#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hyx s ALA -2 N 0.00 -1.09 0.49 4.61 0.00 -1.26 -5.15 121.76 119.36 2hyx s ALA -2 Ca 0.00 0.22 -0.18 0.00 0.00 0.00 0.00 51.96 52.00 2hyx s ALA -2 Cb 0.00 0.57 -0.09 0.00 0.00 0.00 0.00 23.12 23.60 2hyx s ALA -2 CO 0.00 -0.58 0.98 -1.64 0.00 0.00 0.00 175.76 174.52 2hyx s MET -1 N -3.21 3.98 -0.16 0.00 1.00 -1.26 -5.06 119.30 114.59 2hyx s MET -1 Ca -0.01 1.04 -0.19 0.00 0.00 0.00 0.00 55.69 56.53 2hyx s MET -1 Cb 0.00 -2.14 0.05 0.00 0.00 0.00 0.00 34.83 32.74 2hyx s MET -1 CO -0.08 -0.25 0.51 -2.00 0.00 0.00 0.00 175.02 173.21 2hyx s GLU 366 N -3.76 0.66 -0.14 2.03 2.12 -1.26 -5.13 118.70 113.22 2hyx s GLU 366 Ca 0.61 0.55 -0.04 0.00 0.36 0.00 0.00 54.97 56.45 2hyx s GLU 366 Cb -0.10 0.32 -0.03 0.00 0.26 0.00 0.00 34.13 34.57 2hyx s GLU 366 CO 0.26 -0.11 -0.00 0.42 -0.54 0.00 0.00 175.26 175.28 2hyx s ILE 367 N -0.09 4.23 0.28 -3.70 1.01 -1.26 -5.06 121.20 116.61 2hyx s ILE 367 Ca -0.03 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 2hyx s ILE 367 Cb -0.03 -2.84 -0.12 0.00 0.01 0.00 0.00 42.46 39.47 2hyx s ILE 367 CO 0.02 0.52 1.54 0.54 0.00 0.00 0.00 174.94 177.56 2hyx n ARG 368 N 3.12 2.52 -0.57 2.79 1.74 -1.26 -1.50 116.66 123.49 2hyx n ARG 368 Ca -0.18 0.89 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 2hyx n ARG 368 Cb 0.53 -2.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.33 2hyx n ARG 368 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2hyx n GLU 369 N 2.03 0.00 -2.55 5.56 1.02 -1.26 -5.05 120.64 120.39 2hyx n GLU 369 Ca 0.09 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.85 2hyx n GLU 369 Cb 0.35 -1.44 -0.04 0.00 -0.02 0.00 0.00 31.44 30.29 2hyx n GLU 369 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2hyx s GLN 370 N -0.43 4.40 -0.03 3.49 0.74 -0.56 0.11 119.66 127.38 2hyx s GLN 370 Ca 0.00 1.59 -0.30 0.00 0.05 0.00 0.00 55.36 56.70 2hyx s GLN 370 Cb 0.00 -2.83 -0.04 0.00 1.10 0.00 0.00 33.01 31.25 2hyx s GLN 370 CO 0.00 0.06 1.17 -0.51 -0.55 0.00 0.00 175.29 175.45 2hyx s LEU 371 N -2.09 4.30 -1.18 3.68 1.43 -1.26 -4.59 118.68 118.96 2hyx s LEU 371 Ca 0.52 1.82 -0.10 0.00 -1.03 0.00 0.00 54.13 55.34 2hyx s LEU 371 Cb -0.25 -3.56 0.23 0.00 0.03 0.00 0.00 46.19 42.63 2hyx s LEU 371 CO 0.32 -0.53 1.44 0.59 0.23 0.00 0.00 176.35 178.41 2hyx n ASN 372 N 4.84 5.51 -4.75 2.29 3.02 -1.26 -5.01 115.26 119.90 2hyx n ASN 372 Ca 0.10 -3.10 -0.36 0.00 -0.03 0.00 0.00 54.58 51.19 2hyx n ASN 372 Cb 0.47 -1.44 0.04 0.00 -0.61 0.00 0.00 39.78 38.23 2hyx n ASN 372 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2hyx s LEU 373 N -0.41 3.64 0.48 3.41 1.43 -1.26 -4.70 118.68 121.27 2hyx s LEU 373 Ca 0.37 2.38 0.05 0.00 -1.03 0.00 0.00 54.13 55.90 2hyx s LEU 373 Cb -0.01 -4.60 -0.01 0.00 0.03 0.00 0.00 46.19 41.60 2hyx s LEU 373 CO -0.00 -1.64 0.22 -0.83 0.23 0.00 0.00 176.35 174.33 2hyx s GLY 374 N -1.64 2.50 0.00 -3.19 0.00 0.48 -4.99 107.32 100.48 2hyx s GLY 374 Ca 0.77 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 44.06 2hyx s GLY 374 CO 0.34 -1.98 0.00 0.61 0.00 0.00 0.00 173.10 172.07 2hyx n GLY 375 N -1.44 -1.00 3.70 0.20 0.00 -1.26 -4.36 105.19 101.03 2hyx n GLY 375 Ca -0.05 -1.12 -0.26 0.00 0.00 0.00 0.00 46.02 44.58 2hyx n GLY 375 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2hyx s ILE 376 N 0.00 2.13 0.19 -0.61 -4.36 -1.26 -5.05 121.20 112.24 2hyx s ILE 376 Ca 0.00 -1.81 -0.27 0.00 -0.26 0.00 0.00 60.65 58.31 2hyx s ILE 376 Cb 0.00 -2.94 -0.08 0.00 1.25 0.00 0.00 42.46 40.69 2hyx s ILE 376 CO 0.00 0.00 0.84 -0.69 0.24 0.00 0.00 174.94 175.33 2hyx s VAL 377 N -2.66 4.26 0.28 8.37 1.01 -1.26 -4.91 120.40 125.49 2hyx s VAL 377 Ca 0.37 1.85 0.04 0.00 0.00 0.00 0.00 61.98 64.23 2hyx s VAL 377 Cb 0.06 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2hyx s VAL 377 CO 0.20 0.51 0.20 0.54 0.00 0.00 0.00 175.10 176.55 2hyx s ASN 378 N -1.13 1.13 0.53 3.32 2.20 -1.26 -4.98 114.94 114.74 2hyx s ASN 378 Ca 0.38 -1.59 0.22 0.00 -0.94 0.00 0.00 52.86 50.93 2hyx s ASN 378 Cb -0.24 0.46 1.35 0.00 -2.00 0.00 0.00 41.25 40.82 2hyx s ASN 378 CO 0.28 -0.95 2.04 0.00 -2.94 0.00 0.00 177.10 175.53 2hyx h ALA 379 N 2.32 2.35 0.00 3.54 0.00 -2.01 -2.25 119.26 123.21 2hyx h ALA 379 Ca -0.31 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 2hyx h ALA 379 Cb 1.24 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2hyx h ALA 379 CO 0.45 -0.45 -0.65 1.96 0.00 0.00 0.00 179.25 180.56 2hyx h GLN 380 N 0.01 0.00 0.00 0.00 4.20 -1.96 -3.38 115.11 113.98 2hyx h GLN 380 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2hyx h GLN 380 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2hyx h GLN 380 CO -0.00 0.34 0.00 0.27 -0.67 0.00 0.00 178.83 178.77 2hyx n ASN 381 N -3.09 1.50 -0.23 1.46 0.23 -1.05 -4.23 115.26 109.84 2hyx n ASN 381 Ca -0.00 -1.59 0.30 0.00 -0.53 0.00 0.00 54.58 52.76 2hyx n ASN 381 Cb 0.71 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 39.13 2hyx n ASN 381 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2hyx h ALA 382 N 0.00 2.88 -0.07 -2.53 0.00 -1.61 -1.76 119.26 116.17 2hyx h ALA 382 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2hyx h ALA 382 Cb 0.37 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2hyx h ALA 382 CO 0.00 -1.17 0.00 1.04 0.00 0.00 0.00 179.25 179.12 2hyx n GLN 383 N -4.27 2.08 -0.23 0.00 6.02 -1.26 -4.37 117.38 115.36 2hyx n GLN 383 Ca 0.21 -1.59 0.09 0.00 -0.01 0.00 0.00 57.00 55.70 2hyx n GLN 383 Cb 1.03 -1.47 0.36 0.00 1.02 0.00 0.00 30.24 31.18 2hyx n GLN 383 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2hyx h LEU 384 N 3.72 0.67 0.00 1.08 3.38 -1.37 -0.25 115.31 122.54 2hyx h LEU 384 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2hyx h LEU 384 Cb 0.79 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2hyx h LEU 384 CO 0.00 0.40 0.00 -1.54 0.09 0.00 0.00 178.44 177.39 2hyx n SER 385 N -4.51 0.00 0.00 -0.43 3.41 -1.26 -1.51 113.62 109.32 2hyx n SER 385 Ca 0.14 0.32 0.13 0.00 -0.26 0.00 0.00 58.87 59.20 2hyx n SER 385 Cb 0.33 -0.38 0.69 0.00 -0.26 0.00 0.00 64.21 64.59 2hyx n SER 385 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2hyx n ASN 386 N -1.38 0.00 -4.88 4.04 3.02 -0.10 -4.72 115.26 111.23 2hyx n ASN 386 Ca 0.03 -0.10 -0.27 0.00 -0.03 0.00 0.00 54.58 54.21 2hyx n ASN 386 Cb 0.08 -0.29 -0.04 0.00 -0.61 0.00 0.00 39.78 38.92 2hyx n ASN 386 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hyx n SER 388 N -0.36 2.25 -4.49 0.00 3.41 -1.26 -4.51 113.62 108.66 2hyx n SER 388 Ca -0.07 -2.62 -0.42 0.00 -0.26 0.00 0.00 58.87 55.49 2hyx n SER 388 Cb 0.54 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 2hyx n SER 388 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2hyx s ASP 389 N -4.60 6.30 -0.58 4.04 3.68 0.12 -4.20 116.67 121.42 2hyx s ASP 389 Ca 0.57 -1.12 -0.04 0.00 2.13 0.00 0.00 52.55 54.09 2hyx s ASP 389 Cb -0.05 -2.47 0.00 0.00 -1.45 0.00 0.00 42.92 38.96 2hyx s ASP 389 CO 0.36 -1.47 0.51 0.61 0.13 0.00 0.00 175.17 175.31 2hyx n GLY 390 N 5.58 0.29 3.73 2.66 0.00 0.21 -4.89 105.19 112.77 2hyx n GLY 390 Ca 0.08 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 2hyx n GLY 390 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hyx n ALA 391 N -3.48 1.37 0.47 4.61 0.00 -1.26 -4.91 120.51 117.30 2hyx n ALA 391 Ca -0.01 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.66 2hyx n ALA 391 Cb 0.53 -2.33 0.38 0.00 0.00 0.00 0.00 19.45 18.03 2hyx n ALA 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hyx h ALA 392 N 1.17 1.00 -2.99 0.00 0.00 -1.94 -3.45 119.26 113.05 2hyx h ALA 392 Ca -0.51 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.76 2hyx h ALA 392 Cb 1.32 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.94 2hyx h ALA 392 CO 0.56 0.00 -0.79 -0.65 0.00 0.00 0.00 179.25 178.37 2hyx s GLN 393 N -3.20 1.66 0.40 0.00 -0.21 -1.26 -4.89 119.66 112.16 2hyx s GLN 393 Ca 0.08 -1.51 -0.27 0.00 0.02 0.00 0.00 55.36 53.68 2hyx s GLN 393 Cb 0.10 -1.90 -0.10 0.00 1.00 0.00 0.00 33.01 32.11 2hyx s GLN 393 CO 0.58 0.40 1.48 -0.51 -2.12 0.00 0.00 175.29 175.11 2hyx s LEU 394 N -2.85 4.25 0.00 2.90 1.43 -1.26 -4.97 118.68 118.18 2hyx s LEU 394 Ca 0.23 3.03 0.01 0.00 -1.03 0.00 0.00 54.13 56.38 2hyx s LEU 394 Cb -0.08 -3.75 -0.01 0.00 0.03 0.00 0.00 46.19 42.39 2hyx s LEU 394 CO 0.12 -0.99 0.05 -0.62 0.23 0.00 0.00 176.35 175.14 2hyx n GLU 395 N 0.24 0.82 -3.62 1.70 1.02 -0.07 -5.06 120.64 115.65 2hyx n GLU 395 Ca 0.02 -3.09 -0.24 0.00 -0.02 0.00 0.00 57.16 53.83 2hyx n GLU 395 Cb 0.40 1.17 -0.17 0.00 -0.02 0.00 0.00 31.44 32.82 2hyx n GLU 395 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2hyx s SER 396 N -3.30 1.94 -0.41 1.62 0.15 -1.26 -4.24 113.70 108.21 2hyx s SER 396 Ca 0.07 -0.39 0.11 0.00 0.70 0.00 0.00 55.95 56.45 2hyx s SER 396 Cb 0.00 -0.18 0.36 0.00 -1.71 0.00 0.00 66.02 64.49 2hyx s SER 396 CO 0.05 -0.32 0.79 0.00 1.20 0.00 0.00 173.24 174.97 2hyx n GLY 398 N 0.14 -2.45 3.77 0.00 0.00 -1.26 -3.60 105.19 101.79 2hyx n GLY 398 Ca 0.25 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 2hyx n GLY 398 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hyx s THR 399 N -2.78 2.32 0.27 2.61 2.01 -1.26 -0.89 115.64 117.92 2hyx s THR 399 Ca 0.00 0.30 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 2hyx s THR 399 Cb 0.00 -3.18 -0.11 0.00 0.01 0.00 0.00 72.50 69.21 2hyx s THR 399 CO 0.00 0.05 1.61 0.00 -0.69 0.00 0.00 174.62 175.59 2hyx s ALA 400 N -1.20 3.78 0.63 7.40 0.00 -0.02 -4.77 121.76 127.58 2hyx s ALA 400 Ca 0.56 1.56 -0.17 0.00 0.00 0.00 0.00 51.96 53.91 2hyx s ALA 400 Cb -0.42 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 19.03 2hyx s ALA 400 CO 0.55 -0.96 1.17 -2.14 0.00 0.00 0.00 175.76 174.38 2hyx s PRO 401 N -0.14 2.83 0.78 0.00 0.02 -1.26 -4.97 135.00 132.26 2hyx s PRO 401 Ca 0.65 1.66 -0.14 0.00 0.02 0.00 0.00 61.00 63.20 2hyx s PRO 401 Cb -0.48 -1.93 0.07 0.00 0.02 0.00 0.00 34.50 32.18 2hyx s PRO 401 CO 0.44 -1.28 1.22 -0.51 -0.33 0.00 0.00 177.00 176.55 2hyx s ASP 402 N -1.96 3.73 -0.62 2.53 -0.00 -1.26 -4.93 116.67 114.15 2hyx s ASP 402 Ca 0.73 2.40 -0.21 0.00 -0.00 0.00 0.00 52.55 55.48 2hyx s ASP 402 Cb -0.26 -2.59 0.08 0.00 -0.00 0.00 0.00 42.92 40.15 2hyx s ASP 402 CO 0.36 -2.57 0.84 -0.76 -0.00 0.00 0.00 175.17 173.04 2hyx s LEU 403 N -5.52 4.85 0.32 1.23 1.43 -1.26 -4.88 118.68 114.85 2hyx s LEU 403 Ca 0.74 -1.18 0.09 0.00 -1.03 0.00 0.00 54.13 52.75 2hyx s LEU 403 Cb -0.30 -2.37 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 2hyx s LEU 403 CO 0.49 -1.28 0.02 -1.59 0.23 0.00 0.00 176.35 174.22 2hyx s LYS 404 N 3.41 2.15 -1.22 1.70 -2.85 -1.26 -4.63 119.74 117.03 2hyx s LYS 404 Ca 0.17 -1.65 0.00 0.00 -1.00 0.00 0.00 55.97 53.49 2hyx s LYS 404 Cb -0.20 -2.01 0.00 0.00 -2.06 0.00 0.00 37.83 33.56 2hyx s LYS 404 CO 0.08 0.19 0.00 0.41 0.10 0.00 0.00 175.35 176.13 2hyx n GLY 405 N -0.95 1.11 3.65 0.59 0.00 -1.26 -2.63 105.19 105.69 2hyx n GLY 405 Ca -0.04 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2hyx n GLY 405 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hyx s ILE 406 N -2.02 3.38 -0.77 -0.61 -1.09 -1.26 -4.56 121.20 114.27 2hyx s ILE 406 Ca 0.00 0.45 0.26 0.00 -2.23 0.00 0.00 60.65 59.13 2hyx s ILE 406 Cb 0.00 -3.34 0.27 0.00 -1.58 0.00 0.00 42.46 37.81 2hyx s ILE 406 CO 0.00 -0.10 1.80 0.35 -1.23 0.00 0.00 174.94 175.76 2hyx n THR 407 N 6.01 0.51 -3.62 2.92 -2.24 -0.21 -4.93 114.28 112.72 2hyx n THR 407 Ca 0.20 -0.18 -0.03 0.00 -2.27 0.00 0.00 64.05 61.76 2hyx n THR 407 Cb 0.43 -0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 68.02 2hyx n THR 407 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2hyx s GLY 408 N -3.45 -0.22 0.08 3.38 0.00 -1.24 -5.01 107.32 100.86 2hyx s GLY 408 Ca 0.11 1.86 0.06 0.00 0.00 0.00 0.00 44.72 46.76 2hyx s GLY 408 CO 0.56 0.65 -0.17 -0.98 0.00 0.00 0.00 173.10 173.16 2hyx s TRP 409 N -2.09 1.48 0.10 1.90 0.52 -1.26 -0.58 118.94 119.00 2hyx s TRP 409 Ca 0.10 -0.42 0.05 0.00 0.02 0.00 0.00 56.10 55.85 2hyx s TRP 409 Cb -0.01 -0.83 -0.03 0.00 -1.15 0.00 0.00 33.47 31.44 2hyx s TRP 409 CO -0.04 0.11 -0.13 -0.51 0.02 0.00 0.00 176.95 176.41 2hyx s LEU 410 N -1.66 2.37 -1.28 2.99 1.43 -0.08 -4.74 118.68 117.71 2hyx s LEU 410 Ca 0.02 -0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 52.36 2hyx s LEU 410 Cb -0.10 -0.45 0.00 0.00 0.03 0.00 0.00 46.19 45.68 2hyx s LEU 410 CO 0.03 -0.17 0.13 0.59 0.23 0.00 0.00 176.35 177.16 2hyx n ASN 411 N 0.75 -4.74 -4.16 2.29 3.02 -1.26 -0.55 115.26 110.61 2hyx n ASN 411 Ca -0.17 -0.07 -0.17 0.00 -0.03 0.00 0.00 54.58 54.13 2hyx n ASN 411 Cb 0.56 -3.79 -0.12 0.00 -0.61 0.00 0.00 39.78 35.82 2hyx n ASN 411 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2hyx s THR 412 N -2.84 1.03 -0.16 3.41 -4.23 -1.26 -3.94 115.64 107.64 2hyx s THR 412 Ca 0.06 -1.33 -0.36 0.00 -1.18 0.00 0.00 61.69 58.88 2hyx s THR 412 Cb -0.03 -1.06 -0.13 0.00 1.34 0.00 0.00 72.50 72.62 2hyx s THR 412 CO 0.08 -0.29 1.86 -2.65 -0.54 0.00 0.00 174.62 173.08 2hyx n PRO 413 N 1.19 1.81 -1.46 3.99 -0.02 -1.26 0.17 135.00 139.42 2hyx n PRO 413 Ca -0.21 0.66 -0.16 0.00 -2.02 0.00 0.00 63.50 61.77 2hyx n PRO 413 Cb 0.55 -2.48 -0.07 0.00 -0.02 0.00 0.00 33.50 31.48 2hyx n PRO 413 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hyx n GLY 414 N 4.48 1.56 2.49 -1.23 0.00 -1.26 -2.35 105.19 108.88 2hyx n GLY 414 Ca 0.25 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 2hyx n GLY 414 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hyx n ASN 415 N -0.94 -4.75 -4.83 1.61 3.02 0.13 -4.96 115.26 104.54 2hyx n ASN 415 Ca -0.16 0.07 -0.33 0.00 -0.03 0.00 0.00 54.58 54.14 2hyx n ASN 415 Cb 0.58 -3.98 -0.04 0.00 -0.61 0.00 0.00 39.78 35.72 2hyx n ASN 415 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2hyx s LYS 416 N -5.11 3.94 0.92 3.52 1.02 -0.99 -4.32 119.74 118.72 2hyx s LYS 416 Ca 0.03 1.08 -0.11 0.00 0.02 0.00 0.00 55.97 56.99 2hyx s LYS 416 Cb -0.01 -2.13 0.15 0.00 -0.52 0.00 0.00 37.83 35.31 2hyx s LYS 416 CO 0.04 -0.28 1.09 -2.14 -0.92 0.00 0.00 175.35 173.14 2hyx s PRO 417 N -3.70 1.02 -0.10 -1.68 0.02 -1.26 -4.78 135.00 124.51 2hyx s PRO 417 Ca 0.61 0.94 0.02 0.00 0.02 0.00 0.00 61.00 62.60 2hyx s PRO 417 Cb -0.11 -1.77 0.01 0.00 0.02 0.00 0.00 34.50 32.65 2hyx s PRO 417 CO 0.25 -2.44 -0.17 0.42 -0.33 0.00 0.00 177.00 174.73 2hyx s ILE 418 N -2.83 1.62 -0.15 2.83 1.01 -1.26 -5.10 121.20 117.31 2hyx s ILE 418 Ca 0.64 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 60.43 2hyx s ILE 418 Cb -0.19 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 2hyx s ILE 418 CO 0.58 0.46 0.27 -0.62 0.00 0.00 0.00 174.94 175.63 2hyx s ASP 419 N 0.78 6.42 0.45 3.58 3.68 -1.26 -4.95 116.67 125.37 2hyx s ASP 419 Ca -0.11 0.49 0.17 0.00 2.13 0.00 0.00 52.55 55.23 2hyx s ASP 419 Cb -0.16 -2.17 1.10 0.00 -1.45 0.00 0.00 42.92 40.25 2hyx s ASP 419 CO 0.01 0.14 1.96 -0.07 0.13 0.00 0.00 175.17 177.34 2hyx h LEU 420 N 6.46 0.31 -2.10 -1.34 3.38 -1.96 -0.88 115.31 119.18 2hyx h LEU 420 Ca -0.43 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 2hyx h LEU 420 Cb 1.17 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2hyx h LEU 420 CO 0.74 0.17 -0.04 0.11 0.09 0.00 0.00 178.44 179.51 2hyx h LYS 421 N 0.34 0.00 0.00 1.13 1.57 -1.99 0.10 116.57 117.72 2hyx h LYS 421 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 2hyx h LYS 421 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2hyx h LYS 421 CO -0.08 0.04 0.00 -1.13 -0.57 0.00 0.00 179.45 177.71 2hyx n SER 422 N -4.18 0.19 -0.88 0.86 3.41 -0.34 -2.68 113.62 110.00 2hyx n SER 422 Ca -0.03 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.23 2hyx n SER 422 Cb 0.12 -0.58 0.25 0.00 -0.26 0.00 0.00 64.21 63.75 2hyx n SER 422 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2hyx n LEU 423 N -1.69 2.69 -4.69 1.04 4.77 0.35 -4.95 117.00 114.52 2hyx n LEU 423 Ca 0.05 -1.04 -0.43 0.00 -0.03 0.00 0.00 56.01 54.56 2hyx n LEU 423 Cb 0.26 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2hyx n LEU 423 CO 0.21 0.52 0.86 0.54 -1.33 0.00 0.00 177.39 178.19 2hyx n ARG 424 N 1.04 2.04 0.00 3.23 5.12 -1.09 -1.16 116.66 125.84 2hyx n ARG 424 Ca 0.17 0.71 0.00 0.00 -1.93 0.00 0.00 57.85 56.80 2hyx n ARG 424 Cb 0.52 -2.27 0.00 0.00 -1.16 0.00 0.00 32.46 29.54 2hyx n ARG 424 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hyx n GLY 425 N 0.82 3.04 3.58 -0.13 0.00 0.32 -5.04 105.19 107.78 2hyx n GLY 425 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 2hyx n GLY 425 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hyx s LYS 426 N -0.61 2.08 0.08 1.61 1.02 -0.31 -4.81 119.74 118.79 2hyx s LYS 426 Ca 0.00 -1.32 -0.25 0.00 0.02 0.00 0.00 55.97 54.42 2hyx s LYS 426 Cb 0.00 -2.14 -0.06 0.00 -0.52 0.00 0.00 37.83 35.11 2hyx s LYS 426 CO 0.00 0.42 0.75 0.08 -0.92 0.00 0.00 175.35 175.68 2hyx s VAL 427 N -1.86 4.64 -0.09 3.17 1.01 -0.50 -3.53 120.40 123.24 2hyx s VAL 427 Ca 0.26 1.61 0.03 0.00 0.00 0.00 0.00 61.98 63.88 2hyx s VAL 427 Cb -0.08 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.20 2hyx s VAL 427 CO 0.16 0.42 -0.18 -0.69 0.00 0.00 0.00 175.10 174.81 2hyx s VAL 428 N -0.42 1.59 -0.27 2.92 1.01 0.50 -0.63 120.40 125.10 2hyx s VAL 428 Ca 0.37 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 2hyx s VAL 428 Cb -0.21 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.75 2hyx s VAL 428 CO 0.23 0.46 0.06 -0.22 0.00 0.00 0.00 175.10 175.63 2hyx s LEU 429 N 0.58 3.60 -0.26 3.92 2.96 -0.14 0.08 118.68 129.43 2hyx s LEU 429 Ca -0.15 -0.52 -0.15 0.00 -0.22 0.00 0.00 54.13 53.09 2hyx s LEU 429 Cb -0.17 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 2hyx s LEU 429 CO 0.05 -0.12 0.39 -0.63 -1.32 0.00 0.00 176.35 174.72 2hyx s ILE 430 N 1.53 5.17 -0.24 6.68 -1.09 0.27 -1.37 121.20 132.14 2hyx s ILE 430 Ca 0.04 0.63 0.02 0.00 -2.23 0.00 0.00 60.65 59.11 2hyx s ILE 430 Cb -0.16 -3.72 0.05 0.00 -1.58 0.00 0.00 42.46 37.05 2hyx s ILE 430 CO 0.02 0.17 -0.13 -0.62 -1.23 0.00 0.00 174.94 173.15 2hyx s ASP 431 N 1.51 4.13 0.00 3.58 -1.08 -0.28 -1.22 116.67 123.30 2hyx s ASP 431 Ca 0.16 -1.18 -0.25 0.00 -0.52 0.00 0.00 52.55 50.76 2hyx s ASP 431 Cb -0.16 -1.54 -0.05 0.00 -1.46 0.00 0.00 42.92 39.72 2hyx s ASP 431 CO 0.09 -0.14 0.77 -0.36 0.52 0.00 0.00 175.17 176.05 2hyx s PHE 432 N 1.16 3.68 0.29 -5.34 0.40 0.30 -0.35 117.98 118.12 2hyx s PHE 432 Ca -0.05 1.43 -0.14 0.00 -0.60 0.00 0.00 56.93 57.57 2hyx s PHE 432 Cb -0.18 -2.85 0.01 0.00 0.51 0.00 0.00 43.02 40.51 2hyx s PHE 432 CO -0.07 0.18 0.58 1.67 0.70 0.00 0.00 175.22 178.29 2hyx s TRP 433 N 0.34 0.27 -0.08 0.36 1.48 -0.50 -3.22 118.94 117.58 2hyx s TRP 433 Ca 0.40 -0.68 -0.04 0.00 -1.06 0.00 0.00 56.10 54.72 2hyx s TRP 433 Cb -0.20 0.38 0.04 0.00 -1.16 0.00 0.00 33.47 32.54 2hyx s TRP 433 CO 0.22 -1.16 0.17 0.00 -4.06 0.00 0.00 176.95 172.13 2hyx s ALA 434 N -3.64 -0.36 0.52 2.67 0.00 -1.26 -1.27 121.76 118.42 2hyx s ALA 434 Ca 0.19 0.75 0.30 0.00 0.00 0.00 0.00 51.96 53.21 2hyx s ALA 434 Cb -0.03 -0.49 1.73 0.00 0.00 0.00 0.00 23.12 24.34 2hyx s ALA 434 CO 0.10 -0.16 2.19 0.10 0.00 0.00 0.00 175.76 177.99 2hyx h TYR 435 N 7.11 0.00 -0.01 0.00 -0.00 -1.94 -2.19 116.97 119.94 2hyx h TYR 435 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.32 2hyx h TYR 435 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.88 2hyx h TYR 435 CO 0.41 0.05 -0.26 -1.13 -0.00 0.00 0.00 178.16 177.22 2hyx n SER 436 N -3.68 1.38 -4.63 0.10 3.41 -1.26 -4.85 113.62 104.08 2hyx n SER 436 Ca -0.02 -1.14 -0.43 0.00 -0.26 0.00 0.00 58.87 57.01 2hyx n SER 436 Cb 0.14 0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 2hyx n SER 436 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hyx h ILE 438 N 6.09 1.22 -0.57 0.00 6.09 -1.89 0.32 117.51 128.77 2hyx h ILE 438 Ca -0.32 -0.92 -0.02 0.00 -1.37 0.00 0.00 64.86 62.23 2hyx h ILE 438 Cb 1.14 0.94 -0.03 0.00 0.47 0.00 0.00 36.82 39.35 2hyx h ILE 438 CO 1.01 0.32 0.27 0.78 -3.07 0.00 0.00 178.15 177.46 2hyx h ASN 439 N 0.61 0.74 -0.58 2.19 4.21 -1.90 -1.66 115.58 119.19 2hyx h ASN 439 Ca 0.12 -0.13 -0.08 0.00 1.21 0.00 0.00 56.30 57.42 2hyx h ASN 439 Cb 0.41 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 37.40 2hyx h ASN 439 CO 0.02 0.66 0.03 0.00 -1.29 0.00 0.00 177.43 176.85 2hyx h GLN 441 N 0.89 0.54 0.01 0.00 4.20 -0.55 0.27 115.11 120.47 2hyx h GLN 441 Ca 0.17 -0.04 -0.21 0.00 0.06 0.00 0.00 58.65 58.62 2hyx h GLN 441 Cb 0.51 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 2hyx h GLN 441 CO 0.02 0.38 -0.92 0.00 -0.67 0.00 0.00 178.83 177.65 2hyx h ARG 442 N 0.55 0.30 0.08 1.46 3.08 -0.98 -3.33 114.38 115.54 2hyx h ARG 442 Ca 0.15 -0.33 -0.26 0.00 0.07 0.00 0.00 59.98 59.60 2hyx h ARG 442 Cb -0.02 0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.14 2hyx h ARG 442 CO -0.03 1.04 -1.13 0.00 -1.07 0.00 0.00 179.97 178.78 2hyx h ALA 443 N 0.85 0.18 -0.86 0.04 0.00 -0.78 -3.37 119.26 115.32 2hyx h ALA 443 Ca -0.06 -0.79 0.15 0.00 0.00 0.00 0.00 54.91 54.21 2hyx h ALA 443 Cb 1.55 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 2hyx h ALA 443 CO 0.15 0.85 0.56 0.82 0.00 0.00 0.00 179.25 181.63 2hyx h ILE 444 N 0.18 0.80 -0.27 0.00 2.04 -1.07 -0.77 117.51 118.42 2hyx h ILE 444 Ca -0.13 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.58 2hyx h ILE 444 Cb 1.81 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2hyx h ILE 444 CO 0.20 0.11 0.18 -0.65 0.00 0.00 0.00 178.15 177.99 2hyx h PRO 445 N 0.59 0.16 -0.25 2.37 0.11 -1.74 0.24 132.00 133.46 2hyx h PRO 445 Ca 0.43 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.47 2hyx h PRO 445 Cb 0.81 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 2hyx h PRO 445 CO -0.18 0.10 -0.10 0.45 -0.21 0.00 0.00 178.00 178.06 2hyx h HIS 446 N 0.16 0.59 -0.45 0.65 3.86 -1.38 -0.12 115.15 118.46 2hyx h HIS 446 Ca 0.12 -0.14 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 2hyx h HIS 446 Cb 0.27 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 2hyx h HIS 446 CO -0.00 0.76 0.14 0.28 0.86 0.00 0.00 177.93 179.97 2hyx h VAL 447 N 0.25 1.22 -0.91 2.45 2.07 -1.17 -0.63 116.25 119.53 2hyx h VAL 447 Ca 0.06 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2hyx h VAL 447 Cb 0.59 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 2hyx h VAL 447 CO 0.03 0.26 0.58 0.58 0.02 0.00 0.00 177.57 179.05 2hyx h VAL 448 N 0.58 1.24 -0.69 2.57 2.07 -0.51 0.03 116.25 121.54 2hyx h VAL 448 Ca 0.14 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 2hyx h VAL 448 Cb 0.26 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 2hyx h VAL 448 CO -0.01 0.24 0.20 1.23 0.02 0.00 0.00 177.57 179.26 2hyx h GLY 449 N 1.25 1.16 0.94 2.17 0.00 -0.43 -1.97 103.07 106.18 2hyx h GLY 449 Ca 0.33 -0.70 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 2hyx h GLY 449 CO -0.07 0.65 -0.08 1.49 0.00 0.00 0.00 176.54 178.54 2hyx h TRP 450 N 1.01 0.75 -0.61 5.60 6.55 -0.34 -1.91 115.95 127.00 2hyx h TRP 450 Ca 0.22 -0.16 0.04 0.00 0.95 0.00 0.00 58.89 59.94 2hyx h TRP 450 Cb 0.32 -0.19 -0.04 0.00 -0.86 0.00 0.00 29.16 28.39 2hyx h TRP 450 CO 0.02 0.83 0.36 -0.92 -1.05 0.00 0.00 178.44 177.68 2hyx h TYR 451 N 0.47 0.67 -0.43 0.49 3.20 -0.87 0.11 116.97 120.60 2hyx h TYR 451 Ca 0.09 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.87 2hyx h TYR 451 Cb 0.58 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 2hyx h TYR 451 CO 0.05 0.37 -0.17 1.96 -1.64 0.00 0.00 178.16 178.72 2hyx h GLN 452 N 0.70 0.83 0.03 1.82 7.50 -1.28 -0.36 115.11 124.36 2hyx h GLN 452 Ca 0.26 -0.32 -0.22 0.00 0.50 0.00 0.00 58.65 58.87 2hyx h GLN 452 Cb 0.07 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.54 2hyx h GLN 452 CO -0.12 0.94 -0.98 0.00 -1.50 0.00 0.00 178.83 177.17 2hyx h ALA 453 N 1.06 0.39 -0.00 3.87 0.00 -0.94 -3.39 119.26 120.25 2hyx h ALA 453 Ca 0.11 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2hyx h ALA 453 Cb 0.69 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2hyx h ALA 453 CO 0.05 0.99 -0.04 0.66 0.00 0.00 0.00 179.25 180.91 2hyx n TYR 454 N -3.57 0.00 -0.12 0.00 0.53 0.33 -4.72 117.16 109.61 2hyx n TYR 454 Ca -0.04 0.00 0.08 0.00 -1.02 0.00 0.00 57.90 56.92 2hyx n TYR 454 Cb 0.88 0.00 0.42 0.00 -1.03 0.00 0.00 39.34 39.61 2hyx n TYR 454 CO 0.00 0.00 0.00 1.57 -1.02 0.00 0.00 176.86 177.41 2hyx h LYS 455 N 0.66 0.58 -0.23 -0.72 2.10 -1.21 0.87 116.57 118.61 2hyx h LYS 455 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2hyx h LYS 455 Cb 0.16 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 2hyx h LYS 455 CO 0.00 0.38 0.00 -0.25 -2.00 0.00 0.00 179.45 177.58 2hyx n ASP 456 N -4.48 1.73 -0.44 7.07 8.00 -1.26 -3.40 116.55 123.77 2hyx n ASP 456 Ca 0.09 -1.81 0.05 0.00 0.71 0.00 0.00 54.79 53.83 2hyx n ASP 456 Cb 0.25 -0.15 0.08 0.00 -0.02 0.00 0.00 41.12 41.28 2hyx n ASP 456 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2hyx n SER 457 N 0.39 2.25 0.00 -2.24 7.64 0.21 -4.97 113.62 116.89 2hyx n SER 457 Ca 0.15 -1.68 0.00 0.00 1.01 0.00 0.00 58.87 58.34 2hyx n SER 457 Cb 0.32 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 2hyx n SER 457 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hyx n GLY 458 N 0.43 1.14 3.72 0.23 0.00 -1.01 -4.93 105.19 104.77 2hyx n GLY 458 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 2hyx n GLY 458 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hyx s LEU 459 N 0.00 4.23 -0.03 0.99 2.96 -0.65 -1.41 118.68 124.77 2hyx s LEU 459 Ca 0.00 0.52 0.05 0.00 -0.22 0.00 0.00 54.13 54.49 2hyx s LEU 459 Cb 0.00 -2.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 2hyx s LEU 459 CO 0.00 0.07 -0.18 0.00 -1.32 0.00 0.00 176.35 174.93 2hyx s ALA 460 N 0.57 2.53 -0.03 5.97 0.00 0.20 -4.14 121.76 126.87 2hyx s ALA 460 Ca 0.17 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.13 2hyx s ALA 460 Cb -0.13 -0.83 -0.00 0.00 0.00 0.00 0.00 23.12 22.15 2hyx s ALA 460 CO 0.05 0.55 -0.14 0.08 0.00 0.00 0.00 175.76 176.30 2hyx s VAL 461 N -0.73 1.15 -0.13 0.00 1.01 -1.26 -0.96 120.40 119.48 2hyx s VAL 461 Ca 0.12 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 2hyx s VAL 461 Cb -0.10 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.31 2hyx s VAL 461 CO 0.01 0.34 -0.09 -0.63 0.00 0.00 0.00 175.10 174.72 2hyx s ILE 462 N 0.02 1.18 -0.59 2.22 1.01 -0.47 -3.83 121.20 120.75 2hyx s ILE 462 Ca -0.02 -0.40 -0.20 0.00 0.00 0.00 0.00 60.65 60.03 2hyx s ILE 462 Cb -0.09 -1.18 0.08 0.00 0.01 0.00 0.00 42.46 41.28 2hyx s ILE 462 CO 0.01 0.38 0.78 -0.83 0.00 0.00 0.00 174.94 175.28 2hyx s GLY 463 N 1.64 1.63 -0.51 6.18 0.00 0.04 -1.13 107.32 115.17 2hyx s GLY 463 Ca 0.05 -1.92 -0.27 0.00 0.00 0.00 0.00 44.72 42.58 2hyx s GLY 463 CO -0.09 1.73 1.07 0.14 0.00 0.00 0.00 173.10 175.95 2hyx s VAL 464 N 3.16 4.25 -0.64 1.40 1.01 0.52 -1.02 120.40 129.07 2hyx s VAL 464 Ca 0.17 0.88 -0.22 0.00 0.00 0.00 0.00 61.98 62.81 2hyx s VAL 464 Cb -0.20 -4.59 0.07 0.00 0.00 0.00 0.00 36.38 31.66 2hyx s VAL 464 CO 0.10 -1.07 0.93 -2.28 0.00 0.00 0.00 175.10 172.77 2hyx s HIS 465 N 4.35 2.73 -0.37 5.22 2.46 0.56 -1.41 115.29 128.82 2hyx s HIS 465 Ca 0.41 -0.55 -0.12 0.00 0.47 0.00 0.00 55.06 55.28 2hyx s HIS 465 Cb -0.09 -4.22 0.02 0.00 -0.13 0.00 0.00 32.58 28.16 2hyx s HIS 465 CO 0.27 -1.57 0.22 0.99 -2.47 0.00 0.00 174.74 172.17 2hyx s THR 466 N 3.87 4.76 0.26 0.89 2.01 -0.39 -1.22 115.64 125.82 2hyx s THR 466 Ca 0.21 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 2hyx s THR 466 Cb -0.17 -3.60 -0.10 0.00 0.01 0.00 0.00 72.50 68.63 2hyx s THR 466 CO 0.11 -0.18 1.49 -2.16 -0.69 0.00 0.00 174.62 173.18 2hyx s PRO 467 N 1.60 4.22 -0.11 4.92 0.04 -1.26 -4.43 135.00 139.99 2hyx s PRO 467 Ca 0.03 2.38 0.13 0.00 0.04 0.00 0.00 61.00 63.59 2hyx s PRO 467 Cb -0.19 -3.08 -0.24 0.00 0.04 0.00 0.00 34.50 31.03 2hyx s PRO 467 CO 0.07 -0.49 0.43 -1.91 0.04 0.00 0.00 177.00 175.15 2hyx n GLU 468 N 2.30 0.66 -4.38 4.56 2.13 -1.26 -4.96 120.64 119.69 2hyx n GLU 468 Ca 0.07 0.19 -0.22 0.00 0.66 0.00 0.00 57.16 57.86 2hyx n GLU 468 Cb 0.39 -1.69 -0.11 0.00 0.27 0.00 0.00 31.44 30.31 2hyx n GLU 468 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2hyx s TYR 469 N -2.56 1.97 0.27 4.31 1.51 -1.26 -5.05 117.35 116.53 2hyx s TYR 469 Ca -0.08 -0.45 -0.02 0.00 -1.01 0.00 0.00 57.07 55.52 2hyx s TYR 469 Cb 0.07 -0.94 0.43 0.00 -0.11 0.00 0.00 41.96 41.42 2hyx s TYR 469 CO 0.82 0.44 1.87 0.00 -1.11 0.00 0.00 175.55 177.57 2hyx h ALA 470 N 2.91 1.39 0.00 3.71 0.00 -1.99 -0.70 119.26 124.58 2hyx h ALA 470 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2hyx h ALA 470 Cb 1.22 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2hyx h ALA 470 CO 0.55 0.37 0.00 0.27 0.00 0.00 0.00 179.25 180.43 2hyx h PHE 471 N 1.10 0.00 -0.00 0.00 -0.00 -1.99 -0.98 116.94 115.08 2hyx h PHE 471 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.41 2hyx h PHE 471 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.20 2hyx h PHE 471 CO -0.01 0.00 -0.01 0.39 -0.00 0.00 0.00 178.31 178.68 2hyx n GLU 472 N -2.73 0.49 0.06 6.09 1.02 -0.27 -2.95 120.64 122.34 2hyx n GLU 472 Ca -0.01 -0.02 0.13 0.00 -0.02 0.00 0.00 57.16 57.24 2hyx n GLU 472 Cb 0.17 -1.50 0.30 0.00 -0.02 0.00 0.00 31.44 30.39 2hyx n GLU 472 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2hyx n LYS 473 N -1.24 0.22 -2.40 3.49 5.02 -0.37 -4.73 118.16 118.14 2hyx n LYS 473 Ca 0.15 0.11 -0.43 0.00 -2.02 0.00 0.00 58.31 56.12 2hyx n LYS 473 Cb 0.23 -1.68 -0.02 0.00 -0.02 0.00 0.00 35.03 33.54 2hyx n LYS 473 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2hyx s VAL 474 N -3.11 3.97 0.24 -0.18 1.01 -1.15 -4.92 120.40 116.26 2hyx s VAL 474 Ca 0.09 1.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.96 2hyx s VAL 474 Cb 0.14 -4.27 0.35 0.00 0.00 0.00 0.00 36.38 32.59 2hyx s VAL 474 CO 0.66 -0.78 1.59 -0.65 0.00 0.00 0.00 175.10 175.92 2hyx h PRO 475 N 10.34 -0.00 -0.56 2.72 0.11 -1.91 0.13 132.00 142.83 2hyx h PRO 475 Ca -0.27 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.90 2hyx h PRO 475 Cb 1.10 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 2hyx h PRO 475 CO 1.09 -0.00 0.37 0.78 -0.21 0.00 0.00 178.00 180.03 2hyx h GLY 476 N -0.00 0.65 1.14 -0.55 0.00 -1.97 -0.24 103.07 102.09 2hyx h GLY 476 Ca 0.39 -0.21 -0.17 0.00 0.00 0.00 0.00 47.33 47.34 2hyx h GLY 476 CO -0.84 0.16 -0.45 3.43 0.00 0.00 0.00 176.54 178.84 2hyx h ASN 477 N 0.52 1.00 -0.46 0.19 2.35 -1.08 -2.39 115.58 115.71 2hyx h ASN 477 Ca 0.24 -0.49 -0.05 0.00 -0.55 0.00 0.00 56.30 55.45 2hyx h ASN 477 Cb 0.28 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2hyx h ASN 477 CO -0.07 1.29 0.08 0.58 -1.65 0.00 0.00 177.43 177.66 2hyx h VAL 478 N 0.74 1.25 -0.59 2.81 2.07 -0.87 -0.73 116.25 120.92 2hyx h VAL 478 Ca 0.04 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 66.71 2hyx h VAL 478 Cb 1.05 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 2hyx h VAL 478 CO 0.11 0.32 0.32 0.00 0.02 0.00 0.00 177.57 178.33 2hyx h ALA 479 N 0.95 0.77 -0.47 1.67 0.00 -1.02 0.33 119.26 121.50 2hyx h ALA 479 Ca 0.14 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2hyx h ALA 479 Cb 0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2hyx h ALA 479 CO 0.01 -0.01 -0.11 0.87 0.00 0.00 0.00 179.25 180.01 2hyx h LYS 480 N 0.61 0.86 -0.46 0.00 1.57 -1.20 -0.91 116.57 117.03 2hyx h LYS 480 Ca 0.26 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 2hyx h LYS 480 Cb 0.14 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2hyx h LYS 480 CO -0.16 0.93 0.09 0.78 -0.57 0.00 0.00 179.45 180.53 2hyx h GLY 481 N 0.97 0.81 0.99 3.86 0.00 -0.11 -1.93 103.07 107.66 2hyx h GLY 481 Ca 0.13 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 2hyx h GLY 481 CO 0.04 0.49 0.28 0.00 0.00 0.00 0.00 176.54 177.35 2hyx h ALA 482 N 0.96 0.77 -0.84 3.60 0.00 -0.19 -2.14 119.26 121.42 2hyx h ALA 482 Ca 0.14 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2hyx h ALA 482 Cb 0.36 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2hyx h ALA 482 CO 0.01 0.33 0.55 0.00 0.00 0.00 0.00 179.25 180.14 2hyx h ALA 483 N 1.12 1.09 0.00 0.00 0.00 -0.95 -1.18 119.26 119.33 2hyx h ALA 483 Ca 0.20 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2hyx h ALA 483 Cb 0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2hyx h ALA 483 CO -0.03 0.44 -0.35 -0.91 0.00 0.00 0.00 179.25 178.40 2hyx h ASN 484 N 1.11 0.00 -0.10 0.00 2.35 -1.02 -2.60 115.58 115.31 2hyx h ASN 484 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 2hyx h ASN 484 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 2hyx h ASN 484 CO -0.09 0.35 0.00 0.18 -1.65 0.00 0.00 177.43 176.23 2hyx n LEU 485 N -4.07 1.73 -1.37 1.61 4.77 -0.69 -4.94 117.00 114.04 2hyx n LEU 485 Ca -0.02 -0.65 -0.13 0.00 -0.03 0.00 0.00 56.01 55.18 2hyx n LEU 485 Cb 0.40 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 2hyx n LEU 485 CO 0.38 0.33 -0.16 0.61 -1.33 0.00 0.00 177.39 177.22 2hyx n GLY 486 N 1.18 0.30 3.64 -0.72 0.00 -0.55 -4.81 105.19 104.23 2hyx n GLY 486 Ca 0.18 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2hyx n GLY 486 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hyx s ILE 487 N -2.61 4.56 -0.44 -0.61 1.01 -0.61 -4.87 121.20 117.62 2hyx s ILE 487 Ca 0.00 1.82 0.05 0.00 0.00 0.00 0.00 60.65 62.52 2hyx s ILE 487 Cb 0.00 -4.39 -0.00 0.00 0.01 0.00 0.00 42.46 38.08 2hyx s ILE 487 CO 0.00 -0.39 0.43 -1.54 0.00 0.00 0.00 174.94 173.44 2hyx n SER 488 N 6.71 0.83 -4.90 3.58 3.41 -1.26 -4.68 113.62 117.31 2hyx n SER 488 Ca 0.12 -0.92 -0.28 0.00 -0.26 0.00 0.00 58.87 57.53 2hyx n SER 488 Cb 0.47 0.50 0.01 0.00 -0.26 0.00 0.00 64.21 64.93 2hyx n SER 488 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2hyx s TYR 489 N -0.94 3.51 0.23 7.33 -0.85 -1.26 -4.92 117.35 120.45 2hyx s TYR 489 Ca 0.04 0.92 -0.31 0.00 -0.52 0.00 0.00 57.07 57.21 2hyx s TYR 489 Cb 0.04 -2.54 -0.15 0.00 0.38 0.00 0.00 41.96 39.70 2hyx s TYR 489 CO 0.13 -0.54 1.11 -2.30 -1.52 0.00 0.00 175.55 172.43 2hyx n PRO 490 N -2.49 1.30 -4.96 -3.49 -0.02 -1.25 -4.73 135.00 119.36 2hyx n PRO 490 Ca 0.03 0.46 -0.30 0.00 -2.02 0.00 0.00 63.50 61.67 2hyx n PRO 490 Cb 0.55 -1.91 -0.17 0.00 -0.02 0.00 0.00 33.50 31.96 2hyx n PRO 490 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2hyx s ILE 491 N -0.56 1.75 -0.28 4.25 1.01 0.29 -0.78 121.20 126.88 2hyx s ILE 491 Ca 0.66 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 2hyx s ILE 491 Cb -0.77 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.17 2hyx s ILE 491 CO 0.55 0.49 0.05 0.00 0.00 0.00 0.00 174.94 176.03 2hyx s ALA 492 N 0.50 3.00 -0.47 9.38 0.00 -0.19 -0.90 121.76 133.08 2hyx s ALA 492 Ca -0.16 -1.42 -0.29 0.00 0.00 0.00 0.00 51.96 50.08 2hyx s ALA 492 Cb -0.17 -2.05 0.03 0.00 0.00 0.00 0.00 23.12 20.93 2hyx s ALA 492 CO 0.06 -0.86 1.19 -0.51 0.00 0.00 0.00 175.76 175.65 2hyx s LEU 493 N 1.47 3.62 -0.87 0.00 1.02 0.25 -0.32 118.68 123.85 2hyx s LEU 493 Ca 0.03 0.52 -0.02 0.00 0.02 0.00 0.00 54.13 54.68 2hyx s LEU 493 Cb -0.17 -3.54 0.33 0.00 0.02 0.00 0.00 46.19 42.83 2hyx s LEU 493 CO 0.01 -1.30 2.03 -0.67 0.02 0.00 0.00 176.35 176.44 2hyx n ASP 494 N 8.06 7.47 0.24 2.29 4.64 -0.35 -1.04 116.55 137.85 2hyx n ASP 494 Ca 0.13 -3.78 0.18 0.00 -1.38 0.00 0.00 54.79 49.94 2hyx n ASP 494 Cb 0.49 -1.10 0.86 0.00 -1.04 0.00 0.00 41.12 40.32 2hyx n ASP 494 CO 0.00 0.00 0.00 0.78 -0.82 0.00 0.00 177.20 177.16 2hyx h ASN 495 N 3.24 0.00 -0.30 1.67 2.35 -1.83 -0.90 115.58 119.81 2hyx h ASN 495 Ca 0.56 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.31 2hyx h ASN 495 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2hyx h ASN 495 CO 1.37 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 177.74 2hyx n ASN 496 N -3.40 3.79 -1.05 5.81 3.02 -1.26 -4.93 115.26 117.23 2hyx n ASN 496 Ca 0.01 -2.78 -0.11 0.00 -0.03 0.00 0.00 54.58 51.67 2hyx n ASN 496 Cb 0.38 -0.49 -0.05 0.00 -0.61 0.00 0.00 39.78 39.02 2hyx n ASN 496 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2hyx n TYR 497 N -0.20 -0.23 -0.27 3.10 4.02 -0.34 -4.84 117.16 118.39 2hyx n TYR 497 Ca 0.20 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 58.02 2hyx n TYR 497 Cb 0.81 -2.42 0.06 0.00 -0.02 0.00 0.00 39.34 37.77 2hyx n TYR 497 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2hyx h ALA 498 N 0.46 1.01 0.04 -0.72 0.00 -1.80 0.29 119.26 118.53 2hyx h ALA 498 Ca -0.22 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 2hyx h ALA 498 Cb 0.88 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 18.39 2hyx h ALA 498 CO 0.32 0.67 -0.71 1.15 0.00 0.00 0.00 179.25 180.69 2hyx h THR 499 N 1.13 1.43 -0.60 0.00 2.02 -1.83 -1.16 112.91 113.89 2hyx h THR 499 Ca 0.25 -2.21 0.10 0.00 0.77 0.00 0.00 66.41 65.32 2hyx h THR 499 Cb 0.29 2.72 -0.08 0.00 -1.74 0.00 0.00 68.15 69.34 2hyx h THR 499 CO -0.01 0.64 0.20 -0.25 0.37 0.00 0.00 175.52 176.47 2hyx h TRP 500 N -0.11 0.33 -0.41 3.16 2.91 -1.88 0.63 115.95 120.57 2hyx h TRP 500 Ca -0.10 0.03 -0.13 0.00 1.13 0.00 0.00 58.89 59.82 2hyx h TRP 500 Cb 1.44 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 30.02 2hyx h TRP 500 CO 0.15 0.05 -0.26 1.15 -1.03 0.00 0.00 178.44 178.51 2hyx h THR 501 N 0.36 1.28 -0.01 2.65 2.02 -0.95 -1.89 112.91 116.36 2hyx h THR 501 Ca 0.31 -1.42 -0.05 0.00 0.77 0.00 0.00 66.41 66.02 2hyx h THR 501 Cb 0.41 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2hyx h THR 501 CO -0.34 0.48 -0.25 -1.13 0.37 0.00 0.00 175.52 174.65 2hyx h ASN 502 N 0.73 0.02 -0.03 4.18 -1.24 -0.44 -1.05 115.58 117.75 2hyx h ASN 502 Ca 0.09 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 2hyx h ASN 502 Cb 0.83 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.88 2hyx h ASN 502 CO 0.07 0.27 0.00 -1.22 -1.29 0.00 0.00 177.43 175.26 2hyx n TYR 503 N -4.23 0.02 -2.74 0.67 4.02 0.14 -4.63 117.16 110.40 2hyx n TYR 503 Ca -0.02 -0.01 -0.17 0.00 -0.01 0.00 0.00 57.90 57.69 2hyx n TYR 503 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 2hyx n TYR 503 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2hyx n ARG 504 N 0.00 -2.83 -1.37 -0.72 1.74 -0.40 -4.93 116.66 108.15 2hyx n ARG 504 Ca 0.19 0.66 -0.30 0.00 -0.77 0.00 0.00 57.85 57.64 2hyx n ARG 504 Cb 0.31 -5.33 0.11 0.00 -1.02 0.00 0.00 32.46 26.53 2hyx n ARG 504 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2hyx s ASN 505 N -2.29 4.06 0.00 0.55 2.47 -0.77 -0.39 114.94 118.57 2hyx s ASN 505 Ca 0.14 1.45 0.00 0.00 0.42 0.00 0.00 52.86 54.87 2hyx s ASN 505 Cb -0.07 -2.16 0.00 0.00 -1.45 0.00 0.00 41.25 37.57 2hyx s ASN 505 CO 0.17 -2.26 0.00 -1.14 -3.72 0.00 0.00 177.10 170.15 2hyx n ARG 506 N -3.63 1.38 -4.15 0.43 0.63 -1.26 -3.95 116.66 106.11 2hyx n ARG 506 Ca 0.07 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.90 2hyx n ARG 506 Cb 0.55 -0.12 -0.10 0.00 0.45 0.00 0.00 32.46 33.25 2hyx n ARG 506 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2hyx s TYR 507 N 0.00 0.79 -0.18 -0.14 1.51 -1.26 -5.07 117.35 113.01 2hyx s TYR 507 Ca 0.00 -0.92 -0.01 0.00 -1.01 0.00 0.00 57.07 55.13 2hyx s TYR 507 Cb 0.00 -0.48 0.00 0.00 -0.11 0.00 0.00 41.96 41.37 2hyx s TYR 507 CO 0.00 -0.19 -0.13 -1.58 -1.11 0.00 0.00 175.55 172.53 2hyx s TRP 508 N -3.54 2.83 0.72 2.71 0.51 -1.26 -3.59 118.94 117.32 2hyx s TRP 508 Ca 0.09 -1.13 -0.04 0.00 -2.12 0.00 0.00 56.10 52.90 2hyx s TRP 508 Cb 0.05 -1.96 0.10 0.00 -0.81 0.00 0.00 33.47 30.85 2hyx s TRP 508 CO -0.06 -0.56 1.00 -1.25 -0.51 0.00 0.00 176.95 175.58 2hyx s PRO 509 N 1.09 1.85 -0.15 4.98 0.04 -1.26 -4.76 135.00 136.79 2hyx s PRO 509 Ca 0.00 -0.70 -0.22 0.00 0.04 0.00 0.00 61.00 60.12 2hyx s PRO 509 Cb -0.14 -2.25 0.06 0.00 0.04 0.00 0.00 34.50 32.20 2hyx s PRO 509 CO -0.04 -1.38 0.57 0.00 0.04 0.00 0.00 177.00 176.19 2hyx s ALA 510 N -3.20 -1.44 0.01 8.56 0.00 -1.20 -0.79 121.76 123.69 2hyx s ALA 510 Ca 0.64 1.40 0.02 0.00 0.00 0.00 0.00 51.96 54.01 2hyx s ALA 510 Cb -0.08 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 2hyx s ALA 510 CO 0.44 -0.30 -0.06 -1.21 0.00 0.00 0.00 175.76 174.64 2hyx s GLU 511 N -0.27 0.46 -0.11 0.00 2.02 -0.11 -0.54 118.70 120.15 2hyx s GLU 511 Ca -0.04 -0.33 0.01 0.00 0.02 0.00 0.00 54.97 54.63 2hyx s GLU 511 Cb -0.03 -0.40 0.02 0.00 0.10 0.00 0.00 34.13 33.82 2hyx s GLU 511 CO 0.04 0.10 -0.12 0.71 0.02 0.00 0.00 175.26 176.01 2hyx s TYR 512 N -0.42 1.75 -0.26 1.61 1.51 -0.36 -0.74 117.35 120.44 2hyx s TYR 512 Ca -0.01 -0.86 -0.08 0.00 -1.01 0.00 0.00 57.07 55.11 2hyx s TYR 512 Cb -0.04 -1.33 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 2hyx s TYR 512 CO -0.00 -0.50 0.11 -1.17 -1.11 0.00 0.00 175.55 172.88 2hyx s LEU 513 N 1.31 3.64 -0.14 -1.29 2.96 0.40 -0.57 118.68 124.99 2hyx s LEU 513 Ca -0.01 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.74 2hyx s LEU 513 Cb -0.14 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 2hyx s LEU 513 CO -0.05 -0.03 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.27 2hyx s ILE 514 N 1.60 3.77 0.93 6.68 1.01 0.11 -0.63 121.20 134.68 2hyx s ILE 514 Ca 0.06 -0.41 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 2hyx s ILE 514 Cb -0.15 -2.63 0.18 0.00 0.01 0.00 0.00 42.46 39.86 2hyx s ILE 514 CO 0.06 0.51 1.28 1.51 0.00 0.00 0.00 174.94 178.31 2hyx s ASP 515 N 0.18 3.39 0.67 3.58 3.84 -0.20 -0.37 116.67 127.75 2hyx s ASP 515 Ca -0.03 0.32 0.41 0.00 -0.00 0.00 0.00 52.55 53.25 2hyx s ASP 515 Cb -0.14 -0.45 2.24 0.00 -1.38 0.00 0.00 42.92 43.19 2hyx s ASP 515 CO 0.03 -2.56 2.27 0.00 -0.00 0.00 0.00 175.17 174.91 2hyx h ALA 516 N -1.50 1.10 -0.01 2.11 0.00 -1.86 0.41 119.26 119.51 2hyx h ALA 516 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2hyx h ALA 516 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2hyx h ALA 516 CO 0.43 -0.08 -0.28 0.25 0.00 0.00 0.00 179.25 179.56 2hyx n THR 517 N -3.07 0.00 -0.38 0.00 -2.24 -1.26 -0.52 114.28 106.81 2hyx n THR 517 Ca -0.03 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2hyx n THR 517 Cb 0.15 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 2hyx n THR 517 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hyx n GLY 518 N 1.36 0.79 3.79 3.38 0.00 0.13 -5.00 105.19 109.64 2hyx n GLY 518 Ca 0.11 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 2hyx n GLY 518 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hyx s THR 519 N -2.00 5.40 0.11 2.61 2.01 -1.26 -0.84 115.64 121.68 2hyx s THR 519 Ca 0.00 0.31 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 2hyx s THR 519 Cb 0.00 -3.49 -0.07 0.00 0.01 0.00 0.00 72.50 68.95 2hyx s THR 519 CO 0.00 0.50 1.23 -0.69 -0.69 0.00 0.00 174.62 174.98 2hyx s VAL 520 N -0.21 3.74 0.00 3.82 1.01 -0.07 -1.04 120.40 127.65 2hyx s VAL 520 Ca 0.13 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.43 2hyx s VAL 520 Cb -0.12 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2hyx s VAL 520 CO 0.02 0.14 0.21 0.54 0.00 0.00 0.00 175.10 176.01 2hyx n ARG 521 N 3.46 2.13 -3.64 2.72 5.12 0.20 -1.54 116.66 125.12 2hyx n ARG 521 Ca 0.08 -0.21 -0.09 0.00 -1.93 0.00 0.00 57.85 55.70 2hyx n ARG 521 Cb 0.45 -0.66 -0.07 0.00 -1.16 0.00 0.00 32.46 31.02 2hyx n ARG 521 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2hyx s HIS 522 N -0.37 -0.79 -0.04 -1.55 2.46 -1.22 -0.90 115.29 112.89 2hyx s HIS 522 Ca 0.00 1.73 0.00 0.00 0.47 0.00 0.00 55.06 57.26 2hyx s HIS 522 Cb 0.00 0.43 0.03 0.00 -0.13 0.00 0.00 32.58 32.90 2hyx s HIS 522 CO 0.00 -0.39 -0.01 0.42 -2.47 0.00 0.00 174.74 172.29 2hyx s ILE 523 N 0.94 0.35 -0.12 0.89 1.01 -1.26 -0.45 121.20 122.56 2hyx s ILE 523 Ca -0.04 0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 2hyx s ILE 523 Cb -0.05 -0.44 0.03 0.00 0.01 0.00 0.00 42.46 42.02 2hyx s ILE 523 CO -0.10 0.20 -0.03 -0.75 0.00 0.00 0.00 174.94 174.26 2hyx s LYS 524 N 1.23 1.04 -0.10 2.79 2.20 0.08 0.64 119.74 127.61 2hyx s LYS 524 Ca -0.07 -0.19 -0.12 0.00 -0.36 0.00 0.00 55.97 55.23 2hyx s LYS 524 Cb -0.13 -1.52 -0.05 0.00 -1.51 0.00 0.00 37.83 34.62 2hyx s LYS 524 CO -0.02 -0.37 0.28 -0.06 -0.36 0.00 0.00 175.35 174.83 2hyx s PHE 525 N 1.81 3.57 0.00 4.03 0.08 -1.26 -0.93 117.98 125.28 2hyx s PHE 525 Ca 0.03 0.69 0.00 0.00 0.12 0.00 0.00 56.93 57.77 2hyx s PHE 525 Cb -0.14 -2.22 0.00 0.00 -0.57 0.00 0.00 43.02 40.10 2hyx s PHE 525 CO -0.07 0.49 0.00 0.41 -0.10 0.00 0.00 175.22 175.95 2hyx n GLY 526 N 2.57 -0.19 3.72 4.36 0.00 0.03 -4.97 105.19 110.71 2hyx n GLY 526 Ca -0.15 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 2hyx n GLY 526 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hyx s GLU 527 N -2.48 4.61 0.00 1.61 2.12 -1.26 -4.70 118.70 118.60 2hyx s GLU 527 Ca 0.00 1.39 0.00 0.00 0.36 0.00 0.00 54.97 56.72 2hyx s GLU 527 Cb 0.00 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.97 2hyx s GLU 527 CO 0.00 0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 2hyx n GLY 528 N 2.58 1.27 3.75 -1.50 0.00 -1.26 -5.05 105.19 104.99 2hyx n GLY 528 Ca 0.04 -2.18 -0.23 0.00 0.00 0.00 0.00 46.02 43.65 2hyx n GLY 528 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hyx n ASP 529 N 0.00 -1.44 -0.26 1.61 8.00 -1.26 -4.92 116.55 118.28 2hyx n ASP 529 Ca 0.00 -0.84 -0.06 0.00 0.71 0.00 0.00 54.79 54.61 2hyx n ASP 529 Cb 0.00 -3.92 0.08 0.00 -0.02 0.00 0.00 41.12 37.26 2hyx n ASP 529 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2hyx h TYR 530 N -1.89 1.17 -0.50 1.24 -1.99 -1.99 -3.01 116.97 109.99 2hyx h TYR 530 Ca -0.61 -0.10 -0.05 0.00 2.00 0.00 0.00 58.73 59.97 2hyx h TYR 530 Cb 1.36 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 39.73 2hyx h TYR 530 CO 0.48 0.91 0.10 -0.91 -0.00 0.00 0.00 178.16 178.73 2hyx h ASN 531 N 1.10 0.72 -0.38 3.88 4.21 -1.99 -0.36 115.58 122.76 2hyx h ASN 531 Ca 0.24 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.63 2hyx h ASN 531 Cb 0.27 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 37.26 2hyx h ASN 531 CO -0.01 0.72 0.25 0.58 -1.29 0.00 0.00 177.43 177.67 2hyx h VAL 532 N 0.74 1.10 -0.18 2.81 2.07 -1.92 -0.98 116.25 119.88 2hyx h VAL 532 Ca 0.16 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 2hyx h VAL 532 Cb 0.31 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2hyx h VAL 532 CO 0.00 0.10 -0.15 0.74 0.02 0.00 0.00 177.57 178.29 2hyx h THR 533 N 0.51 1.33 -0.39 2.57 2.02 -1.46 -3.00 112.91 114.49 2hyx h THR 533 Ca 0.14 -1.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.02 2hyx h THR 533 Cb -0.05 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 2hyx h THR 533 CO -0.03 0.38 0.14 -0.08 0.37 0.00 0.00 175.52 176.31 2hyx h GLU 534 N 0.08 0.55 -0.85 6.66 4.81 -0.97 0.10 114.58 124.96 2hyx h GLU 534 Ca 0.03 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2hyx h GLU 534 Cb 0.67 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 2hyx h GLU 534 CO 0.04 0.47 0.46 1.15 -0.73 0.00 0.00 179.01 180.40 2hyx h THR 535 N 0.55 1.25 -0.00 0.32 2.02 -1.14 -0.75 112.91 115.16 2hyx h THR 535 Ca 0.13 -0.63 -0.21 0.00 0.77 0.00 0.00 66.41 66.48 2hyx h THR 535 Cb 0.13 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 2hyx h THR 535 CO -0.01 0.28 -0.89 -0.07 0.37 0.00 0.00 175.52 175.20 2hyx h LEU 536 N 1.19 0.37 -0.59 2.58 3.38 -1.14 -2.20 115.31 118.91 2hyx h LEU 536 Ca 0.30 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2hyx h LEU 536 Cb 0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2hyx h LEU 536 CO -0.05 1.09 0.37 0.58 0.09 0.00 0.00 178.44 180.52 2hyx h VAL 537 N 0.16 1.16 -0.74 1.22 2.07 -0.60 -0.39 116.25 119.14 2hyx h VAL 537 Ca -0.06 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 2hyx h VAL 537 Cb 1.52 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 2hyx h VAL 537 CO 0.14 0.16 0.22 0.03 0.02 0.00 0.00 177.57 178.14 2hyx h ARG 538 N 0.79 1.16 -0.46 1.57 3.08 -1.08 -0.91 114.38 118.53 2hyx h ARG 538 Ca 0.21 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2hyx h ARG 538 Cb -0.06 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 2hyx h ARG 538 CO -0.04 1.00 0.22 1.96 -1.07 0.00 0.00 179.97 182.03 2hyx h GLN 539 N 1.11 0.66 0.00 0.04 4.20 -0.89 -2.27 115.11 117.97 2hyx h GLN 539 Ca 0.24 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.76 2hyx h GLN 539 Cb 0.33 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2hyx h GLN 539 CO -0.00 0.57 -0.41 -0.07 -0.67 0.00 0.00 178.83 178.24 2hyx h LEU 540 N 0.60 0.00 -0.78 1.46 3.38 -0.79 -0.89 115.31 118.29 2hyx h LEU 540 Ca 0.16 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 2hyx h LEU 540 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2hyx h LEU 540 CO -0.02 0.41 -0.25 -0.07 0.09 0.00 0.00 178.44 178.60 2hyx h LEU 541 N 0.00 0.66 -0.43 1.67 3.38 -0.88 -0.22 115.31 119.48 2hyx h LEU 541 Ca -0.00 -0.24 -0.17 0.00 0.09 0.00 0.00 57.88 57.56 2hyx h LEU 541 Cb 0.76 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2hyx h LEU 541 CO 0.05 0.89 -0.55 -1.13 0.09 0.00 0.00 178.44 177.79 2hyx h ASN 542 N 0.56 0.76 -0.56 -0.43 -1.24 -0.91 -0.63 115.58 113.13 2hyx h ASN 542 Ca 0.08 -0.41 -0.06 0.00 0.71 0.00 0.00 56.30 56.62 2hyx h ASN 542 Cb 0.73 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.53 2hyx h ASN 542 CO 0.06 1.15 0.13 0.44 -1.29 0.00 0.00 177.43 177.92 2hyx h ASP 543 N 0.52 0.88 0.45 1.15 3.32 -0.82 -0.57 116.42 121.35 2hyx h ASP 543 Ca 0.01 -0.18 -0.18 0.00 0.02 0.00 0.00 57.03 56.70 2hyx h ASP 543 Cb 1.12 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 2hyx h ASP 543 CO 0.11 0.87 -0.76 0.00 -1.72 0.00 0.00 179.24 177.74 2hyx h ALA 544 N 1.24 0.64 -2.43 3.45 0.00 -0.90 -3.38 119.26 117.87 2hyx h ALA 544 Ca 0.19 -0.64 -0.59 0.00 0.00 0.00 0.00 54.91 53.87 2hyx h ALA 544 Cb 0.35 -0.07 -0.38 0.00 0.00 0.00 0.00 17.79 17.68 2hyx h ALA 544 CO 0.00 0.82 -0.94 0.21 0.00 0.00 0.00 179.25 179.35 2hyx s LYS 545 N -3.46 0.98 0.11 0.00 2.20 -0.25 -5.05 119.74 114.27 2hyx s LYS 545 Ca -0.04 -2.13 -0.36 0.00 -0.36 0.00 0.00 55.97 53.09 2hyx s LYS 545 Cb 0.11 -1.55 -0.16 0.00 -1.51 0.00 0.00 37.83 34.72 2hyx s LYS 545 CO 0.82 -1.37 1.31 -2.30 -0.36 0.00 0.00 175.35 173.46 2hyx n PRO 546 N 2.89 1.21 -0.20 4.03 -0.02 -0.25 -1.15 135.00 141.52 2hyx n PRO 546 Ca 0.28 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2hyx n PRO 546 Cb 0.46 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2hyx n PRO 546 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hyx n GLY 547 N 2.44 1.11 3.64 -1.23 0.00 -1.26 -5.03 105.19 104.87 2hyx n GLY 547 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 2hyx n GLY 547 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2hyx n VAL 548 N -2.00 1.60 -3.85 1.61 3.14 -0.30 -4.96 118.33 113.57 2hyx n VAL 548 Ca 0.00 -0.40 -0.35 0.00 -2.96 0.00 0.00 64.34 60.63 2hyx n VAL 548 Cb 0.00 -1.27 -0.09 0.00 -1.06 0.00 0.00 33.84 31.42 2hyx n VAL 548 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2hyx s LYS 549 N -1.22 4.06 0.17 1.45 1.02 -1.26 -4.96 119.74 118.99 2hyx s LYS 549 Ca 0.62 -0.29 0.10 0.00 0.02 0.00 0.00 55.97 56.41 2hyx s LYS 549 Cb -0.67 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.27 2hyx s LYS 549 CO 0.57 0.24 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.52 2hyx s LEU 550 N 0.49 2.42 0.77 3.17 1.43 -1.26 -5.05 118.68 120.65 2hyx s LEU 550 Ca 0.06 -0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 52.20 2hyx s LEU 550 Cb -0.12 -0.98 0.05 0.00 0.03 0.00 0.00 46.19 45.17 2hyx s LEU 550 CO 0.00 0.04 1.08 -2.16 0.23 0.00 0.00 176.35 175.55 2hyx s PRO 551 N -2.62 2.30 0.80 1.29 0.04 -1.26 -4.98 135.00 130.56 2hyx s PRO 551 Ca 0.17 0.79 -0.14 0.00 0.04 0.00 0.00 61.00 61.85 2hyx s PRO 551 Cb -0.07 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.60 2hyx s PRO 551 CO 0.08 -1.51 1.11 1.04 0.04 0.00 0.00 177.00 177.76 2hyx n GLN 552 N -3.38 0.24 -1.54 4.56 1.13 -1.26 -4.84 117.38 112.30 2hyx n GLN 552 Ca 0.07 0.15 -0.53 0.00 -1.94 0.00 0.00 57.00 54.76 2hyx n GLN 552 Cb 0.55 -2.37 -0.06 0.00 0.11 0.00 0.00 30.24 28.48 2hyx n GLN 552 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 2hyx n PRO 553 N -2.88 0.69 0.26 -1.09 -0.02 -1.26 -4.83 135.00 125.86 2hyx n PRO 553 Ca 0.13 0.25 0.17 0.00 -2.02 0.00 0.00 63.50 62.03 2hyx n PRO 553 Cb 0.50 -1.73 0.92 0.00 -0.02 0.00 0.00 33.50 33.17 2hyx n PRO 553 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2hyx h SER 554 N 3.30 0.00 0.57 2.55 0.87 -1.93 -0.97 113.55 117.94 2hyx h SER 554 Ca -0.45 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2hyx h SER 554 Cb 1.38 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.34 2hyx h SER 554 CO 0.69 0.00 -0.01 0.77 -0.53 0.00 0.00 176.83 177.75 2hyx h SER 555 N 0.00 0.00 1.31 6.23 4.64 -1.88 -0.80 113.55 123.05 2hyx h SER 555 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2hyx h SER 555 Cb 0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2hyx h SER 555 CO 0.00 0.01 -0.08 0.71 -0.87 0.00 0.00 176.83 176.60 2hyx h THR 556 N 0.00 0.17 0.00 2.95 1.35 -1.52 -3.24 112.91 112.62 2hyx h THR 556 Ca -0.00 -0.89 -0.02 0.00 -0.55 0.00 0.00 66.41 64.95 2hyx h THR 556 Cb 0.30 1.76 -0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2hyx h THR 556 CO 0.00 0.08 -1.62 0.35 -0.25 0.00 0.00 175.52 174.08 2hyx n THR 557 N -3.17 0.08 -3.87 6.82 -2.24 -0.64 -4.95 114.28 106.31 2hyx n THR 557 Ca 0.02 -0.32 -0.36 0.00 -2.27 0.00 0.00 64.05 61.12 2hyx n THR 557 Cb 0.42 0.12 -0.14 0.00 -2.10 0.00 0.00 70.33 68.63 2hyx n THR 557 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2hyx s THR 558 N -2.85 3.44 0.40 4.28 2.01 -0.40 -5.10 115.64 117.42 2hyx s THR 558 Ca -0.05 -0.69 -0.25 0.00 0.31 0.00 0.00 61.69 61.01 2hyx s THR 558 Cb 0.08 -2.68 -0.08 0.00 0.01 0.00 0.00 72.50 69.82 2hyx s THR 558 CO 0.54 0.25 1.14 -2.16 -0.69 0.00 0.00 174.62 173.70 2hyx s PRO 559 N 1.45 4.08 -0.58 4.92 0.04 -1.26 -4.66 135.00 138.99 2hyx s PRO 559 Ca 0.03 1.76 -0.22 0.00 0.04 0.00 0.00 61.00 62.61 2hyx s PRO 559 Cb -0.16 -2.65 0.06 0.00 0.04 0.00 0.00 34.50 31.79 2hyx s PRO 559 CO -0.02 -0.27 0.87 0.34 0.04 0.00 0.00 177.00 177.96 2hyx s ASP 560 N -1.24 6.25 -0.31 6.66 -1.08 -1.26 -4.89 116.67 120.81 2hyx s ASP 560 Ca 0.57 -0.75 0.11 0.00 -0.52 0.00 0.00 52.55 51.96 2hyx s ASP 560 Cb -0.29 -2.39 0.71 0.00 -1.46 0.00 0.00 42.92 39.49 2hyx s ASP 560 CO 0.36 -1.22 1.75 0.18 0.52 0.00 0.00 175.17 176.76 2hyx n LEU 561 N 7.19 5.73 -4.70 -1.34 4.77 -1.26 -4.99 117.00 122.40 2hyx n LEU 561 Ca -0.03 -3.25 -0.42 0.00 -0.03 0.00 0.00 56.01 52.29 2hyx n LEU 561 Cb 0.46 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 2hyx n LEU 561 CO 0.61 0.83 1.31 -0.89 -1.33 0.00 0.00 177.39 177.93 2hyx s THR 562 N -3.00 2.72 0.76 -5.08 2.01 -1.26 -4.98 115.64 106.81 2hyx s THR 562 Ca 0.53 0.37 -0.11 0.00 0.31 0.00 0.00 61.69 62.79 2hyx s THR 562 Cb 0.43 -3.24 0.05 0.00 0.01 0.00 0.00 72.50 69.75 2hyx s THR 562 CO 0.12 0.01 1.08 -2.84 -0.69 0.00 0.00 174.62 172.30 2hyx s PRO 563 N 1.95 2.38 0.34 4.92 0.02 -1.26 -4.97 135.00 138.39 2hyx s PRO 563 Ca 0.73 0.95 -0.29 0.00 0.02 0.00 0.00 61.00 62.42 2hyx s PRO 563 Cb -0.43 -1.93 -0.11 0.00 0.02 0.00 0.00 34.50 32.05 2hyx s PRO 563 CO 0.32 -1.49 1.54 0.50 -0.33 0.00 0.00 177.00 177.54 2hyx s ARG 564 N -5.01 4.11 -1.16 5.54 3.52 -1.26 -4.82 118.95 119.87 2hyx s ARG 564 Ca 0.60 2.59 -0.08 0.00 -0.13 0.00 0.00 55.73 58.71 2hyx s ARG 564 Cb -0.15 -2.99 -0.10 0.00 -1.56 0.00 0.00 34.95 30.14 2hyx s ARG 564 CO 0.55 -0.58 2.76 0.00 -0.81 0.00 0.00 175.30 177.22 2hyx n ALA 565 N 1.18 6.44 -2.48 6.12 0.00 -1.26 -4.01 120.51 126.51 2hyx n ALA 565 Ca 0.04 -2.77 0.00 0.00 0.00 0.00 0.00 53.44 50.72 2hyx n ALA 565 Cb 0.38 -3.09 0.02 0.00 0.00 0.00 0.00 19.45 16.76 2hyx n ALA 565 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hyx n ALA 566 N 3.59 2.77 -2.00 0.00 0.00 -1.26 -5.12 120.51 118.50 2hyx n ALA 566 Ca 0.62 -1.93 -0.27 0.00 0.00 0.00 0.00 53.44 51.86 2hyx n ALA 566 Cb 0.29 -0.69 0.05 0.00 0.00 0.00 0.00 19.45 19.10 2hyx n ALA 566 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2hyx s LEU 567 N -1.21 3.02 0.36 0.00 1.43 -1.26 -4.89 118.68 116.13 2hyx s LEU 567 Ca 0.23 0.71 -0.28 0.00 -1.03 0.00 0.00 54.13 53.75 2hyx s LEU 567 Cb 0.29 -3.46 -0.12 0.00 0.03 0.00 0.00 46.19 42.94 2hyx s LEU 567 CO -0.10 -1.31 1.43 0.41 0.23 0.00 0.00 176.35 177.01 2hyx n THR 568 N -2.79 1.89 -1.40 5.49 -1.04 -0.87 -4.92 114.28 110.63 2hyx n THR 568 Ca 0.06 -0.47 -0.34 0.00 -2.04 0.00 0.00 64.05 61.26 2hyx n THR 568 Cb 0.59 -1.83 0.09 0.00 -1.82 0.00 0.00 70.33 67.36 2hyx n THR 568 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2hyx s PRO 569 N -1.85 2.14 -0.18 -2.82 0.02 -1.26 -4.76 135.00 126.29 2hyx s PRO 569 Ca 0.55 1.65 -0.39 0.00 0.02 0.00 0.00 61.00 62.84 2hyx s PRO 569 Cb -0.51 -1.84 -0.16 0.00 0.02 0.00 0.00 34.50 32.01 2hyx s PRO 569 CO 0.62 -1.81 1.66 -1.91 -0.33 0.00 0.00 177.00 175.23 2hyx n GLU 570 N -2.86 1.24 -3.15 5.54 2.13 -1.26 -4.86 120.64 117.42 2hyx n GLU 570 Ca 0.13 0.45 -0.45 0.00 0.66 0.00 0.00 57.16 57.95 2hyx n GLU 570 Cb 0.51 -2.14 -0.04 0.00 0.27 0.00 0.00 31.44 30.04 2hyx n GLU 570 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2hyx s THR 571 N 2.86 4.99 0.24 6.31 2.01 -0.53 -4.95 115.64 126.57 2hyx s THR 571 Ca 0.95 -1.38 -0.24 0.00 0.31 0.00 0.00 61.69 61.33 2hyx s THR 571 Cb -1.01 -4.50 -0.09 0.00 0.01 0.00 0.00 72.50 66.91 2hyx s THR 571 CO 0.60 -1.13 0.82 -0.31 -0.69 0.00 0.00 174.62 173.91 2hyx s TYR 572 N 2.13 3.76 -0.74 4.92 1.51 -1.26 -1.44 117.35 126.22 2hyx s TYR 572 Ca 0.14 1.61 0.16 0.00 -1.01 0.00 0.00 57.07 57.97 2hyx s TYR 572 Cb -0.20 -2.78 -0.18 0.00 -0.11 0.00 0.00 41.96 38.69 2hyx s TYR 572 CO 0.01 0.36 0.68 1.19 -1.11 0.00 0.00 175.55 176.68 2hyx n PHE 573 N 0.97 0.00 -2.01 2.71 3.01 -0.89 -4.34 117.46 116.92 2hyx n PHE 573 Ca -0.02 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.03 2hyx n PHE 573 Cb 0.50 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.93 2hyx n PHE 573 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2hyx s GLY 574 N -2.58 2.35 0.53 1.37 0.00 -1.26 -4.16 107.32 103.57 2hyx s GLY 574 Ca 0.06 1.34 0.27 0.00 0.00 0.00 0.00 44.72 46.38 2hyx s GLY 574 CO 0.67 2.28 1.97 -2.08 0.00 0.00 0.00 173.10 175.93 2hyx h VAL 575 N 3.51 0.69 0.00 1.40 2.07 -1.41 -0.81 116.25 121.70 2hyx h VAL 575 Ca -0.46 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2hyx h VAL 575 Cb 1.22 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2hyx h VAL 575 CO 0.77 0.00 -0.86 0.61 0.02 0.00 0.00 177.57 178.11 2hyx n GLY 576 N -1.66 -1.30 0.00 2.17 0.00 -1.26 -4.37 105.19 98.77 2hyx n GLY 576 Ca 0.12 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 45.84 2hyx n GLY 576 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hyx n LYS 577 N -2.03 4.47 -1.70 1.61 5.02 -0.67 -5.03 118.16 119.82 2hyx n LYS 577 Ca 0.02 -0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.88 2hyx n LYS 577 Cb 0.44 -0.86 -0.03 0.00 -0.02 0.00 0.00 35.03 34.56 2hyx n LYS 577 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2hyx n VAL 578 N -1.17 0.25 0.00 -0.18 3.14 -0.40 -4.75 118.33 115.22 2hyx n VAL 578 Ca 0.01 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 2hyx n VAL 578 Cb 0.12 -1.81 0.00 0.00 -1.06 0.00 0.00 33.84 31.09 2hyx n VAL 578 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2hyx n VAL 579 N 3.33 0.00 -2.36 1.55 0.24 -1.26 -4.87 118.33 114.95 2hyx n VAL 579 Ca 0.15 -0.25 -0.03 0.00 -2.04 0.00 0.00 64.34 62.17 2hyx n VAL 579 Cb 0.33 0.95 0.06 0.00 -1.47 0.00 0.00 33.84 33.72 2hyx n VAL 579 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2hyx n ASN 580 N -0.54 2.21 -4.64 -1.34 6.94 -1.26 -5.02 115.26 111.61 2hyx n ASN 580 Ca 0.00 -2.72 -0.43 0.00 -0.02 0.00 0.00 54.58 51.41 2hyx n ASN 580 Cb 0.00 -0.41 -0.02 0.00 -2.36 0.00 0.00 39.78 36.99 2hyx n ASN 580 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 2hyx s TYR 581 N -2.69 3.03 -0.85 -2.53 5.04 -1.26 -1.68 117.35 116.41 2hyx s TYR 581 Ca 0.36 1.11 0.15 0.00 -2.44 0.00 0.00 57.07 56.25 2hyx s TYR 581 Cb 0.37 -3.75 0.53 0.00 0.35 0.00 0.00 41.96 39.45 2hyx s TYR 581 CO -0.06 -1.01 1.45 0.41 -1.34 0.00 0.00 175.55 175.00 2hyx n GLY 582 N 3.98 3.08 0.06 8.97 0.00 0.35 -4.50 105.19 117.13 2hyx n GLY 582 Ca 0.13 -0.74 0.11 0.00 0.00 0.00 0.00 46.02 45.52 2hyx n GLY 582 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hyx n GLY 583 N 0.52 -1.35 0.73 -0.02 0.00 -1.24 -4.70 105.19 99.13 2hyx n GLY 583 Ca 0.20 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.26 2hyx n GLY 583 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hyx n GLY 584 N 0.62 -3.14 2.62 -0.02 0.00 -1.26 -4.56 105.19 99.46 2hyx n GLY 584 Ca 0.04 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2hyx n GLY 584 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hyx n GLY 585 N -2.81 -1.80 3.88 -0.02 0.00 -1.26 -4.95 105.19 98.22 2hyx n GLY 585 Ca -0.03 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 2hyx n GLY 585 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hyx s ALA 586 N -1.63 3.38 -0.41 4.61 0.00 -1.26 -5.03 121.76 121.42 2hyx s ALA 586 Ca 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 51.78 2hyx s ALA 586 Cb 0.00 -2.66 0.20 0.00 0.00 0.00 0.00 23.12 20.66 2hyx s ALA 586 CO 0.00 0.03 0.44 0.98 0.00 0.00 0.00 175.76 177.21 2hyx n TYR 587 N -1.23 -1.03 -4.42 0.00 4.19 -1.26 -5.12 117.16 108.29 2hyx n TYR 587 Ca 0.02 -3.21 -0.25 0.00 3.31 0.00 0.00 57.90 57.77 2hyx n TYR 587 Cb 0.54 0.20 -0.09 0.00 0.49 0.00 0.00 39.34 40.47 2hyx n TYR 587 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 2hyx s ASP 588 N -0.33 3.99 0.38 2.98 1.01 -1.26 -4.88 116.67 118.56 2hyx s ASP 588 Ca 0.33 -1.08 -0.28 0.00 0.71 0.00 0.00 52.55 52.23 2hyx s ASP 588 Cb 0.08 -0.45 -0.11 0.00 1.01 0.00 0.00 42.92 43.45 2hyx s ASP 588 CO -0.16 -0.23 1.45 -0.70 0.21 0.00 0.00 175.17 175.74 2hyx s GLU 589 N -3.67 4.09 0.00 8.23 2.12 -1.26 -4.60 118.70 123.60 2hyx s GLU 589 Ca 0.34 2.50 0.00 0.00 0.36 0.00 0.00 54.97 58.17 2hyx s GLU 589 Cb 0.01 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.46 2hyx s GLU 589 CO 0.18 -0.52 0.00 0.41 -0.54 0.00 0.00 175.26 174.79 2hyx n GLY 590 N 0.52 2.07 3.88 -1.50 0.00 0.46 -4.93 105.19 105.69 2hyx n GLY 590 Ca 0.01 -2.09 -0.35 0.00 0.00 0.00 0.00 46.02 43.59 2hyx n GLY 590 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hyx s SER 591 N 0.00 6.46 0.21 1.61 0.15 -1.26 -0.89 113.70 119.97 2hyx s SER 591 Ca 0.00 0.51 -0.23 0.00 0.70 0.00 0.00 55.95 56.93 2hyx s SER 591 Cb 0.00 -2.07 0.05 0.00 -1.71 0.00 0.00 66.02 62.28 2hyx s SER 591 CO 0.00 0.30 0.81 0.00 1.20 0.00 0.00 173.24 175.55 2hyx s ALA 592 N -1.22 -1.45 -0.20 5.45 0.00 -0.17 -4.99 121.76 119.17 2hyx s ALA 592 Ca 0.24 -0.00 -0.08 0.00 0.00 0.00 0.00 51.96 52.12 2hyx s ALA 592 Cb -0.13 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 2hyx s ALA 592 CO 0.13 -1.00 0.08 0.08 0.00 0.00 0.00 175.76 175.05 2hyx s VAL 593 N -3.62 4.82 0.37 0.00 1.01 -1.26 -1.18 120.40 120.55 2hyx s VAL 593 Ca 0.10 -0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.15 2hyx s VAL 593 Cb -0.04 -3.20 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 2hyx s VAL 593 CO 0.03 0.42 0.04 -0.36 0.00 0.00 0.00 175.10 175.23 2hyx s PHE 594 N 0.68 2.54 0.06 5.22 0.40 0.74 -4.92 117.98 122.70 2hyx s PHE 594 Ca 0.04 -0.52 -0.13 0.00 -0.60 0.00 0.00 56.93 55.72 2hyx s PHE 594 Cb -0.13 -1.64 0.02 0.00 0.51 0.00 0.00 43.02 41.78 2hyx s PHE 594 CO 0.02 0.42 0.30 0.34 0.70 0.00 0.00 175.22 176.99 2hyx s ASP 595 N -3.75 -0.09 0.53 1.36 -1.08 -0.79 0.17 116.67 113.03 2hyx s ASP 595 Ca 0.36 -0.30 -0.20 0.00 -0.52 0.00 0.00 52.55 51.89 2hyx s ASP 595 Cb 0.03 0.37 -0.06 0.00 -1.46 0.00 0.00 42.92 41.80 2hyx s ASP 595 CO 0.19 -0.67 1.14 -0.31 0.52 0.00 0.00 175.17 176.04 2hyx s TYR 596 N -2.98 2.68 0.67 -5.34 4.12 -1.16 -4.58 117.35 110.77 2hyx s TYR 596 Ca -0.02 1.54 -0.10 0.00 0.02 0.00 0.00 57.07 58.51 2hyx s TYR 596 Cb 0.01 -3.32 0.01 0.00 -1.52 0.00 0.00 41.96 37.14 2hyx s TYR 596 CO -0.06 -1.61 1.04 -1.25 0.02 0.00 0.00 175.55 173.69 2hyx s PRO 597 N -3.20 2.86 0.25 -1.71 0.04 -1.26 -4.95 135.00 127.02 2hyx s PRO 597 Ca 0.72 0.32 -0.03 0.00 0.04 0.00 0.00 61.00 62.04 2hyx s PRO 597 Cb -0.25 -2.09 0.45 0.00 0.04 0.00 0.00 34.50 32.65 2hyx s PRO 597 CO 0.28 -0.95 1.77 -1.35 0.04 0.00 0.00 177.00 176.80 2hyx h PRO 598 N -0.52 0.62 -3.81 0.56 0.11 -1.95 -3.39 132.00 123.61 2hyx h PRO 598 Ca -0.45 -0.04 -0.36 0.00 0.11 0.00 0.00 66.00 65.26 2hyx h PRO 598 Cb 1.26 -0.14 -0.34 0.00 0.11 0.00 0.00 31.00 31.89 2hyx h PRO 598 CO 0.63 0.41 -0.75 0.45 -0.21 0.00 0.00 178.00 178.52 2hyx s SER 599 N -5.47 0.60 -0.21 -2.05 0.15 -1.26 -5.13 113.70 100.33 2hyx s SER 599 Ca -0.12 -0.06 -0.08 0.00 0.70 0.00 0.00 55.95 56.39 2hyx s SER 599 Cb 0.20 -0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.18 2hyx s SER 599 CO 0.77 -0.09 0.09 -0.22 1.20 0.00 0.00 173.24 175.00 2hyx s LEU 600 N 1.00 3.87 0.91 3.45 2.96 -1.26 -4.99 118.68 124.62 2hyx s LEU 600 Ca -0.10 0.06 -0.11 0.00 -0.22 0.00 0.00 54.13 53.76 2hyx s LEU 600 Cb -0.14 -2.00 0.14 0.00 0.50 0.00 0.00 46.19 44.69 2hyx s LEU 600 CO -0.01 0.12 1.10 0.00 -1.32 0.00 0.00 176.35 176.24 2hyx s ALA 601 N 0.68 1.41 0.89 5.97 0.00 -1.26 -4.99 121.76 124.46 2hyx s ALA 601 Ca 0.05 0.16 -0.10 0.00 0.00 0.00 0.00 51.96 52.06 2hyx s ALA 601 Cb -0.13 -3.28 0.13 0.00 0.00 0.00 0.00 23.12 19.84 2hyx s ALA 601 CO 0.02 -2.53 1.12 0.00 0.00 0.00 0.00 175.76 174.37 2hyx s ALA 602 N -2.80 1.57 -1.64 0.00 0.00 -1.26 -3.48 121.76 114.16 2hyx s ALA 602 Ca 0.64 0.41 -0.08 0.00 0.00 0.00 0.00 51.96 52.93 2hyx s ALA 602 Cb -0.20 -3.37 0.08 0.00 0.00 0.00 0.00 23.12 19.63 2hyx s ALA 602 CO 0.58 -2.53 0.30 0.09 0.00 0.00 0.00 175.76 174.20 2hyx n ASN 603 N -4.06 -0.39 -4.00 0.00 3.02 -0.82 -4.92 115.26 104.09 2hyx n ASN 603 Ca 0.10 -1.21 -0.09 0.00 -0.03 0.00 0.00 54.58 53.35 2hyx n ASN 603 Cb 0.53 -1.91 -0.08 0.00 -0.61 0.00 0.00 39.78 37.71 2hyx n ASN 603 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2hyx s SER 604 N -3.97 0.14 0.24 6.41 0.01 -0.83 -4.88 113.70 110.83 2hyx s SER 604 Ca 0.30 -0.93 0.07 0.00 1.31 0.00 0.00 55.95 56.70 2hyx s SER 604 Cb -0.17 0.38 -0.05 0.00 0.21 0.00 0.00 66.02 66.38 2hyx s SER 604 CO 0.99 -0.82 -0.10 0.72 0.41 0.00 0.00 173.24 174.44 2hyx s PHE 605 N -3.97 1.84 0.05 2.43 -0.12 -0.68 -1.04 117.98 116.49 2hyx s PHE 605 Ca 0.17 -0.65 -0.02 0.00 -0.05 0.00 0.00 56.93 56.38 2hyx s PHE 605 Cb 0.05 -0.96 -0.03 0.00 -0.63 0.00 0.00 43.02 41.44 2hyx s PHE 605 CO -0.01 0.31 -0.00 0.00 -0.05 0.00 0.00 175.22 175.46 2hyx s ALA 606 N -3.00 0.41 0.18 1.99 0.00 0.13 -0.49 121.76 120.97 2hyx s ALA 606 Ca 0.26 -1.12 0.10 0.00 0.00 0.00 0.00 51.96 51.21 2hyx s ALA 606 Cb 0.02 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 2hyx s ALA 606 CO 0.10 -0.38 -0.22 -0.51 0.00 0.00 0.00 175.76 174.74 2hyx s LEU 607 N -2.87 2.43 -0.05 0.00 1.43 -1.26 -1.24 118.68 117.13 2hyx s LEU 607 Ca 0.06 -0.86 -0.05 0.00 -1.03 0.00 0.00 54.13 52.25 2hyx s LEU 607 Cb 0.07 -1.06 0.01 0.00 0.03 0.00 0.00 46.19 45.24 2hyx s LEU 607 CO -0.10 0.08 0.14 0.00 0.23 0.00 0.00 176.35 176.70 2hyx s ARG 608 N -2.68 0.21 0.36 1.70 1.04 -0.81 -1.88 118.95 116.89 2hyx s ARG 608 Ca 0.19 0.11 0.00 0.00 -1.04 0.00 0.00 55.73 54.99 2hyx s ARG 608 Cb -0.07 0.10 0.00 0.00 -2.04 0.00 0.00 34.95 32.93 2hyx s ARG 608 CO 0.09 -0.03 0.00 0.41 -0.04 0.00 0.00 175.30 175.73 2hyx n GLY 609 N 2.80 -1.80 3.67 3.88 0.00 0.13 -1.69 105.19 112.18 2hyx n GLY 609 Ca -0.14 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 2hyx n GLY 609 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hyx s ARG 610 N 0.00 4.29 0.03 1.61 6.06 -1.26 -0.18 118.95 129.50 2hyx s ARG 610 Ca 0.00 0.88 0.02 0.00 -2.50 0.00 0.00 55.73 54.13 2hyx s ARG 610 Cb 0.00 -3.56 -0.02 0.00 0.06 0.00 0.00 34.95 31.43 2hyx s ARG 610 CO 0.00 -0.25 -0.08 -1.58 -2.50 0.00 0.00 175.30 170.89 2hyx s TRP 611 N 1.90 0.68 -0.27 5.12 0.52 -0.32 -1.05 118.94 125.52 2hyx s TRP 611 Ca 0.35 -0.39 -0.02 0.00 0.02 0.00 0.00 56.10 56.06 2hyx s TRP 611 Cb -0.16 -0.41 0.03 0.00 -1.15 0.00 0.00 33.47 31.77 2hyx s TRP 611 CO 0.13 -0.05 -0.03 0.00 0.02 0.00 0.00 176.95 177.01 2hyx s ALA 612 N -1.03 2.77 -0.03 0.98 0.00 -0.30 -1.00 121.76 123.15 2hyx s ALA 612 Ca -0.06 -1.53 -0.01 0.00 0.00 0.00 0.00 51.96 50.36 2hyx s ALA 612 Cb -0.08 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 2hyx s ALA 612 CO 0.00 -0.94 0.05 -0.51 0.00 0.00 0.00 175.76 174.37 2hyx s LEU 613 N 1.33 3.78 0.00 0.00 1.43 -0.07 -0.56 118.68 124.59 2hyx s LEU 613 Ca -0.01 0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 2hyx s LEU 613 Cb -0.17 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 43.96 2hyx s LEU 613 CO -0.03 0.31 0.26 -0.90 0.23 0.00 0.00 176.35 176.22 2hyx n ASP 614 N 1.53 -0.72 0.01 2.29 5.68 -0.71 -0.40 116.55 124.23 2hyx n ASP 614 Ca -0.15 -1.97 0.08 0.00 -0.50 0.00 0.00 54.79 52.24 2hyx n ASP 614 Cb 0.53 1.33 0.33 0.00 -1.14 0.00 0.00 41.12 42.18 2hyx n ASP 614 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 2hyx n TYR 615 N -0.30 0.08 -0.07 2.11 4.02 -1.26 -1.33 117.16 120.42 2hyx n TYR 615 Ca 0.00 0.03 -0.16 0.00 -0.01 0.00 0.00 57.90 57.77 2hyx n TYR 615 Cb 0.30 -0.55 -0.14 0.00 -0.02 0.00 0.00 39.34 38.93 2hyx n TYR 615 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2hyx n GLN 616 N -1.58 0.69 -2.74 -0.72 1.13 -1.26 -4.37 117.38 108.53 2hyx n GLN 616 Ca 0.03 0.18 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 2hyx n GLN 616 Cb 0.18 -1.62 0.00 0.00 0.11 0.00 0.00 30.24 28.91 2hyx n GLN 616 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2hyx n GLY 617 N 1.95 -0.57 3.21 1.08 0.00 -1.16 -3.99 105.19 105.72 2hyx n GLY 617 Ca -0.34 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 2hyx n GLY 617 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hyx s ALA 618 N -1.00 2.47 -0.20 4.61 0.00 -0.32 -1.74 121.76 125.58 2hyx s ALA 618 Ca 0.00 -1.14 -0.09 0.00 0.00 0.00 0.00 51.96 50.72 2hyx s ALA 618 Cb 0.00 -1.28 -0.05 0.00 0.00 0.00 0.00 23.12 21.79 2hyx s ALA 618 CO 0.00 -0.24 0.11 0.99 0.00 0.00 0.00 175.76 176.62 2hyx s THR 619 N 1.14 5.24 -0.02 0.00 2.01 0.28 -0.67 115.64 123.61 2hyx s THR 619 Ca 0.01 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 2hyx s THR 619 Cb -0.14 -3.39 -0.08 0.00 0.01 0.00 0.00 72.50 68.90 2hyx s THR 619 CO -0.06 0.44 2.02 -0.55 -0.69 0.00 0.00 174.62 175.77 2hyx s SER 620 N 0.43 6.23 -0.31 3.53 0.15 -0.22 -1.15 113.70 122.36 2hyx s SER 620 Ca 0.07 2.48 0.09 0.00 0.70 0.00 0.00 55.95 59.29 2hyx s SER 620 Cb -0.12 -2.53 0.55 0.00 -1.71 0.00 0.00 66.02 62.22 2hyx s SER 620 CO -0.01 -1.26 1.56 -0.67 1.20 0.00 0.00 173.24 174.06 2hyx n ASP 621 N 8.47 2.94 -2.68 5.45 2.03 -0.21 -0.70 116.55 131.85 2hyx n ASP 621 Ca 0.22 -3.65 0.01 0.00 0.52 0.00 0.00 54.79 51.89 2hyx n ASP 621 Cb 0.42 -0.67 0.01 0.00 -0.72 0.00 0.00 41.12 40.16 2hyx n ASP 621 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2hyx n GLY 622 N -1.03 0.46 1.04 0.27 0.00 -1.24 -4.75 105.19 99.95 2hyx n GLY 622 Ca 0.37 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.53 2hyx n GLY 622 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hyx n ASN 623 N -0.77 3.17 -0.60 1.61 3.02 -1.26 -3.43 115.26 117.01 2hyx n ASN 623 Ca 0.02 -1.99 0.06 0.00 -0.03 0.00 0.00 54.58 52.64 2hyx n ASN 623 Cb 0.35 -0.11 0.12 0.00 -0.61 0.00 0.00 39.78 39.53 2hyx n ASN 623 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2hyx n ASP 624 N 1.38 2.62 -4.74 6.41 5.75 -1.26 -4.98 116.55 121.73 2hyx n ASP 624 Ca 0.17 -1.82 -0.41 0.00 -0.01 0.00 0.00 54.79 52.71 2hyx n ASP 624 Cb 0.60 -0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 40.49 2hyx n ASP 624 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hyx s ALA 625 N -0.99 3.46 0.09 2.12 0.00 -1.26 -4.27 121.76 120.91 2hyx s ALA 625 Ca 0.21 1.01 -0.15 0.00 0.00 0.00 0.00 51.96 53.02 2hyx s ALA 625 Cb 0.12 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.84 2hyx s ALA 625 CO 0.16 -0.40 0.37 0.00 0.00 0.00 0.00 175.76 175.88 2hyx s ALA 626 N -0.34 -0.83 -0.04 0.00 0.00 -0.68 -3.86 121.76 116.00 2hyx s ALA 626 Ca 0.52 -0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.49 2hyx s ALA 626 Cb -0.34 0.53 -0.00 0.00 0.00 0.00 0.00 23.12 23.31 2hyx s ALA 626 CO 0.40 -0.55 -0.16 0.42 0.00 0.00 0.00 175.76 175.87 2hyx s ILE 627 N -3.32 1.35 -0.12 0.00 1.01 0.17 -1.93 121.20 118.36 2hyx s ILE 627 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 2hyx s ILE 627 Cb 0.01 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.29 2hyx s ILE 627 CO -0.08 0.39 -0.09 -0.75 0.00 0.00 0.00 174.94 174.41 2hyx s LYS 628 N 0.11 3.26 -0.06 2.79 2.20 -0.37 -1.41 119.74 126.26 2hyx s LYS 628 Ca -0.05 -0.60 0.01 0.00 -0.36 0.00 0.00 55.97 54.97 2hyx s LYS 628 Cb -0.12 -2.69 0.02 0.00 -1.51 0.00 0.00 37.83 33.53 2hyx s LYS 628 CO 0.02 0.36 -0.07 -1.17 -0.36 0.00 0.00 175.35 174.13 2hyx s LEU 629 N -0.00 1.39 -0.25 5.43 2.96 0.52 -0.69 118.68 128.04 2hyx s LEU 629 Ca -0.02 -0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 53.62 2hyx s LEU 629 Cb -0.14 -0.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.93 2hyx s LEU 629 CO 0.03 -0.04 0.09 0.20 -1.32 0.00 0.00 176.35 175.32 2hyx s ASN 630 N 0.93 5.35 0.35 3.68 0.01 -0.21 -0.77 114.94 124.28 2hyx s ASN 630 Ca -0.11 -0.15 0.04 0.00 -0.71 0.00 0.00 52.86 51.93 2hyx s ASN 630 Cb -0.15 -1.97 -0.04 0.00 0.41 0.00 0.00 41.25 39.51 2hyx s ASN 630 CO 0.01 -0.02 0.12 -0.72 -1.51 0.00 0.00 177.10 174.98 2hyx s TYR 631 N 1.55 1.76 -0.33 2.20 -0.85 0.02 -1.95 117.35 119.74 2hyx s TYR 631 Ca 0.06 -1.24 -0.01 0.00 -0.52 0.00 0.00 57.07 55.35 2hyx s TYR 631 Cb -0.15 -1.08 0.12 0.00 0.38 0.00 0.00 41.96 41.23 2hyx s TYR 631 CO 0.05 -0.31 0.17 -1.58 -1.52 0.00 0.00 175.55 172.36 2hyx s HIS 632 N -3.37 0.77 0.08 -3.49 2.46 -1.26 -0.98 115.29 109.51 2hyx s HIS 632 Ca 0.30 -1.43 -0.25 0.00 0.47 0.00 0.00 55.06 54.15 2hyx s HIS 632 Cb 0.05 -1.06 0.09 0.00 -0.13 0.00 0.00 32.58 31.52 2hyx s HIS 632 CO 0.16 -0.83 1.17 0.00 -2.47 0.00 0.00 174.74 172.76 2hyx s ALA 633 N 1.43 -2.04 -0.27 1.58 0.00 -0.92 -2.05 121.76 119.49 2hyx s ALA 633 Ca 0.14 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 51.82 2hyx s ALA 633 Cb -0.20 0.86 -0.14 0.00 0.00 0.00 0.00 23.12 23.64 2hyx s ALA 633 CO -0.15 -1.11 -0.31 1.17 0.00 0.00 0.00 175.76 175.36 2hyx n LYS 634 N -0.83 0.61 -4.35 0.00 4.81 -0.23 -2.44 118.16 115.73 2hyx n LYS 634 Ca 0.01 0.22 -0.29 0.00 -0.87 0.00 0.00 58.31 57.37 2hyx n LYS 634 Cb 0.59 -1.50 -0.12 0.00 0.02 0.00 0.00 35.03 34.02 2hyx n LYS 634 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2hyx s ASP 635 N -7.12 3.68 -0.02 3.14 1.01 -0.68 -0.68 116.67 116.00 2hyx s ASP 635 Ca -0.37 -0.62 0.03 0.00 0.71 0.00 0.00 52.55 52.29 2hyx s ASP 635 Cb 0.13 -0.43 -0.00 0.00 1.01 0.00 0.00 42.92 43.62 2hyx s ASP 635 CO 0.53 0.18 -0.10 -0.69 0.21 0.00 0.00 175.17 175.30 2hyx s VAL 636 N -1.11 0.84 0.06 -1.27 1.01 -0.65 -1.15 120.40 118.13 2hyx s VAL 636 Ca 0.16 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.78 2hyx s VAL 636 Cb -0.10 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 2hyx s VAL 636 CO 0.08 0.25 -0.16 -0.31 0.00 0.00 0.00 175.10 174.97 2hyx s TYR 637 N -0.02 1.37 -0.09 5.22 2.02 0.06 -0.86 117.35 125.05 2hyx s TYR 637 Ca 0.00 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 56.35 2hyx s TYR 637 Cb -0.07 -0.80 -0.01 0.00 -0.40 0.00 0.00 41.96 40.69 2hyx s TYR 637 CO 0.00 0.07 -0.21 -1.50 -1.57 0.00 0.00 175.55 172.34 2hyx s ILE 638 N -0.98 2.34 -0.37 2.71 2.07 -0.24 -0.68 121.20 126.06 2hyx s ILE 638 Ca 0.02 -0.93 -0.17 0.00 -1.41 0.00 0.00 60.65 58.16 2hyx s ILE 638 Cb -0.09 -1.91 0.00 0.00 0.13 0.00 0.00 42.46 40.60 2hyx s ILE 638 CO 0.02 0.56 0.45 -0.69 -1.91 0.00 0.00 174.94 173.37 2hyx s VAL 639 N 0.15 5.07 0.03 4.00 1.01 0.22 -1.08 120.40 129.80 2hyx s VAL 639 Ca -0.11 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 2hyx s VAL 639 Cb -0.16 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 2hyx s VAL 639 CO 0.06 -0.24 0.01 0.54 0.00 0.00 0.00 175.10 175.47 2hyx s VAL 640 N 2.24 0.15 0.27 2.92 0.11 -0.98 -0.37 120.40 124.74 2hyx s VAL 640 Ca 0.15 -1.20 0.02 0.00 -2.93 0.00 0.00 61.98 58.02 2hyx s VAL 640 Cb -0.16 -0.78 -0.05 0.00 -1.53 0.00 0.00 36.38 33.86 2hyx s VAL 640 CO 0.13 -0.66 0.08 -0.83 -3.33 0.00 0.00 175.10 170.49 2hyx s GLY 641 N -2.03 1.80 0.00 6.54 0.00 -0.09 -2.41 107.32 111.12 2hyx s GLY 641 Ca -0.07 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.75 2hyx s GLY 641 CO -0.04 -1.65 0.00 0.61 0.00 0.00 0.00 173.10 172.02 2hyx n GLY 642 N -0.51 -2.52 3.21 0.20 0.00 -1.26 -1.60 105.19 102.71 2hyx n GLY 642 Ca -0.01 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.59 2hyx n GLY 642 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hyx s THR 643 N -0.47 1.88 -4.59 2.61 2.01 -1.26 -3.69 115.64 112.13 2hyx s THR 643 Ca 0.00 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.05 2hyx s THR 643 Cb 0.00 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.90 2hyx s THR 643 CO 0.00 0.52 0.00 0.61 -0.69 0.00 0.00 174.62 175.06 2hyx n GLY 644 N 3.23 -0.52 3.05 4.40 0.00 -0.16 -4.70 105.19 110.48 2hyx n GLY 644 Ca -0.18 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 2hyx n GLY 644 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hyx s THR 645 N -3.96 0.61 -0.16 2.61 -4.23 -1.26 -0.30 115.64 108.95 2hyx s THR 645 Ca 0.00 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 2hyx s THR 645 Cb 0.00 -0.61 0.00 0.00 1.34 0.00 0.00 72.50 73.23 2hyx s THR 645 CO 0.00 -0.18 -0.16 -0.22 -0.54 0.00 0.00 174.62 173.51 2hyx s LEU 646 N -1.12 2.39 -0.24 4.79 2.96 0.68 -1.43 118.68 126.71 2hyx s LEU 646 Ca -0.05 -0.51 -0.08 0.00 -0.22 0.00 0.00 54.13 53.28 2hyx s LEU 646 Cb -0.07 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 2hyx s LEU 646 CO 0.00 0.07 0.08 -0.89 -1.32 0.00 0.00 176.35 174.30 2hyx s THR 647 N 0.88 4.47 -0.25 3.68 2.01 -0.49 0.59 115.64 126.53 2hyx s THR 647 Ca -0.04 -0.12 -0.10 0.00 0.31 0.00 0.00 61.69 61.73 2hyx s THR 647 Cb -0.15 -3.09 -0.05 0.00 0.01 0.00 0.00 72.50 69.22 2hyx s THR 647 CO -0.02 0.34 0.16 -0.69 -0.69 0.00 0.00 174.62 173.73 2hyx s VAL 648 N 1.49 5.30 -0.28 3.82 1.01 0.16 -0.25 120.40 131.65 2hyx s VAL 648 Ca 0.06 0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.11 2hyx s VAL 648 Cb -0.15 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 2hyx s VAL 648 CO 0.04 0.33 0.12 -0.69 0.00 0.00 0.00 175.10 174.90 2hyx s VAL 649 N 1.20 4.47 -0.23 2.92 1.01 0.69 -1.13 120.40 129.32 2hyx s VAL 649 Ca 0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 2hyx s VAL 649 Cb -0.14 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.04 2hyx s VAL 649 CO 0.06 0.18 -0.02 -2.16 0.00 0.00 0.00 175.10 173.16 2hyx s PRO 654 N 1.61 3.30 -0.09 2.72 0.04 -1.26 -2.88 135.00 138.45 2hyx s PRO 654 Ca 0.05 -0.68 -0.12 0.00 0.04 0.00 0.00 61.00 60.29 2hyx s PRO 654 Cb -0.16 -3.07 0.03 0.00 0.04 0.00 0.00 34.50 31.33 2hyx s PRO 654 CO 0.05 -0.25 0.32 0.00 0.04 0.00 0.00 177.00 177.16 2hyx s ALA 655 N 1.47 -0.79 -0.05 8.56 0.00 -0.28 -5.17 121.76 125.50 2hyx s ALA 655 Ca 0.05 0.72 0.03 0.00 0.00 0.00 0.00 51.96 52.76 2hyx s ALA 655 Cb -0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 2hyx s ALA 655 CO -0.02 -0.19 -0.13 0.99 0.00 0.00 0.00 175.76 176.41 2hyx s THR 656 N -0.31 3.21 -0.12 0.00 2.01 -1.26 0.39 115.64 119.55 2hyx s THR 656 Ca -0.04 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.28 2hyx s THR 656 Cb -0.03 -2.27 0.02 0.00 0.01 0.00 0.00 72.50 70.23 2hyx s THR 656 CO 0.02 0.59 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.67 2hyx s LEU 657 N -0.77 1.42 0.19 4.42 1.43 0.20 -4.96 118.68 120.61 2hyx s LEU 657 Ca 0.12 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 2hyx s LEU 657 Cb -0.11 -0.97 -0.08 0.00 0.03 0.00 0.00 46.19 45.06 2hyx s LEU 657 CO 0.01 -0.08 1.19 -2.16 0.23 0.00 0.00 176.35 175.54 2hyx s PRO 658 N 1.52 4.50 -0.10 1.29 0.04 -1.26 -0.23 135.00 140.76 2hyx s PRO 658 Ca 0.03 1.86 0.04 0.00 0.04 0.00 0.00 61.00 62.97 2hyx s PRO 658 Cb -0.13 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.17 2hyx s PRO 658 CO -0.08 -0.07 -0.22 0.42 0.04 0.00 0.00 177.00 177.09 2hyx s ILE 659 N -0.12 1.93 -0.01 0.56 -1.09 0.58 -4.91 121.20 118.14 2hyx s ILE 659 Ca 0.52 -0.94 -0.30 0.00 -2.23 0.00 0.00 60.65 57.70 2hyx s ILE 659 Cb -0.32 -1.68 0.10 0.00 -1.58 0.00 0.00 42.46 38.98 2hyx s ILE 659 CO 0.37 0.53 1.06 -0.94 -1.23 0.00 0.00 174.94 174.73 2hyx s SER 660 N 0.41 -0.20 0.00 3.58 1.04 -1.24 -0.99 113.70 116.30 2hyx s SER 660 Ca -0.18 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2hyx s SER 660 Cb -0.18 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2hyx s SER 660 CO 0.08 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.37 2hyx n GLY 661 N -0.32 -1.68 3.76 7.32 0.00 -1.26 -4.90 105.19 108.11 2hyx n GLY 661 Ca -0.06 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 2hyx n GLY 661 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2hyx s PRO 662 N 0.00 4.19 0.36 1.61 0.02 -1.26 -4.56 135.00 135.36 2hyx s PRO 662 Ca 0.00 2.46 -0.29 0.00 0.02 0.00 0.00 61.00 63.19 2hyx s PRO 662 Cb 0.00 -3.04 -0.11 0.00 0.02 0.00 0.00 34.50 31.37 2hyx s PRO 662 CO 0.00 -0.49 1.51 -2.14 -0.33 0.00 0.00 177.00 175.55 2hyx s PRO 663 N -1.06 4.11 0.08 5.54 0.02 -1.26 -4.95 135.00 137.48 2hyx s PRO 663 Ca 0.58 2.58 -0.07 0.00 0.02 0.00 0.00 61.00 64.10 2hyx s PRO 663 Cb -0.45 -2.98 0.03 0.00 0.02 0.00 0.00 34.50 31.12 2hyx s PRO 663 CO 0.51 -0.56 0.36 -2.37 -0.33 0.00 0.00 177.00 174.61 2hyx n THR 664 N 0.87 0.00 -2.58 0.99 5.66 -1.01 -4.93 114.28 113.27 2hyx n THR 664 Ca 0.03 -0.23 -0.41 0.00 -3.05 0.00 0.00 64.05 60.39 2hyx n THR 664 Cb 0.39 0.30 -0.05 0.00 -1.55 0.00 0.00 70.33 69.42 2hyx n THR 664 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2hyx s THR 665 N -2.44 3.87 -0.11 1.09 -4.23 -1.26 -2.31 115.64 110.26 2hyx s THR 665 Ca 0.08 1.74 -0.01 0.00 -1.18 0.00 0.00 61.69 62.32 2hyx s THR 665 Cb -0.01 -4.11 0.03 0.00 1.34 0.00 0.00 72.50 69.75 2hyx s THR 665 CO 0.02 0.36 -0.03 -1.00 -0.54 0.00 0.00 174.62 173.43 2hyx s HIS 666 N -0.70 1.15 0.08 3.99 3.76 -0.24 -4.94 115.29 118.38 2hyx s HIS 666 Ca 0.46 -0.55 -0.31 0.00 -0.15 0.00 0.00 55.06 54.50 2hyx s HIS 666 Cb -0.29 -1.05 -0.07 0.00 1.11 0.00 0.00 32.58 32.28 2hyx s HIS 666 CO 0.35 -0.46 1.37 -1.14 -0.85 0.00 0.00 174.74 174.02 2hyx s GLN 667 N 1.82 4.33 -0.01 1.40 0.74 -1.26 -1.08 119.66 125.59 2hyx s GLN 667 Ca 0.04 2.01 0.10 0.00 0.05 0.00 0.00 55.36 57.56 2hyx s GLN 667 Cb -0.13 -3.33 -0.14 0.00 1.10 0.00 0.00 33.01 30.50 2hyx s GLN 667 CO -0.07 -0.45 0.24 1.33 -0.55 0.00 0.00 175.29 175.80 2hyx n VAL 668 N 4.11 0.00 -3.76 1.34 0.24 -0.04 -4.94 118.33 115.28 2hyx n VAL 668 Ca 0.12 -0.23 -0.15 0.00 -2.04 0.00 0.00 64.34 62.03 2hyx n VAL 668 Cb 0.43 0.39 -0.16 0.00 -1.47 0.00 0.00 33.84 33.03 2hyx n VAL 668 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2hyx s VAL 669 N -2.56 -0.06 -0.56 3.34 1.01 -1.03 -4.96 120.40 115.58 2hyx s VAL 669 Ca -0.02 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.22 2hyx s VAL 669 Cb 0.06 -0.12 0.15 0.00 0.00 0.00 0.00 36.38 36.47 2hyx s VAL 669 CO 0.40 0.09 0.34 0.00 0.00 0.00 0.00 175.10 175.94 2hyx s ALA 670 N 1.18 3.03 1.00 5.51 0.00 -1.26 -1.64 121.76 129.58 2hyx s ALA 670 Ca -0.08 -3.23 -0.16 0.00 0.00 0.00 0.00 51.96 48.48 2hyx s ALA 670 Cb -0.13 -2.05 0.21 0.00 0.00 0.00 0.00 23.12 21.16 2hyx s ALA 670 CO -0.04 -2.05 1.27 0.20 0.00 0.00 0.00 175.76 175.13 2hyx s GLY 671 N -0.51 1.72 -0.18 0.00 0.00 0.14 -5.01 107.32 103.48 2hyx s GLY 671 Ca 0.21 -1.09 0.18 0.00 0.00 0.00 0.00 44.72 44.02 2hyx s GLY 671 CO -0.08 -0.32 0.09 -1.72 0.00 0.00 0.00 173.10 171.07 2hyx n TYR 672 N -3.94 0.00 -3.82 1.90 4.02 -1.26 -4.87 117.16 109.19 2hyx n TYR 672 Ca 0.14 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.93 2hyx n TYR 672 Cb 0.60 -0.94 -0.06 0.00 -0.02 0.00 0.00 39.34 38.92 2hyx n TYR 672 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 2hyx s ARG 673 N -2.54 1.17 -0.29 -0.72 1.70 -1.26 -5.11 118.95 111.91 2hyx s ARG 673 Ca -0.10 -0.96 -0.29 0.00 -0.47 0.00 0.00 55.73 53.91 2hyx s ARG 673 Cb 0.06 0.44 0.01 0.00 -0.57 0.00 0.00 34.95 34.89 2hyx s ARG 673 CO 0.81 -0.46 1.18 -1.17 -1.08 0.00 0.00 175.30 174.58 2hyx s LEU 674 N -2.89 3.95 0.23 -1.89 2.96 -1.26 -4.19 118.68 115.59 2hyx s LEU 674 Ca 0.10 1.21 -0.17 0.00 -0.22 0.00 0.00 54.13 55.05 2hyx s LEU 674 Cb 0.02 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.18 2hyx s LEU 674 CO -0.04 -0.93 0.56 0.00 -1.32 0.00 0.00 176.35 174.62 2hyx s ALA 675 N 3.87 -0.83 -0.07 5.97 0.00 -1.02 -4.89 121.76 124.78 2hyx s ALA 675 Ca 0.50 -0.41 -0.29 0.00 0.00 0.00 0.00 51.96 51.76 2hyx s ALA 675 Cb -0.15 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 2hyx s ALA 675 CO 0.18 -0.88 0.97 -1.12 0.00 0.00 0.00 175.76 174.90 2hyx s SER 676 N -2.92 7.25 0.31 0.00 0.01 -1.26 -2.16 113.70 114.92 2hyx s SER 676 Ca 0.13 1.52 -0.03 0.00 1.31 0.00 0.00 55.95 58.89 2hyx s SER 676 Cb -0.02 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 2hyx s SER 676 CO 0.03 -0.36 0.40 -1.61 0.41 0.00 0.00 173.24 172.10 2hyx s GLU 677 N 1.62 1.73 0.10 12.44 0.41 -0.15 -4.99 118.70 129.86 2hyx s GLU 677 Ca 0.48 -1.70 0.07 0.00 -0.41 0.00 0.00 54.97 53.42 2hyx s GLU 677 Cb -0.19 0.41 -0.03 0.00 -1.78 0.00 0.00 34.13 32.53 2hyx s GLU 677 CO 0.21 -0.69 -0.19 0.99 -0.49 0.00 0.00 175.26 175.09 2hyx s THR 678 N -3.42 1.55 0.01 3.63 2.01 -1.26 -0.80 115.64 117.35 2hyx s THR 678 Ca 0.32 -1.52 -0.11 0.00 0.31 0.00 0.00 61.69 60.69 2hyx s THR 678 Cb 0.01 -1.45 0.01 0.00 0.01 0.00 0.00 72.50 71.08 2hyx s THR 678 CO 0.18 -0.14 0.22 -0.22 -0.69 0.00 0.00 174.62 173.98 2hyx s LEU 679 N -1.94 1.21 -0.02 4.42 2.96 0.05 -5.00 118.68 120.36 2hyx s LEU 679 Ca 0.05 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2hyx s LEU 679 Cb -0.09 0.99 0.01 0.00 0.50 0.00 0.00 46.19 47.59 2hyx s LEU 679 CO 0.04 -0.45 -0.06 -0.70 -1.32 0.00 0.00 176.35 173.86 2hyx s GLU 680 N -1.64 0.66 0.01 1.98 2.12 -1.14 -0.35 118.70 120.33 2hyx s GLU 680 Ca -0.12 -0.18 0.05 0.00 0.36 0.00 0.00 54.97 55.09 2hyx s GLU 680 Cb -0.05 -0.66 -0.02 0.00 0.26 0.00 0.00 34.13 33.67 2hyx s GLU 680 CO 0.01 0.05 -0.16 0.14 -0.54 0.00 0.00 175.26 174.76 2hyx s VAL 681 N 0.32 1.29 -0.33 3.70 -7.23 -0.50 -0.23 120.40 117.42 2hyx s VAL 681 Ca -0.04 -0.82 0.03 0.00 -1.81 0.00 0.00 61.98 59.35 2hyx s VAL 681 Cb -0.08 -1.10 0.09 0.00 0.56 0.00 0.00 36.38 35.85 2hyx s VAL 681 CO -0.00 0.27 0.04 -0.13 -0.31 0.00 0.00 175.10 174.96 2hyx s ARG 682 N -0.63 1.65 -0.03 4.82 0.52 0.65 -0.66 118.95 125.27 2hyx s ARG 682 Ca 0.05 -1.78 -0.24 0.00 -0.52 0.00 0.00 55.73 53.24 2hyx s ARG 682 Cb -0.07 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 2hyx s ARG 682 CO 0.00 -0.89 0.73 -2.14 0.02 0.00 0.00 175.30 173.02 2hyx s PRO 683 N 0.95 4.45 0.67 3.54 0.02 -1.25 -1.40 135.00 141.99 2hyx s PRO 683 Ca 0.07 0.96 -0.16 0.00 0.02 0.00 0.00 61.00 61.89 2hyx s PRO 683 Cb -0.19 -3.42 0.01 0.00 0.02 0.00 0.00 34.50 30.92 2hyx s PRO 683 CO -0.07 0.14 1.21 -1.54 -0.33 0.00 0.00 177.00 176.41 2hyx s SER 684 N 0.50 4.61 0.13 2.53 1.04 -0.51 -4.72 113.70 117.28 2hyx s SER 684 Ca 0.38 2.36 -0.35 0.00 0.48 0.00 0.00 55.95 58.83 2hyx s SER 684 Cb -0.19 -2.59 -0.16 0.00 0.10 0.00 0.00 66.02 63.18 2hyx s SER 684 CO 0.20 -1.98 1.22 1.17 0.98 0.00 0.00 173.24 174.83 2hyx n LYS 685 N -2.27 1.09 0.00 4.02 4.81 -1.22 -2.05 118.16 122.53 2hyx n LYS 685 Ca 0.13 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 2hyx n LYS 685 Cb 0.50 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.61 2hyx n LYS 685 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hyx n GLY 686 N 2.20 3.32 3.75 3.14 0.00 0.12 -4.96 105.19 112.75 2hyx n GLY 686 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2hyx n GLY 686 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hyx s LEU 687 N 0.00 4.48 -0.24 0.99 1.43 -0.87 -4.75 118.68 119.72 2hyx s LEU 687 Ca 0.00 2.27 -0.07 0.00 -1.03 0.00 0.00 54.13 55.30 2hyx s LEU 687 Cb 0.00 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 2hyx s LEU 687 CO 0.00 -0.30 0.06 -1.58 0.23 0.00 0.00 176.35 174.76 2hyx s GLN 688 N -0.75 3.62 -0.21 1.70 0.74 -0.63 -1.05 119.66 123.08 2hyx s GLN 688 Ca 0.49 -0.49 -0.14 0.00 0.05 0.00 0.00 55.36 55.27 2hyx s GLN 688 Cb -0.33 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 2hyx s GLN 688 CO 0.39 -0.18 0.31 0.08 -0.55 0.00 0.00 175.29 175.34 2hyx s VAL 689 N 1.58 5.26 -0.23 1.34 1.01 0.16 -0.91 120.40 128.60 2hyx s VAL 689 Ca 0.06 0.53 0.04 0.00 0.00 0.00 0.00 61.98 62.61 2hyx s VAL 689 Cb -0.15 -3.65 -0.20 0.00 0.00 0.00 0.00 36.38 32.39 2hyx s VAL 689 CO 0.03 0.29 -0.09 0.49 0.00 0.00 0.00 175.10 175.82 2hyx n PHE 690 N 4.37 0.16 -3.71 5.22 3.72 0.50 -1.17 117.46 126.55 2hyx n PHE 690 Ca -0.11 0.04 0.02 0.00 -0.05 0.00 0.00 57.45 57.36 2hyx n PHE 690 Cb 0.51 -1.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.03 2hyx n PHE 690 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2hyx s SER 691 N -6.39 -0.03 -0.06 4.37 1.04 -1.18 -2.09 113.70 109.37 2hyx s SER 691 Ca -0.29 -0.13 0.06 0.00 0.48 0.00 0.00 55.95 56.08 2hyx s SER 691 Cb 0.08 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 2hyx s SER 691 CO 0.66 -0.24 -0.25 -0.36 0.98 0.00 0.00 173.24 174.04 2hyx s PHE 692 N -2.23 2.44 0.26 5.02 0.08 -0.52 -0.61 117.98 122.42 2hyx s PHE 692 Ca 0.19 -0.69 0.04 0.00 0.12 0.00 0.00 56.93 56.58 2hyx s PHE 692 Cb 0.04 -1.59 -0.05 0.00 -0.57 0.00 0.00 43.02 40.84 2hyx s PHE 692 CO -0.04 -0.20 0.01 0.95 -0.10 0.00 0.00 175.22 175.85 2hyx s THR 693 N -0.20 1.08 0.28 0.64 -4.23 0.15 -1.46 115.64 111.89 2hyx s THR 693 Ca -0.02 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 58.47 2hyx s THR 693 Cb -0.13 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.18 2hyx s THR 693 CO 0.03 -0.23 0.09 -0.31 -0.54 0.00 0.00 174.62 173.67 2hyx s TYR 694 N -3.39 1.66 0.00 3.99 2.02 -1.26 -0.76 117.35 119.61 2hyx s TYR 694 Ca 0.31 -1.13 0.00 0.00 -0.37 0.00 0.00 57.07 55.88 2hyx s TYR 694 Cb 0.06 -1.00 0.00 0.00 -0.40 0.00 0.00 41.96 40.62 2hyx s TYR 694 CO 0.11 -0.25 0.00 0.41 -1.57 0.00 0.00 175.55 174.25