#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf9 n GLY 391 N 0.00 1.34 3.07 3.41 0.00 -1.26 -4.71 105.19 107.04 1xf9 n GLY 391 Ca 0.00 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 1xf9 n GLY 391 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xf9 s ILE 392 N 1.50 -0.02 0.04 -0.61 2.07 0.71 -4.49 121.20 120.41 1xf9 s ILE 392 Ca 0.00 0.06 0.07 0.00 -1.41 0.00 0.00 60.65 59.37 1xf9 s ILE 392 Cb 0.00 -0.32 -0.02 0.00 0.13 0.00 0.00 42.46 42.25 1xf9 s ILE 392 CO 0.00 0.02 -0.20 -0.63 -1.91 0.00 0.00 174.94 172.23 1xf9 s ILE 393 N 0.53 1.59 -0.05 2.00 1.01 0.17 -0.18 121.20 126.27 1xf9 s ILE 393 Ca -0.03 -1.16 -0.02 0.00 0.00 0.00 0.00 60.65 59.43 1xf9 s ILE 393 Cb -0.05 -1.39 0.04 0.00 0.01 0.00 0.00 42.46 41.07 1xf9 s ILE 393 CO -0.03 0.19 0.09 -0.04 0.00 0.00 0.00 174.94 175.15 1xf9 s MET 394 N -1.15 -0.04 -0.23 2.79 -1.94 0.53 -0.74 119.30 118.53 1xf9 s MET 394 Ca 0.07 0.42 0.00 0.00 -1.71 0.00 0.00 55.69 54.47 1xf9 s MET 394 Cb -0.09 -0.41 0.03 0.00 2.01 0.00 0.00 34.83 36.37 1xf9 s MET 394 CO 0.02 -0.31 -0.12 -1.21 -0.01 0.00 0.00 175.02 173.39 1xf9 s GLU 395 N 2.11 2.78 -0.72 2.03 2.02 0.04 -1.91 118.70 125.04 1xf9 s GLU 395 Ca 0.03 -0.99 -0.09 0.00 0.02 0.00 0.00 54.97 53.94 1xf9 s GLU 395 Cb -0.12 -2.83 0.01 0.00 0.10 0.00 0.00 34.13 31.30 1xf9 s GLU 395 CO -0.04 -0.36 0.47 -1.71 0.02 0.00 0.00 175.26 173.64 1xf9 n ASN 396 N 4.61 -3.45 -4.81 -0.19 2.85 -1.17 -1.34 115.26 111.77 1xf9 n ASN 396 Ca -0.18 -0.83 -0.36 0.00 -0.11 0.00 0.00 54.58 53.11 1xf9 n ASN 396 Cb 0.47 -1.20 -0.07 0.00 1.24 0.00 0.00 39.78 40.22 1xf9 n ASN 396 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1xf9 s VAL 397 N -3.11 5.39 -0.00 3.44 1.01 -0.70 -2.32 120.40 124.09 1xf9 s VAL 397 Ca 0.12 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1xf9 s VAL 397 Cb -0.07 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 1xf9 s VAL 397 CO 0.70 0.55 -0.01 -0.89 0.00 0.00 0.00 175.10 175.45 1xf9 s THR 398 N -0.51 0.11 -0.00 3.92 2.01 -0.93 -0.11 115.64 120.12 1xf9 s THR 398 Ca 0.12 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.06 1xf9 s THR 398 Cb -0.12 -0.10 0.00 0.00 0.01 0.00 0.00 72.50 72.29 1xf9 s THR 398 CO 0.02 0.03 -0.01 0.00 -0.69 0.00 0.00 174.62 173.97 1xf9 s ALA 399 N -0.03 0.16 0.33 7.40 0.00 0.14 -1.36 121.76 128.40 1xf9 s ALA 399 Ca 0.01 -0.04 0.07 0.00 0.00 0.00 0.00 51.96 51.99 1xf9 s ALA 399 Cb -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 1xf9 s ALA 399 CO -0.00 0.02 0.44 -0.06 0.00 0.00 0.00 175.76 176.17 1xf9 s PHE 400 N 0.08 3.12 -0.05 0.00 0.08 -1.26 -0.13 117.98 119.82 1xf9 s PHE 400 Ca -0.00 -0.21 -0.30 0.00 0.12 0.00 0.00 56.93 56.53 1xf9 s PHE 400 Cb -0.02 -1.94 -0.05 0.00 -0.57 0.00 0.00 43.02 40.44 1xf9 s PHE 400 CO -0.00 0.04 1.55 -1.58 -0.10 0.00 0.00 175.22 175.13 1xf9 s TRP 401 N -2.17 2.32 0.23 0.36 0.52 -0.91 -4.74 118.94 114.54 1xf9 s TRP 401 Ca 0.44 0.44 0.10 0.00 0.02 0.00 0.00 56.10 57.10 1xf9 s TRP 401 Cb -0.09 -3.81 -0.04 0.00 -1.15 0.00 0.00 33.47 28.37 1xf9 s TRP 401 CO 0.30 -3.27 -0.10 -1.21 0.02 0.00 0.00 176.95 172.70 1xf9 s GLU 402 N 3.50 2.03 0.40 4.98 0.41 -1.26 -4.45 118.70 124.30 1xf9 s GLU 402 Ca 0.69 -1.42 -0.27 0.00 -0.41 0.00 0.00 54.97 53.56 1xf9 s GLU 402 Cb -0.32 -2.07 -0.10 0.00 -1.78 0.00 0.00 34.13 29.87 1xf9 s GLU 402 CO 0.27 0.39 1.41 -1.21 -0.49 0.00 0.00 175.26 175.63 1xf9 s GLU 403 N -3.20 3.97 0.00 1.61 2.02 -1.26 -3.03 118.70 118.81 1xf9 s GLU 403 Ca 0.27 2.39 0.00 0.00 0.02 0.00 0.00 54.97 57.66 1xf9 s GLU 403 Cb -0.07 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.32 1xf9 s GLU 403 CO 0.16 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 175.28 1xf9 n GLY 404 N 0.58 2.30 0.45 -1.39 0.00 -1.26 -4.83 105.19 101.04 1xf9 n GLY 404 Ca 0.03 -0.50 0.31 0.00 0.00 0.00 0.00 46.02 45.86 1xf9 n GLY 404 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xf9 h PHE 405 N 0.00 0.54 -0.22 1.61 3.57 -1.91 0.50 116.94 121.03 1xf9 h PHE 405 Ca 0.00 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 1xf9 h PHE 405 Cb 0.00 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1xf9 h PHE 405 CO 0.00 -0.08 -0.26 0.78 -2.23 0.00 0.00 178.31 176.52 1xf9 h GLY 406 N 0.21 0.45 0.88 2.40 0.00 -1.88 -0.10 103.07 105.02 1xf9 h GLY 406 Ca 0.71 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 47.57 1xf9 h GLY 406 CO -0.34 0.33 -0.30 0.83 0.00 0.00 0.00 176.54 177.07 1xf9 h GLU 407 N 0.37 0.55 0.54 4.80 4.39 -0.42 -3.26 114.58 121.55 1xf9 h GLU 407 Ca 0.06 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.40 1xf9 h GLU 407 Cb 0.65 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1xf9 h GLU 407 CO 0.05 0.93 -0.36 1.25 -1.16 0.00 0.00 179.01 179.72 1xf9 h LEU 408 N 0.22 -0.93 0.00 1.33 5.85 -1.21 -3.52 115.31 117.05 1xf9 h LEU 408 Ca 0.02 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1xf9 h LEU 408 Cb 0.88 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1xf9 h LEU 408 CO 0.07 -0.54 0.00 0.18 -0.34 0.00 0.00 178.44 177.81 1xf9 n LEU 409 N -4.64 0.00 0.00 2.25 4.77 -0.07 -5.11 117.00 114.20 1xf9 n LEU 409 Ca -0.10 0.85 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 1xf9 n LEU 409 Cb 0.36 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1xf9 n LEU 409 CO 0.24 -0.35 -0.36 -1.20 -1.33 0.00 0.00 177.39 174.39 1xf9 n SER 431 N -2.26 3.58 0.07 -1.43 7.64 -1.26 -5.09 113.62 114.88 1xf9 n SER 431 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1xf9 n SER 431 Cb 0.00 0.41 -0.01 0.00 -1.01 0.00 0.00 64.21 63.60 1xf9 n SER 431 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1xf9 h HIS 432 N 0.00 0.44 -0.14 1.43 3.86 -2.03 -1.42 115.15 117.30 1xf9 h HIS 432 Ca 0.00 -0.23 -0.13 0.00 -1.16 0.00 0.00 60.37 58.85 1xf9 h HIS 432 Cb 0.62 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1xf9 h HIS 432 CO 0.00 1.03 -0.42 -0.07 0.86 0.00 0.00 177.93 179.34 1xf9 h LEU 433 N 0.18 0.60 -1.20 2.43 3.38 -1.97 -1.23 115.31 117.49 1xf9 h LEU 433 Ca -0.05 -0.60 -0.06 0.00 0.09 0.00 0.00 57.88 57.27 1xf9 h LEU 433 Cb 1.49 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 1xf9 h LEU 433 CO 0.14 1.10 -0.04 0.00 0.09 0.00 0.00 178.44 179.72 1xf9 h LEU 435 N 0.47 0.27 0.00 0.00 5.85 -1.23 -3.09 115.31 117.59 1xf9 h LEU 435 Ca 0.10 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1xf9 h LEU 435 Cb 0.37 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1xf9 h LEU 435 CO 0.02 1.03 -0.35 0.52 -0.34 0.00 0.00 178.44 179.32 1xf9 n VAL 436 N -3.66 0.04 -3.31 1.05 0.31 -0.47 -4.96 118.33 107.34 1xf9 n VAL 436 Ca -0.04 -0.03 -0.16 0.00 -0.01 0.00 0.00 64.34 64.11 1xf9 n VAL 436 Cb 0.82 -0.02 0.08 0.00 -0.91 0.00 0.00 33.84 33.81 1xf9 n VAL 436 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xf9 n GLY 437 N 1.48 -0.29 3.73 2.92 0.00 0.36 -4.97 105.19 108.41 1xf9 n GLY 437 Ca 0.06 0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1xf9 n GLY 437 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xf9 s ASN 438 N -4.23 7.19 0.19 1.61 3.84 -0.68 -4.90 114.94 117.96 1xf9 s ASN 438 Ca 0.01 1.43 -0.30 0.00 0.21 0.00 0.00 52.86 54.21 1xf9 s ASN 438 Cb -0.00 -2.48 -0.09 0.00 -0.55 0.00 0.00 41.25 38.13 1xf9 s ASN 438 CO 0.67 -0.09 1.40 -2.16 -2.79 0.00 0.00 177.10 174.13 1xf9 s PRO 439 N 0.43 4.32 -0.01 0.43 0.04 -1.26 -2.13 135.00 136.82 1xf9 s PRO 439 Ca 0.42 2.16 0.13 0.00 0.04 0.00 0.00 61.00 63.75 1xf9 s PRO 439 Cb -0.20 -3.18 -0.22 0.00 0.04 0.00 0.00 34.50 30.95 1xf9 s PRO 439 CO 0.23 -0.39 0.75 -0.24 0.04 0.00 0.00 177.00 177.39 1xf9 h VAL 440 N 3.84 0.89 -3.31 -0.36 3.04 -0.82 -3.45 116.25 116.08 1xf9 h VAL 440 Ca -0.44 -2.69 -0.29 0.00 -1.01 0.00 0.00 66.70 62.27 1xf9 h VAL 440 Cb 1.21 2.42 -0.34 0.00 -2.01 0.00 0.00 31.29 32.57 1xf9 h VAL 440 CO 0.81 0.51 -0.67 -0.76 -1.01 0.00 0.00 177.57 176.45 1xf9 s LEU 441 N -6.12 0.57 -0.09 3.16 1.43 -1.07 -4.23 118.68 112.33 1xf9 s LEU 441 Ca -0.04 0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 1xf9 s LEU 441 Cb 0.08 0.13 0.00 0.00 0.03 0.00 0.00 46.19 46.44 1xf9 s LEU 441 CO 0.82 -0.18 -0.20 -0.75 0.23 0.00 0.00 176.35 176.27 1xf9 s LYS 442 N 1.53 2.64 -1.24 1.70 2.20 0.11 -0.68 119.74 126.00 1xf9 s LYS 442 Ca -0.04 -0.74 -0.25 0.00 -0.36 0.00 0.00 55.97 54.58 1xf9 s LYS 442 Cb -0.12 -2.03 0.02 0.00 -1.51 0.00 0.00 37.83 34.19 1xf9 s LYS 442 CO -0.05 0.13 0.62 0.09 -0.36 0.00 0.00 175.35 175.78 1xf9 n ASN 443 N 3.63 -3.64 -4.75 1.43 3.02 -0.80 -4.21 115.26 109.94 1xf9 n ASN 443 Ca -0.20 -1.20 -0.39 0.00 -0.03 0.00 0.00 54.58 52.76 1xf9 n ASN 443 Cb 0.53 -2.27 -0.05 0.00 -0.61 0.00 0.00 39.78 37.38 1xf9 n ASN 443 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xf9 s ILE 444 N -3.63 4.87 -0.03 2.41 -1.09 0.84 -4.69 121.20 119.87 1xf9 s ILE 444 Ca 0.40 1.41 0.01 0.00 -2.23 0.00 0.00 60.65 60.24 1xf9 s ILE 444 Cb -0.19 -4.01 0.02 0.00 -1.58 0.00 0.00 42.46 36.70 1xf9 s ILE 444 CO 0.94 0.37 -0.01 0.20 -1.23 0.00 0.00 174.94 175.21 1xf9 s ASN 445 N 0.01 0.52 -0.14 3.58 0.01 -1.26 -1.73 114.94 115.92 1xf9 s ASN 445 Ca 0.35 -0.05 -0.29 0.00 -0.71 0.00 0.00 52.86 52.15 1xf9 s ASN 445 Cb -0.19 -0.26 0.09 0.00 0.41 0.00 0.00 41.25 41.30 1xf9 s ASN 445 CO 0.19 -0.08 0.82 -1.48 -1.51 0.00 0.00 177.10 175.04 1xf9 s LEU 446 N 0.94 -0.56 -0.28 0.60 0.05 -0.81 -4.96 118.68 113.67 1xf9 s LEU 446 Ca -0.10 0.75 -0.03 0.00 0.05 0.00 0.00 54.13 54.80 1xf9 s LEU 446 Cb -0.13 2.24 0.09 0.00 -2.05 0.00 0.00 46.19 46.34 1xf9 s LEU 446 CO -0.01 -0.42 0.11 0.21 -0.55 0.00 0.00 176.35 175.69 1xf9 s ASN 447 N -0.76 3.52 -0.21 1.48 2.47 -1.26 -0.35 114.94 119.84 1xf9 s ASN 447 Ca -0.05 -1.29 -0.06 0.00 0.42 0.00 0.00 52.86 51.88 1xf9 s ASN 447 Cb -0.01 -0.48 -0.03 0.00 -1.45 0.00 0.00 41.25 39.27 1xf9 s ASN 447 CO 0.04 -0.42 0.02 -0.63 -3.72 0.00 0.00 177.10 172.40 1xf9 s ILE 448 N 1.97 4.13 0.53 -5.21 -1.09 0.74 -4.98 121.20 117.30 1xf9 s ILE 448 Ca 0.08 -0.25 -0.17 0.00 -2.23 0.00 0.00 60.65 58.08 1xf9 s ILE 448 Cb -0.16 -2.88 -0.07 0.00 -1.58 0.00 0.00 42.46 37.76 1xf9 s ILE 448 CO -0.30 0.41 1.01 -1.61 -1.23 0.00 0.00 174.94 173.22 1xf9 s GLU 449 N 1.06 3.76 0.31 2.79 0.41 -1.26 -0.21 118.70 125.57 1xf9 s GLU 449 Ca 0.03 1.10 -0.28 0.00 -0.41 0.00 0.00 54.97 55.40 1xf9 s GLU 449 Cb -0.14 -2.10 -0.13 0.00 -1.78 0.00 0.00 34.13 29.97 1xf9 s GLU 449 CO 0.02 -0.43 1.16 1.63 -0.49 0.00 0.00 175.26 177.15 1xf9 n LYS 450 N -1.55 1.75 -0.98 1.61 5.02 -1.26 -1.68 118.16 121.06 1xf9 n LYS 450 Ca 0.08 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1xf9 n LYS 450 Cb 0.53 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 1xf9 n LYS 450 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xf9 n GLY 451 N 1.05 0.39 3.95 0.72 0.00 -1.26 -4.89 105.19 105.17 1xf9 n GLY 451 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1xf9 n GLY 451 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xf9 s GLU 452 N -0.56 3.46 -0.09 1.61 2.02 -0.68 -4.39 118.70 120.07 1xf9 s GLU 452 Ca 0.00 -0.60 0.02 0.00 0.02 0.00 0.00 54.97 54.42 1xf9 s GLU 452 Cb 0.00 -2.89 -0.02 0.00 0.10 0.00 0.00 34.13 31.32 1xf9 s GLU 452 CO 0.00 0.44 -0.16 1.41 0.02 0.00 0.00 175.26 176.96 1xf9 s MET 453 N -3.61 2.93 -0.22 1.61 -2.45 -1.26 -1.41 119.30 114.90 1xf9 s MET 453 Ca 0.35 -0.74 -0.05 0.00 -1.25 0.00 0.00 55.69 54.00 1xf9 s MET 453 Cb -0.10 -2.44 -0.02 0.00 1.25 0.00 0.00 34.83 33.52 1xf9 s MET 453 CO 0.29 0.37 -0.01 -1.17 1.05 0.00 0.00 175.02 175.56 1xf9 s LEU 454 N -0.08 3.12 -0.18 4.11 2.96 0.20 -1.87 118.68 126.93 1xf9 s LEU 454 Ca -0.03 -0.29 -0.16 0.00 -0.22 0.00 0.00 54.13 53.43 1xf9 s LEU 454 Cb -0.14 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1xf9 s LEU 454 CO 0.04 0.01 0.39 0.00 -1.32 0.00 0.00 176.35 175.46 1xf9 s ALA 455 N 1.34 3.55 -0.20 5.97 0.00 -0.69 -0.75 121.76 130.98 1xf9 s ALA 455 Ca 0.04 -0.47 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 1xf9 s ALA 455 Cb -0.15 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.39 1xf9 s ALA 455 CO 0.00 -0.19 -0.11 0.42 0.00 0.00 0.00 175.76 175.88 1xf9 s ILE 456 N 1.07 2.84 0.14 0.00 1.01 0.10 -1.49 121.20 124.88 1xf9 s ILE 456 Ca 0.19 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1xf9 s ILE 456 Cb -0.14 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 1xf9 s ILE 456 CO 0.07 0.47 0.06 1.07 0.00 0.00 0.00 174.94 176.61 1xf9 n THR 457 N 4.66 0.00 -0.35 2.92 5.66 -0.25 -1.50 114.28 125.41 1xf9 n THR 457 Ca -0.19 -0.84 0.00 0.00 -3.05 0.00 0.00 64.05 59.97 1xf9 n THR 457 Cb 0.51 0.31 0.00 0.00 -1.55 0.00 0.00 70.33 69.60 1xf9 n THR 457 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xf9 n GLY 458 N 1.07 -1.62 3.77 1.09 0.00 -1.26 -0.39 105.19 107.85 1xf9 n GLY 458 Ca -0.02 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 1xf9 n GLY 458 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xf9 s SER 459 N -0.51 5.05 0.25 1.61 1.04 -0.73 -4.68 113.70 115.73 1xf9 s SER 459 Ca 0.00 1.94 -0.31 0.00 0.48 0.00 0.00 55.95 58.06 1xf9 s SER 459 Cb 0.00 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.47 1xf9 s SER 459 CO 0.00 -1.67 1.61 0.28 0.98 0.00 0.00 173.24 174.44 1xf9 s THR 460 N -2.48 2.20 -0.33 2.02 -1.32 -1.26 -2.43 115.64 112.04 1xf9 s THR 460 Ca 0.65 0.16 0.00 0.00 -1.21 0.00 0.00 61.69 61.29 1xf9 s THR 460 Cb -0.19 -3.10 0.00 0.00 -1.51 0.00 0.00 72.50 67.70 1xf9 s THR 460 CO 0.44 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.48 1xf9 n GLY 461 N 2.86 0.45 1.29 6.08 0.00 -1.26 -4.95 105.19 109.66 1xf9 n GLY 461 Ca 0.11 -0.84 0.07 0.00 0.00 0.00 0.00 46.02 45.35 1xf9 n GLY 461 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xf9 n SER 462 N 1.41 3.76 0.00 1.61 3.41 -1.02 -4.71 113.62 118.08 1xf9 n SER 462 Ca -0.04 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.19 1xf9 n SER 462 Cb 0.30 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1xf9 n SER 462 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xf9 n GLY 463 N 0.84 0.57 0.39 5.00 0.00 -1.26 -2.94 105.19 107.79 1xf9 n GLY 463 Ca 0.19 -0.64 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 1xf9 n GLY 463 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xf9 h LYS 464 N 0.35 -0.83 -0.64 1.61 1.57 -1.91 -1.70 116.57 115.01 1xf9 h LYS 464 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1xf9 h LYS 464 Cb 0.00 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1xf9 h LYS 464 CO 0.00 -0.55 0.41 1.15 -0.57 0.00 0.00 179.45 179.88 1xf9 h THR 465 N -0.86 1.17 -0.88 -0.16 2.02 -2.00 -2.64 112.91 109.57 1xf9 h THR 465 Ca -0.06 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1xf9 h THR 465 Cb 0.71 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 1xf9 h THR 465 CO 0.05 0.18 0.48 0.28 0.37 0.00 0.00 175.52 176.88 1xf9 h SER 466 N 0.88 1.10 -0.59 4.18 0.02 -1.89 -2.21 113.55 115.03 1xf9 h SER 466 Ca 0.23 -0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1xf9 h SER 466 Cb -0.07 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.16 1xf9 h SER 466 CO -0.05 0.88 0.39 0.25 -1.14 0.00 0.00 176.83 177.16 1xf9 h LEU 467 N 1.23 0.59 -0.04 5.07 5.85 -0.93 0.03 115.31 127.12 1xf9 h LEU 467 Ca 0.31 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 1xf9 h LEU 467 Cb 0.02 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1xf9 h LEU 467 CO -0.05 0.40 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.34 1xf9 h LEU 468 N 0.68 0.10 -1.90 2.25 4.07 -1.41 -2.70 115.31 116.40 1xf9 h LEU 468 Ca 0.24 -0.52 0.17 0.00 0.08 0.00 0.00 57.88 57.85 1xf9 h LEU 468 Cb 0.10 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 41.78 1xf9 h LEU 468 CO -0.07 0.60 0.45 0.24 -1.08 0.00 0.00 178.44 178.58 1xf9 h MET 469 N -0.39 0.10 0.32 1.13 2.86 -0.91 0.75 114.93 118.78 1xf9 h MET 469 Ca 0.00 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1xf9 h MET 469 Cb 0.57 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1xf9 h MET 469 CO 0.01 0.06 -0.25 1.25 1.06 0.00 0.00 176.91 179.04 1xf9 h LEU 470 N 0.10 -0.66 -1.42 1.22 5.85 -0.68 0.15 115.31 119.87 1xf9 h LEU 470 Ca 0.31 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.05 1xf9 h LEU 470 Cb 1.07 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 1xf9 h LEU 470 CO -0.03 -0.38 0.13 0.40 -0.34 0.00 0.00 178.44 178.22 1xf9 h ILE 471 N -0.58 1.15 0.00 4.05 2.04 -0.79 0.12 117.51 123.50 1xf9 h ILE 471 Ca -0.02 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1xf9 h ILE 471 Cb 0.51 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1xf9 h ILE 471 CO -0.01 0.19 0.00 0.18 0.00 0.00 0.00 178.15 178.50 1xf9 n LEU 472 N -4.38 0.00 -1.28 1.44 4.77 0.05 -4.85 117.00 112.75 1xf9 n LEU 472 Ca 0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 1xf9 n LEU 472 Cb 0.15 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1xf9 n LEU 472 CO 0.37 0.00 -0.15 0.61 -1.33 0.00 0.00 177.39 176.89 1xf9 n GLY 473 N 0.47 0.59 0.00 -0.72 0.00 0.40 -4.87 105.19 101.07 1xf9 n GLY 473 Ca 0.17 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.94 1xf9 n GLY 473 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xf9 n GLU 474 N -2.44 0.03 -3.88 1.61 -0.58 0.41 -4.79 120.64 110.99 1xf9 n GLU 474 Ca -0.15 -0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.35 1xf9 n GLU 474 Cb 0.53 -1.51 -0.17 0.00 -0.57 0.00 0.00 31.44 29.72 1xf9 n GLU 474 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1xf9 s LEU 475 N -3.08 0.91 0.37 -4.62 2.96 -1.18 -4.95 118.68 109.07 1xf9 s LEU 475 Ca 0.09 -0.17 -0.24 0.00 -0.22 0.00 0.00 54.13 53.58 1xf9 s LEU 475 Cb 0.16 -0.60 -0.10 0.00 0.50 0.00 0.00 46.19 46.16 1xf9 s LEU 475 CO 0.80 -0.15 0.97 -1.83 -1.32 0.00 0.00 176.35 174.83 1xf9 s GLU 476 N 1.73 4.39 -0.47 1.98 1.03 -1.26 -4.50 118.70 121.60 1xf9 s GLU 476 Ca 0.03 1.33 -0.20 0.00 0.03 0.00 0.00 54.97 56.16 1xf9 s GLU 476 Cb -0.13 -2.59 0.04 0.00 -0.80 0.00 0.00 34.13 30.65 1xf9 s GLU 476 CO -0.06 0.10 0.65 0.00 -1.33 0.00 0.00 175.26 174.63 1xf9 s ALA 477 N -1.75 3.35 0.30 -0.84 0.00 -1.26 -4.41 121.76 117.15 1xf9 s ALA 477 Ca 0.55 -1.44 0.03 0.00 0.00 0.00 0.00 51.96 51.11 1xf9 s ALA 477 Cb -0.17 -3.35 0.48 0.00 0.00 0.00 0.00 23.12 20.08 1xf9 s ALA 477 CO 0.22 -1.92 1.77 0.77 0.00 0.00 0.00 175.76 176.61 1xf9 h SER 478 N 8.96 0.48 -4.93 0.00 0.02 -1.58 -3.45 113.55 113.04 1xf9 h SER 478 Ca -0.26 -0.14 -0.18 0.00 -0.84 0.00 0.00 61.79 60.37 1xf9 h SER 478 Cb 1.09 -0.13 -0.16 0.00 0.14 0.00 0.00 62.40 63.34 1xf9 h SER 478 CO 0.93 0.67 -0.69 -1.61 -1.14 0.00 0.00 176.83 174.99 1xf9 s GLU 479 N -4.65 0.65 0.00 3.45 2.02 -0.84 -4.99 118.70 114.33 1xf9 s GLU 479 Ca -0.07 -1.14 0.00 0.00 0.02 0.00 0.00 54.97 53.78 1xf9 s GLU 479 Cb 0.14 -0.00 0.00 0.00 0.10 0.00 0.00 34.13 34.37 1xf9 s GLU 479 CO 0.78 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.42 1xf9 n GLY 480 N 0.37 -1.02 3.58 -1.39 0.00 -0.98 -2.19 105.19 103.57 1xf9 n GLY 480 Ca -0.15 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 1xf9 n GLY 480 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xf9 s ILE 481 N -2.23 3.92 -0.24 -0.61 1.01 -0.45 -4.88 121.20 117.73 1xf9 s ILE 481 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1xf9 s ILE 481 Cb 0.00 -2.65 0.06 0.00 0.01 0.00 0.00 42.46 39.88 1xf9 s ILE 481 CO 0.00 0.57 -0.02 -0.51 0.00 0.00 0.00 174.94 174.98 1xf9 s ILE 482 N -0.48 1.32 -0.15 2.92 2.07 -1.26 -0.78 121.20 124.82 1xf9 s ILE 482 Ca 0.08 -1.14 -0.02 0.00 -1.41 0.00 0.00 60.65 58.16 1xf9 s ILE 482 Cb -0.12 -1.67 -0.02 0.00 0.13 0.00 0.00 42.46 40.78 1xf9 s ILE 482 CO 0.02 -0.18 -0.09 -0.54 -1.91 0.00 0.00 174.94 172.25 1xf9 s LYS 483 N 1.48 3.46 -0.21 3.50 1.02 0.08 -4.98 119.74 124.09 1xf9 s LYS 483 Ca -0.03 -0.63 -0.33 0.00 0.02 0.00 0.00 55.97 55.00 1xf9 s LYS 483 Cb -0.18 -2.78 0.15 0.00 -0.52 0.00 0.00 37.83 34.49 1xf9 s LYS 483 CO -0.08 0.14 1.22 -3.38 -0.92 0.00 0.00 175.35 172.33 1xf9 s HIS 484 N 0.58 -0.14 0.01 3.18 -3.43 -1.26 0.45 115.29 114.68 1xf9 s HIS 484 Ca -0.06 0.15 -0.14 0.00 -0.80 0.00 0.00 55.06 54.21 1xf9 s HIS 484 Cb -0.15 0.50 0.02 0.00 -1.43 0.00 0.00 32.58 31.52 1xf9 s HIS 484 CO 0.03 -0.18 0.31 -1.54 -2.00 0.00 0.00 174.74 171.36 1xf9 s SER 485 N -1.75 -0.16 0.00 7.38 1.04 -1.26 -5.02 113.70 113.92 1xf9 s SER 485 Ca 0.08 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1xf9 s SER 485 Cb -0.01 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1xf9 s SER 485 CO -0.05 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1xf9 n GLY 486 N 0.93 -1.82 3.78 7.32 0.00 -1.26 -3.38 105.19 110.76 1xf9 n GLY 486 Ca -0.20 -2.17 -0.36 0.00 0.00 0.00 0.00 46.02 43.29 1xf9 n GLY 486 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xf9 s ARG 487 N -0.49 4.14 0.02 1.61 0.52 -1.26 -4.90 118.95 118.60 1xf9 s ARG 487 Ca 0.00 1.51 0.06 0.00 -0.52 0.00 0.00 55.73 56.78 1xf9 s ARG 487 Cb 0.00 -2.52 -0.02 0.00 0.52 0.00 0.00 34.95 32.93 1xf9 s ARG 487 CO 0.00 -0.16 -0.17 0.54 0.02 0.00 0.00 175.30 175.53 1xf9 s VAL 488 N -1.67 1.37 -0.14 3.52 0.11 -1.26 -1.02 120.40 121.31 1xf9 s VAL 488 Ca 0.58 -0.96 -0.01 0.00 -2.93 0.00 0.00 61.98 58.65 1xf9 s VAL 488 Cb -0.22 -1.19 -0.02 0.00 -1.53 0.00 0.00 36.38 33.42 1xf9 s VAL 488 CO 0.27 0.20 -0.10 -0.55 -3.33 0.00 0.00 175.10 171.60 1xf9 s SER 489 N -0.88 4.22 -0.11 3.54 0.15 0.32 -4.97 113.70 115.97 1xf9 s SER 489 Ca 0.05 -0.29 0.03 0.00 0.70 0.00 0.00 55.95 56.44 1xf9 s SER 489 Cb -0.08 -1.66 -0.00 0.00 -1.71 0.00 0.00 66.02 62.57 1xf9 s SER 489 CO 0.01 0.15 -0.20 0.12 1.20 0.00 0.00 173.24 174.51 1xf9 s PHE 490 N 0.46 2.65 -0.34 3.44 5.36 -1.26 0.46 117.98 128.75 1xf9 s PHE 490 Ca -0.08 -0.94 0.02 0.00 -0.96 0.00 0.00 56.93 54.98 1xf9 s PHE 490 Cb -0.15 -1.76 0.10 0.00 -0.34 0.00 0.00 43.02 40.86 1xf9 s PHE 490 CO 0.04 -0.37 0.06 0.00 -1.46 0.00 0.00 175.22 173.49 1xf9 s SER 492 N 1.13 4.73 0.50 0.00 1.04 -1.26 -1.74 113.70 118.08 1xf9 s SER 492 Ca 0.07 1.85 0.19 0.00 0.48 0.00 0.00 55.95 58.55 1xf9 s SER 492 Cb -0.20 -2.53 1.26 0.00 0.10 0.00 0.00 66.02 64.65 1xf9 s SER 492 CO -0.07 -1.89 2.08 -0.61 0.98 0.00 0.00 173.24 173.74 1xf9 h GLN 493 N -0.80 0.00 -5.55 4.02 4.15 -1.90 -3.37 115.11 111.66 1xf9 h GLN 493 Ca -0.44 0.00 -0.62 0.00 0.77 0.00 0.00 58.65 58.36 1xf9 h GLN 493 Cb 1.23 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 28.80 1xf9 h GLN 493 CO 0.52 0.10 0.19 0.12 -1.93 0.00 0.00 178.83 177.84 1xf9 s PHE 494 N -4.68 3.18 -0.46 3.99 5.36 -1.26 -4.97 117.98 119.14 1xf9 s PHE 494 Ca -0.04 0.52 -0.29 0.00 -0.96 0.00 0.00 56.93 56.16 1xf9 s PHE 494 Cb 0.16 -3.10 0.03 0.00 -0.34 0.00 0.00 43.02 39.76 1xf9 s PHE 494 CO 0.65 -0.56 1.14 -1.12 -1.46 0.00 0.00 175.22 173.87 1xf9 s SER 495 N 1.71 6.65 -0.06 6.13 0.01 -1.26 -5.01 113.70 121.88 1xf9 s SER 495 Ca 0.26 0.54 -0.04 0.00 1.31 0.00 0.00 55.95 58.02 1xf9 s SER 495 Cb -0.14 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 1xf9 s SER 495 CO 0.13 -1.22 0.14 -1.66 0.41 0.00 0.00 173.24 171.04 1xf9 s TRP 496 N 4.41 3.52 -0.15 2.43 1.48 -1.26 -4.95 118.94 124.42 1xf9 s TRP 496 Ca 0.48 0.40 0.01 0.00 -1.06 0.00 0.00 56.10 55.93 1xf9 s TRP 496 Cb -0.08 -1.86 0.02 0.00 -1.16 0.00 0.00 33.47 30.39 1xf9 s TRP 496 CO 0.30 0.67 -0.15 0.42 -4.06 0.00 0.00 176.95 174.13 1xf9 s ILE 497 N -1.16 1.60 0.34 0.66 -1.09 -1.26 -4.79 121.20 115.51 1xf9 s ILE 497 Ca 0.21 -0.66 -0.01 0.00 -2.23 0.00 0.00 60.65 57.95 1xf9 s ILE 497 Cb -0.12 -1.49 -0.04 0.00 -1.58 0.00 0.00 42.46 39.23 1xf9 s ILE 497 CO 0.11 0.46 0.57 0.00 -1.23 0.00 0.00 174.94 174.85 1xf9 s MET 498 N 1.40 3.53 0.32 2.79 0.23 -1.26 -1.08 119.30 125.23 1xf9 s MET 498 Ca 0.03 -0.20 -0.29 0.00 -1.03 0.00 0.00 55.69 54.20 1xf9 s MET 498 Cb -0.13 -2.64 -0.11 0.00 -1.53 0.00 0.00 34.83 30.42 1xf9 s MET 498 CO -0.10 0.14 1.52 -2.14 -2.03 0.00 0.00 175.02 172.41 1xf9 s PRO 499 N -4.13 4.15 0.00 3.16 0.02 -1.26 -4.62 135.00 132.31 1xf9 s PRO 499 Ca 0.42 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.96 1xf9 s PRO 499 Cb -0.10 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1xf9 s PRO 499 CO 0.35 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 1xf9 n GLY 500 N 1.46 0.29 3.89 0.52 0.00 -0.94 -4.95 105.19 105.45 1xf9 n GLY 500 Ca 0.05 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 1xf9 n GLY 500 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xf9 s THR 501 N -2.10 3.77 0.32 2.61 -4.23 -1.26 0.86 115.64 115.61 1xf9 s THR 501 Ca 0.00 0.43 0.02 0.00 -1.18 0.00 0.00 61.69 60.96 1xf9 s THR 501 Cb 0.00 -3.55 0.29 0.00 1.34 0.00 0.00 72.50 70.58 1xf9 s THR 501 CO 0.00 -0.68 1.91 0.40 -0.54 0.00 0.00 174.62 175.71 1xf9 h ILE 502 N -0.47 1.03 -0.21 2.99 2.04 -1.15 0.13 117.51 121.88 1xf9 h ILE 502 Ca -0.45 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.00 1xf9 h ILE 502 Cb 1.24 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1xf9 h ILE 502 CO 0.63 0.17 -0.20 0.50 0.00 0.00 0.00 178.15 179.25 1xf9 h LYS 503 N 0.95 0.51 -0.61 2.37 3.64 -1.61 -2.41 116.57 119.41 1xf9 h LYS 503 Ca 0.38 -0.26 0.06 0.00 -1.27 0.00 0.00 60.65 59.56 1xf9 h LYS 503 Cb 0.26 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 1xf9 h LYS 503 CO -0.15 0.84 0.33 0.93 -2.27 0.00 0.00 179.45 179.13 1xf9 h GLU 504 N 0.19 0.59 -0.78 1.90 5.08 -1.63 -0.58 114.58 119.35 1xf9 h GLU 504 Ca 0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xf9 h GLU 504 Cb 0.74 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 1xf9 h GLU 504 CO 0.05 0.39 0.50 -0.91 -1.00 0.00 0.00 179.01 178.05 1xf9 h ASN 505 N 0.61 0.91 -0.09 1.42 2.35 -0.65 0.60 115.58 120.73 1xf9 h ASN 505 Ca 0.27 -0.03 -0.22 0.00 -0.55 0.00 0.00 56.30 55.77 1xf9 h ASN 505 Cb 0.18 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.33 1xf9 h ASN 505 CO -0.18 0.67 -0.81 0.40 -1.65 0.00 0.00 177.43 175.86 1xf9 h ILE 506 N 1.06 1.30 0.20 2.81 2.04 -0.81 -3.33 117.51 120.80 1xf9 h ILE 506 Ca 0.28 -2.04 -0.32 0.00 1.00 0.00 0.00 64.86 63.79 1xf9 h ILE 506 Cb -0.10 2.18 0.02 0.00 -0.74 0.00 0.00 36.82 38.18 1xf9 h ILE 506 CO -0.06 0.63 -1.43 0.40 0.00 0.00 0.00 178.15 177.69 1xf9 h ILE 507 N 0.38 1.32 0.00 -0.67 2.04 -0.99 -3.38 117.51 116.21 1xf9 h ILE 507 Ca -0.08 -2.81 0.00 0.00 1.00 0.00 0.00 64.86 62.97 1xf9 h ILE 507 Cb 1.45 2.98 0.00 0.00 -0.74 0.00 0.00 36.82 40.51 1xf9 h ILE 507 CO 0.16 0.84 0.00 -1.20 0.00 0.00 0.00 178.15 177.95 1xf9 n SER 508 N -3.63 0.00 -1.85 1.72 7.64 0.21 -1.96 113.62 115.75 1xf9 n SER 508 Ca -0.15 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.52 1xf9 n SER 508 Cb 1.08 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 64.38 1xf9 n SER 508 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xf9 n GLY 509 N 0.00 5.70 3.46 0.23 0.00 -1.26 -4.99 105.19 108.32 1xf9 n GLY 509 Ca 0.00 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 1xf9 n GLY 509 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xf9 s VAL 510 N -4.18 2.73 0.24 1.61 1.01 -0.83 -5.09 120.40 115.90 1xf9 s VAL 510 Ca 0.53 -1.36 -0.31 0.00 0.00 0.00 0.00 61.98 60.84 1xf9 s VAL 510 Cb 0.44 -2.19 -0.14 0.00 0.00 0.00 0.00 36.38 34.50 1xf9 s VAL 510 CO 0.01 0.23 1.32 -1.54 0.00 0.00 0.00 175.10 175.13 1xf9 n SER 511 N 1.23 2.41 -4.74 3.32 3.41 -1.26 -4.91 113.62 113.07 1xf9 n SER 511 Ca -0.16 1.15 -0.40 0.00 -0.26 0.00 0.00 58.87 59.20 1xf9 n SER 511 Cb 0.52 -1.39 -0.05 0.00 -0.26 0.00 0.00 64.21 63.04 1xf9 n SER 511 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1xf9 s TYR 512 N -0.27 3.82 -0.14 7.33 5.04 -1.26 -5.03 117.35 126.83 1xf9 s TYR 512 Ca 0.67 1.69 -0.04 0.00 -2.44 0.00 0.00 57.07 56.94 1xf9 s TYR 512 Cb -0.68 -2.94 0.05 0.00 0.35 0.00 0.00 41.96 38.75 1xf9 s TYR 512 CO 0.52 0.29 0.09 0.34 -1.34 0.00 0.00 175.55 175.46 1xf9 s ASP 513 N -0.27 1.97 0.26 4.32 -1.08 -1.26 -5.05 116.67 115.55 1xf9 s ASP 513 Ca 0.42 -0.41 -0.05 0.00 -0.52 0.00 0.00 52.55 52.00 1xf9 s ASP 513 Cb -0.23 -0.17 0.31 0.00 -1.46 0.00 0.00 42.92 41.38 1xf9 s ASP 513 CO 0.27 -0.32 1.90 -0.08 0.52 0.00 0.00 175.17 177.46 1xf9 h GLU 514 N 8.42 1.16 -0.21 4.34 4.81 -1.99 -0.20 114.58 130.92 1xf9 h GLU 514 Ca -0.14 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 58.84 1xf9 h GLU 514 Cb 1.14 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1xf9 h GLU 514 CO 0.25 0.83 -0.40 1.88 -0.73 0.00 0.00 179.01 180.85 1xf9 h TYR 515 N 1.18 0.56 -0.01 0.92 0.05 -1.98 0.48 116.97 118.16 1xf9 h TYR 515 Ca 0.30 -0.16 -0.00 0.00 0.05 0.00 0.00 58.73 58.92 1xf9 h TYR 515 Cb -0.01 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 37.61 1xf9 h TYR 515 CO 0.01 0.80 -0.00 -0.09 -1.05 0.00 0.00 178.16 177.83 1xf9 h ARG 516 N 0.39 0.02 -0.05 4.88 2.43 -1.92 -0.56 114.38 119.57 1xf9 h ARG 516 Ca 0.04 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1xf9 h ARG 516 Cb 0.87 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.37 1xf9 h ARG 516 CO 0.07 0.36 -0.27 -0.92 -1.51 0.00 0.00 179.97 177.70 1xf9 h TYR 517 N -0.33 -0.71 -0.46 2.20 3.20 -0.80 0.59 116.97 120.66 1xf9 h TYR 517 Ca 0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1xf9 h TYR 517 Cb 0.35 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 1xf9 h TYR 517 CO 0.04 -0.35 0.27 0.87 -1.64 0.00 0.00 178.16 177.35 1xf9 h LYS 518 N -0.38 0.62 -0.42 1.82 1.57 -0.88 -0.37 116.57 118.52 1xf9 h LYS 518 Ca 0.08 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1xf9 h LYS 518 Cb 0.49 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1xf9 h LYS 518 CO -0.27 0.44 -0.01 1.03 -0.57 0.00 0.00 179.45 180.08 1xf9 h SER 519 N 0.63 0.74 -0.14 0.86 0.87 -0.12 -2.03 113.55 114.36 1xf9 h SER 519 Ca 0.17 -0.31 -0.04 0.00 -1.23 0.00 0.00 61.79 60.38 1xf9 h SER 519 Cb -0.01 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1xf9 h SER 519 CO -0.03 0.87 -0.05 0.58 -0.53 0.00 0.00 176.83 177.67 1xf9 h VAL 520 N 0.59 1.30 -0.42 2.23 2.07 -0.07 -1.97 116.25 119.98 1xf9 h VAL 520 Ca 0.12 -1.06 0.07 0.00 0.82 0.00 0.00 66.70 66.65 1xf9 h VAL 520 Cb 0.50 1.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 1xf9 h VAL 520 CO 0.02 0.31 0.07 0.58 0.02 0.00 0.00 177.57 178.57 1xf9 h VAL 521 N -0.04 0.76 -0.36 2.57 2.07 -1.08 -1.13 116.25 119.04 1xf9 h VAL 521 Ca 0.03 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1xf9 h VAL 521 Cb 0.50 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1xf9 h VAL 521 CO 0.02 0.03 0.20 0.50 0.02 0.00 0.00 177.57 178.34 1xf9 h LYS 522 N 0.19 0.50 -0.14 1.57 3.64 -1.30 -0.99 116.57 120.05 1xf9 h LYS 522 Ca 0.20 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1xf9 h LYS 522 Cb 0.26 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1xf9 h LYS 522 CO -0.28 0.41 -0.14 0.00 -2.27 0.00 0.00 179.45 177.17 1xf9 h ALA 523 N 1.06 1.51 -0.32 5.00 0.00 -1.08 -1.90 119.26 123.54 1xf9 h ALA 523 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xf9 h ALA 523 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xf9 h ALA 523 CO -0.02 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1xf9 n GLN 525 N 0.42 -4.04 0.00 0.00 1.13 -0.71 -4.85 117.38 109.33 1xf9 n GLN 525 Ca 0.12 0.59 0.13 0.00 -1.94 0.00 0.00 57.00 55.90 1xf9 n GLN 525 Cb 0.49 -5.36 0.36 0.00 0.11 0.00 0.00 30.24 25.84 1xf9 n GLN 525 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1xf9 n LEU 526 N -3.95 0.36 -0.21 1.08 4.77 -0.41 -3.92 117.00 114.72 1xf9 n LEU 526 Ca -0.03 0.15 -0.09 0.00 -0.03 0.00 0.00 56.01 56.01 1xf9 n LEU 526 Cb 0.56 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 41.35 1xf9 n LEU 526 CO 0.55 0.09 0.86 -0.61 -1.33 0.00 0.00 177.39 176.94 1xf9 h GLN 527 N 0.01 1.02 -0.08 3.23 4.15 -1.88 -0.62 115.11 120.95 1xf9 h GLN 527 Ca 0.00 -0.29 0.02 0.00 0.77 0.00 0.00 58.65 59.15 1xf9 h GLN 527 Cb 0.50 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 1xf9 h GLN 527 CO 0.00 0.98 0.07 1.96 -1.93 0.00 0.00 178.83 179.90 1xf9 h GLN 528 N 0.92 0.00 0.00 1.69 7.50 -1.95 -2.28 115.11 120.99 1xf9 h GLN 528 Ca 0.18 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.23 1xf9 h GLN 528 Cb 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.99 1xf9 h GLN 528 CO 0.02 0.00 -0.70 -0.44 -1.50 0.00 0.00 178.83 176.21 1xf9 h ASP 529 N 0.00 0.00 0.14 1.46 3.32 -1.57 -3.39 116.42 116.38 1xf9 h ASP 529 Ca 0.04 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 1xf9 h ASP 529 Cb 0.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1xf9 h ASP 529 CO -0.00 1.05 -0.06 0.16 -1.72 0.00 0.00 179.24 178.67 1xf9 h ILE 530 N -1.00 0.64 0.00 0.35 3.07 -1.14 -1.04 117.51 118.39 1xf9 h ILE 530 Ca -0.14 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 66.03 1xf9 h ILE 530 Cb 0.82 1.15 0.00 0.00 -0.27 0.00 0.00 36.82 38.52 1xf9 h ILE 530 CO -0.09 0.06 0.00 1.07 -1.05 0.00 0.00 178.15 178.14 1xf9 n THR 531 N -3.88 1.02 1.02 0.16 5.66 -0.86 -1.66 114.28 115.73 1xf9 n THR 531 Ca -0.03 0.27 0.12 0.00 -3.05 0.00 0.00 64.05 61.37 1xf9 n THR 531 Cb 0.15 -1.09 0.24 0.00 -1.55 0.00 0.00 70.33 68.08 1xf9 n THR 531 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1xf9 n LYS 532 N -1.71 0.07 -4.17 1.09 5.02 -0.39 -4.89 118.16 113.17 1xf9 n LYS 532 Ca 0.03 -0.04 -0.36 0.00 -2.02 0.00 0.00 58.31 55.92 1xf9 n LYS 532 Cb 0.17 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.60 1xf9 n LYS 532 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1xf9 s PHE 533 N -2.96 3.34 0.16 2.13 0.08 -0.66 -5.03 117.98 115.03 1xf9 s PHE 533 Ca 0.12 0.33 -0.21 0.00 0.12 0.00 0.00 56.93 57.28 1xf9 s PHE 533 Cb 0.18 -1.85 0.06 0.00 -0.57 0.00 0.00 43.02 40.84 1xf9 s PHE 533 CO 0.69 0.58 1.62 0.00 -0.10 0.00 0.00 175.22 178.02 1xf9 h ALA 534 N 5.05 -0.06 -0.37 5.36 0.00 -1.90 -1.23 119.26 126.11 1xf9 h ALA 534 Ca -0.52 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1xf9 h ALA 534 Cb 1.21 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1xf9 h ALA 534 CO 0.56 -0.64 0.02 0.39 0.00 0.00 0.00 179.25 179.58 1xf9 n GLU 535 N -5.39 3.35 0.00 0.00 -0.58 -1.26 -5.01 120.64 111.75 1xf9 n GLU 535 Ca 0.01 -1.96 0.00 0.00 -0.42 0.00 0.00 57.16 54.79 1xf9 n GLU 535 Cb 0.30 -1.97 0.00 0.00 -0.57 0.00 0.00 31.44 29.20 1xf9 n GLU 535 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1xf9 n GLN 536 N 0.34 0.00 -0.00 3.49 1.13 -0.47 -0.37 117.38 121.51 1xf9 n GLN 536 Ca 0.18 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.37 1xf9 n GLN 536 Cb 0.86 0.00 0.74 0.00 0.11 0.00 0.00 30.24 31.96 1xf9 n GLN 536 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1xf9 n ASP 537 N 2.91 0.01 -1.21 1.08 5.75 -1.26 -2.25 116.55 121.57 1xf9 n ASP 537 Ca 0.00 -1.22 0.08 0.00 -0.01 0.00 0.00 54.79 53.65 1xf9 n ASP 537 Cb 0.00 -0.00 0.27 0.00 -1.03 0.00 0.00 41.12 40.36 1xf9 n ASP 537 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1xf9 n ASN 538 N -0.89 3.54 -4.72 -1.12 3.02 0.50 -1.61 115.26 113.99 1xf9 n ASN 538 Ca 0.19 -2.19 -0.42 0.00 -0.03 0.00 0.00 54.58 52.13 1xf9 n ASN 538 Cb 0.09 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.77 1xf9 n ASN 538 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xf9 s THR 539 N -1.51 3.34 -0.03 3.41 2.01 -0.96 -4.81 115.64 117.09 1xf9 s THR 539 Ca 0.40 0.96 -0.28 0.00 0.31 0.00 0.00 61.69 63.09 1xf9 s THR 539 Cb 0.24 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 1xf9 s THR 539 CO 0.23 0.07 0.89 -0.69 -0.69 0.00 0.00 174.62 174.44 1xf9 s VAL 540 N 1.11 4.92 0.20 3.82 1.01 -1.26 -1.88 120.40 128.32 1xf9 s VAL 540 Ca 0.64 1.86 0.07 0.00 0.00 0.00 0.00 61.98 64.55 1xf9 s VAL 540 Cb -0.36 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 1xf9 s VAL 540 CO 0.30 0.17 0.11 -0.76 0.00 0.00 0.00 175.10 174.92 1xf9 s LEU 541 N 1.05 3.62 0.27 3.92 1.43 0.25 -4.95 118.68 124.28 1xf9 s LEU 541 Ca 0.47 -0.29 0.07 0.00 -1.03 0.00 0.00 54.13 53.35 1xf9 s LEU 541 Cb -0.20 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 1xf9 s LEU 541 CO 0.24 0.03 0.28 -0.83 0.23 0.00 0.00 176.35 176.30 1xf9 s GLY 542 N -3.35 1.46 -0.11 -3.19 0.00 -1.26 -2.22 107.32 98.65 1xf9 s GLY 542 Ca 0.31 -1.43 -0.40 0.00 0.00 0.00 0.00 44.72 43.20 1xf9 s GLY 542 CO 0.22 -1.43 1.37 -2.21 0.00 0.00 0.00 173.10 171.06 1xf9 n GLU 543 N -1.32 0.59 0.00 2.90 4.07 -1.26 0.54 120.64 126.16 1xf9 n GLU 543 Ca -0.06 0.21 0.00 0.00 -0.06 0.00 0.00 57.16 57.25 1xf9 n GLU 543 Cb 0.58 -1.80 0.00 0.00 -0.06 0.00 0.00 31.44 30.17 1xf9 n GLU 543 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xf9 n GLY 544 N 2.76 3.00 3.93 8.31 0.00 -0.24 -4.39 105.19 118.56 1xf9 n GLY 544 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 1xf9 n GLY 544 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xf9 n GLY 545 N -2.00 -0.35 0.32 -0.02 0.00 0.19 -4.67 105.19 98.67 1xf9 n GLY 545 Ca 0.00 0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.27 1xf9 n GLY 545 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xf9 h VAL 546 N -1.87 0.85 0.00 1.61 2.07 -1.79 -2.66 116.25 114.46 1xf9 h VAL 546 Ca -0.64 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1xf9 h VAL 546 Cb 1.38 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1xf9 h VAL 546 CO 0.60 0.15 0.00 0.35 0.02 0.00 0.00 177.57 178.69 1xf9 n THR 547 N -4.74 0.12 -1.24 2.57 -2.24 -1.26 -4.81 114.28 102.67 1xf9 n THR 547 Ca 0.16 -0.04 -0.29 0.00 -2.27 0.00 0.00 64.05 61.61 1xf9 n THR 547 Cb 0.35 -0.53 0.17 0.00 -2.10 0.00 0.00 70.33 68.23 1xf9 n THR 547 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xf9 s LEU 548 N -3.27 1.67 0.65 3.22 1.02 -1.01 -5.05 118.68 115.90 1xf9 s LEU 548 Ca 0.13 1.14 -0.01 0.00 0.02 0.00 0.00 54.13 55.41 1xf9 s LEU 548 Cb 0.18 -3.35 0.08 0.00 0.02 0.00 0.00 46.19 43.12 1xf9 s LEU 548 CO 0.54 -3.03 0.91 -0.94 0.02 0.00 0.00 176.35 173.84 1xf9 s SER 549 N -3.57 4.79 0.21 2.29 1.04 -1.26 -4.94 113.70 112.25 1xf9 s SER 549 Ca 0.65 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.98 1xf9 s SER 549 Cb -0.18 -0.53 0.16 0.00 0.10 0.00 0.00 66.02 65.58 1xf9 s SER 549 CO 0.57 -1.53 1.52 1.23 0.98 0.00 0.00 173.24 176.01 1xf9 h GLY 550 N -0.29 0.45 0.96 7.32 0.00 -1.96 -2.24 103.07 107.31 1xf9 h GLY 550 Ca -0.40 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.35 1xf9 h GLY 550 CO 0.48 0.49 0.17 -1.33 0.00 0.00 0.00 176.54 176.35 1xf9 h GLY 551 N 1.24 0.79 0.99 4.60 0.00 -1.96 -1.31 103.07 107.41 1xf9 h GLY 551 Ca -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1xf9 h GLY 551 CO 0.10 0.42 0.26 1.46 0.00 0.00 0.00 176.54 178.79 1xf9 h GLN 552 N 0.64 0.60 -0.44 4.80 4.20 -1.91 0.63 115.11 123.63 1xf9 h GLN 552 Ca 0.16 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 1xf9 h GLN 552 Cb 0.24 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1xf9 h GLN 552 CO -0.01 0.44 -0.07 0.00 -0.67 0.00 0.00 178.83 178.52 1xf9 h ARG 553 N 0.58 0.77 -0.31 1.46 3.08 -1.29 -0.66 114.38 118.02 1xf9 h ARG 553 Ca 0.16 -0.24 -0.14 0.00 0.07 0.00 0.00 59.98 59.83 1xf9 h ARG 553 Cb -0.00 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1xf9 h ARG 553 CO -0.03 0.83 -0.34 0.00 -1.07 0.00 0.00 179.97 179.37 1xf9 h ALA 554 N 1.21 0.46 -0.66 0.04 0.00 -0.83 -0.28 119.26 119.20 1xf9 h ALA 554 Ca 0.13 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1xf9 h ALA 554 Cb 0.54 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1xf9 h ALA 554 CO 0.03 0.52 0.27 0.00 0.00 0.00 0.00 179.25 180.07 1xf9 h ARG 555 N 0.55 0.98 -0.74 0.00 3.08 -0.67 0.40 114.38 117.99 1xf9 h ARG 555 Ca 0.05 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1xf9 h ARG 555 Cb 0.92 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 1xf9 h ARG 555 CO 0.08 0.82 0.32 0.82 -1.07 0.00 0.00 179.97 180.93 1xf9 h ILE 556 N 0.93 1.25 -0.51 2.04 2.04 -0.96 0.13 117.51 122.42 1xf9 h ILE 556 Ca 0.22 -0.75 -0.12 0.00 1.00 0.00 0.00 64.86 65.21 1xf9 h ILE 556 Cb 0.19 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1xf9 h ILE 556 CO -0.02 0.31 -0.15 -1.28 0.00 0.00 0.00 178.15 177.01 1xf9 h SER 557 N 1.05 1.01 0.03 1.72 0.87 -0.64 -1.77 113.55 115.82 1xf9 h SER 557 Ca 0.25 -0.35 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1xf9 h SER 557 Cb 0.18 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1xf9 h SER 557 CO -0.02 1.14 -0.01 0.25 -0.53 0.00 0.00 176.83 177.65 1xf9 h LEU 558 N 0.88 -0.04 -0.72 2.23 5.85 0.14 -2.94 115.31 120.72 1xf9 h LEU 558 Ca 0.13 -0.22 0.14 0.00 0.84 0.00 0.00 57.88 58.77 1xf9 h LEU 558 Cb 0.72 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.66 1xf9 h LEU 558 CO 0.06 0.20 0.22 0.00 -0.34 0.00 0.00 178.44 178.58 1xf9 h ALA 559 N 0.69 0.95 -0.69 1.25 0.00 -0.64 0.39 119.26 121.21 1xf9 h ALA 559 Ca -0.00 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1xf9 h ALA 559 Cb 0.25 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1xf9 h ALA 559 CO 0.01 -0.28 0.38 -0.09 0.00 0.00 0.00 179.25 179.27 1xf9 h ARG 560 N 0.34 0.68 -0.19 0.00 2.43 -1.17 0.91 114.38 117.39 1xf9 h ARG 560 Ca 0.39 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.33 1xf9 h ARG 560 Cb 0.63 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1xf9 h ARG 560 CO -0.44 0.45 -0.64 0.00 -1.51 0.00 0.00 179.97 177.83 1xf9 h ALA 561 N 1.36 0.33 0.00 2.80 0.00 -1.05 -3.03 119.26 119.67 1xf9 h ALA 561 Ca 0.31 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1xf9 h ALA 561 Cb 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xf9 h ALA 561 CO -0.19 0.61 -0.20 0.28 0.00 0.00 0.00 179.25 179.76 1xf9 h VAL 562 N 0.49 0.50 -0.02 0.00 2.07 -0.65 -3.10 116.25 115.54 1xf9 h VAL 562 Ca -0.03 -1.02 -0.23 0.00 0.82 0.00 0.00 66.70 66.25 1xf9 h VAL 562 Cb 1.26 1.71 0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1xf9 h VAL 562 CO 0.14 0.19 -0.92 0.22 0.02 0.00 0.00 177.57 177.22 1xf9 h TYR 563 N 0.00 0.73 -3.16 1.57 3.20 -0.78 -3.44 116.97 115.09 1xf9 h TYR 563 Ca -0.00 -0.38 -0.53 0.00 3.14 0.00 0.00 58.73 60.96 1xf9 h TYR 563 Cb 0.70 -0.09 0.05 0.00 1.54 0.00 0.00 36.73 38.93 1xf9 h TYR 563 CO 0.00 1.20 0.82 0.21 -1.64 0.00 0.00 178.16 178.75 1xf9 s LYS 564 N -3.37 4.23 -0.42 1.82 2.20 -1.15 -4.93 119.74 118.13 1xf9 s LYS 564 Ca -0.07 2.35 -0.26 0.00 -0.36 0.00 0.00 55.97 57.63 1xf9 s LYS 564 Cb 0.09 -3.12 0.02 0.00 -1.51 0.00 0.00 37.83 33.31 1xf9 s LYS 564 CO 0.88 -0.51 0.94 0.34 -0.36 0.00 0.00 175.35 176.64 1xf9 s ASP 565 N 0.68 6.60 0.19 1.43 2.15 -1.26 -4.97 116.67 121.49 1xf9 s ASP 565 Ca 0.64 0.38 -0.02 0.00 0.43 0.00 0.00 52.55 53.97 1xf9 s ASP 565 Cb -0.43 -2.46 -0.04 0.00 -0.30 0.00 0.00 42.92 39.69 1xf9 s ASP 565 CO 0.39 -0.97 0.15 0.00 -0.17 0.00 0.00 175.17 174.57 1xf9 s ALA 566 N 3.67 0.94 -0.01 3.66 0.00 -1.26 -4.97 121.76 123.79 1xf9 s ALA 566 Ca 0.38 -1.55 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 1xf9 s ALA 566 Cb -0.11 1.24 -0.27 0.00 0.00 0.00 0.00 23.12 23.98 1xf9 s ALA 566 CO 0.23 -0.59 0.81 -0.44 0.00 0.00 0.00 175.76 175.77 1xf9 h ASP 567 N 2.64 0.32 -3.48 0.00 3.32 -1.42 -3.46 116.42 114.34 1xf9 h ASP 567 Ca -0.35 -0.48 -0.52 0.00 0.02 0.00 0.00 57.03 55.71 1xf9 h ASP 567 Cb 1.24 -0.10 -0.33 0.00 0.22 0.00 0.00 39.33 40.35 1xf9 h ASP 567 CO 0.53 1.40 -0.82 -0.22 -1.72 0.00 0.00 179.24 178.41 1xf9 s LEU 568 N -6.86 1.69 -0.21 1.55 2.96 -1.03 -3.91 118.68 112.86 1xf9 s LEU 568 Ca -0.09 -0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 53.47 1xf9 s LEU 568 Cb 0.07 -0.84 -0.02 0.00 0.50 0.00 0.00 46.19 45.91 1xf9 s LEU 568 CO 0.84 0.05 -0.02 -0.31 -1.32 0.00 0.00 176.35 175.59 1xf9 s TYR 569 N 0.58 3.00 -0.36 5.38 1.51 -0.68 -0.52 117.35 126.25 1xf9 s TYR 569 Ca -0.13 -0.69 -0.09 0.00 -1.01 0.00 0.00 57.07 55.15 1xf9 s TYR 569 Cb -0.15 -2.11 0.03 0.00 -0.11 0.00 0.00 41.96 39.62 1xf9 s TYR 569 CO 0.04 -0.40 0.17 -0.51 -1.11 0.00 0.00 175.55 173.73 1xf9 s LEU 570 N 1.29 4.56 -0.42 -1.29 1.43 0.17 -0.90 118.68 123.53 1xf9 s LEU 570 Ca 0.04 -1.03 -0.06 0.00 -1.03 0.00 0.00 54.13 52.04 1xf9 s LEU 570 Cb -0.14 -1.97 0.10 0.00 0.03 0.00 0.00 46.19 44.20 1xf9 s LEU 570 CO -0.00 -0.36 0.24 -0.76 0.23 0.00 0.00 176.35 175.70 1xf9 s LEU 571 N 1.50 5.23 -0.70 1.79 1.02 0.14 -0.56 118.68 127.10 1xf9 s LEU 571 Ca 0.01 -1.78 -0.18 0.00 0.02 0.00 0.00 54.13 52.20 1xf9 s LEU 571 Cb -0.19 -1.91 0.13 0.00 0.02 0.00 0.00 46.19 44.23 1xf9 s LEU 571 CO 0.05 -0.56 0.80 -0.62 0.02 0.00 0.00 176.35 176.05 1xf9 s ASP 572 N 2.09 6.36 -1.36 2.29 -1.08 -0.71 -0.81 116.67 123.44 1xf9 s ASP 572 Ca 0.05 -1.75 -0.06 0.00 -0.52 0.00 0.00 52.55 50.27 1xf9 s ASP 572 Cb -0.23 -2.31 0.03 0.00 -1.46 0.00 0.00 42.92 38.94 1xf9 s ASP 572 CO -0.01 -1.03 0.93 -1.20 0.52 0.00 0.00 175.17 174.38 1xf9 n SER 573 N 6.02 -3.33 0.20 -0.34 7.64 -0.75 -3.27 113.62 119.79 1xf9 n SER 573 Ca 0.01 -0.72 0.06 0.00 1.01 0.00 0.00 58.87 59.22 1xf9 n SER 573 Cb 0.44 -4.38 0.40 0.00 -1.01 0.00 0.00 64.21 59.67 1xf9 n SER 573 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1xf9 h PRO 574 N -2.10 0.00 -3.63 1.43 0.13 -1.84 -3.37 132.00 122.63 1xf9 h PRO 574 Ca -0.59 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 63.76 1xf9 h PRO 574 Cb 1.36 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.27 1xf9 h PRO 574 CO 0.58 0.34 1.24 1.19 -0.23 0.00 0.00 178.00 181.12 1xf9 n PHE 575 N -3.71 3.65 -1.71 1.56 3.72 -1.26 -4.62 117.46 115.09 1xf9 n PHE 575 Ca -0.01 -3.07 0.04 0.00 -0.05 0.00 0.00 57.45 54.36 1xf9 n PHE 575 Cb 0.44 -1.76 0.06 0.00 -0.94 0.00 0.00 39.48 37.27 1xf9 n PHE 575 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xf9 n GLY 576 N 2.65 2.18 3.93 1.37 0.00 -1.26 -4.85 105.19 109.20 1xf9 n GLY 576 Ca 0.32 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 1xf9 n GLY 576 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xf9 s TYR 577 N -1.09 1.55 0.29 1.61 1.51 -1.26 -4.39 117.35 115.58 1xf9 s TYR 577 Ca 0.14 -0.82 0.08 0.00 -1.01 0.00 0.00 57.07 55.46 1xf9 s TYR 577 Cb 0.13 -1.97 0.45 0.00 -0.11 0.00 0.00 41.96 40.46 1xf9 s TYR 577 CO -0.00 -0.63 1.68 -0.07 -1.11 0.00 0.00 175.55 175.42 1xf9 h LEU 578 N 0.62 0.14 -5.77 -1.29 3.38 -1.99 -3.34 115.31 107.06 1xf9 h LEU 578 Ca -0.35 -0.06 -0.61 0.00 0.09 0.00 0.00 57.88 56.94 1xf9 h LEU 578 Cb 1.30 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 42.02 1xf9 h LEU 578 CO 0.54 0.61 2.97 -0.90 0.09 0.00 0.00 178.44 181.75 1xf9 n ASP 579 N -3.95 4.85 0.09 -0.43 5.75 -1.26 -4.64 116.55 116.95 1xf9 n ASP 579 Ca -0.02 -2.62 0.10 0.00 -0.01 0.00 0.00 54.79 52.24 1xf9 n ASP 579 Cb 0.52 -1.37 0.58 0.00 -1.03 0.00 0.00 41.12 39.82 1xf9 n ASP 579 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 1xf9 h VAL 580 N 3.77 0.95 -0.19 2.12 3.04 -1.98 -2.44 116.25 121.53 1xf9 h VAL 580 Ca 0.58 -0.07 -0.08 0.00 -1.01 0.00 0.00 66.70 66.12 1xf9 h VAL 580 Cb 0.46 0.73 -0.00 0.00 -2.01 0.00 0.00 31.29 30.47 1xf9 h VAL 580 CO 1.79 0.04 -0.21 -0.26 -1.01 0.00 0.00 177.57 177.91 1xf9 h PHE 581 N 0.20 0.57 -0.97 3.17 0.04 -1.94 -2.13 116.94 115.88 1xf9 h PHE 581 Ca 0.14 -0.18 0.04 0.00 2.80 0.00 0.00 57.97 60.77 1xf9 h PHE 581 Cb 0.30 -0.12 -0.06 0.00 2.20 0.00 0.00 35.95 38.28 1xf9 h PHE 581 CO -0.00 0.85 0.63 1.15 -0.60 0.00 0.00 178.31 180.34 1xf9 h THR 582 N 0.13 1.17 -0.91 -1.55 2.02 -1.86 -1.60 112.91 110.30 1xf9 h THR 582 Ca 0.03 -0.42 0.03 0.00 0.77 0.00 0.00 66.41 66.82 1xf9 h THR 582 Cb 0.76 -0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 1xf9 h THR 582 CO 0.05 0.22 0.60 -0.33 0.37 0.00 0.00 175.52 176.43 1xf9 h GLU 583 N 1.22 1.13 -0.44 6.66 5.08 -1.16 -0.40 114.58 126.67 1xf9 h GLU 583 Ca 0.39 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.60 1xf9 h GLU 583 Cb 0.01 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 1xf9 h GLU 583 CO -0.12 0.75 -0.05 0.93 -1.00 0.00 0.00 179.01 179.52 1xf9 h GLU 584 N 1.17 0.75 -0.38 2.33 5.08 -0.63 -0.68 114.58 122.21 1xf9 h GLU 584 Ca 0.35 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 1xf9 h GLU 584 Cb -0.03 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1xf9 h GLU 584 CO -0.10 0.80 -0.26 0.37 -1.00 0.00 0.00 179.01 178.81 1xf9 h GLN 585 N 0.70 0.80 -0.56 2.33 5.75 -0.63 -2.56 115.11 120.94 1xf9 h GLN 585 Ca 0.13 -0.35 -0.08 0.00 -0.15 0.00 0.00 58.65 58.20 1xf9 h GLN 585 Cb 0.50 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 1xf9 h GLN 585 CO 0.03 0.97 0.03 0.28 -2.65 0.00 0.00 178.83 177.48 1xf9 h VAL 586 N 0.69 1.26 -0.53 2.39 2.07 -0.92 0.33 116.25 121.54 1xf9 h VAL 586 Ca 0.09 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1xf9 h VAL 586 Cb 0.79 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1xf9 h VAL 586 CO 0.07 0.39 0.23 0.15 0.02 0.00 0.00 177.57 178.42 1xf9 h PHE 587 N 0.85 0.80 -0.04 1.57 3.57 -1.04 0.05 116.94 122.69 1xf9 h PHE 587 Ca 0.16 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1xf9 h PHE 587 Cb 0.50 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1xf9 h PHE 587 CO 0.04 0.64 -0.16 1.49 -2.23 0.00 0.00 178.31 178.09 1xf9 h GLU 588 N 0.72 0.18 0.06 1.11 4.81 -1.26 -0.82 114.58 119.38 1xf9 h GLU 588 Ca 0.18 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1xf9 h GLU 588 Cb 0.17 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1xf9 h GLU 588 CO -0.02 0.78 -0.03 0.77 -0.73 0.00 0.00 179.01 179.79 1xf9 h SER 589 N -0.38 -0.07 0.00 1.04 0.02 -0.36 -1.66 113.55 112.14 1xf9 h SER 589 Ca -0.01 -0.43 -0.05 0.00 -0.84 0.00 0.00 61.79 60.47 1xf9 h SER 589 Cb 0.81 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 1xf9 h SER 589 CO 0.03 0.41 -0.49 0.00 -1.14 0.00 0.00 176.83 175.64 1xf9 h VAL 591 N -1.00 1.27 0.08 0.00 2.07 -1.22 -1.07 116.25 116.38 1xf9 h VAL 591 Ca -0.07 -1.60 -0.30 0.00 0.82 0.00 0.00 66.70 65.55 1xf9 h VAL 591 Cb 0.61 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1xf9 h VAL 591 CO -0.04 0.53 -1.61 0.00 0.02 0.00 0.00 177.57 176.46 1xf9 h LYS 593 N -0.39 0.00 -0.30 0.00 1.57 -1.34 -3.18 116.57 112.92 1xf9 h LYS 593 Ca -0.37 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.48 1xf9 h LYS 593 Cb 1.72 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.95 1xf9 h LYS 593 CO -0.02 0.00 -0.30 1.25 -0.57 0.00 0.00 179.45 179.81 1xf9 h LEU 594 N -0.00 -0.97 -1.68 2.94 5.85 -1.20 -0.18 115.31 120.08 1xf9 h LEU 594 Ca 0.00 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1xf9 h LEU 594 Cb 0.00 0.45 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1xf9 h LEU 594 CO 0.00 -0.31 0.03 0.23 -0.34 0.00 0.00 178.44 178.04 1xf9 n MET 595 N -5.40 1.69 -0.34 1.25 2.81 -0.41 -4.49 117.12 112.22 1xf9 n MET 595 Ca -0.00 -0.63 0.17 0.00 -1.81 0.00 0.00 57.70 55.43 1xf9 n MET 595 Cb 0.32 -1.58 0.40 0.00 -0.71 0.00 0.00 33.22 31.65 1xf9 n MET 595 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xf9 h ALA 596 N 2.29 1.87 -0.42 3.04 0.00 -1.00 -2.02 119.26 123.03 1xf9 h ALA 596 Ca 0.02 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xf9 h ALA 596 Cb 0.91 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1xf9 h ALA 596 CO 0.12 -0.28 0.00 0.09 0.00 0.00 0.00 179.25 179.19 1xf9 n ASN 597 N -4.75 4.29 -4.83 0.00 3.02 -1.26 -4.77 115.26 106.96 1xf9 n ASN 597 Ca 0.24 -2.71 -0.35 0.00 -0.03 0.00 0.00 54.58 51.73 1xf9 n ASN 597 Cb 0.70 -0.53 -0.07 0.00 -0.61 0.00 0.00 39.78 39.27 1xf9 n ASN 597 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xf9 s LYS 598 N -2.31 3.28 -0.13 3.52 -0.14 -0.76 -4.02 119.74 119.18 1xf9 s LYS 598 Ca 0.44 -0.29 -0.29 0.00 -1.36 0.00 0.00 55.97 54.46 1xf9 s LYS 598 Cb 0.32 -3.03 -0.02 0.00 -1.68 0.00 0.00 37.83 33.41 1xf9 s LYS 598 CO 0.15 0.72 1.33 0.99 -0.76 0.00 0.00 175.35 177.78 1xf9 s THR 599 N -1.09 4.13 -0.03 2.17 2.01 -1.25 -4.04 115.64 117.54 1xf9 s THR 599 Ca 0.19 1.38 -0.04 0.00 0.31 0.00 0.00 61.69 63.53 1xf9 s THR 599 Cb -0.12 -3.89 0.01 0.00 0.01 0.00 0.00 72.50 68.50 1xf9 s THR 599 CO 0.09 -0.11 0.11 0.00 -0.69 0.00 0.00 174.62 174.02 1xf9 s ARG 600 N 3.43 0.23 -0.21 4.92 1.70 -0.50 -1.69 118.95 126.82 1xf9 s ARG 600 Ca 0.58 -0.03 0.01 0.00 -0.47 0.00 0.00 55.73 55.83 1xf9 s ARG 600 Cb -0.24 0.10 0.03 0.00 -0.57 0.00 0.00 34.95 34.27 1xf9 s ARG 600 CO 0.18 -0.04 -0.16 0.42 -1.08 0.00 0.00 175.30 174.62 1xf9 s ILE 601 N -0.39 2.17 -0.20 4.99 1.01 -0.07 -0.63 121.20 128.07 1xf9 s ILE 601 Ca -0.05 -1.17 -0.05 0.00 0.00 0.00 0.00 60.65 59.38 1xf9 s ILE 601 Cb -0.03 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 1xf9 s ILE 601 CO 0.00 0.33 -0.01 -0.22 0.00 0.00 0.00 174.94 175.03 1xf9 s LEU 602 N 1.23 3.17 -0.21 2.97 2.96 0.07 -0.69 118.68 128.18 1xf9 s LEU 602 Ca 0.00 -0.24 -0.19 0.00 -0.22 0.00 0.00 54.13 53.49 1xf9 s LEU 602 Cb -0.16 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 1xf9 s LEU 602 CO -0.10 0.06 0.53 -0.69 -1.32 0.00 0.00 176.35 174.83 1xf9 s VAL 603 N 1.03 5.09 0.20 1.68 1.01 0.01 0.01 120.40 129.43 1xf9 s VAL 603 Ca 0.01 0.97 -0.07 0.00 0.00 0.00 0.00 61.98 62.90 1xf9 s VAL 603 Cb -0.14 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 1xf9 s VAL 603 CO 0.01 0.15 0.27 0.28 0.00 0.00 0.00 175.10 175.82 1xf9 s THR 604 N 1.78 0.03 -0.08 3.92 -1.32 -0.56 -1.80 115.64 117.61 1xf9 s THR 604 Ca 0.24 -1.63 0.12 0.00 -1.21 0.00 0.00 61.69 59.20 1xf9 s THR 604 Cb -0.15 -2.17 0.18 0.00 -1.51 0.00 0.00 72.50 68.84 1xf9 s THR 604 CO 0.10 -0.13 1.08 -1.54 -2.21 0.00 0.00 174.62 171.91 1xf9 n SER 605 N -0.27 1.50 -4.52 8.08 3.41 -1.26 -4.33 113.62 116.23 1xf9 n SER 605 Ca -0.03 -2.64 -0.34 0.00 -0.26 0.00 0.00 58.87 55.61 1xf9 n SER 605 Cb 0.64 -0.33 -0.12 0.00 -0.26 0.00 0.00 64.21 64.14 1xf9 n SER 605 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xf9 s LYS 606 N -1.78 3.58 0.21 4.33 1.02 -1.26 -4.81 119.74 121.02 1xf9 s LYS 606 Ca 0.19 -0.51 -0.08 0.00 0.02 0.00 0.00 55.97 55.59 1xf9 s LYS 606 Cb 0.17 -2.89 0.16 0.00 -0.52 0.00 0.00 37.83 34.75 1xf9 s LYS 606 CO 0.02 0.30 1.81 0.52 -0.92 0.00 0.00 175.35 177.08 1xf9 h MET 607 N 6.51 1.15 -0.39 1.68 2.86 -1.96 -2.41 114.93 122.36 1xf9 h MET 607 Ca -0.33 -0.17 0.11 0.00 -2.06 0.00 0.00 59.70 57.26 1xf9 h MET 607 Cb 1.19 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.63 1xf9 h MET 607 CO 0.62 0.88 0.30 1.49 1.06 0.00 0.00 176.91 181.26 1xf9 h GLU 608 N 1.13 0.00 0.00 1.72 4.57 -1.99 0.63 114.58 120.63 1xf9 h GLU 608 Ca 0.28 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.41 1xf9 h GLU 608 Cb 0.11 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1xf9 h GLU 608 CO -0.04 0.00 -0.23 0.45 -1.18 0.00 0.00 179.01 178.01 1xf9 h HIS 609 N 0.00 0.00 0.17 0.92 3.86 -1.86 -2.01 115.15 116.22 1xf9 h HIS 609 Ca 0.19 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.09 1xf9 h HIS 609 Cb 0.79 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.28 1xf9 h HIS 609 CO 0.00 0.23 -1.39 -0.07 0.86 0.00 0.00 177.93 177.56 1xf9 h LEU 610 N 0.00 0.57 -0.03 2.43 4.07 -0.93 -2.79 115.31 118.62 1xf9 h LEU 610 Ca -0.00 -0.64 -0.00 0.00 0.08 0.00 0.00 57.88 57.32 1xf9 h LEU 610 Cb 0.94 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.50 1xf9 h LEU 610 CO 0.03 1.51 0.02 -0.09 -1.08 0.00 0.00 178.44 178.82 1xf9 h ARG 611 N 0.10 0.04 0.00 1.13 2.43 -1.18 -2.90 114.38 114.00 1xf9 h ARG 611 Ca -0.20 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1xf9 h ARG 611 Cb 2.05 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 1xf9 h ARG 611 CO 0.22 0.07 0.00 1.63 -1.51 0.00 0.00 179.97 180.39 1xf9 n LYS 612 N -5.05 0.24 -1.13 0.20 4.76 -0.77 -4.85 118.16 111.56 1xf9 n LYS 612 Ca -0.07 0.29 -0.30 0.00 -2.87 0.00 0.00 58.31 55.36 1xf9 n LYS 612 Cb 0.05 -1.83 0.13 0.00 -1.84 0.00 0.00 35.03 31.55 1xf9 n LYS 612 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xf9 s ALA 613 N -3.18 1.62 -0.17 7.82 0.00 -1.05 -4.98 121.76 121.82 1xf9 s ALA 613 Ca 0.08 0.09 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 1xf9 s ALA 613 Cb 0.11 -3.24 -0.22 0.00 0.00 0.00 0.00 23.12 19.77 1xf9 s ALA 613 CO 0.52 -2.32 0.29 -0.44 0.00 0.00 0.00 175.76 173.81 1xf9 h ASP 614 N -1.53 0.16 -3.47 0.00 3.32 -1.67 -3.45 116.42 109.78 1xf9 h ASP 614 Ca -0.48 -0.67 -0.48 0.00 0.02 0.00 0.00 57.03 55.42 1xf9 h ASP 614 Cb 1.27 -0.05 -0.17 0.00 0.22 0.00 0.00 39.33 40.60 1xf9 h ASP 614 CO 0.52 1.62 -0.76 -0.54 -1.72 0.00 0.00 179.24 178.36 1xf9 s LYS 615 N -2.43 1.26 -0.00 3.56 -0.14 -1.10 -4.51 119.74 116.38 1xf9 s LYS 615 Ca -0.26 -1.46 0.01 0.00 -1.36 0.00 0.00 55.97 52.91 1xf9 s LYS 615 Cb 0.06 -1.20 -0.00 0.00 -1.68 0.00 0.00 37.83 35.01 1xf9 s LYS 615 CO 0.66 0.22 -0.05 0.42 -0.76 0.00 0.00 175.35 175.85 1xf9 s ILE 616 N -2.42 0.35 -0.18 2.17 1.01 0.68 -1.70 121.20 121.11 1xf9 s ILE 616 Ca 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.58 1xf9 s ILE 616 Cb -0.04 -0.31 0.05 0.00 0.01 0.00 0.00 42.46 42.18 1xf9 s ILE 616 CO 0.06 0.07 -0.02 -0.22 0.00 0.00 0.00 174.94 174.83 1xf9 s LEU 617 N -0.19 1.53 -0.23 2.97 2.96 -0.56 -1.61 118.68 123.56 1xf9 s LEU 617 Ca 0.01 -0.76 -0.09 0.00 -0.22 0.00 0.00 54.13 53.07 1xf9 s LEU 617 Cb -0.02 -0.80 -0.04 0.00 0.50 0.00 0.00 46.19 45.82 1xf9 s LEU 617 CO -0.00 -0.24 0.11 -0.63 -1.32 0.00 0.00 176.35 174.27 1xf9 s ILE 618 N 1.70 4.92 0.05 6.68 1.01 -0.10 -1.09 121.20 134.37 1xf9 s ILE 618 Ca -0.01 0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.71 1xf9 s ILE 618 Cb -0.16 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1xf9 s ILE 618 CO -0.07 0.37 -0.03 -0.76 0.00 0.00 0.00 174.94 174.45 1xf9 s LEU 619 N 1.05 3.36 -0.21 2.97 1.43 0.48 -0.77 118.68 126.98 1xf9 s LEU 619 Ca 0.06 -0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 52.92 1xf9 s LEU 619 Cb -0.14 -2.02 0.09 0.00 0.03 0.00 0.00 46.19 44.15 1xf9 s LEU 619 CO 0.04 0.23 0.48 -2.28 0.23 0.00 0.00 176.35 175.04 1xf9 s HIS 620 N -1.17 -0.85 -1.09 0.29 2.46 -0.01 -1.78 115.29 113.14 1xf9 s HIS 620 Ca 0.22 1.64 -0.20 0.00 0.47 0.00 0.00 55.06 57.18 1xf9 s HIS 620 Cb -0.11 0.40 0.00 0.00 -0.13 0.00 0.00 32.58 32.74 1xf9 s HIS 620 CO 0.13 -0.47 0.75 0.94 -2.47 0.00 0.00 174.74 173.62 1xf9 n GLN 621 N 4.95 -1.07 -0.84 2.88 -0.06 -1.26 -0.90 117.38 121.09 1xf9 n GLN 621 Ca -0.15 0.49 0.00 0.00 -2.00 0.00 0.00 57.00 55.34 1xf9 n GLN 621 Cb 0.52 -3.73 0.00 0.00 -4.06 0.00 0.00 30.24 22.97 1xf9 n GLN 621 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1xf9 n GLY 622 N -1.76 0.00 3.36 1.69 0.00 -1.15 -4.93 105.19 102.40 1xf9 n GLY 622 Ca -0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 1xf9 n GLY 622 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xf9 s SER 623 N -1.74 2.78 -1.01 1.61 0.15 -0.08 0.04 113.70 115.45 1xf9 s SER 623 Ca 0.00 -0.98 -0.22 0.00 0.70 0.00 0.00 55.95 55.45 1xf9 s SER 623 Cb 0.00 -0.17 0.07 0.00 -1.71 0.00 0.00 66.02 64.21 1xf9 s SER 623 CO 0.00 -0.10 1.39 -0.55 1.20 0.00 0.00 173.24 175.18 1xf9 s SER 624 N -3.19 6.55 0.57 5.45 0.15 -1.26 -0.83 113.70 121.13 1xf9 s SER 624 Ca 0.22 -1.63 0.25 0.00 0.70 0.00 0.00 55.95 55.50 1xf9 s SER 624 Cb -0.03 -2.53 1.61 0.00 -1.71 0.00 0.00 66.02 63.36 1xf9 s SER 624 CO 0.08 -1.39 2.18 0.22 1.20 0.00 0.00 173.24 175.52 1xf9 h TYR 625 N 9.48 0.00 -1.35 3.44 5.03 -1.26 -3.44 116.97 128.87 1xf9 h TYR 625 Ca 0.20 0.00 0.14 0.00 2.58 0.00 0.00 58.73 61.65 1xf9 h TYR 625 Cb 1.01 0.00 -0.26 0.00 1.55 0.00 0.00 36.73 39.03 1xf9 h TYR 625 CO 1.26 0.00 0.70 0.12 -1.32 0.00 0.00 178.16 178.92 1xf9 s PHE 626 N -4.78 -0.24 -0.23 -3.82 2.19 -1.12 -4.97 117.98 105.01 1xf9 s PHE 626 Ca -0.05 0.46 -0.03 0.00 0.33 0.00 0.00 56.93 57.64 1xf9 s PHE 626 Cb 0.16 0.46 0.12 0.00 -1.31 0.00 0.00 43.02 42.44 1xf9 s PHE 626 CO 0.59 -0.19 0.34 -0.47 1.83 0.00 0.00 175.22 177.33 1xf9 s TYR 627 N -0.74 -0.69 -1.97 10.12 5.04 -1.26 -0.92 117.35 126.93 1xf9 s TYR 627 Ca 0.03 0.76 0.00 0.00 -2.44 0.00 0.00 57.07 55.43 1xf9 s TYR 627 Cb -0.02 -0.04 0.00 0.00 0.35 0.00 0.00 41.96 42.25 1xf9 s TYR 627 CO -0.05 -0.66 0.00 0.41 -1.34 0.00 0.00 175.55 173.91 1xf9 n GLY 628 N 5.36 -0.75 3.91 8.97 0.00 -0.63 -4.96 105.19 117.08 1xf9 n GLY 628 Ca -0.04 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.85 1xf9 n GLY 628 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xf9 s THR 629 N -3.00 3.23 0.32 2.61 -4.23 -1.26 -0.23 115.64 113.09 1xf9 s THR 629 Ca 0.00 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 1xf9 s THR 629 Cb 0.00 -3.35 0.26 0.00 1.34 0.00 0.00 72.50 70.75 1xf9 s THR 629 CO 0.00 -0.40 1.99 0.15 -0.54 0.00 0.00 174.62 175.82 1xf9 h PHE 630 N -0.46 0.91 0.71 3.99 3.57 -1.82 -0.90 116.94 122.95 1xf9 h PHE 630 Ca -0.45 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.03 1xf9 h PHE 630 Cb 1.27 -0.31 0.01 0.00 2.79 0.00 0.00 35.95 39.71 1xf9 h PHE 630 CO 0.44 0.58 -0.34 1.03 -2.23 0.00 0.00 178.31 177.79 1xf9 h SER 631 N 0.98 -0.81 -0.06 0.41 0.87 -1.94 -1.87 113.55 111.12 1xf9 h SER 631 Ca 0.26 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.85 1xf9 h SER 631 Cb -0.10 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1xf9 h SER 631 CO -0.06 -0.54 0.31 -0.33 -0.53 0.00 0.00 176.83 175.69 1xf9 h GLU 632 N -1.02 0.00 -0.08 2.24 5.08 -1.81 -0.85 114.58 118.14 1xf9 h GLU 632 Ca -0.10 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 1xf9 h GLU 632 Cb 0.75 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.01 1xf9 h GLU 632 CO 0.16 0.00 -0.62 1.25 -1.00 0.00 0.00 179.01 178.80 1xf9 h LEU 633 N 0.00 0.68 -0.51 1.33 5.85 -0.36 -1.41 115.31 120.90 1xf9 h LEU 633 Ca 0.03 -0.68 -0.07 0.00 0.84 0.00 0.00 57.88 58.00 1xf9 h LEU 633 Cb 0.66 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1xf9 h LEU 633 CO -0.00 1.25 0.03 1.56 -0.34 0.00 0.00 178.44 180.94 1xf9 h GLN 634 N 0.16 0.88 0.00 1.25 4.20 -0.80 -1.84 115.11 118.96 1xf9 h GLN 634 Ca -0.06 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.38 1xf9 h GLN 634 Cb 1.28 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1xf9 h GLN 634 CO 0.13 0.90 -0.02 0.66 -0.67 0.00 0.00 178.83 179.82 1xf9 h SER 635 N 0.75 0.01 0.00 1.46 4.64 -1.61 -2.56 113.55 116.24 1xf9 h SER 635 Ca 0.15 -0.96 0.00 0.00 -0.47 0.00 0.00 61.79 60.50 1xf9 h SER 635 Cb 0.48 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1xf9 h SER 635 CO 0.02 0.98 0.00 0.18 -0.87 0.00 0.00 176.83 177.14 1xf9 n LEU 636 N -4.61 0.00 -2.70 5.97 4.77 -0.53 -3.71 117.00 116.19 1xf9 n LEU 636 Ca -0.10 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.81 1xf9 n LEU 636 Cb 0.47 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.68 1xf9 n LEU 636 CO 0.34 0.00 0.52 0.54 -1.33 0.00 0.00 177.39 177.46 1xf9 n ARG 637 N -0.75 1.15 -0.11 3.23 5.12 -0.69 -4.99 116.66 119.61 1xf9 n ARG 637 Ca 0.10 -1.75 0.21 0.00 -1.93 0.00 0.00 57.85 54.48 1xf9 n ARG 637 Cb 0.05 -0.03 0.63 0.00 -1.16 0.00 0.00 32.46 31.94 1xf9 n ARG 637 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1xf9 h PRO 638 N 1.94 0.16 0.80 5.56 0.13 -1.53 -0.78 132.00 138.27 1xf9 h PRO 638 Ca -0.30 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.79 1xf9 h PRO 638 Cb 1.30 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1xf9 h PRO 638 CO -0.08 0.10 -0.46 -0.44 -0.23 0.00 0.00 178.00 176.90 1xf9 h ASP 639 N 0.16 -1.14 0.51 1.44 3.32 -1.92 0.33 116.42 119.12 1xf9 h ASP 639 Ca 0.35 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.44 1xf9 h ASP 639 Cb 1.14 0.32 -0.02 0.00 0.22 0.00 0.00 39.33 41.00 1xf9 h ASP 639 CO -0.06 -0.72 -0.47 0.15 -1.72 0.00 0.00 179.24 176.42 1xf9 h PHE 640 N -1.17 -1.29 -0.74 4.55 3.04 -1.73 -2.75 116.94 116.86 1xf9 h PHE 640 Ca -0.11 0.01 0.17 0.00 3.98 0.00 0.00 57.97 62.01 1xf9 h PHE 640 Cb 0.92 0.49 -0.12 0.00 2.56 0.00 0.00 35.95 39.81 1xf9 h PHE 640 CO -0.06 -0.63 0.06 0.77 -2.02 0.00 0.00 178.31 176.42 1xf9 h SER 641 N -0.97 -0.24 -0.41 0.41 0.02 -1.16 -1.86 113.55 109.35 1xf9 h SER 641 Ca -0.07 0.18 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1xf9 h SER 641 Cb 0.82 0.30 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 1xf9 h SER 641 CO -0.03 -0.14 0.15 -1.28 -1.14 0.00 0.00 176.83 174.39 1xf9 h SER 642 N 0.14 0.17 0.41 3.07 0.87 -0.18 0.07 113.55 118.11 1xf9 h SER 642 Ca 0.41 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.99 1xf9 h SER 642 Cb 0.72 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1xf9 h SER 642 CO -0.61 0.13 -0.21 0.50 -0.53 0.00 0.00 176.83 176.11 1xf9 h LYS 643 N 0.32 -0.55 -0.17 2.24 1.63 -1.05 -1.07 116.57 117.92 1xf9 h LYS 643 Ca 0.19 0.04 -0.19 0.00 -0.85 0.00 0.00 60.65 59.84 1xf9 h LYS 643 Cb 0.16 0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1xf9 h LYS 643 CO -0.18 -0.37 -0.65 -0.07 -3.45 0.00 0.00 179.45 174.73 1xf9 h LEU 644 N -0.57 0.72 -0.99 5.20 4.07 -1.43 -3.03 115.31 119.28 1xf9 h LEU 644 Ca -0.05 -0.43 -0.07 0.00 0.08 0.00 0.00 57.88 57.41 1xf9 h LEU 644 Cb 0.45 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1xf9 h LEU 644 CO 0.08 1.18 -0.32 0.24 -1.08 0.00 0.00 178.44 178.54 1xf9 h MET 645 N 0.46 0.00 0.00 1.13 2.86 -1.02 -2.99 114.93 115.36 1xf9 h MET 645 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1xf9 h MET 645 Cb 1.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1xf9 h MET 645 CO 0.13 0.32 0.13 0.78 1.06 0.00 0.00 176.91 179.32 1xf9 h GLY 646 N 2.07 0.00 -2.18 8.32 0.00 -1.06 -3.43 103.07 106.80 1xf9 h GLY 646 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 1xf9 h GLY 646 CO 0.04 0.00 0.35 -0.19 0.00 0.00 0.00 176.54 176.74 1xf9 s TYR 647 N -3.99 3.33 -0.09 5.60 2.02 -1.13 -5.00 117.35 118.08 1xf9 s TYR 647 Ca -0.04 1.63 -0.25 0.00 -0.37 0.00 0.00 57.07 58.04 1xf9 s TYR 647 Cb 0.10 -2.88 -0.21 0.00 -0.40 0.00 0.00 41.96 38.57 1xf9 s TYR 647 CO 0.32 -0.14 0.88 -0.44 -1.57 0.00 0.00 175.55 174.60 1xf9 h ASP 648 N 2.04 -0.03 -2.07 2.29 3.32 -1.91 -3.41 116.42 116.65 1xf9 h ASP 648 Ca -0.49 -0.69 -0.57 0.00 0.02 0.00 0.00 57.03 55.31 1xf9 h ASP 648 Cb 1.18 0.01 -0.39 0.00 0.22 0.00 0.00 39.33 40.35 1xf9 h ASP 648 CO 0.61 0.72 -1.04 0.35 -1.72 0.00 0.00 179.24 178.17 1xf9 n THR 649 N -4.74 -0.40 -0.10 0.35 -2.24 -1.26 -4.95 114.28 100.94 1xf9 n THR 649 Ca -0.09 -4.09 -0.11 0.00 -2.27 0.00 0.00 64.05 57.49 1xf9 n THR 649 Cb 0.35 -1.95 -0.04 0.00 -2.10 0.00 0.00 70.33 66.60 1xf9 n THR 649 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1xf9 h PHE 650 N 4.19 0.62 0.00 4.78 3.57 -1.91 -2.97 116.94 125.23 1xf9 h PHE 650 Ca 0.10 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1xf9 h PHE 650 Cb 0.86 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.45 1xf9 h PHE 650 CO 0.40 0.74 0.00 -0.25 -2.23 0.00 0.00 178.31 176.97 1xf9 n ASP 651 N -4.50 0.00 -0.89 0.41 8.00 -1.26 -1.32 116.55 116.98 1xf9 n ASP 651 Ca -0.03 0.30 0.09 0.00 0.71 0.00 0.00 54.79 55.86 1xf9 n ASP 651 Cb 0.31 -0.35 0.19 0.00 -0.02 0.00 0.00 41.12 41.24 1xf9 n ASP 651 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xf9 n GLN 652 N -1.35 2.39 -2.51 -1.24 6.02 -1.12 -4.95 117.38 114.61 1xf9 n GLN 652 Ca 0.02 -2.10 -0.31 0.00 -0.01 0.00 0.00 57.00 54.59 1xf9 n GLN 652 Cb 0.05 -1.39 -0.03 0.00 1.02 0.00 0.00 30.24 29.89 1xf9 n GLN 652 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1xf9 s PHE 653 N -1.12 3.47 1.12 1.08 0.08 -0.44 -5.02 117.98 117.15 1xf9 s PHE 653 Ca 0.31 1.30 -0.15 0.00 0.12 0.00 0.00 56.93 58.51 1xf9 s PHE 653 Cb 0.17 -2.66 0.18 0.00 -0.57 0.00 0.00 43.02 40.14 1xf9 s PHE 653 CO 0.23 -0.31 0.55 0.25 -0.10 0.00 0.00 175.22 175.84 1xf9 n THR 654 N -1.59 0.00 -0.31 0.64 -2.24 -1.26 -4.70 114.28 104.81 1xf9 n THR 654 Ca 0.05 -0.34 -0.05 0.00 -2.27 0.00 0.00 64.05 61.45 1xf9 n THR 654 Cb 0.54 -0.80 0.08 0.00 -2.10 0.00 0.00 70.33 68.05 1xf9 n THR 654 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1xf9 h GLU 655 N -2.29 1.21 -0.30 -0.78 4.22 -1.91 -2.29 114.58 112.44 1xf9 h GLU 655 Ca -0.56 -0.16 -0.04 0.00 0.08 0.00 0.00 59.36 58.69 1xf9 h GLU 655 Cb 1.34 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1xf9 h GLU 655 CO 0.43 0.91 0.05 1.49 -2.18 0.00 0.00 179.01 179.71 1xf9 h GLU 656 N 1.20 0.50 -0.54 1.92 4.81 -1.91 -1.88 114.58 118.68 1xf9 h GLU 656 Ca 0.30 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.29 1xf9 h GLU 656 Cb 0.08 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1xf9 h GLU 656 CO -0.04 0.60 -0.08 -0.09 -0.73 0.00 0.00 179.01 178.66 1xf9 h ARG 657 N 0.32 0.99 0.34 1.92 2.43 -1.86 -0.83 114.38 117.69 1xf9 h ARG 657 Ca 0.09 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 1xf9 h ARG 657 Cb 0.34 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1xf9 h ARG 657 CO 0.01 1.02 -0.24 0.00 -1.51 0.00 0.00 179.97 179.25 1xf9 h ARG 658 N 0.88 -0.55 -0.77 0.20 3.08 -1.31 0.17 114.38 116.08 1xf9 h ARG 658 Ca 0.14 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.29 1xf9 h ARG 658 Cb 0.63 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.75 1xf9 h ARG 658 CO 0.04 -0.37 0.46 0.77 -1.07 0.00 0.00 179.97 179.80 1xf9 h SER 659 N -0.57 0.70 0.44 7.04 0.02 -1.29 -1.25 113.55 118.64 1xf9 h SER 659 Ca -0.03 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1xf9 h SER 659 Cb 0.49 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1xf9 h SER 659 CO 0.01 0.45 -0.30 -1.28 -1.14 0.00 0.00 176.83 174.58 1xf9 h SER 660 N 0.84 -0.75 -0.82 3.07 0.87 -0.62 0.26 113.55 116.39 1xf9 h SER 660 Ca 0.34 0.05 0.08 0.00 -1.23 0.00 0.00 61.79 61.02 1xf9 h SER 660 Cb 0.18 0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 62.31 1xf9 h SER 660 CO -0.18 -0.46 0.54 0.40 -0.53 0.00 0.00 176.83 176.60 1xf9 h ILE 661 N -0.72 1.01 -0.05 2.23 2.04 -0.39 -0.87 117.51 120.77 1xf9 h ILE 661 Ca -0.05 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1xf9 h ILE 661 Cb 0.60 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1xf9 h ILE 661 CO 0.03 0.16 0.00 -0.07 0.00 0.00 0.00 178.15 178.27 1xf9 h LEU 662 N 0.86 0.08 -0.19 1.44 3.38 -0.76 0.06 115.31 120.19 1xf9 h LEU 662 Ca 0.36 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1xf9 h LEU 662 Cb 0.30 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1xf9 h LEU 662 CO -0.14 0.35 -0.02 0.74 0.09 0.00 0.00 178.44 179.46 1xf9 h THR 663 N -0.18 0.84 0.06 0.22 2.02 0.18 -0.16 112.91 115.89 1xf9 h THR 663 Ca 0.01 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1xf9 h THR 663 Cb 0.30 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1xf9 h THR 663 CO 0.00 0.01 -0.10 -0.08 0.37 0.00 0.00 175.52 175.72 1xf9 h GLU 664 N 0.03 -0.19 0.00 6.66 4.81 -1.15 -1.44 114.58 123.31 1xf9 h GLU 664 Ca 0.09 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1xf9 h GLU 664 Cb 0.13 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1xf9 h GLU 664 CO -0.17 -0.13 -0.01 1.15 -0.73 0.00 0.00 179.01 179.12 1xf9 h THR 665 N -0.20 0.47 0.14 0.32 2.02 -0.61 -1.02 112.91 114.04 1xf9 h THR 665 Ca 0.02 -0.05 -0.23 0.00 0.77 0.00 0.00 66.41 66.92 1xf9 h THR 665 Cb 0.21 1.03 0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1xf9 h THR 665 CO -0.05 0.01 -1.09 -0.07 0.37 0.00 0.00 175.52 174.69 1xf9 h LEU 666 N 0.00 0.47 -0.77 2.58 3.38 -0.49 -3.00 115.31 117.49 1xf9 h LEU 666 Ca -0.00 -0.92 0.06 0.00 0.09 0.00 0.00 57.88 57.11 1xf9 h LEU 666 Cb 0.03 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 1xf9 h LEU 666 CO 0.00 1.50 0.46 0.03 0.09 0.00 0.00 178.44 180.53 1xf9 h ARG 667 N -0.30 0.83 0.00 1.13 3.08 -0.70 -3.27 114.38 115.15 1xf9 h ARG 667 Ca -0.21 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1xf9 h ARG 667 Cb 1.73 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.60 1xf9 h ARG 667 CO 0.13 0.55 0.00 -2.13 -1.07 0.00 0.00 179.97 177.45 1xf9 n ARG 668 N -4.68 0.00 -0.56 0.04 0.63 -0.44 -3.75 116.66 107.90 1xf9 n ARG 668 Ca 0.10 0.04 -0.17 0.00 -0.92 0.00 0.00 57.85 56.90 1xf9 n ARG 668 Cb 0.16 -0.99 -0.02 0.00 0.45 0.00 0.00 32.46 32.07 1xf9 n ARG 668 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1xf9 n PHE 669 N -0.53 1.01 -0.25 -0.14 3.72 -1.13 -5.11 117.46 115.03 1xf9 n PHE 669 Ca 0.00 -1.56 0.00 0.00 -0.05 0.00 0.00 57.45 55.84 1xf9 n PHE 669 Cb 0.00 -1.38 0.00 0.00 -0.94 0.00 0.00 39.48 37.16 1xf9 n PHE 669 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58