2.25 5.85 -1.37 -1.97 115.31 120.85 2x49 h LEU 517 Ca 0.08 -0.33 0.10 0.00 0.84 0.00 0.00 57.88 58.57 2x49 h LEU 517 Cb 0.66 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 2x49 h LEU 517 CO 0.04 0.97 0.13 0.11 -0.34 0.00 0.00 178.44 179.35 2x49 h LYS 518 N 0.70 0.27 -0.29 1.25 1.57 -1.11 -1.54 116.57 117.41 2x49 h LYS 518 Ca 0.13 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 2x49 h LYS 518 Cb 0.56 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 2x49 h LYS 518 CO 0.03 0.18 -0.30 1.49 -0.57 0.00 0.00 179.45 180.28 2x49 h GLU 519 N 0.27 0.71 -0.81 3.15 4.57 -0.95 -2.93 114.58 118.59 2x49 h GLU 519 Ca 0.28 -0.38 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2x49 h GLU 519 Cb 0.39 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.95 2x49 h GLU 519 CO -0.35 1.00 0.51 0.28 -1.18 0.00 0.00 179.01 179.27 2x49 h VAL 520 N 0.46 1.22 0.00 0.32 2.07 -0.97 -2.64 116.25 116.71 2x49 h VAL 520 Ca 0.05 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2x49 h VAL 520 Cb 0.87 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2x49 h VAL 520 CO 0.07 0.22 0.00 0.18 0.02 0.00 0.00 177.57 178.06 2x49 n LEU 521 N -4.48 0.76 0.23 2.57 4.77 -0.62 -1.41 117.00 118.82 2x49 n LEU 521 Ca 0.08 0.62 0.15 0.00 -0.03 0.00 0.00 56.01 56.83 2x49 n LEU 521 Cb 0.04 -0.44 0.48 0.00 -2.33 0.00 0.00 43.42 41.17 2x49 n LEU 521 CO 0.37 -0.37 0.91 0.03 -1.33 0.00 0.00 177.39 177.00 2x49 h ARG 522 N 0.00 0.00 0.00 3.23 3.08 -1.29 -3.36 114.38 116.04 2x49 h ARG 522 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2x49 h ARG 522 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2x49 h ARG 522 CO 0.00 0.00 -0.53 0.72 -1.07 0.00 0.00 179.97 179.09 2x49 n HIS 523 N -2.92 0.00 -3.78 3.04 8.25 -0.53 -5.03 115.22 114.25 2x49 n HIS 523 Ca 0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.36 2x49 n HIS 523 Cb 0.38 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.36 2x49 n HIS 523 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2x49 s ALA 524 N -1.48 -0.48 0.71 -1.41 0.00 -0.50 -4.62 121.76 113.97 2x49 s ALA 524 Ca 0.00 0.68 -0.11 0.00 0.00 0.00 0.00 51.96 52.53 2x49 s ALA 524 Cb 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.72 2x49 s ALA 524 CO 0.00 -0.13 1.09 0.95 0.00 0.00 0.00 175.76 177.68 2x49 s THR 525 N 0.53 3.42 0.28 0.00 -4.23 -1.26 -4.23 115.64 110.16 2x49 s THR 525 Ca -0.04 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 2x49 s THR 525 Cb -0.05 -3.45 0.28 0.00 1.34 0.00 0.00 72.50 70.62 2x49 s THR 525 CO -0.03 -0.59 1.86 0.58 -0.54 0.00 0.00 174.62 175.90 2x49 h VAL 526 N -0.65 0.98 -0.73 2.29 2.07 -1.98 -0.17 116.25 118.06 2x49 h VAL 526 Ca -0.45 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 2x49 h VAL 526 Cb 1.26 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2x49 h VAL 526 CO 0.64 0.19 0.44 -0.61 0.02 0.00 0.00 177.57 178.25 2x49 h GLN 527 N 1.06 0.99 -0.44 1.57 5.75 -1.96 -0.45 115.11 121.63 2x49 h GLN 527 Ca 0.47 -0.09 -0.12 0.00 -0.15 0.00 0.00 58.65 58.76 2x49 h GLN 527 Cb 0.37 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 2x49 h GLN 527 CO -0.23 0.71 -0.19 -0.09 -2.65 0.00 0.00 178.83 176.38 2x49 h ARG 528 N 1.00 0.91 -0.76 1.69 9.65 -1.55 -1.34 114.38 123.97 2x49 h ARG 528 Ca 0.26 -0.39 -0.02 0.00 -1.10 0.00 0.00 59.98 58.74 2x49 h ARG 528 Cb -0.03 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.48 2x49 h ARG 528 CO -0.05 1.04 0.41 0.82 2.80 0.00 0.00 179.97 184.99 2x49 h ILE 529 N 0.74 1.23 -0.61 1.20 2.04 -0.77 -1.72 117.51 119.62 2x49 h ILE 529 Ca 0.10 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 2x49 h ILE 529 Cb 0.75 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2x49 h ILE 529 CO 0.06 0.26 0.14 -1.28 0.00 0.00 0.00 178.15 177.33 2x49 h SER 530 N 1.06 0.93 -0.51 1.72 0.87 -0.80 -1.04 113.55 115.78 2x49 h SER 530 Ca 0.27 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2x49 h SER 530 Cb 0.05 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.74 2x49 h SER 530 CO -0.04 0.93 0.34 -0.33 -0.53 0.00 0.00 176.83 177.20 2x49 h GLU 531 N 0.89 0.68 -0.29 2.24 5.08 -0.87 -0.41 114.58 121.91 2x49 h GLU 531 Ca 0.19 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.55 2x49 h GLU 531 Cb 0.37 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2x49 h GLU 531 CO 0.00 0.45 0.04 0.28 -1.00 0.00 0.00 179.01 178.78 2x49 h VAL 532 N 0.70 0.84 -0.33 3.13 2.07 -0.70 -1.70 116.25 120.25 2x49 h VAL 532 Ca 0.19 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 2x49 h VAL 532 Cb -0.08 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2x49 h VAL 532 CO -0.04 0.03 0.12 -0.07 0.02 0.00 0.00 177.57 177.62 2x49 h LEU 533 N 0.14 0.47 -0.94 2.57 3.38 -0.81 -1.20 115.31 118.92 2x49 h LEU 533 Ca 0.14 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2x49 h LEU 533 Cb 0.15 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 2x49 h LEU 533 CO -0.19 0.53 0.61 1.56 0.09 0.00 0.00 178.44 181.04 2x49 h GLN 534 N 0.39 1.16 -0.05 1.13 4.20 -0.97 -1.07 115.11 119.90 2x49 h GLN 534 Ca 0.11 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 2x49 h GLN 534 Cb 0.22 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2x49 h GLN 534 CO -0.01 0.77 -0.48 0.00 -0.67 0.00 0.00 178.83 178.44 2x49 h ARG 535 N 1.19 0.11 0.06 1.46 3.08 -0.84 -0.04 114.38 119.41 2x49 h ARG 535 Ca 0.37 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 2x49 h ARG 535 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2x49 h ARG 535 CO -0.12 0.57 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.25 2x49 h LEU 536 N 0.09 -0.07 -1.22 3.04 3.38 -0.86 -3.26 115.31 116.41 2x49 h LEU 536 Ca 0.00 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 2x49 h LEU 536 Cb 0.88 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2x49 h LEU 536 CO 0.07 0.38 -0.01 -0.07 0.09 0.00 0.00 178.44 178.89 2x49 h LEU 537 N -0.55 0.49 -0.90 1.67 3.38 -1.06 -1.37 115.31 116.97 2x49 h LEU 537 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2x49 h LEU 537 Cb 0.47 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2x49 h LEU 537 CO 0.01 0.57 0.00 0.77 0.09 0.00 0.00 178.44 179.88 2x49 h SER 538 N 0.50 0.00 -0.32 -0.43 4.64 -1.04 -0.36 113.55 116.54 2x49 h SER 538 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2x49 h SER 538 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2x49 h SER 538 CO 0.01 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.35 2x49 n GLU 539 N -2.47 3.16 -1.73 4.77 1.02 -0.58 -4.30 120.64 120.51 2x49 n GLU 539 Ca 0.02 -2.76 -0.09 0.00 -0.02 0.00 0.00 57.16 54.31 2x49 n GLU 539 Cb 0.25 -1.80 -0.02 0.00 -0.02 0.00 0.00 31.44 29.85 2x49 n GLU 539 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2x49 n ARG 540 N -0.16 -0.69 -3.45 3.49 1.74 -0.14 -4.98 116.66 112.46 2x49 n ARG 540 Ca 0.21 0.63 -0.38 0.00 -0.77 0.00 0.00 57.85 57.54 2x49 n ARG 540 Cb 0.85 -4.59 -0.08 0.00 -1.02 0.00 0.00 32.46 27.63 2x49 n ARG 540 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2x49 s VAL 541 N -2.40 5.23 0.48 1.55 1.01 -0.81 -4.95 120.40 120.51 2x49 s VAL 541 Ca 0.00 0.59 -0.22 0.00 0.00 0.00 0.00 61.98 62.35 2x49 s VAL 541 Cb 0.00 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 2x49 s VAL 541 CO 0.00 0.27 1.17 -0.55 0.00 0.00 0.00 175.10 175.99 2x49 s SER 542 N 1.05 6.04 -0.10 3.32 0.15 -1.26 -3.38 113.70 119.52 2x49 s SER 542 Ca 0.16 2.30 0.14 0.00 0.70 0.00 0.00 55.95 59.25 2x49 s SER 542 Cb -0.14 -2.60 0.43 0.00 -1.71 0.00 0.00 66.02 62.00 2x49 s SER 542 CO 0.07 -1.01 1.35 1.33 1.20 0.00 0.00 173.24 176.19 2x49 n VAL 543 N -0.67 1.69 -0.34 4.45 0.24 -0.34 -4.67 118.33 118.69 2x49 n VAL 543 Ca 0.08 -1.46 0.05 0.00 -2.04 0.00 0.00 64.34 60.98 2x49 n VAL 543 Cb 0.48 0.10 0.23 0.00 -1.47 0.00 0.00 33.84 33.19 2x49 n VAL 543 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2x49 h ARG 544 N 1.95 1.00 -3.50 7.34 2.43 -1.84 -3.26 114.38 118.51 2x49 h ARG 544 Ca 0.00 -0.06 -0.75 0.00 -0.81 0.00 0.00 59.98 58.36 2x49 h ARG 544 Cb 1.12 -0.23 -0.13 0.00 -0.42 0.00 0.00 29.97 30.32 2x49 h ARG 544 CO 0.12 0.66 2.30 -1.71 -1.51 0.00 0.00 179.97 179.83 2x49 n ASN 545 N -4.54 5.19 0.15 -3.80 2.85 -1.26 -4.72 115.26 109.12 2x49 n ASN 545 Ca 0.16 -3.05 0.03 0.00 -0.11 0.00 0.00 54.58 51.61 2x49 n ASN 545 Cb 0.27 -1.50 0.41 0.00 1.24 0.00 0.00 39.78 40.21 2x49 n ASN 545 CO 0.00 0.00 0.00 -0.03 -2.11 0.00 0.00 177.26 175.12 2x49 h MET 546 N 5.67 0.16 -0.37 1.20 1.85 -1.96 -2.48 114.93 119.00 2x49 h MET 546 Ca 0.46 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 59.46 2x49 h MET 546 Cb 0.60 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.59 2x49 h MET 546 CO 1.67 0.33 0.05 -0.22 -0.40 0.00 0.00 176.91 178.33 2x49 h LYS 547 N 0.16 0.63 -0.23 0.39 3.64 -1.92 0.10 116.57 119.33 2x49 h LYS 547 Ca 0.03 -0.18 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 2x49 h LYS 547 Cb 0.38 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2x49 h LYS 547 CO 0.02 0.70 -0.33 -0.07 -2.27 0.00 0.00 179.45 177.51 2x49 h LEU 548 N 0.46 0.50 -0.27 5.20 3.38 -1.87 -0.27 115.31 122.44 2x49 h LEU 548 Ca 0.11 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2x49 h LEU 548 Cb 0.39 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2x49 h LEU 548 CO 0.01 0.80 0.01 0.40 0.09 0.00 0.00 178.44 179.74 2x49 h ILE 549 N 0.42 1.25 -0.76 1.22 2.04 -1.01 -1.67 117.51 119.00 2x49 h ILE 549 Ca 0.05 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 64.96 2x49 h ILE 549 Cb 0.77 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 2x49 h ILE 549 CO 0.06 0.29 0.29 0.24 0.00 0.00 0.00 178.15 179.03 2x49 h MET 550 N 0.26 1.13 -0.72 2.37 2.86 -0.73 -0.71 114.93 119.39 2x49 h MET 550 Ca 0.08 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 2x49 h MET 550 Cb 0.41 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 2x49 h MET 550 CO 0.01 0.93 0.39 0.93 1.06 0.00 0.00 176.91 180.23 2x49 h GLU 551 N 1.10 1.01 -0.03 1.72 5.08 -0.83 -0.15 114.58 122.48 2x49 h GLU 551 Ca 0.25 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 2x49 h GLU 551 Cb 0.22 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2x49 h GLU 551 CO -0.02 0.75 -0.64 0.00 -1.00 0.00 0.00 179.01 178.10 2x49 h ALA 552 N 1.41 0.87 -0.26 3.43 0.00 -0.76 -2.51 119.26 121.45 2x49 h ALA 552 Ca 0.25 -0.57 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 2x49 h ALA 552 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2x49 h ALA 552 CO -0.04 0.77 -0.45 -0.07 0.00 0.00 0.00 179.25 179.47 2x49 h LEU 553 N 0.09 0.71 -1.51 0.00 3.38 -0.65 -0.99 115.31 116.33 2x49 h LEU 553 Ca -0.01 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 2x49 h LEU 553 Cb 1.14 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2x49 h LEU 553 CO 0.09 1.05 -0.25 0.00 0.09 0.00 0.00 178.44 179.43 2x49 h ALA 554 N 0.97 1.53 0.15 1.53 0.00 -0.73 0.21 119.26 122.93 2x49 h ALA 554 Ca 0.03 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.50 2x49 h ALA 554 Cb 0.99 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.76 2x49 h ALA 554 CO 0.09 0.31 -0.94 1.25 0.00 0.00 0.00 179.25 179.97 2x49 h LEU 555 N 0.00 0.56 0.00 0.00 5.85 -1.13 -3.42 115.31 117.17 2x49 h LEU 555 Ca -0.00 -0.93 -0.37 0.00 0.84 0.00 0.00 57.88 57.42 2x49 h LEU 555 Cb 0.46 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 2x49 h LEU 555 CO 0.03 1.45 -2.39 0.79 -0.34 0.00 0.00 178.44 177.98 2x49 n TRP 556 N -4.05 0.00 0.01 1.25 7.02 -0.40 -4.45 117.44 116.82 2x49 n TRP 556 Ca -0.14 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.37 2x49 n TRP 556 Cb 0.87 -0.98 0.41 0.00 -2.42 0.00 0.00 31.31 29.19 2x49 n TRP 556 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2x49 h ALA 557 N 0.63 1.65 -0.42 6.99 0.00 -0.78 -0.87 119.26 126.45 2x49 h ALA 557 Ca -0.55 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.33 2x49 h ALA 557 Cb 2.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 2x49 h ALA 557 CO -0.01 0.30 0.28 -1.35 0.00 0.00 0.00 179.25 178.47 2x49 h PRO 558 N 0.52 0.45 0.00 0.00 0.11 -1.78 -3.26 132.00 128.04 2x49 h PRO 558 Ca 0.14 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.13 2x49 h PRO 558 Cb 0.02 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.01 2x49 h PRO 558 CO -0.02 0.30 -2.06 0.54 -0.21 0.00 0.00 178.00 176.55 2x49 n ARG 559 N -4.48 0.68 -4.02 1.05 1.74 -0.71 -4.91 116.66 106.00 2x49 n ARG 559 Ca 0.04 -0.15 -0.31 0.00 -0.77 0.00 0.00 57.85 56.66 2x49 n ARG 559 Cb 0.14 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 29.92 2x49 n ARG 559 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2x49 s GLU 560 N -3.23 2.13 0.00 5.56 2.56 -0.41 -4.97 118.70 120.33 2x49 s GLU 560 Ca -0.08 -0.98 0.18 0.00 0.00 0.00 0.00 54.97 54.09 2x49 s GLU 560 Cb 0.12 -2.57 -0.12 0.00 2.00 0.00 0.00 34.13 33.56 2x49 s GLU 560 CO 0.86 -0.46 0.82 1.63 -0.56 0.00 0.00 175.26 177.55 2x49 n LYS 561 N 4.61 1.31 -3.19 4.30 4.76 -1.26 -4.60 118.16 124.10 2x49 n LYS 561 Ca -0.15 -0.33 -0.40 0.00 -2.87 0.00 0.00 58.31 54.57 2x49 n LYS 561 Cb 0.45 -1.34 -0.07 0.00 -1.84 0.00 0.00 35.03 32.24 2x49 n LYS 561 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2x49 s ASP 562 N -2.46 6.58 0.32 4.39 2.15 -1.26 -4.97 116.67 121.42 2x49 s ASP 562 Ca 0.10 0.71 0.04 0.00 0.43 0.00 0.00 52.55 53.83 2x49 s ASP 562 Cb 0.14 -2.31 0.56 0.00 -0.30 0.00 0.00 42.92 41.00 2x49 s ASP 562 CO 0.63 -0.25 1.83 1.62 -0.17 0.00 0.00 175.17 178.83 2x49 h VAL 563 N 5.21 1.22 -0.03 1.11 3.04 -1.99 -0.59 116.25 124.23 2x49 h VAL 563 Ca -0.31 -0.95 -0.01 0.00 -1.01 0.00 0.00 66.70 64.42 2x49 h VAL 563 Cb 1.14 1.11 -0.00 0.00 -2.01 0.00 0.00 31.29 31.54 2x49 h VAL 563 CO 0.75 0.31 -0.01 0.40 -1.01 0.00 0.00 177.57 178.01 2x49 h ILE 564 N 0.44 1.31 -0.37 3.17 1.08 -1.99 -1.29 117.51 119.87 2x49 h ILE 564 Ca 0.09 -0.94 0.02 0.00 -0.39 0.00 0.00 64.86 63.63 2x49 h ILE 564 Cb 0.45 1.90 -0.03 0.00 -3.07 0.00 0.00 36.82 36.07 2x49 h ILE 564 CO 0.02 0.25 0.20 0.78 -0.69 0.00 0.00 178.15 178.71 2x49 h ASN 565 N -0.33 0.31 -0.49 1.72 2.35 -1.94 -2.36 115.58 114.85 2x49 h ASN 565 Ca 0.01 0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.82 2x49 h ASN 565 Cb 0.41 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.68 2x49 h ASN 565 CO 0.00 0.22 0.22 0.25 -1.65 0.00 0.00 177.43 176.48 2x49 h LEU 566 N 0.41 0.30 -1.04 1.61 5.85 -0.93 -2.09 115.31 119.42 2x49 h LEU 566 Ca 0.15 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.99 2x49 h LEU 566 Cb 0.03 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 2x49 h LEU 566 CO -0.09 0.21 0.63 0.58 -0.34 0.00 0.00 178.44 179.44 2x49 h VAL 567 N 0.44 1.02 -0.84 1.05 2.07 -0.84 -1.23 116.25 117.92 2x49 h VAL 567 Ca 0.22 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 2x49 h VAL 567 Cb 0.16 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.74 2x49 h VAL 567 CO -0.18 0.20 0.41 -0.08 0.02 0.00 0.00 177.57 177.93 2x49 h GLU 568 N 1.08 1.21 -0.57 1.57 4.57 -0.87 0.44 114.58 122.02 2x49 h GLU 568 Ca 0.45 -0.18 -0.10 0.00 -1.18 0.00 0.00 59.36 58.35 2x49 h GLU 568 Cb 0.30 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2x49 h GLU 568 CO -0.20 0.93 -0.04 0.45 -1.18 0.00 0.00 179.01 178.97 2x49 h HIS 569 N 1.20 1.12 -0.51 0.92 3.86 -1.10 -1.86 115.15 118.79 2x49 h HIS 569 Ca 0.29 -0.20 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 2x49 h HIS 569 Cb 0.12 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 2x49 h HIS 569 CO 0.01 1.00 0.18 0.82 0.86 0.00 0.00 177.93 180.81 2x49 h ILE 570 N 0.92 1.22 -0.66 2.45 1.08 -0.56 -1.47 117.51 120.50 2x49 h ILE 570 Ca 0.16 -0.72 0.05 0.00 -0.39 0.00 0.00 64.86 63.96 2x49 h ILE 570 Cb 0.59 0.74 -0.05 0.00 -3.07 0.00 0.00 36.82 35.03 2x49 h ILE 570 CO 0.04 0.27 0.37 0.03 -0.69 0.00 0.00 178.15 178.16 2x49 h ARG 571 N 0.68 0.67 -0.83 2.37 3.08 -0.84 -0.88 114.38 118.64 2x49 h ARG 571 Ca 0.17 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.19 2x49 h ARG 571 Cb 0.24 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 2x49 h ARG 571 CO -0.01 0.45 0.55 0.78 -1.07 0.00 0.00 179.97 180.66 2x49 h GLY 572 N 0.69 1.19 1.89 0.04 0.00 -0.82 -1.83 103.07 104.23 2x49 h GLY 572 Ca 0.29 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 2x49 h GLY 572 CO -0.17 0.39 -0.18 0.00 0.00 0.00 0.00 176.54 176.59 2x49 h ALA 573 N 1.32 1.55 -0.57 3.60 0.00 -0.20 -2.66 119.26 122.31 2x49 h ALA 573 Ca 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2x49 h ALA 573 Cb -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2x49 h ALA 573 CO -0.09 0.33 0.00 -1.33 0.00 0.00 0.00 179.25 178.16 2x49 n MET 574 N -4.27 2.51 -0.26 0.00 2.00 -0.45 -4.66 117.12 111.99 2x49 n MET 574 Ca -0.01 -2.12 0.06 0.00 0.00 0.00 0.00 57.70 55.63 2x49 n MET 574 Cb 0.28 -1.51 0.17 0.00 0.00 0.00 0.00 33.22 32.16 2x49 n MET 574 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2x49 h ALA 575 N 4.01 0.85 -0.99 3.04 0.00 -1.02 0.92 119.26 126.07 2x49 h ALA 575 Ca 0.00 0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.20 2x49 h ALA 575 Cb 0.86 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 2x49 h ALA 575 CO 0.04 -0.42 0.64 -0.09 0.00 0.00 0.00 179.25 179.42 2x49 h ARG 576 N 0.13 1.14 0.02 0.00 2.43 -1.83 -0.37 114.38 115.91 2x49 h ARG 576 Ca 0.43 -0.07 -0.21 0.00 -0.81 0.00 0.00 59.98 59.32 2x49 h ARG 576 Cb 0.76 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2x49 h ARG 576 CO -0.65 0.76 -0.94 1.88 -1.51 0.00 0.00 179.97 179.51 2x49 h TYR 577 N 1.18 0.28 -0.09 2.20 0.05 -1.22 -1.88 116.97 117.48 2x49 h TYR 577 Ca 0.42 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 59.02 2x49 h TYR 577 Cb 0.14 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.85 2x49 h TYR 577 CO -0.00 1.01 -0.01 0.82 -1.05 0.00 0.00 178.16 178.93 2x49 h ILE 578 N 0.09 1.27 -0.17 -2.88 2.04 -0.79 -2.53 117.51 114.54 2x49 h ILE 578 Ca -0.05 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 2x49 h ILE 578 Cb 1.59 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 39.34 2x49 h ILE 578 CO 0.14 0.25 0.09 0.00 0.00 0.00 0.00 178.15 178.63 2x49 h HIS 580 N 0.17 0.14 -0.05 0.00 3.86 -1.34 -1.48 115.15 116.45 2x49 h HIS 580 Ca 0.06 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 2x49 h HIS 580 Cb 0.07 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.49 2x49 h HIS 580 CO -0.04 0.21 -0.10 -0.22 0.86 0.00 0.00 177.93 178.64 2x49 h LYS 581 N 0.14 0.16 0.00 2.45 3.64 -1.11 -2.90 116.57 118.94 2x49 h LYS 581 Ca 0.03 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 2x49 h LYS 581 Cb 0.21 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2x49 h LYS 581 CO 0.01 0.69 -0.46 0.74 -2.27 0.00 0.00 179.45 178.16 2x49 h PHE 582 N -0.34 0.00 0.00 1.91 0.04 -0.97 -2.96 116.94 114.62 2x49 h PHE 582 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2x49 h PHE 582 Cb 0.68 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.83 2x49 h PHE 582 CO 0.12 0.46 -0.52 0.00 -0.60 0.00 0.00 178.31 177.76 2x49 n ALA 583 N -2.40 3.52 -0.65 2.45 0.00 -0.60 -4.93 120.51 117.91 2x49 n ALA 583 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2x49 n ALA 583 Cb 0.51 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2x49 n ALA 583 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2x49 n ASN 584 N -1.54 0.00 -0.20 0.00 4.13 -1.10 -0.45 115.26 116.09 2x49 n ASN 584 Ca 0.05 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.33 2x49 n ASN 584 Cb 0.34 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.63 2x49 n ASN 584 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2x49 n GLY 585 N 0.00 2.59 0.00 7.41 0.00 -1.26 -4.74 105.19 109.19 2x49 n GLY 585 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2x49 n GLY 585 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x49 n GLY 586 N -0.14 4.52 3.79 -0.02 0.00 0.40 -5.12 105.19 108.62 2x49 n GLY 586 Ca 0.04 -2.15 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 2x49 n GLY 586 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2x49 s GLU 587 N -0.99 4.14 -0.21 1.61 -1.05 -1.26 -4.81 118.70 116.13 2x49 s GLU 587 Ca 0.00 1.40 -0.26 0.00 -0.15 0.00 0.00 54.97 55.96 2x49 s GLU 587 Cb 0.00 -2.42 -0.00 0.00 -0.44 0.00 0.00 34.13 31.26 2x49 s GLU 587 CO 0.00 -0.14 0.89 -1.17 0.95 0.00 0.00 175.26 175.78 2x49 s LEU 588 N -2.84 4.12 -0.22 1.83 2.96 -0.28 -4.87 118.68 119.38 2x49 s LEU 588 Ca 0.60 1.18 -0.13 0.00 -0.22 0.00 0.00 54.13 55.56 2x49 s LEU 588 Cb -0.19 -3.30 -0.05 0.00 0.50 0.00 0.00 46.19 43.16 2x49 s LEU 588 CO 0.23 -0.52 0.26 -0.13 -1.32 0.00 0.00 176.35 174.87 2x49 s ARG 589 N 2.69 4.12 0.03 1.98 0.52 -1.26 -0.42 118.95 126.61 2x49 s ARG 589 Ca 0.39 -0.07 0.01 0.00 -0.52 0.00 0.00 55.73 55.53 2x49 s ARG 589 Cb -0.16 -3.53 -0.02 0.00 0.52 0.00 0.00 34.95 31.76 2x49 s ARG 589 CO 0.09 0.03 -0.05 0.00 0.02 0.00 0.00 175.30 175.39 2x49 s ALA 590 N 1.12 0.36 -0.12 2.13 0.00 -0.36 -1.79 121.76 123.11 2x49 s ALA 590 Ca 0.12 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 2x49 s ALA 590 Cb -0.14 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 2x49 s ALA 590 CO 0.06 -0.12 -0.11 0.08 0.00 0.00 0.00 175.76 175.67 2x49 s VAL 591 N -1.71 3.31 -0.09 0.00 1.01 -0.27 -0.34 120.40 122.31 2x49 s VAL 591 Ca -0.11 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 2x49 s VAL 591 Cb -0.08 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 2x49 s VAL 591 CO -0.01 0.54 0.20 -0.32 0.00 0.00 0.00 175.10 175.51 2x49 s MET 592 N 0.07 3.55 -0.01 2.72 1.75 0.30 -1.06 119.30 126.62 2x49 s MET 592 Ca -0.04 -0.00 -0.26 0.00 -1.25 0.00 0.00 55.69 54.13 2x49 s MET 592 Cb -0.14 -3.19 -0.04 0.00 2.84 0.00 0.00 34.83 34.29 2x49 s MET 592 CO 0.04 0.76 0.83 0.08 -0.65 0.00 0.00 175.02 176.07 2x49 s VAL 593 N -1.05 4.88 0.63 10.11 1.01 -0.86 0.09 120.40 135.22 2x49 s VAL 593 Ca 0.17 1.74 -0.16 0.00 0.00 0.00 0.00 61.98 63.73 2x49 s VAL 593 Cb -0.13 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 2x49 s VAL 593 CO 0.06 0.25 1.11 -0.94 0.00 0.00 0.00 175.10 175.59 2x49 s SER 594 N 0.63 5.26 0.57 3.32 1.04 -0.42 -4.86 113.70 119.25 2x49 s SER 594 Ca 0.43 2.03 0.29 0.00 0.48 0.00 0.00 55.95 59.19 2x49 s SER 594 Cb -0.20 -2.56 1.71 0.00 0.10 0.00 0.00 66.02 65.08 2x49 s SER 594 CO 0.23 -1.53 2.19 0.00 0.98 0.00 0.00 173.24 175.12 2x49 h ALA 595 N 0.30 1.42 0.02 5.32 0.00 -1.97 -1.50 119.26 122.85 2x49 h ALA 595 Ca -0.47 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2x49 h ALA 595 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2x49 h ALA 595 CO 0.55 0.05 -0.01 0.93 0.00 0.00 0.00 179.25 180.77 2x49 h GLU 596 N 0.00 -0.03 -0.34 0.00 3.07 -1.90 -2.37 114.58 113.02 2x49 h GLU 596 Ca -0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 2x49 h GLU 596 Cb 0.12 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 2x49 h GLU 596 CO 0.01 0.36 -0.36 0.28 -1.40 0.00 0.00 179.01 177.90 2x49 h VAL 597 N -0.42 1.28 -0.67 3.13 2.07 -1.71 -2.38 116.25 117.55 2x49 h VAL 597 Ca -0.00 -1.52 0.04 0.00 0.82 0.00 0.00 66.70 66.03 2x49 h VAL 597 Cb 0.40 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2x49 h VAL 597 CO 0.01 0.50 0.45 -0.33 0.02 0.00 0.00 177.57 178.21 2x49 h GLU 598 N 0.64 0.77 -0.03 1.57 5.08 -1.22 -1.84 114.58 119.55 2x49 h GLU 598 Ca 0.06 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 2x49 h GLU 598 Cb 0.90 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2x49 h GLU 598 CO 0.08 0.51 -0.63 -0.44 -1.00 0.00 0.00 179.01 177.53 2x49 h ASP 599 N 0.79 0.13 -0.73 1.42 3.45 -0.90 -0.32 116.42 120.26 2x49 h ASP 599 Ca 0.27 -0.08 -0.05 0.00 0.43 0.00 0.00 57.03 57.60 2x49 h ASP 599 Cb 0.10 -0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 38.79 2x49 h ASP 599 CO -0.08 0.73 0.27 0.58 -1.57 0.00 0.00 179.24 179.17 2x49 h VAL 600 N 0.08 1.25 -0.17 -1.35 2.07 -1.12 -1.43 116.25 115.58 2x49 h VAL 600 Ca -0.01 -0.84 -0.17 0.00 0.82 0.00 0.00 66.70 66.50 2x49 h VAL 600 Cb 1.13 0.39 0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2x49 h VAL 600 CO 0.09 0.34 -0.57 0.40 0.02 0.00 0.00 177.57 177.85 2x49 h ILE 601 N 1.09 1.32 -0.80 4.57 1.08 -1.20 -3.10 117.51 120.47 2x49 h ILE 601 Ca 0.25 -1.81 -0.03 0.00 -0.39 0.00 0.00 64.86 62.88 2x49 h ILE 601 Cb 0.24 1.97 -0.04 0.00 -3.07 0.00 0.00 36.82 35.92 2x49 h ILE 601 CO -0.02 0.56 0.36 -0.09 -0.69 0.00 0.00 178.15 178.28 2x49 h ARG 602 N 0.37 1.15 0.00 2.37 2.43 -0.68 -1.37 114.38 118.66 2x49 h ARG 602 Ca -0.02 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 58.94 2x49 h ARG 602 Cb 1.19 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.53 2x49 h ARG 602 CO 0.12 0.90 -0.14 -0.22 -1.51 0.00 0.00 179.97 179.12 2x49 h LYS 603 N 1.14 0.00 -0.00 0.20 3.11 -1.20 -2.42 116.57 117.40 2x49 h LYS 603 Ca 0.27 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.11 2x49 h LYS 603 Cb 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.37 2x49 h LYS 603 CO -0.03 0.14 -0.26 0.41 -2.81 0.00 0.00 179.45 176.90 2x49 n GLY 604 N -0.23 -1.17 3.68 5.01 0.00 -0.53 -4.86 105.19 107.09 2x49 n GLY 604 Ca -0.01 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 2x49 n GLY 604 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x49 s ILE 605 N -2.83 4.83 -0.18 -0.61 1.01 -0.91 0.22 121.20 122.73 2x49 s ILE 605 Ca 0.17 1.87 -0.02 0.00 0.00 0.00 0.00 60.65 62.67 2x49 s ILE 605 Cb 0.19 -4.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 2x49 s ILE 605 CO 0.59 0.02 -0.07 -0.13 0.00 0.00 0.00 174.94 175.34 2x49 s ARG 606 N 2.01 3.42 -0.10 2.79 0.52 0.35 -4.97 118.95 122.98 2x49 s ARG 606 Ca 0.44 -0.63 -0.12 0.00 -0.52 0.00 0.00 55.73 54.90 2x49 s ARG 606 Cb -0.18 -2.86 -0.05 0.00 0.52 0.00 0.00 34.95 32.39 2x49 s ARG 606 CO 0.16 0.02 0.29 -0.65 0.02 0.00 0.00 175.30 175.13 2x49 s GLN 607 N 0.90 3.92 0.01 3.54 -0.21 -1.26 -1.69 119.66 124.87 2x49 s GLN 607 Ca -0.02 0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.50 2x49 s GLN 607 Cb -0.15 -3.29 -0.00 0.00 1.00 0.00 0.00 33.01 30.57 2x49 s GLN 607 CO 0.01 0.54 0.00 0.25 -2.12 0.00 0.00 175.29 173.97 2x49 n THR 608 N 2.54 0.00 1.03 -0.19 -2.24 -1.09 -5.01 114.28 109.32 2x49 n THR 608 Ca -0.15 -0.04 0.13 0.00 -2.27 0.00 0.00 64.05 61.72 2x49 n THR 608 Cb 0.53 0.01 0.44 0.00 -2.10 0.00 0.00 70.33 69.21 2x49 n THR 608 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2x49 n SER 609 N -1.09 0.28 0.00 3.42 3.41 -1.26 -4.65 113.62 113.74 2x49 n SER 609 Ca -0.00 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2x49 n SER 609 Cb 0.01 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2x49 n SER 609 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x49 n GLY 610 N 1.48 0.95 3.90 5.00 0.00 -1.26 -5.12 105.19 110.14 2x49 n GLY 610 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 2x49 n GLY 610 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x49 s SER 611 N 0.48 6.33 -0.19 1.61 0.01 -1.26 -4.94 113.70 115.73 2x49 s SER 611 Ca 0.00 0.99 -0.09 0.00 1.31 0.00 0.00 55.95 58.16 2x49 s SER 611 Cb 0.00 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.91 2x49 s SER 611 CO 0.00 -0.54 0.12 -0.89 0.41 0.00 0.00 173.24 172.34 2x49 s THR 612 N -2.65 5.28 0.07 1.44 2.01 -1.26 -2.69 115.64 117.84 2x49 s THR 612 Ca 0.48 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.63 2x49 s THR 612 Cb -0.10 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 2x49 s THR 612 CO 0.42 0.45 -0.05 0.72 -0.69 0.00 0.00 174.62 175.46 2x49 s PHE 613 N 0.32 0.72 -0.21 4.92 -0.12 -0.68 -5.01 117.98 117.92 2x49 s PHE 613 Ca 0.07 -0.94 -0.16 0.00 -0.05 0.00 0.00 56.93 55.84 2x49 s PHE 613 Cb -0.11 -0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 41.79 2x49 s PHE 613 CO -0.01 -0.24 0.43 -1.17 -0.05 0.00 0.00 175.22 174.18 2x49 s LEU 614 N -2.88 4.14 -0.40 -1.99 2.96 -1.26 -0.50 118.68 118.76 2x49 s LEU 614 Ca 0.08 0.54 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 2x49 s LEU 614 Cb 0.05 -2.56 0.12 0.00 0.50 0.00 0.00 46.19 44.30 2x49 s LEU 614 CO -0.06 -0.11 0.17 -0.55 -1.32 0.00 0.00 176.35 174.48 2x49 s SER 615 N 1.12 4.01 -0.02 3.68 0.15 0.13 -4.98 113.70 117.79 2x49 s SER 615 Ca 0.20 -2.34 0.07 0.00 0.70 0.00 0.00 55.95 54.58 2x49 s SER 615 Cb -0.15 -1.16 -0.02 0.00 -1.71 0.00 0.00 66.02 62.98 2x49 s SER 615 CO 0.08 -0.32 -0.23 -0.76 1.20 0.00 0.00 173.24 173.21 2x49 s LEU 616 N 0.69 2.23 0.32 3.45 1.43 -1.26 -4.70 118.68 120.84 2x49 s LEU 616 Ca 0.14 -0.42 -0.28 0.00 -1.03 0.00 0.00 54.13 52.55 2x49 s LEU 616 Cb -0.22 -1.39 -0.13 0.00 0.03 0.00 0.00 46.19 44.48 2x49 s LEU 616 CO -0.08 0.32 1.22 -0.67 0.23 0.00 0.00 176.35 177.37 2x49 n ASP 617 N 2.32 2.37 -0.24 2.29 2.03 -1.26 -4.72 116.55 119.34 2x49 n ASP 617 Ca -0.16 1.20 0.11 0.00 0.52 0.00 0.00 54.79 56.46 2x49 n ASP 617 Cb 0.51 -1.43 0.39 0.00 -0.72 0.00 0.00 41.12 39.88 2x49 n ASP 617 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2x49 h PRO 618 N 2.51 0.65 -0.32 -0.67 0.11 -1.99 0.54 132.00 132.83 2x49 h PRO 618 Ca -0.44 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 2x49 h PRO 618 Cb 1.30 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2x49 h PRO 618 CO 0.63 0.43 -0.26 1.49 -0.21 0.00 0.00 178.00 180.08 2x49 h GLU 619 N 0.67 0.63 -0.35 1.05 4.81 -1.99 -1.51 114.58 117.89 2x49 h GLU 619 Ca 0.42 -0.26 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 2x49 h GLU 619 Cb 0.66 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2x49 h GLU 619 CO -0.18 0.83 -0.17 0.00 -0.73 0.00 0.00 179.01 178.76 2x49 h ALA 620 N 1.16 0.49 -0.52 2.92 0.00 -1.54 -0.88 119.26 120.89 2x49 h ALA 620 Ca 0.07 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 2x49 h ALA 620 Cb 0.74 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2x49 h ALA 620 CO 0.06 0.42 -0.10 0.66 0.00 0.00 0.00 179.25 180.29 2x49 h SER 621 N 0.52 0.96 -0.50 0.00 4.64 -0.84 -1.04 113.55 117.29 2x49 h SER 621 Ca 0.08 -0.31 -0.07 0.00 -0.47 0.00 0.00 61.79 61.02 2x49 h SER 621 Cb 0.72 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 2x49 h SER 621 CO 0.05 1.07 0.08 0.00 -0.87 0.00 0.00 176.83 177.16 2x49 h ALA 622 N 1.01 1.10 -0.18 5.18 0.00 -1.00 -1.10 119.26 124.26 2x49 h ALA 622 Ca 0.14 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 2x49 h ALA 622 Cb 0.64 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2x49 h ALA 622 CO 0.04 0.59 -0.63 -0.91 0.00 0.00 0.00 179.25 178.34 2x49 h ASN 623 N 0.84 0.75 -0.54 0.00 2.35 -0.91 -0.82 115.58 117.25 2x49 h ASN 623 Ca 0.17 -0.44 -0.12 0.00 -0.55 0.00 0.00 56.30 55.37 2x49 h ASN 623 Cb 0.39 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 2x49 h ASN 623 CO 0.01 1.20 -0.12 0.25 -1.65 0.00 0.00 177.43 177.12 2x49 h LEU 624 N 0.48 1.04 -1.01 1.61 5.85 -0.97 -1.96 115.31 120.36 2x49 h LEU 624 Ca -0.01 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.31 2x49 h LEU 624 Cb 1.22 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 2x49 h LEU 624 CO 0.12 1.16 0.15 0.24 -0.34 0.00 0.00 178.44 179.77 2x49 h MET 625 N 0.92 0.87 -0.54 1.25 2.86 -0.96 -1.44 114.93 117.88 2x49 h MET 625 Ca 0.14 -0.17 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 2x49 h MET 625 Cb 0.69 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 2x49 h MET 625 CO 0.05 0.77 0.09 -0.44 1.06 0.00 0.00 176.91 178.44 2x49 h ASP 626 N 0.84 0.81 -0.33 1.22 3.32 -0.83 0.13 116.42 121.58 2x49 h ASP 626 Ca 0.19 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 2x49 h ASP 626 Cb 0.28 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2x49 h ASP 626 CO -0.00 0.82 -0.14 0.25 -1.72 0.00 0.00 179.24 178.45 2x49 h LEU 627 N 0.82 0.69 -0.50 1.55 5.85 -0.94 -1.15 115.31 121.62 2x49 h LEU 627 Ca 0.17 -0.40 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 2x49 h LEU 627 Cb 0.36 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2x49 h LEU 627 CO 0.01 0.94 0.13 0.40 -0.34 0.00 0.00 178.44 179.57 2x49 h ILE 628 N 0.44 1.24 -0.51 4.05 2.04 -1.02 -2.20 117.51 121.55 2x49 h ILE 628 Ca 0.07 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 65.12 2x49 h ILE 628 Cb 0.67 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 2x49 h ILE 628 CO 0.04 0.31 0.30 0.74 0.00 0.00 0.00 178.15 179.54 2x49 h THR 629 N 0.70 1.04 -0.80 -0.27 2.02 -0.86 -1.52 112.91 113.21 2x49 h THR 629 Ca 0.16 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2x49 h THR 629 Cb 0.33 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 2x49 h THR 629 CO 0.00 0.11 0.44 0.25 0.37 0.00 0.00 175.52 176.69 2x49 h LEU 630 N 0.59 1.00 -0.56 2.58 5.85 -0.89 -1.59 115.31 122.29 2x49 h LEU 630 Ca 0.21 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 2x49 h LEU 630 Cb 0.04 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2x49 h LEU 630 CO -0.10 0.80 -0.48 0.11 -0.34 0.00 0.00 178.44 178.43 2x49 h LYS 631 N 1.12 0.00 0.00 1.25 1.79 -0.87 -2.94 116.57 116.92 2x49 h LYS 631 Ca 0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 2x49 h LYS 631 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 2x49 h LYS 631 CO -0.05 0.48 -0.59 -0.07 -1.08 0.00 0.00 179.45 178.15 2x49 h LEU 632 N 0.00 0.00 -1.84 2.94 3.38 -0.84 -3.41 115.31 115.55 2x49 h LEU 632 Ca -0.00 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2x49 h LEU 632 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2x49 h LEU 632 CO 0.06 0.03 0.14 -0.78 0.09 0.00 0.00 178.44 177.99 2x49 h ASP 633 N 0.00 0.19 -0.51 -0.43 3.58 -1.11 -2.67 116.42 115.47 2x49 h ASP 633 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2x49 h ASP 633 Cb 0.89 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.90 2x49 h ASP 633 CO 0.00 0.13 0.00 -0.90 -2.88 0.00 0.00 179.24 175.59 2x49 n ASP 634 N -4.50 3.60 -4.77 2.28 5.68 -1.26 -4.97 116.55 112.61 2x49 n ASP 634 Ca 0.01 -2.15 -0.40 0.00 -0.50 0.00 0.00 54.79 51.74 2x49 n ASP 634 Cb 0.12 -0.39 -0.02 0.00 -1.14 0.00 0.00 41.12 39.69 2x49 n ASP 634 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2x49 s LEU 635 N -1.28 4.39 0.00 -2.12 1.43 -1.01 -4.96 118.68 115.14 2x49 s LEU 635 Ca 0.37 2.50 0.12 0.00 -1.03 0.00 0.00 54.13 56.09 2x49 s LEU 635 Cb 0.21 -3.75 0.06 0.00 0.03 0.00 0.00 46.19 42.74 2x49 s LEU 635 CO 0.22 -0.49 0.81 0.18 0.23 0.00 0.00 176.35 177.30 2x49 n LEU 636 N 0.68 1.74 -4.60 1.79 4.77 -1.26 -4.65 117.00 115.48 2x49 n LEU 636 Ca 0.01 -0.91 -0.36 0.00 -0.03 0.00 0.00 56.01 54.72 2x49 n LEU 636 Cb 0.44 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 2x49 n LEU 636 CO 0.56 0.33 -0.24 -0.63 -1.33 0.00 0.00 177.39 176.08 2x49 s ILE 637 N -1.18 4.84 0.58 -0.08 1.01 -1.26 -4.50 121.20 120.60 2x49 s ILE 637 Ca 0.12 -0.01 -0.20 0.00 0.00 0.00 0.00 60.65 60.56 2x49 s ILE 637 Cb 0.10 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 2x49 s ILE 637 CO 0.20 0.40 1.23 0.00 0.00 0.00 0.00 174.94 176.77 2x49 n ALA 638 N 4.08 1.07 -0.04 9.38 0.00 -1.24 -4.79 120.51 128.96 2x49 n ALA 638 Ca -0.16 0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.39 2x49 n ALA 638 Cb 0.52 -2.28 0.40 0.00 0.00 0.00 0.00 19.45 18.09 2x49 n ALA 638 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2x49 h HIS 639 N 0.99 0.59 0.00 0.00 -0.00 -1.90 -1.37 115.15 113.46 2x49 h HIS 639 Ca -0.50 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.88 2x49 h HIS 639 Cb 1.33 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 28.54 2x49 h HIS 639 CO 0.42 0.37 0.00 1.57 -0.00 0.00 0.00 177.93 180.29 2x49 h LYS 640 N 0.63 0.00 -0.30 2.45 2.10 -1.91 -2.23 116.57 117.31 2x49 h LYS 640 Ca 0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 2x49 h LYS 640 Cb -0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 2x49 h LYS 640 CO -0.04 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.16 2x49 n ASP 641 N -2.34 3.13 -4.63 7.07 8.00 -0.52 -4.95 116.55 122.31 2x49 n ASP 641 Ca 0.01 -1.91 -0.24 0.00 0.71 0.00 0.00 54.79 53.35 2x49 n ASP 641 Cb 0.16 -0.19 -0.08 0.00 -0.02 0.00 0.00 41.12 40.98 2x49 n ASP 641 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2x49 s LEU 642 N -1.36 2.99 0.08 0.64 1.43 -0.84 -4.57 118.68 117.05 2x49 s LEU 642 Ca 0.32 -0.96 0.04 0.00 -1.03 0.00 0.00 54.13 52.50 2x49 s LEU 642 Cb 0.19 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 2x49 s LEU 642 CO 0.27 -0.21 -0.12 0.68 0.23 0.00 0.00 176.35 177.19 2x49 s VAL 643 N -2.50 1.00 -0.12 -1.59 -7.23 -0.74 -4.38 120.40 104.85 2x49 s VAL 643 Ca 0.34 -1.40 -0.14 0.00 -1.81 0.00 0.00 61.98 58.97 2x49 s VAL 643 Cb -0.01 -1.12 -0.05 0.00 0.56 0.00 0.00 36.38 35.77 2x49 s VAL 643 CO 0.19 -0.35 0.34 -0.22 -0.31 0.00 0.00 175.10 174.75 2x49 s LEU 644 N -1.96 4.30 -0.16 1.32 2.96 0.42 -1.11 118.68 124.45 2x49 s LEU 644 Ca -0.00 0.65 -0.04 0.00 -0.22 0.00 0.00 54.13 54.52 2x49 s LEU 644 Cb -0.08 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.13 2x49 s LEU 644 CO 0.01 0.14 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.41 2x49 s LEU 645 N 0.10 3.35 0.30 -0.68 1.43 -0.22 -0.75 118.68 122.20 2x49 s LEU 645 Ca 0.20 -0.09 -0.07 0.00 -1.03 0.00 0.00 54.13 53.14 2x49 s LEU 645 Cb -0.14 -1.81 -0.00 0.00 0.03 0.00 0.00 46.19 44.27 2x49 s LEU 645 CO 0.07 0.18 0.46 0.28 0.23 0.00 0.00 176.35 177.57 2x49 s THR 646 N 0.31 0.00 0.58 5.49 -1.32 -0.47 -2.03 115.64 118.20 2x49 s THR 646 Ca -0.02 -1.53 -0.19 0.00 -1.21 0.00 0.00 61.69 58.74 2x49 s THR 646 Cb -0.14 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.33 2x49 s THR 646 CO 0.02 0.00 1.18 -0.44 -2.21 0.00 0.00 174.62 173.18 2x49 s SER 647 N -3.14 5.37 0.41 8.08 0.01 -1.26 -1.34 113.70 121.83 2x49 s SER 647 Ca 0.27 2.32 0.08 0.00 1.31 0.00 0.00 55.95 59.93 2x49 s SER 647 Cb -0.00 -2.59 0.87 0.00 0.21 0.00 0.00 66.02 64.50 2x49 s SER 647 CO 0.15 -1.47 2.03 1.62 0.41 0.00 0.00 173.24 175.98 2x49 h VAL 648 N 1.00 1.11 0.00 3.43 3.04 -1.94 -2.22 116.25 120.67 2x49 h VAL 648 Ca -0.50 -0.31 -0.01 0.00 -1.01 0.00 0.00 66.70 64.87 2x49 h VAL 648 Cb 1.29 0.69 -0.00 0.00 -2.01 0.00 0.00 31.29 31.26 2x49 h VAL 648 CO 0.56 0.13 -0.06 -2.24 -1.01 0.00 0.00 177.57 174.95 2x49 h ASP 649 N 0.45 0.00 0.00 3.17 2.03 -2.03 -3.20 116.42 116.84 2x49 h ASP 649 Ca 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 2x49 h ASP 649 Cb 0.04 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.54 2x49 h ASP 649 CO -0.02 0.06 -0.40 1.33 -1.03 0.00 0.00 179.24 179.17 2x49 n VAL 650 N -3.33 0.00 -0.16 4.15 0.24 -0.99 -4.82 118.33 113.42 2x49 n VAL 650 Ca -0.01 -0.34 -0.08 0.00 -2.04 0.00 0.00 64.34 61.87 2x49 n VAL 650 Cb 0.22 0.88 -0.02 0.00 -1.47 0.00 0.00 33.84 33.45 2x49 n VAL 650 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2x49 h ARG 651 N 0.00 -0.24 0.00 7.34 2.43 -1.40 -0.74 114.38 121.77 2x49 h ARG 651 Ca 0.00 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 2x49 h ARG 651 Cb 0.13 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2x49 h ARG 651 CO 0.00 -0.16 -0.37 0.07 -1.51 0.00 0.00 179.97 178.00 2x49 h ARG 652 N -0.25 0.00 -0.02 0.20 0.11 -1.88 -1.66 114.38 110.89 2x49 h ARG 652 Ca 0.18 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 60.00 2x49 h ARG 652 Cb 0.56 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.66 2x49 h ARG 652 CO -0.62 0.37 -1.02 0.74 0.10 0.00 0.00 179.97 179.55 2x49 h PHE 653 N 0.00 1.05 -0.54 4.08 0.04 -1.64 -2.07 116.94 117.86 2x49 h PHE 653 Ca -0.00 -0.56 -0.02 0.00 2.80 0.00 0.00 57.97 60.19 2x49 h PHE 653 Cb 0.70 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.70 2x49 h PHE 653 CO 0.00 1.40 0.27 0.82 -0.60 0.00 0.00 178.31 180.20 2x49 h ILE 654 N 0.41 1.19 -0.29 -0.55 2.04 -0.89 -1.17 117.51 118.26 2x49 h ILE 654 Ca -0.12 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.26 2x49 h ILE 654 Cb 1.67 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 2x49 h ILE 654 CO 0.20 0.21 0.07 0.50 0.00 0.00 0.00 178.15 179.13 2x49 h LYS 655 N 0.72 0.18 -0.50 2.37 1.63 -1.27 -1.50 116.57 118.19 2x49 h LYS 655 Ca 0.19 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.93 2x49 h LYS 655 Cb 0.09 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 2x49 h LYS 655 CO -0.03 0.12 0.13 -0.22 -3.45 0.00 0.00 179.45 176.00 2x49 h LYS 656 N 0.18 0.76 -0.40 1.90 3.64 -1.21 -2.27 116.57 119.17 2x49 h LYS 656 Ca 0.13 -0.14 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 2x49 h LYS 656 Cb 0.13 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2x49 h LYS 656 CO -0.16 0.68 -0.21 1.98 -2.27 0.00 0.00 179.45 179.46 2x49 h MET 657 N 0.73 0.85 0.00 1.90 4.05 -0.63 -3.32 114.93 118.51 2x49 h MET 657 Ca 0.17 -0.38 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 2x49 h MET 657 Cb 0.26 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 2x49 h MET 657 CO -0.00 1.02 -0.71 0.44 0.23 0.00 0.00 176.91 177.88 2x49 n ILE 658 N -4.22 0.00 0.41 1.77 -5.35 -0.62 -4.38 119.36 106.97 2x49 n ILE 658 Ca -0.02 -0.01 0.13 0.00 -0.27 0.00 0.00 62.75 62.59 2x49 n ILE 658 Cb 0.44 0.55 0.47 0.00 -1.74 0.00 0.00 39.64 39.36 2x49 n ILE 658 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 2x49 h GLU 659 N 0.00 0.00 -0.05 6.28 4.11 -1.51 0.11 114.58 123.52 2x49 h GLU 659 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2x49 h GLU 659 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2x49 h GLU 659 CO 0.00 0.00 -0.01 0.78 0.07 0.00 0.00 179.01 179.85 2x49 h GLY 660 N 3.05 0.11 1.14 1.06 0.00 -1.81 -3.05 103.07 103.57 2x49 h GLY 660 Ca 0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 47.33 46.94 2x49 h GLY 660 CO 0.00 0.08 -1.60 -0.09 0.00 0.00 0.00 176.54 174.93 2x49 h ARG 661 N -0.24 0.15 -2.15 4.80 2.43 -1.79 -3.41 114.38 114.16 2x49 h ARG 661 Ca 0.01 -0.25 -0.58 0.00 -0.81 0.00 0.00 59.98 58.36 2x49 h ARG 661 Cb 0.40 0.09 -0.41 0.00 -0.42 0.00 0.00 29.97 29.63 2x49 h ARG 661 CO 0.01 0.92 -0.78 1.19 -1.51 0.00 0.00 179.97 179.80 2x49 n PHE 662 N -3.32 2.55 0.31 2.20 3.72 0.36 -4.96 117.46 118.32 2x49 n PHE 662 Ca -0.17 -3.96 0.17 0.00 -0.05 0.00 0.00 57.45 53.44 2x49 n PHE 662 Cb 1.04 -0.48 0.72 0.00 -0.94 0.00 0.00 39.48 39.82 2x49 n PHE 662 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2x49 h PRO 663 N 3.71 0.00 -0.42 -1.08 0.13 -1.74 -2.74 132.00 129.86 2x49 h PRO 663 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2x49 h PRO 663 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2x49 h PRO 663 CO 0.72 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.24 2x49 n ASP 664 N -2.85 3.35 -4.33 1.44 8.00 -1.26 -4.82 116.55 116.09 2x49 n ASP 664 Ca 0.00 -1.95 -0.45 0.00 0.71 0.00 0.00 54.79 53.10 2x49 n ASP 664 Cb 0.23 -0.27 -0.06 0.00 -0.02 0.00 0.00 41.12 41.00 2x49 n ASP 664 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2x49 s LEU 665 N -1.26 5.99 0.54 0.64 2.96 -1.03 -3.68 118.68 122.84 2x49 s LEU 665 Ca 0.36 -1.66 -0.15 0.00 -0.22 0.00 0.00 54.13 52.45 2x49 s LEU 665 Cb 0.20 -2.19 -0.07 0.00 0.50 0.00 0.00 46.19 44.64 2x49 s LEU 665 CO 0.28 -0.79 1.00 -1.61 -1.32 0.00 0.00 176.35 173.91 2x49 s GLU 666 N 1.60 3.82 -0.17 1.98 0.41 -1.26 -4.87 118.70 120.20 2x49 s GLU 666 Ca 0.03 0.95 0.01 0.00 -0.41 0.00 0.00 54.97 55.55 2x49 s GLU 666 Cb -0.28 -2.11 0.03 0.00 -1.78 0.00 0.00 34.13 29.98 2x49 s GLU 666 CO 0.04 -0.38 -0.14 0.08 -0.49 0.00 0.00 175.26 174.36 2x49 s VAL 667 N -2.70 1.69 0.08 2.63 1.01 -1.26 -0.44 120.40 121.41 2x49 s VAL 667 Ca 0.59 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.82 2x49 s VAL 667 Cb -0.11 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2x49 s VAL 667 CO 0.36 0.39 -0.07 -0.76 0.00 0.00 0.00 175.10 175.02 2x49 s LEU 668 N 1.42 3.19 0.47 3.92 1.43 0.07 -4.95 118.68 124.23 2x49 s LEU 668 Ca 0.03 -0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 2x49 s LEU 668 Cb -0.14 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 2x49 s LEU 668 CO -0.10 0.19 0.78 -0.94 0.23 0.00 0.00 176.35 176.51 2x49 s SER 669 N -2.11 6.29 0.31 2.29 1.04 -1.26 -1.36 113.70 118.90 2x49 s SER 669 Ca 0.22 0.94 0.03 0.00 0.48 0.00 0.00 55.95 57.62 2x49 s SER 669 Cb -0.11 -2.25 0.61 0.00 0.10 0.00 0.00 66.02 64.36 2x49 s SER 669 CO 0.14 -0.55 1.89 -0.26 0.98 0.00 0.00 173.24 175.44 2x49 h PHE 670 N 0.35 1.00 -0.05 5.02 0.04 -1.53 -1.24 116.94 120.53 2x49 h PHE 670 Ca -0.47 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.25 2x49 h PHE 670 Cb 1.20 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 39.02 2x49 h PHE 670 CO 0.59 0.47 -0.33 0.78 -0.60 0.00 0.00 178.31 179.22 2x49 h GLY 671 N 0.94 0.09 2.00 -1.45 0.00 -1.94 -2.90 103.07 99.82 2x49 h GLY 671 Ca 0.42 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 2x49 h GLY 671 CO -0.18 0.07 -0.16 0.83 0.00 0.00 0.00 176.54 177.10 2x49 h GLU 672 N 0.08 0.00 -0.51 4.80 5.08 -1.58 -2.85 114.58 119.60 2x49 h GLU 672 Ca 0.01 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.17 2x49 h GLU 672 Cb 0.62 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.75 2x49 h GLU 672 CO 0.05 0.16 0.13 0.44 -1.00 0.00 0.00 179.01 178.78 2x49 n ILE 673 N -3.58 2.68 0.26 3.13 -5.35 -1.09 -4.17 119.36 111.23 2x49 n ILE 673 Ca -0.01 -2.18 0.09 0.00 -0.27 0.00 0.00 62.75 60.37 2x49 n ILE 673 Cb 0.30 -0.34 0.66 0.00 -1.74 0.00 0.00 39.64 38.52 2x49 n ILE 673 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2x49 h ALA 674 N 1.54 1.86 -0.64 -1.28 0.00 -1.55 -1.55 119.26 117.64 2x49 h ALA 674 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2x49 h ALA 674 Cb 1.94 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2x49 h ALA 674 CO 0.54 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.58 2x49 n ASP 675 N -4.38 3.65 -4.71 0.00 10.43 -1.26 -4.95 116.55 115.33 2x49 n ASP 675 Ca -0.03 -2.08 -0.30 0.00 2.57 0.00 0.00 54.79 54.95 2x49 n ASP 675 Cb 0.12 -0.46 0.13 0.00 1.84 0.00 0.00 41.12 42.75 2x49 n ASP 675 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 2x49 s SER 676 N -0.97 3.56 0.00 -2.24 1.04 -0.59 -5.00 113.70 109.50 2x49 s SER 676 Ca 0.44 1.71 0.00 0.00 0.48 0.00 0.00 55.95 58.58 2x49 s SER 676 Cb 0.24 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 64.00 2x49 s SER 676 CO 0.28 -2.62 0.00 0.29 0.98 0.00 0.00 173.24 172.18 2x49 n LYS 677 N -3.89 0.00 -2.05 4.02 5.02 -1.26 -5.02 118.16 114.98 2x49 n LYS 677 Ca 0.08 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.95 2x49 n LYS 677 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.52 2x49 n LYS 677 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2x49 s SER 678 N 0.49 6.71 -0.07 4.39 0.15 -1.26 -4.96 113.70 119.15 2x49 s SER 678 Ca 0.00 2.36 0.03 0.00 0.70 0.00 0.00 55.95 59.04 2x49 s SER 678 Cb 0.00 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.75 2x49 s SER 678 CO 0.00 -0.80 -0.17 -0.69 1.20 0.00 0.00 173.24 172.79 2x49 s VAL 679 N 2.19 1.47 -0.32 4.45 1.01 -1.26 -1.13 120.40 126.80 2x49 s VAL 679 Ca 0.69 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 62.01 2x49 s VAL 679 Cb -0.37 -1.30 0.09 0.00 0.00 0.00 0.00 36.38 34.79 2x49 s VAL 679 CO 0.30 0.43 0.02 0.21 0.00 0.00 0.00 175.10 176.06 2x49 s ASN 680 N 0.48 4.76 -0.48 3.32 2.47 0.44 -4.95 114.94 120.98 2x49 s ASN 680 Ca -0.15 -1.87 -0.25 0.00 0.42 0.00 0.00 52.86 51.02 2x49 s ASN 680 Cb -0.16 -1.64 0.03 0.00 -1.45 0.00 0.00 41.25 38.03 2x49 s ASN 680 CO 0.05 -0.34 0.92 -0.69 -3.72 0.00 0.00 177.10 173.32 2x49 s VAL 681 N 1.01 4.47 -1.08 -5.21 1.01 -1.26 -1.22 120.40 118.11 2x49 s VAL 681 Ca 0.04 0.65 0.25 0.00 0.00 0.00 0.00 61.98 62.93 2x49 s VAL 681 Cb -0.20 -4.45 0.05 0.00 0.00 0.00 0.00 36.38 31.78 2x49 s VAL 681 CO -0.06 -0.87 1.45 2.30 0.00 0.00 0.00 175.10 177.92 2x49 n ILE 682 N 6.38 0.00 -3.62 2.22 -5.35 0.54 -4.96 119.36 114.56 2x49 n ILE 682 Ca 0.05 -0.01 -0.05 0.00 -0.27 0.00 0.00 62.75 62.47 2x49 n ILE 682 Cb 0.48 0.23 -0.05 0.00 -1.74 0.00 0.00 39.64 38.57 2x49 n ILE 682 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2x49 s LYS 683 N -2.94 0.22 -0.08 6.28 2.20 -1.26 -5.06 119.74 119.10 2x49 s LYS 683 Ca 0.13 0.07 0.03 0.00 -0.36 0.00 0.00 55.97 55.83 2x49 s LYS 683 Cb 0.18 0.10 -0.02 0.00 -1.51 0.00 0.00 37.83 36.59 2x49 s LYS 683 CO 0.67 -0.07 -0.17 0.99 -0.36 0.00 0.00 175.35 176.41 2x49 s THR 684 N -0.96 2.74 -2.16 3.43 2.01 -1.26 -0.54 115.64 118.91 2x49 s THR 684 Ca 0.06 -0.81 0.31 0.00 0.31 0.00 0.00 61.69 61.56 2x49 s THR 684 Cb -0.01 -2.08 0.80 0.00 0.01 0.00 0.00 72.50 71.21 2x49 s THR 684 CO -0.06 0.56 2.08 -0.38 -0.69 0.00 0.00 174.62 176.13