#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf9 n THR 389 N 0.00 0.00 -4.13 6.66 -2.24 -1.26 -3.95 114.28 109.36 1xf9 n THR 389 Ca 0.00 -2.34 -0.10 0.00 -2.27 0.00 0.00 64.05 59.34 1xf9 n THR 389 Cb 0.00 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.14 1xf9 n THR 389 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1xf9 s THR 390 N -3.19 0.58 0.34 4.28 -1.32 -0.89 -4.95 115.64 110.49 1xf9 s THR 390 Ca 0.30 -1.73 0.05 0.00 -1.21 0.00 0.00 61.69 59.10 1xf9 s THR 390 Cb 0.01 -1.42 -0.01 0.00 -1.51 0.00 0.00 72.50 69.57 1xf9 s THR 390 CO 0.21 -0.79 0.49 -0.83 -2.21 0.00 0.00 174.62 171.49 1xf9 s GLY 391 N -2.71 1.50 -0.04 6.08 0.00 -1.26 -4.18 107.32 106.72 1xf9 s GLY 391 Ca 0.06 -1.32 0.01 0.00 0.00 0.00 0.00 44.72 43.47 1xf9 s GLY 391 CO -0.04 -1.24 -0.02 -1.50 0.00 0.00 0.00 173.10 170.29 1xf9 s ILE 392 N -2.21 0.38 -0.02 0.90 2.07 0.18 -4.43 121.20 118.06 1xf9 s ILE 392 Ca 0.43 -0.03 0.06 0.00 -1.41 0.00 0.00 60.65 59.71 1xf9 s ILE 392 Cb -0.09 -0.44 -0.01 0.00 0.13 0.00 0.00 42.46 42.04 1xf9 s ILE 392 CO 0.32 0.19 -0.21 -0.63 -1.91 0.00 0.00 174.94 172.70 1xf9 s ILE 393 N 0.99 1.67 -0.12 2.00 1.01 -0.45 0.19 121.20 126.49 1xf9 s ILE 393 Ca -0.10 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 59.63 1xf9 s ILE 393 Cb -0.14 -1.40 0.05 0.00 0.01 0.00 0.00 42.46 40.98 1xf9 s ILE 393 CO -0.01 0.47 0.06 -0.04 0.00 0.00 0.00 174.94 175.42 1xf9 s MET 394 N -0.38 0.20 -0.23 2.79 -1.94 -0.01 -0.71 119.30 119.02 1xf9 s MET 394 Ca 0.05 0.04 -0.04 0.00 -1.71 0.00 0.00 55.69 54.03 1xf9 s MET 394 Cb -0.09 -1.32 -0.00 0.00 2.01 0.00 0.00 34.83 35.42 1xf9 s MET 394 CO 0.00 -0.50 -0.03 -1.21 -0.01 0.00 0.00 175.02 173.27 1xf9 s GLU 395 N 2.08 3.26 -1.10 2.03 2.02 -0.13 -1.46 118.70 125.39 1xf9 s GLU 395 Ca 0.03 -0.71 -0.31 0.00 0.02 0.00 0.00 54.97 54.00 1xf9 s GLU 395 Cb -0.14 -3.05 0.04 0.00 0.10 0.00 0.00 34.13 31.08 1xf9 s GLU 395 CO -0.06 -0.26 0.59 -1.71 0.02 0.00 0.00 175.26 173.84 1xf9 n ASN 396 N 4.79 -3.54 -4.82 -0.19 2.85 -1.02 -1.75 115.26 111.58 1xf9 n ASN 396 Ca -0.17 -1.18 -0.38 0.00 -0.11 0.00 0.00 54.58 52.73 1xf9 n ASN 396 Cb 0.50 -1.41 -0.06 0.00 1.24 0.00 0.00 39.78 40.05 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 -3.70 4.83 -0.02 3.44 1.01 -0.05 -3.28 120.40 122.63 1xf9 s VAL 397 Ca 0.44 1.11 -0.00 0.00 0.00 0.00 0.00 61.98 63.52 1xf9 s VAL 397 Cb -0.24 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.32 1xf9 s VAL 397 CO 0.88 0.56 0.04 -0.89 0.00 0.00 0.00 175.10 175.69 1xf9 s THR 398 N -1.07 -0.06 -0.01 3.92 2.01 -0.75 -0.08 115.64 119.59 1xf9 s THR 398 Ca 0.27 0.21 0.04 0.00 0.31 0.00 0.00 61.69 62.52 1xf9 s THR 398 Cb -0.19 -0.09 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 1xf9 s THR 398 CO 0.17 0.08 -0.12 0.00 -0.69 0.00 0.00 174.62 174.07 1xf9 s ALA 399 N 1.04 1.02 0.27 7.40 0.00 0.14 -1.04 121.76 130.60 1xf9 s ALA 399 Ca -0.09 -0.51 0.07 0.00 0.00 0.00 0.00 51.96 51.44 1xf9 s ALA 399 Cb -0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1xf9 s ALA 399 CO -0.03 0.23 0.20 -0.06 0.00 0.00 0.00 175.76 176.10 1xf9 s PHE 400 N -0.19 3.02 0.25 0.00 0.08 -1.26 0.39 117.98 120.27 1xf9 s PHE 400 Ca 0.03 -0.17 -0.30 0.00 0.12 0.00 0.00 56.93 56.61 1xf9 s PHE 400 Cb -0.06 -1.48 -0.10 0.00 -0.57 0.00 0.00 43.02 40.82 1xf9 s PHE 400 CO -0.00 0.45 1.45 -1.58 -0.10 0.00 0.00 175.22 175.44 1xf9 s TRP 401 N -2.20 3.01 0.12 0.36 0.52 -0.92 -4.77 118.94 115.06 1xf9 s TRP 401 Ca 0.35 1.01 0.08 0.00 0.02 0.00 0.00 56.10 57.56 1xf9 s TRP 401 Cb -0.07 -3.83 -0.04 0.00 -1.15 0.00 0.00 33.47 28.38 1xf9 s TRP 401 CO 0.25 -2.71 -0.20 -1.21 0.02 0.00 0.00 176.95 173.09 1xf9 s GLU 402 N -0.36 1.18 0.55 4.98 0.41 -1.26 -4.58 118.70 119.61 1xf9 s GLU 402 Ca 0.60 -1.24 -0.22 0.00 -0.41 0.00 0.00 54.97 53.70 1xf9 s GLU 402 Cb -0.42 -1.38 -0.05 0.00 -1.78 0.00 0.00 34.13 30.50 1xf9 s GLU 402 CO 0.43 0.31 1.36 0.39 -0.49 0.00 0.00 175.26 177.26 1xf9 n GLU 403 N 0.83 1.68 0.00 1.61 1.02 -1.26 -2.65 120.64 121.87 1xf9 n GLU 403 Ca -0.17 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1xf9 n GLU 403 Cb 0.55 -2.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.39 1xf9 n GLU 403 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xf9 n GLY 404 N 0.76 2.24 0.33 0.62 0.00 -1.26 -4.82 105.19 103.06 1xf9 n GLY 404 Ca 0.11 -0.45 0.27 0.00 0.00 0.00 0.00 46.02 45.94 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 0.87 -0.20 1.61 3.57 -1.86 0.76 116.94 121.68 1xf9 h PHE 405 Ca 0.00 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 1xf9 h PHE 405 Cb 0.00 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 1xf9 h PHE 405 CO 0.00 -0.30 -0.33 0.78 -2.23 0.00 0.00 178.31 176.23 1xf9 h GLY 406 N 0.19 0.46 0.97 2.40 0.00 -1.88 -0.40 103.07 104.80 1xf9 h GLY 406 Ca 0.78 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.62 1xf9 h GLY 406 CO -0.68 0.37 -0.04 0.83 0.00 0.00 0.00 176.54 177.02 1xf9 h GLU 407 N 0.36 0.75 -0.08 4.80 4.39 0.08 -3.09 114.58 121.80 1xf9 h GLU 407 Ca 0.04 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.48 1xf9 h GLU 407 Cb 0.76 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1xf9 h GLU 407 CO 0.06 0.85 0.04 1.25 -1.16 0.00 0.00 179.01 180.05 1xf9 h LEU 408 N 0.58 0.10 -1.99 1.33 5.85 -0.93 -2.90 115.31 117.34 1xf9 h LEU 408 Ca 0.11 -0.12 0.18 0.00 0.84 0.00 0.00 57.88 58.90 1xf9 h LEU 408 Cb 0.54 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1xf9 h LEU 408 CO 0.03 0.19 0.49 -0.07 -0.34 0.00 0.00 178.44 178.73 1xf9 h LEU 409 N 0.01 0.00 -0.30 2.25 3.38 -1.02 -1.17 115.31 118.46 1xf9 h LEU 409 Ca 0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 1xf9 h LEU 409 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1xf9 h LEU 409 CO -0.00 0.00 -0.58 -0.33 0.09 0.00 0.00 178.44 177.62 1xf9 h GLU 410 N 0.00 0.84 0.00 1.13 5.08 -1.43 -3.52 114.58 116.68 1xf9 h GLU 410 Ca 0.29 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1xf9 h GLU 410 Cb 1.27 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1xf9 h GLU 410 CO -0.00 1.18 0.00 1.63 -1.00 0.00 0.00 179.01 180.82 1xf9 n LYS 411 N -3.99 0.05 0.00 2.33 5.02 -0.44 -5.11 118.16 116.02 1xf9 n LYS 411 Ca -0.05 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1xf9 n LYS 411 Cb 0.64 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 1xf9 n LYS 411 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xf9 n PHE 430 N -1.47 0.00 0.07 2.13 3.72 -1.26 -4.80 117.46 115.85 1xf9 n PHE 430 Ca 0.06 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.51 1xf9 n PHE 430 Cb 0.26 0.00 0.48 0.00 -0.94 0.00 0.00 39.48 39.27 1xf9 n PHE 430 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1xf9 h SER 431 N 1.15 0.35 -0.10 4.37 0.02 -1.99 -1.58 113.55 115.77 1xf9 h SER 431 Ca 0.00 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.77 1xf9 h SER 431 Cb 0.00 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 1xf9 h SER 431 CO 0.00 0.26 -0.54 0.45 -1.14 0.00 0.00 176.83 175.86 1xf9 h HIS 432 N 0.41 0.86 -0.06 3.45 3.86 -2.04 -0.99 115.15 120.64 1xf9 h HIS 432 Ca 0.11 -0.30 -0.07 0.00 -1.16 0.00 0.00 60.37 58.95 1xf9 h HIS 432 Cb -0.04 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 1xf9 h HIS 432 CO 0.00 1.07 -0.29 -0.07 0.86 0.00 0.00 177.93 179.50 1xf9 h LEU 433 N 0.53 0.11 0.14 2.43 3.38 -1.74 0.47 115.31 120.63 1xf9 h LEU 433 Ca 0.01 -0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.71 1xf9 h LEU 433 Cb 1.11 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 41.86 1xf9 h LEU 433 CO 0.11 0.40 -1.02 0.00 0.09 0.00 0.00 178.44 178.02 1xf9 h LEU 435 N -0.08 0.76 -1.33 0.00 5.85 -1.07 -2.52 115.31 116.91 1xf9 h LEU 435 Ca -0.17 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.27 1xf9 h LEU 435 Cb 1.77 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 1xf9 h LEU 435 CO 0.19 0.79 -0.26 0.58 -0.34 0.00 0.00 178.44 179.41 1xf9 h VAL 436 N 0.70 0.74 -1.53 1.05 2.07 -0.97 -3.47 116.25 114.85 1xf9 h VAL 436 Ca 0.16 -1.07 -0.10 0.00 0.82 0.00 0.00 66.70 66.50 1xf9 h VAL 436 Cb 0.31 1.67 0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1xf9 h VAL 436 CO -0.00 0.25 -0.15 0.61 0.02 0.00 0.00 177.57 178.30 1xf9 n GLY 437 N -0.17 0.38 3.72 2.17 0.00 -0.88 -5.01 105.19 105.40 1xf9 n GLY 437 Ca -0.01 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.93 7.01 0.06 1.61 3.84 -0.86 -4.86 114.94 118.80 1xf9 s ASN 438 Ca 0.08 2.13 -0.31 0.00 0.21 0.00 0.00 52.86 54.98 1xf9 s ASN 438 Cb -0.03 -2.58 -0.06 0.00 -0.55 0.00 0.00 41.25 38.02 1xf9 s ASN 438 CO 0.10 -0.51 1.28 -2.16 -2.79 0.00 0.00 177.10 173.02 1xf9 s PRO 439 N 0.89 4.37 0.02 0.43 0.04 -1.26 -2.17 135.00 137.32 1xf9 s PRO 439 Ca 0.60 1.87 -0.00 0.00 0.04 0.00 0.00 61.00 63.51 1xf9 s PRO 439 Cb -0.32 -3.37 -0.26 0.00 0.04 0.00 0.00 34.50 30.59 1xf9 s PRO 439 CO 0.31 -0.37 0.92 -0.24 0.04 0.00 0.00 177.00 177.65 1xf9 h VAL 440 N 4.54 1.23 -3.49 -0.36 3.04 -0.36 -3.45 116.25 117.39 1xf9 h VAL 440 Ca -0.41 -2.89 -0.38 0.00 -1.01 0.00 0.00 66.70 62.01 1xf9 h VAL 440 Cb 1.20 2.75 -0.34 0.00 -2.01 0.00 0.00 31.29 32.90 1xf9 h VAL 440 CO 0.84 0.81 -0.76 -0.76 -1.01 0.00 0.00 177.57 176.70 1xf9 s LEU 441 N -6.87 1.30 -0.05 3.16 1.43 -0.95 -4.22 118.68 112.47 1xf9 s LEU 441 Ca -0.07 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1xf9 s LEU 441 Cb 0.07 -0.35 0.01 0.00 0.03 0.00 0.00 46.19 45.95 1xf9 s LEU 441 CO 0.85 -0.07 -0.14 -0.75 0.23 0.00 0.00 176.35 176.47 1xf9 s LYS 442 N 0.91 1.68 -1.31 1.70 2.20 0.02 0.25 119.74 125.19 1xf9 s LYS 442 Ca -0.11 -0.49 -0.24 0.00 -0.36 0.00 0.00 55.97 54.77 1xf9 s LYS 442 Cb -0.14 -1.42 0.03 0.00 -1.51 0.00 0.00 37.83 34.79 1xf9 s LYS 442 CO -0.00 0.13 0.50 0.09 -0.36 0.00 0.00 175.35 175.70 1xf9 n ASN 443 N 3.48 -2.74 -4.72 1.43 3.02 -0.62 -4.32 115.26 110.80 1xf9 n ASN 443 Ca -0.20 -1.28 -0.39 0.00 -0.03 0.00 0.00 54.58 52.68 1xf9 n ASN 443 Cb 0.53 -1.76 -0.05 0.00 -0.61 0.00 0.00 39.78 37.89 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 -3.76 5.08 -0.04 2.41 -1.09 0.89 -4.71 121.20 119.98 1xf9 s ILE 444 Ca 0.35 1.31 0.01 0.00 -2.23 0.00 0.00 60.65 60.10 1xf9 s ILE 444 Cb -0.19 -3.98 0.02 0.00 -1.58 0.00 0.00 42.46 36.73 1xf9 s ILE 444 CO 0.97 0.27 -0.06 0.20 -1.23 0.00 0.00 174.94 175.10 1xf9 s ASN 445 N 0.75 1.02 -0.17 3.58 0.01 -1.26 -0.87 114.94 118.01 1xf9 s ASN 445 Ca 0.34 -0.15 -0.28 0.00 -0.71 0.00 0.00 52.86 52.06 1xf9 s ASN 445 Cb -0.17 -0.48 0.10 0.00 0.41 0.00 0.00 41.25 41.11 1xf9 s ASN 445 CO 0.16 -0.03 0.84 -1.48 -1.51 0.00 0.00 177.10 175.08 1xf9 s LEU 446 N 0.80 -0.56 -0.31 0.60 0.05 -0.54 -4.97 118.68 113.76 1xf9 s LEU 446 Ca -0.12 0.80 -0.02 0.00 0.05 0.00 0.00 54.13 54.85 1xf9 s LEU 446 Cb -0.14 2.22 0.10 0.00 -2.05 0.00 0.00 46.19 46.32 1xf9 s LEU 446 CO 0.01 -0.38 0.11 0.21 -0.55 0.00 0.00 176.35 175.75 1xf9 s ASN 447 N -0.60 3.87 -0.21 1.48 2.47 -1.26 -0.83 114.94 119.86 1xf9 s ASN 447 Ca -0.04 -1.55 -0.06 0.00 0.42 0.00 0.00 52.86 51.63 1xf9 s ASN 447 Cb -0.02 -0.71 -0.03 0.00 -1.45 0.00 0.00 41.25 39.04 1xf9 s ASN 447 CO 0.03 -0.42 0.04 -0.63 -3.72 0.00 0.00 177.10 172.39 1xf9 s ILE 448 N 1.74 4.25 0.48 -5.21 -1.09 0.13 -4.97 121.20 116.54 1xf9 s ILE 448 Ca 0.10 -0.21 -0.10 0.00 -2.23 0.00 0.00 60.65 58.21 1xf9 s ILE 448 Cb -0.17 -2.94 -0.06 0.00 -1.58 0.00 0.00 42.46 37.71 1xf9 s ILE 448 CO -0.28 0.41 0.85 -1.61 -1.23 0.00 0.00 174.94 173.08 1xf9 s GLU 449 N 1.04 3.73 -0.08 2.79 0.41 -1.26 0.47 118.70 125.80 1xf9 s GLU 449 Ca 0.03 0.54 -0.36 0.00 -0.41 0.00 0.00 54.97 54.77 1xf9 s GLU 449 Cb -0.14 -2.29 -0.14 0.00 -1.78 0.00 0.00 34.13 29.78 1xf9 s GLU 449 CO 0.02 -0.20 1.72 1.63 -0.49 0.00 0.00 175.26 177.94 1xf9 n LYS 450 N -1.80 1.73 -0.07 1.61 5.02 -1.26 -1.18 118.16 122.21 1xf9 n LYS 450 Ca 0.03 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 1xf9 n LYS 450 Cb 0.54 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.16 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 3.94 0.91 3.89 0.72 0.00 -1.26 -4.90 105.19 108.49 1xf9 n GLY 451 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.67 3.58 -0.19 1.61 2.02 -0.32 -4.35 118.70 120.37 1xf9 s GLU 452 Ca 0.00 0.50 -0.01 0.00 0.02 0.00 0.00 54.97 55.48 1xf9 s GLU 452 Cb 0.00 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 32.02 1xf9 s GLU 452 CO 0.00 -0.40 -0.13 1.41 0.02 0.00 0.00 175.26 176.16 1xf9 s MET 453 N -4.97 3.19 -0.25 1.61 -2.45 -1.26 -1.61 119.30 113.55 1xf9 s MET 453 Ca 0.52 -0.73 -0.11 0.00 -1.25 0.00 0.00 55.69 54.11 1xf9 s MET 453 Cb -0.11 -2.77 -0.05 0.00 1.25 0.00 0.00 34.83 33.16 1xf9 s MET 453 CO 0.50 -0.17 0.19 -1.17 1.05 0.00 0.00 175.02 175.42 1xf9 s LEU 454 N 1.30 4.08 -0.34 4.11 2.96 0.31 -1.94 118.68 129.16 1xf9 s LEU 454 Ca 0.04 0.09 -0.14 0.00 -0.22 0.00 0.00 54.13 53.90 1xf9 s LEU 454 Cb -0.14 -2.14 -0.02 0.00 0.50 0.00 0.00 46.19 44.39 1xf9 s LEU 454 CO -0.07 0.01 0.29 0.00 -1.32 0.00 0.00 176.35 175.25 1xf9 s ALA 455 N 1.38 3.50 -0.21 5.97 0.00 -0.82 -0.13 121.76 131.46 1xf9 s ALA 455 Ca 0.08 -1.32 -0.07 0.00 0.00 0.00 0.00 51.96 50.65 1xf9 s ALA 455 Cb -0.15 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 1xf9 s ALA 455 CO 0.07 -1.01 0.06 0.42 0.00 0.00 0.00 175.76 175.30 1xf9 s ILE 456 N 1.83 4.59 0.14 0.00 1.01 0.69 -1.38 121.20 128.08 1xf9 s ILE 456 Ca 0.08 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.67 1xf9 s ILE 456 Cb -0.17 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 1xf9 s ILE 456 CO 0.11 0.41 0.12 1.07 0.00 0.00 0.00 174.94 176.65 1xf9 n THR 457 N 4.04 0.00 -1.63 2.92 5.66 -0.30 -0.73 114.28 124.24 1xf9 n THR 457 Ca -0.16 -0.98 0.00 0.00 -3.05 0.00 0.00 64.05 59.85 1xf9 n THR 457 Cb 0.52 0.50 0.00 0.00 -1.55 0.00 0.00 70.33 69.80 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 -0.26 -0.63 3.66 1.09 0.00 -1.26 0.13 105.19 107.92 1xf9 n GLY 458 Ca 0.03 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.84 2.31 0.46 1.61 1.04 -0.94 -4.65 113.70 110.69 1xf9 s SER 459 Ca 0.00 1.11 -0.21 0.00 0.48 0.00 0.00 55.95 57.33 1xf9 s SER 459 Cb 0.00 -1.74 -0.09 0.00 0.10 0.00 0.00 66.02 64.29 1xf9 s SER 459 CO 0.00 -3.32 1.02 0.28 0.98 0.00 0.00 173.24 172.20 1xf9 s THR 460 N -2.96 3.89 -1.84 2.02 -1.32 -1.26 -3.27 115.64 110.90 1xf9 s THR 460 Ca 0.66 1.21 0.00 0.00 -1.21 0.00 0.00 61.69 62.35 1xf9 s THR 460 Cb -0.18 -3.51 0.00 0.00 -1.51 0.00 0.00 72.50 67.30 1xf9 s THR 460 CO 0.58 -0.22 0.00 0.61 -2.21 0.00 0.00 174.62 173.37 1xf9 n GLY 461 N -0.25 1.24 0.28 6.08 0.00 -1.26 -4.90 105.19 106.39 1xf9 n GLY 461 Ca 0.08 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.08 0.90 0.00 1.61 3.41 -1.20 -4.74 113.62 112.52 1xf9 n SER 462 Ca -0.19 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 1xf9 n SER 462 Cb 0.61 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 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 1.12 1.12 0.40 5.00 0.00 -1.26 -1.01 105.19 110.57 1xf9 n GLY 463 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 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 2.34 -0.86 -0.24 1.61 1.57 -1.93 -0.83 116.57 118.23 1xf9 h LYS 464 Ca 0.00 0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1xf9 h LYS 464 Cb 0.00 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1xf9 h LYS 464 CO 0.00 -0.57 0.16 1.15 -0.57 0.00 0.00 179.45 179.62 1xf9 h THR 465 N -0.89 1.02 -0.18 -0.16 2.02 -2.00 -1.81 112.91 110.91 1xf9 h THR 465 Ca -0.07 -0.09 -0.12 0.00 0.77 0.00 0.00 66.41 66.91 1xf9 h THR 465 Cb 0.73 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1xf9 h THR 465 CO 0.05 0.05 -0.41 0.28 0.37 0.00 0.00 175.52 175.86 1xf9 h SER 466 N 0.25 0.44 -0.77 4.18 0.02 -1.86 -2.15 113.55 113.66 1xf9 h SER 466 Ca 0.09 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.81 1xf9 h SER 466 Cb 0.07 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 1xf9 h SER 466 CO -0.02 0.81 0.33 0.25 -1.14 0.00 0.00 176.83 177.05 1xf9 h LEU 467 N 0.34 1.06 -0.69 5.07 5.85 -0.27 -1.32 115.31 125.34 1xf9 h LEU 467 Ca 0.03 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1xf9 h LEU 467 Cb 0.87 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1xf9 h LEU 467 CO 0.07 0.93 0.18 -0.07 -0.34 0.00 0.00 178.44 179.20 1xf9 h LEU 468 N 1.13 1.04 -1.32 2.25 4.07 -1.33 -2.11 115.31 119.03 1xf9 h LEU 468 Ca 0.26 -0.23 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 1xf9 h LEU 468 Cb 0.19 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 1xf9 h LEU 468 CO -0.02 1.00 0.20 0.24 -1.08 0.00 0.00 178.44 178.77 1xf9 h MET 469 N 1.03 0.67 -0.12 1.13 2.86 -0.79 -1.06 114.93 118.64 1xf9 h MET 469 Ca 0.22 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1xf9 h MET 469 Cb 0.36 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1xf9 h MET 469 CO 0.00 0.54 0.04 1.25 1.06 0.00 0.00 176.91 179.80 1xf9 h LEU 470 N 0.67 0.04 -1.25 1.22 5.85 -0.61 0.11 115.31 121.33 1xf9 h LEU 470 Ca 0.16 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1xf9 h LEU 470 Cb 0.12 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1xf9 h LEU 470 CO -0.02 0.04 -0.17 0.40 -0.34 0.00 0.00 178.44 178.35 1xf9 h ILE 471 N 0.09 1.21 0.00 4.05 2.04 -0.94 -0.88 117.51 123.09 1xf9 h ILE 471 Ca 0.05 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1xf9 h ILE 471 Cb 0.03 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1xf9 h ILE 471 CO -0.06 0.30 0.00 0.18 0.00 0.00 0.00 178.15 178.57 1xf9 n LEU 472 N -4.21 0.69 0.00 1.44 4.77 -0.45 -4.89 117.00 114.35 1xf9 n LEU 472 Ca -0.00 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1xf9 n LEU 472 Cb 0.32 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1xf9 n LEU 472 CO 0.39 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1xf9 n GLY 473 N 0.55 0.41 0.34 -0.72 0.00 -0.33 -4.92 105.19 100.53 1xf9 n GLY 473 Ca 0.04 -1.01 0.12 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.45 0.97 -3.72 1.61 -0.58 0.24 -4.77 120.64 111.95 1xf9 n GLU 474 Ca 0.00 -0.69 -0.17 0.00 -0.42 0.00 0.00 57.16 55.88 1xf9 n GLU 474 Cb 0.13 -1.49 -0.16 0.00 -0.57 0.00 0.00 31.44 29.35 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 -2.51 0.51 0.06 -4.62 2.96 -1.19 -4.92 118.68 108.97 1xf9 s LEU 475 Ca 0.21 0.16 -0.20 0.00 -0.22 0.00 0.00 54.13 54.08 1xf9 s LEU 475 Cb 0.19 0.06 -0.06 0.00 0.50 0.00 0.00 46.19 46.87 1xf9 s LEU 475 CO 0.55 -0.19 0.58 -1.61 -1.32 0.00 0.00 176.35 174.36 1xf9 s GLU 476 N 1.65 4.23 -0.42 1.98 0.41 -1.26 -4.39 118.70 120.91 1xf9 s GLU 476 Ca -0.03 0.74 -0.28 0.00 -0.41 0.00 0.00 54.97 55.00 1xf9 s GLU 476 Cb -0.12 -3.26 0.02 0.00 -1.78 0.00 0.00 34.13 28.99 1xf9 s GLU 476 CO -0.04 0.58 1.03 0.00 -0.49 0.00 0.00 175.26 176.34 1xf9 s ALA 477 N -0.91 3.30 0.18 5.21 0.00 -1.26 -4.52 121.76 123.75 1xf9 s ALA 477 Ca 0.29 -0.45 0.18 0.00 0.00 0.00 0.00 51.96 51.99 1xf9 s ALA 477 Cb -0.19 -3.72 0.65 0.00 0.00 0.00 0.00 23.12 19.86 1xf9 s ALA 477 CO 0.19 -1.91 1.73 0.77 0.00 0.00 0.00 175.76 176.53 1xf9 h SER 478 N 8.80 0.00 -5.02 0.00 0.02 -1.47 -3.45 113.55 112.43 1xf9 h SER 478 Ca -0.23 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.57 1xf9 h SER 478 Cb 1.07 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.41 1xf9 h SER 478 CO 1.05 0.39 -0.58 -1.61 -1.14 0.00 0.00 176.83 174.95 1xf9 s GLU 479 N -3.62 0.45 0.00 3.45 2.02 -0.96 -4.99 118.70 115.04 1xf9 s GLU 479 Ca -0.00 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.39 1xf9 s GLU 479 Cb 0.11 0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.52 1xf9 s GLU 479 CO 0.69 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 176.28 1xf9 n GLY 480 N 1.28 0.02 3.28 -1.39 0.00 -1.21 -1.82 105.19 105.36 1xf9 n GLY 480 Ca -0.22 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.33 2.28 -0.13 -0.61 1.01 -0.72 -4.93 121.20 116.78 1xf9 s ILE 481 Ca 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.69 1xf9 s ILE 481 Cb 0.00 -1.87 0.02 0.00 0.01 0.00 0.00 42.46 40.62 1xf9 s ILE 481 CO 0.00 0.56 -0.14 -0.51 0.00 0.00 0.00 174.94 174.85 1xf9 s ILE 482 N 0.03 1.47 -0.02 2.92 2.07 -1.26 -0.96 121.20 125.45 1xf9 s ILE 482 Ca -0.09 -0.59 0.07 0.00 -1.41 0.00 0.00 60.65 58.64 1xf9 s ILE 482 Cb -0.15 -1.38 -0.02 0.00 0.13 0.00 0.00 42.46 41.04 1xf9 s ILE 482 CO 0.05 0.44 -0.24 -0.54 -1.91 0.00 0.00 174.94 172.75 1xf9 s LYS 483 N 1.32 1.95 0.00 3.50 1.02 0.12 -5.00 119.74 122.66 1xf9 s LYS 483 Ca 0.01 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.15 1xf9 s LYS 483 Cb -0.14 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1xf9 s LYS 483 CO -0.07 0.49 0.00 -2.39 -0.92 0.00 0.00 175.35 172.46 1xf9 n HIS 484 N 2.54 0.00 -4.11 3.18 1.44 -1.26 -1.34 115.22 115.67 1xf9 n HIS 484 Ca -0.16 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.44 1xf9 n HIS 484 Cb 0.52 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.55 1xf9 n HIS 484 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1xf9 s SER 485 N 0.00 0.07 0.00 4.39 1.04 -1.26 -5.10 113.70 112.84 1xf9 s SER 485 Ca 0.00 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.24 1xf9 s SER 485 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1xf9 s SER 485 CO 0.00 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1xf9 n GLY 486 N -0.33 -2.48 3.83 7.32 0.00 -1.26 -4.67 105.19 107.60 1xf9 n GLY 486 Ca 0.00 -1.76 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.42 3.73 -0.05 1.61 0.52 -1.26 -4.89 118.95 118.19 1xf9 s ARG 487 Ca 0.00 1.05 0.03 0.00 -0.52 0.00 0.00 55.73 56.29 1xf9 s ARG 487 Cb 0.00 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.37 1xf9 s ARG 487 CO 0.00 -0.46 -0.14 0.08 0.02 0.00 0.00 175.30 174.80 1xf9 s VAL 488 N -2.55 1.23 -0.19 3.52 1.01 -1.26 -1.79 120.40 120.37 1xf9 s VAL 488 Ca 0.61 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 1xf9 s VAL 488 Cb -0.12 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1xf9 s VAL 488 CO 0.33 0.37 -0.05 -0.55 0.00 0.00 0.00 175.10 175.20 1xf9 s SER 489 N 0.27 4.46 -0.13 3.32 0.15 0.72 -4.97 113.70 117.52 1xf9 s SER 489 Ca -0.07 -0.28 -0.01 0.00 0.70 0.00 0.00 55.95 56.28 1xf9 s SER 489 Cb -0.12 -1.74 -0.02 0.00 -1.71 0.00 0.00 66.02 62.42 1xf9 s SER 489 CO 0.03 0.07 -0.10 0.12 1.20 0.00 0.00 173.24 174.56 1xf9 s PHE 490 N 0.93 2.87 -0.33 3.44 5.36 -1.26 -0.24 117.98 128.76 1xf9 s PHE 490 Ca -0.00 -0.46 0.02 0.00 -0.96 0.00 0.00 56.93 55.53 1xf9 s PHE 490 Cb -0.15 -1.85 0.09 0.00 -0.34 0.00 0.00 43.02 40.77 1xf9 s PHE 490 CO 0.01 -0.09 0.03 0.00 -1.46 0.00 0.00 175.22 173.71 1xf9 s SER 492 N 1.13 3.51 0.34 0.00 1.04 -1.26 -1.57 113.70 116.90 1xf9 s SER 492 Ca 0.04 1.39 0.11 0.00 0.48 0.00 0.00 55.95 57.97 1xf9 s SER 492 Cb -0.20 -2.07 0.62 0.00 0.10 0.00 0.00 66.02 64.47 1xf9 s SER 492 CO -0.06 -2.60 1.78 -0.61 0.98 0.00 0.00 173.24 172.73 1xf9 h GLN 493 N -1.52 0.06 -5.87 4.02 4.15 -1.92 -3.41 115.11 110.62 1xf9 h GLN 493 Ca -0.50 -0.03 -0.58 0.00 0.77 0.00 0.00 58.65 58.32 1xf9 h GLN 493 Cb 1.29 -0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.90 1xf9 h GLN 493 CO 0.56 0.46 0.23 0.12 -1.93 0.00 0.00 178.83 178.27 1xf9 s PHE 494 N -4.13 3.44 -0.64 3.99 5.36 -1.26 -4.96 117.98 119.78 1xf9 s PHE 494 Ca -0.03 1.14 -0.21 0.00 -0.96 0.00 0.00 56.93 56.87 1xf9 s PHE 494 Cb 0.14 -2.89 0.08 0.00 -0.34 0.00 0.00 43.02 40.01 1xf9 s PHE 494 CO 0.74 -0.14 0.88 -1.12 -1.46 0.00 0.00 175.22 174.12 1xf9 s SER 495 N 1.09 6.18 0.12 6.13 0.01 -1.26 -5.02 113.70 120.94 1xf9 s SER 495 Ca 0.35 -1.13 -0.23 0.00 1.31 0.00 0.00 55.95 56.25 1xf9 s SER 495 Cb -0.17 -2.38 -0.07 0.00 0.21 0.00 0.00 66.02 63.61 1xf9 s SER 495 CO 0.13 -1.34 0.71 -1.66 0.41 0.00 0.00 173.24 171.49 1xf9 s TRP 496 N 3.63 3.86 -0.17 2.43 1.48 -1.26 -4.91 118.94 124.00 1xf9 s TRP 496 Ca 0.19 1.50 0.01 0.00 -1.06 0.00 0.00 56.10 56.73 1xf9 s TRP 496 Cb -0.19 -2.68 0.02 0.00 -1.16 0.00 0.00 33.47 29.46 1xf9 s TRP 496 CO 0.09 0.52 -0.17 0.42 -4.06 0.00 0.00 176.95 173.75 1xf9 s ILE 497 N -1.03 1.84 0.24 0.66 -1.09 -1.26 -4.82 121.20 115.74 1xf9 s ILE 497 Ca 0.34 -0.82 -0.05 0.00 -2.23 0.00 0.00 60.65 57.89 1xf9 s ILE 497 Cb -0.22 -1.70 -0.05 0.00 -1.58 0.00 0.00 42.46 38.91 1xf9 s ILE 497 CO 0.23 0.49 0.49 0.00 -1.23 0.00 0.00 174.94 174.92 1xf9 s MET 498 N 1.38 3.64 0.22 2.79 0.23 -1.26 -0.57 119.30 125.72 1xf9 s MET 498 Ca 0.05 -0.03 -0.31 0.00 -1.03 0.00 0.00 55.69 54.37 1xf9 s MET 498 Cb -0.13 -2.72 -0.14 0.00 -1.53 0.00 0.00 34.83 30.31 1xf9 s MET 498 CO -0.12 0.31 1.32 -2.30 -2.03 0.00 0.00 175.02 172.21 1xf9 n PRO 499 N -0.56 1.76 0.00 3.16 -0.02 -1.26 -4.72 135.00 133.36 1xf9 n PRO 499 Ca -0.02 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1xf9 n PRO 499 Cb 0.53 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1xf9 n PRO 499 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xf9 n GLY 500 N 2.06 1.01 3.81 -1.23 0.00 -1.06 -4.94 105.19 104.83 1xf9 n GLY 500 Ca 0.12 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.37 1.95 0.08 2.61 -4.23 -1.26 -0.12 115.64 113.31 1xf9 s THR 501 Ca 0.00 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.31 1xf9 s THR 501 Cb 0.00 -2.81 -0.10 0.00 1.34 0.00 0.00 72.50 70.94 1xf9 s THR 501 CO 0.00 0.00 1.59 0.40 -0.54 0.00 0.00 174.62 176.07 1xf9 h ILE 502 N -1.59 1.19 -0.71 2.99 2.04 -1.28 -0.37 117.51 119.77 1xf9 h ILE 502 Ca -0.48 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 1xf9 h ILE 502 Cb 1.31 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 1xf9 h ILE 502 CO 0.54 0.18 0.41 0.50 0.00 0.00 0.00 178.15 179.79 1xf9 h LYS 503 N 0.12 0.98 -0.34 2.37 3.64 -1.44 -1.25 116.57 120.65 1xf9 h LYS 503 Ca 0.06 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1xf9 h LYS 503 Cb 0.24 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1xf9 h LYS 503 CO -0.00 0.72 0.12 0.93 -2.27 0.00 0.00 179.45 178.94 1xf9 h GLU 504 N 0.98 0.48 -0.15 1.90 5.08 -1.77 -1.45 114.58 119.64 1xf9 h GLU 504 Ca 0.25 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.39 1xf9 h GLU 504 Cb 0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1xf9 h GLU 504 CO -0.04 0.41 -0.57 -0.91 -1.00 0.00 0.00 179.01 176.90 1xf9 h ASN 505 N 0.47 0.53 -0.13 1.42 2.35 0.04 0.23 115.58 120.50 1xf9 h ASN 505 Ca 0.12 -0.29 -0.10 0.00 -0.55 0.00 0.00 56.30 55.48 1xf9 h ASN 505 Cb 0.13 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1xf9 h ASN 505 CO -0.01 0.99 -0.30 0.40 -1.65 0.00 0.00 177.43 176.86 1xf9 h ILE 506 N 0.36 1.37 0.12 2.81 2.04 -0.90 -3.34 117.51 119.97 1xf9 h ILE 506 Ca 0.00 -1.59 -0.20 0.00 1.00 0.00 0.00 64.86 64.08 1xf9 h ILE 506 Cb 1.11 2.06 0.02 0.00 -0.74 0.00 0.00 36.82 39.27 1xf9 h ILE 506 CO 0.10 0.47 -0.84 0.40 0.00 0.00 0.00 178.15 178.28 1xf9 h ILE 507 N 0.03 1.47 0.00 -0.67 2.04 -1.30 -3.37 117.51 115.71 1xf9 h ILE 507 Ca -0.00 -2.46 0.00 0.00 1.00 0.00 0.00 64.86 63.39 1xf9 h ILE 507 Cb 0.91 3.07 0.00 0.00 -0.74 0.00 0.00 36.82 40.05 1xf9 h ILE 507 CO 0.07 0.71 0.00 -1.54 0.00 0.00 0.00 178.15 177.38 1xf9 n SER 508 N -4.10 0.00 -1.39 1.72 3.41 0.82 -1.81 113.62 112.27 1xf9 n SER 508 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1xf9 n SER 508 Cb 0.82 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 1xf9 n SER 508 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xf9 n GLY 509 N 0.00 2.19 3.13 5.00 0.00 -1.26 -4.86 105.19 109.39 1xf9 n GLY 509 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 0.15 1.21 0.29 1.61 1.01 -0.75 -5.10 120.40 118.82 1xf9 s VAL 510 Ca 0.00 -0.69 -0.27 0.00 0.00 0.00 0.00 61.98 61.02 1xf9 s VAL 510 Cb 0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 36.38 35.21 1xf9 s VAL 510 CO 0.00 0.31 0.70 -1.54 0.00 0.00 0.00 175.10 174.58 1xf9 n SER 511 N 2.62 -0.24 -4.84 3.32 3.41 -1.26 -4.91 113.62 111.73 1xf9 n SER 511 Ca -0.15 1.09 -0.33 0.00 -0.26 0.00 0.00 58.87 59.22 1xf9 n SER 511 Cb 0.55 -1.11 -0.06 0.00 -0.26 0.00 0.00 64.21 63.32 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 -1.15 3.43 -0.34 7.33 5.04 -1.26 -5.05 117.35 125.35 1xf9 s TYR 512 Ca 0.62 1.31 0.03 0.00 -2.44 0.00 0.00 57.07 56.58 1xf9 s TYR 512 Cb -0.76 -2.60 0.16 0.00 0.35 0.00 0.00 41.96 39.11 1xf9 s TYR 512 CO 0.58 0.12 0.41 0.34 -1.34 0.00 0.00 175.55 175.67 1xf9 s ASP 513 N -2.12 0.60 0.09 4.32 -1.08 -1.26 -5.06 116.67 112.15 1xf9 s ASP 513 Ca 0.53 -0.98 -0.16 0.00 -0.52 0.00 0.00 52.55 51.41 1xf9 s ASP 513 Cb -0.12 0.92 -0.03 0.00 -1.46 0.00 0.00 42.92 42.24 1xf9 s ASP 513 CO 0.18 -0.29 0.83 1.21 0.52 0.00 0.00 175.17 177.61 1xf9 n GLU 514 N 4.76 -0.23 -0.02 4.34 4.07 -1.26 -1.35 120.64 130.95 1xf9 n GLU 514 Ca 0.06 0.81 -0.11 0.00 -0.06 0.00 0.00 57.16 57.86 1xf9 n GLU 514 Cb 0.48 -1.19 -0.05 0.00 -0.06 0.00 0.00 31.44 30.62 1xf9 n GLU 514 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 1xf9 h TYR 515 N 0.00 0.17 -0.61 4.31 3.20 -1.99 -1.60 116.97 120.45 1xf9 h TYR 515 Ca 0.09 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 1xf9 h TYR 515 Cb 0.22 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1xf9 h TYR 515 CO -0.55 0.11 0.16 -0.09 -1.64 0.00 0.00 178.16 176.16 1xf9 h ARG 516 N 0.17 0.94 -0.22 1.82 2.43 -1.66 -0.69 114.38 117.17 1xf9 h ARG 516 Ca 0.05 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 58.96 1xf9 h ARG 516 Cb -0.01 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1xf9 h ARG 516 CO -0.01 0.83 -0.09 -0.92 -1.51 0.00 0.00 179.97 178.28 1xf9 h TYR 517 N 0.91 0.52 -0.16 2.20 3.20 -1.06 -1.14 116.97 121.44 1xf9 h TYR 517 Ca 0.20 -0.12 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 1xf9 h TYR 517 Cb 0.31 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1xf9 h TYR 517 CO 0.02 0.71 -0.20 0.87 -1.64 0.00 0.00 178.16 177.93 1xf9 h LYS 518 N 0.17 0.28 -0.31 1.82 1.57 -1.18 -0.92 116.57 118.00 1xf9 h LYS 518 Ca 0.05 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1xf9 h LYS 518 Cb 0.57 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1xf9 h LYS 518 CO 0.03 0.47 0.08 1.03 -0.57 0.00 0.00 179.45 180.48 1xf9 h SER 519 N 0.26 0.47 -0.32 0.86 0.87 -0.92 -1.69 113.55 113.07 1xf9 h SER 519 Ca 0.05 -0.23 -0.15 0.00 -1.23 0.00 0.00 61.79 60.22 1xf9 h SER 519 Cb 0.50 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1xf9 h SER 519 CO 0.03 0.57 -0.38 0.58 -0.53 0.00 0.00 176.83 177.11 1xf9 h VAL 520 N 0.33 1.28 -0.54 2.23 2.07 -0.89 -1.66 116.25 119.06 1xf9 h VAL 520 Ca 0.10 -1.56 -0.06 0.00 0.82 0.00 0.00 66.70 66.00 1xf9 h VAL 520 Cb 0.29 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1xf9 h VAL 520 CO 0.00 0.52 0.10 0.58 0.02 0.00 0.00 177.57 178.79 1xf9 h VAL 521 N 0.72 1.23 -0.17 2.57 2.07 -1.09 -0.87 116.25 120.71 1xf9 h VAL 521 Ca 0.06 -0.88 -0.10 0.00 0.82 0.00 0.00 66.70 66.60 1xf9 h VAL 521 Cb 0.96 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1xf9 h VAL 521 CO 0.09 0.33 -0.28 0.50 0.02 0.00 0.00 177.57 178.23 1xf9 h LYS 522 N 0.81 0.49 -0.62 1.57 3.64 -1.22 -1.73 116.57 119.51 1xf9 h LYS 522 Ca 0.17 -0.30 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 1xf9 h LYS 522 Cb 0.34 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1xf9 h LYS 522 CO 0.00 0.90 0.20 0.00 -2.27 0.00 0.00 179.45 178.28 1xf9 h ALA 523 N 0.59 0.81 -0.03 5.00 0.00 -1.05 -2.39 119.26 122.19 1xf9 h ALA 523 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1xf9 h ALA 523 Cb 0.86 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1xf9 h ALA 523 CO 0.06 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.78 1xf9 n GLN 525 N -0.36 -4.75 0.12 0.00 1.13 -0.90 -4.89 117.38 107.73 1xf9 n GLN 525 Ca 0.01 0.92 0.12 0.00 -1.94 0.00 0.00 57.00 56.11 1xf9 n GLN 525 Cb 0.06 -5.78 0.09 0.00 0.11 0.00 0.00 30.24 24.72 1xf9 n GLN 525 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1xf9 h LEU 526 N -1.32 0.00 -0.90 1.08 3.38 -1.54 -3.36 115.31 112.64 1xf9 h LEU 526 Ca -0.53 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.44 1xf9 h LEU 526 Cb 1.37 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.06 1xf9 h LEU 526 CO 0.57 0.03 0.57 -0.61 0.09 0.00 0.00 178.44 179.10 1xf9 h GLN 527 N 0.00 1.04 0.00 1.13 5.75 -1.87 0.41 115.11 121.57 1xf9 h GLN 527 Ca 0.00 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 1xf9 h GLN 527 Cb 0.92 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 29.24 1xf9 h GLN 527 CO 0.00 0.68 -0.09 1.96 -2.65 0.00 0.00 178.83 178.74 1xf9 h GLN 528 N 1.07 0.00 0.00 1.69 7.50 -1.93 -2.07 115.11 121.37 1xf9 h GLN 528 Ca 0.38 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.46 1xf9 h GLN 528 Cb 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.64 1xf9 h GLN 528 CO -0.16 0.09 -0.69 -0.44 -1.50 0.00 0.00 178.83 176.13 1xf9 h ASP 529 N 0.00 0.00 0.02 1.46 3.32 -1.28 -3.39 116.42 116.55 1xf9 h ASP 529 Ca -0.00 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 1xf9 h ASP 529 Cb 0.35 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1xf9 h ASP 529 CO 0.01 0.97 -0.01 0.16 -1.72 0.00 0.00 179.24 178.65 1xf9 h ILE 530 N -1.00 0.45 0.00 0.35 3.07 -1.00 -0.52 117.51 118.86 1xf9 h ILE 530 Ca -0.11 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 66.28 1xf9 h ILE 530 Cb 0.73 1.02 0.00 0.00 -0.27 0.00 0.00 36.82 38.30 1xf9 h ILE 530 CO -0.07 0.01 0.00 0.00 -1.05 0.00 0.00 178.15 177.04 1xf9 h THR 531 N 0.00 0.00 0.00 0.16 1.03 -1.56 -2.27 112.91 110.27 1xf9 h THR 531 Ca -0.00 -0.38 0.00 0.00 -0.01 0.00 0.00 66.41 66.02 1xf9 h THR 531 Cb 0.02 1.38 0.00 0.00 -1.07 0.00 0.00 68.15 68.48 1xf9 h THR 531 CO 0.00 0.00 0.00 0.29 -0.01 0.00 0.00 175.52 175.80 1xf9 n LYS 532 N -3.08 0.26 -3.88 0.00 5.02 -0.20 -4.83 118.16 111.44 1xf9 n LYS 532 Ca -0.00 0.29 -0.37 0.00 -2.02 0.00 0.00 58.31 56.21 1xf9 n LYS 532 Cb 0.25 -1.84 -0.07 0.00 -0.02 0.00 0.00 35.03 33.35 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 -3.17 3.54 0.17 2.13 0.08 -0.85 -5.02 117.98 114.85 1xf9 s PHE 533 Ca 0.09 0.47 -0.23 0.00 0.12 0.00 0.00 56.93 57.38 1xf9 s PHE 533 Cb 0.11 -1.97 0.06 0.00 -0.57 0.00 0.00 43.02 40.65 1xf9 s PHE 533 CO 0.54 0.64 1.59 0.00 -0.10 0.00 0.00 175.22 177.90 1xf9 h ALA 534 N 5.30 -0.19 -0.40 5.36 0.00 -1.88 -0.75 119.26 126.70 1xf9 h ALA 534 Ca -0.52 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1xf9 h ALA 534 Cb 1.21 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1xf9 h ALA 534 CO 0.61 -0.73 0.00 0.39 0.00 0.00 0.00 179.25 179.52 1xf9 n GLU 535 N -5.42 3.25 0.00 0.00 -0.58 -1.26 -5.03 120.64 111.59 1xf9 n GLU 535 Ca 0.01 -1.99 0.00 0.00 -0.42 0.00 0.00 57.16 54.76 1xf9 n GLU 535 Cb 0.34 -1.87 0.00 0.00 -0.57 0.00 0.00 31.44 29.34 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 0.52 0.00 0.00 3.49 1.13 -0.29 -0.95 117.38 121.29 1xf9 n GLN 536 Ca 0.18 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.28 1xf9 n GLN 536 Cb 0.77 0.00 0.24 0.00 0.11 0.00 0.00 30.24 31.37 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 0.35 0.00 -1.37 1.08 5.75 -1.26 -1.76 116.55 119.34 1xf9 n ASP 537 Ca 0.00 -0.83 0.11 0.00 -0.01 0.00 0.00 54.79 54.06 1xf9 n ASP 537 Cb 0.00 0.00 0.32 0.00 -1.03 0.00 0.00 41.12 40.41 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 -0.74 4.09 -4.75 -1.12 3.02 -0.12 -1.14 115.26 114.51 1xf9 n ASN 538 Ca 0.06 -2.10 -0.41 0.00 -0.03 0.00 0.00 54.58 52.10 1xf9 n ASN 538 Cb 0.03 -0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 38.67 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 -1.20 3.15 0.05 3.41 2.01 -0.72 -4.80 115.64 117.53 1xf9 s THR 539 Ca 0.48 1.03 -0.23 0.00 0.31 0.00 0.00 61.69 63.28 1xf9 s THR 539 Cb 0.27 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 69.06 1xf9 s THR 539 CO 0.30 0.19 0.69 -0.69 -0.69 0.00 0.00 174.62 174.42 1xf9 s VAL 540 N -0.44 4.75 0.15 3.82 1.01 -1.26 -2.01 120.40 126.42 1xf9 s VAL 540 Ca 0.52 1.46 0.08 0.00 0.00 0.00 0.00 61.98 64.04 1xf9 s VAL 540 Cb -0.36 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1xf9 s VAL 540 CO 0.42 0.42 -0.09 -0.76 0.00 0.00 0.00 175.10 175.10 1xf9 s LEU 541 N -0.35 3.03 0.16 3.92 1.43 0.84 -4.95 118.68 122.76 1xf9 s LEU 541 Ca 0.34 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 1xf9 s LEU 541 Cb -0.20 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1xf9 s LEU 541 CO 0.21 0.13 0.22 -0.83 0.23 0.00 0.00 176.35 176.31 1xf9 s GLY 542 N -2.59 1.67 -0.40 -3.19 0.00 -1.26 -2.56 107.32 98.99 1xf9 s GLY 542 Ca 0.24 -1.14 -0.37 0.00 0.00 0.00 0.00 44.72 43.44 1xf9 s GLY 542 CO 0.15 -1.15 1.28 -2.21 0.00 0.00 0.00 173.10 171.17 1xf9 n GLU 543 N -0.53 0.00 -0.71 2.90 4.07 -1.26 0.14 120.64 125.25 1xf9 n GLU 543 Ca -0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.02 1xf9 n GLU 543 Cb 0.55 -1.19 0.00 0.00 -0.06 0.00 0.00 31.44 30.73 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 3.23 0.92 3.86 8.31 0.00 0.26 -4.45 105.19 117.32 1xf9 n GLY 544 Ca 0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.37 0.37 -0.02 0.00 0.38 -4.74 105.19 98.81 1xf9 n GLY 545 Ca 0.00 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.72 0.90 -0.02 1.61 2.07 -1.78 -2.49 116.25 115.83 1xf9 h VAL 546 Ca -0.45 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1xf9 h VAL 546 Cb 0.91 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1xf9 h VAL 546 CO 0.38 0.12 0.00 0.35 0.02 0.00 0.00 177.57 178.45 1xf9 n THR 547 N -4.52 0.01 -2.17 2.57 -2.24 -1.26 -4.87 114.28 101.81 1xf9 n THR 547 Ca 0.14 -0.14 -0.29 0.00 -2.27 0.00 0.00 64.05 61.50 1xf9 n THR 547 Cb 0.39 0.02 0.03 0.00 -2.10 0.00 0.00 70.33 68.67 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 -1.95 3.15 0.75 3.22 1.02 -0.94 -5.06 118.68 118.86 1xf9 s LEU 548 Ca 0.41 0.97 -0.11 0.00 0.02 0.00 0.00 54.13 55.43 1xf9 s LEU 548 Cb 0.21 -3.83 0.05 0.00 0.02 0.00 0.00 46.19 42.64 1xf9 s LEU 548 CO 0.34 -1.10 1.11 -0.94 0.02 0.00 0.00 176.35 175.79 1xf9 s SER 549 N -4.29 4.96 0.24 2.29 1.04 -1.26 -4.90 113.70 111.78 1xf9 s SER 549 Ca 0.55 0.87 -0.05 0.00 0.48 0.00 0.00 55.95 57.80 1xf9 s SER 549 Cb -0.11 -1.53 0.26 0.00 0.10 0.00 0.00 66.02 64.75 1xf9 s SER 549 CO 0.49 -1.61 1.80 1.23 0.98 0.00 0.00 173.24 176.12 1xf9 h GLY 550 N -0.81 1.12 0.95 7.32 0.00 -1.97 -1.69 103.07 107.99 1xf9 h GLY 550 Ca -0.45 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.22 1xf9 h GLY 550 CO 0.64 0.59 0.14 -1.33 0.00 0.00 0.00 176.54 176.58 1xf9 h GLY 551 N 1.08 0.71 1.22 4.60 0.00 -1.96 -0.41 103.07 108.30 1xf9 h GLY 551 Ca 0.23 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1xf9 h GLY 551 CO -0.01 0.39 0.34 1.46 0.00 0.00 0.00 176.54 178.71 1xf9 h GLN 552 N 0.55 1.00 -0.40 4.80 4.20 -1.86 -0.16 115.11 123.25 1xf9 h GLN 552 Ca 0.14 -0.14 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 1xf9 h GLN 552 Cb 0.25 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1xf9 h GLN 552 CO -0.01 0.78 -0.36 0.00 -0.67 0.00 0.00 178.83 178.58 1xf9 h ARG 553 N 1.00 0.94 -0.15 1.46 3.08 -0.97 -2.19 114.38 117.54 1xf9 h ARG 553 Ca 0.24 -0.48 0.01 0.00 0.07 0.00 0.00 59.98 59.82 1xf9 h ARG 553 Cb 0.10 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1xf9 h ARG 553 CO -0.03 1.14 0.08 0.00 -1.07 0.00 0.00 179.97 180.09 1xf9 h ALA 554 N 0.81 0.19 -0.78 0.04 0.00 -0.51 -0.84 119.26 118.17 1xf9 h ALA 554 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1xf9 h ALA 554 Cb 0.95 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1xf9 h ALA 554 CO 0.09 -0.35 0.49 0.00 0.00 0.00 0.00 179.25 179.48 1xf9 h ARG 555 N 0.17 0.92 -0.25 0.00 3.08 -0.92 0.47 114.38 117.85 1xf9 h ARG 555 Ca 0.06 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1xf9 h ARG 555 Cb 0.00 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 1xf9 h ARG 555 CO -0.04 0.61 -0.26 0.82 -1.07 0.00 0.00 179.97 180.03 1xf9 h ILE 556 N 0.95 1.27 -0.20 2.04 2.04 -1.18 0.49 117.51 122.92 1xf9 h ILE 556 Ca 0.32 -1.29 -0.18 0.00 1.00 0.00 0.00 64.86 64.70 1xf9 h ILE 556 Cb 0.04 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1xf9 h ILE 556 CO -0.12 0.41 -0.62 -1.28 0.00 0.00 0.00 178.15 176.54 1xf9 h SER 557 N 0.42 0.77 0.15 1.72 0.87 -0.34 -1.31 113.55 115.84 1xf9 h SER 557 Ca 0.06 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.17 1xf9 h SER 557 Cb 0.68 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1xf9 h SER 557 CO 0.05 1.21 -0.07 0.25 -0.53 0.00 0.00 176.83 177.73 1xf9 h LEU 558 N 0.50 -0.17 -0.84 2.23 5.85 0.40 -2.46 115.31 120.82 1xf9 h LEU 558 Ca -0.01 -0.24 0.15 0.00 0.84 0.00 0.00 57.88 58.62 1xf9 h LEU 558 Cb 1.20 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 42.18 1xf9 h LEU 558 CO 0.12 0.16 0.43 0.00 -0.34 0.00 0.00 178.44 178.81 1xf9 h ALA 559 N 0.26 1.27 -0.01 1.25 0.00 0.04 -1.03 119.26 121.04 1xf9 h ALA 559 Ca -0.02 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xf9 h ALA 559 Cb 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1xf9 h ALA 559 CO 0.03 -0.10 -0.05 -0.09 0.00 0.00 0.00 179.25 179.04 1xf9 h ARG 560 N 0.61 -0.08 -0.32 0.00 2.43 -1.08 0.27 114.38 116.22 1xf9 h ARG 560 Ca 0.46 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.67 1xf9 h ARG 560 Cb 0.65 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 1xf9 h ARG 560 CO -0.37 -0.06 0.12 0.00 -1.51 0.00 0.00 179.97 178.15 1xf9 h ALA 561 N 0.92 0.36 -0.55 2.80 0.00 -0.78 -2.74 119.26 119.28 1xf9 h ALA 561 Ca 0.03 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1xf9 h ALA 561 Cb 0.12 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1xf9 h ALA 561 CO -0.07 -0.28 -0.06 0.28 0.00 0.00 0.00 179.25 179.12 1xf9 h VAL 562 N 0.26 1.27 -0.94 0.00 2.07 -1.01 -2.96 116.25 114.93 1xf9 h VAL 562 Ca 0.14 -1.21 0.09 0.00 0.82 0.00 0.00 66.70 66.55 1xf9 h VAL 562 Cb 0.10 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 1xf9 h VAL 562 CO -0.14 0.43 0.61 0.22 0.02 0.00 0.00 177.57 178.70 1xf9 h TYR 563 N 0.89 1.06 -2.69 1.57 3.20 -0.23 -3.40 116.97 117.36 1xf9 h TYR 563 Ca 0.15 0.03 -0.53 0.00 3.14 0.00 0.00 58.73 61.51 1xf9 h TYR 563 Cb 0.62 -0.34 0.02 0.00 1.54 0.00 0.00 36.73 38.57 1xf9 h TYR 563 CO 0.04 0.50 1.00 0.21 -1.64 0.00 0.00 178.16 178.26 1xf9 s LYS 564 N -5.90 4.20 -0.37 1.82 2.20 -1.05 -4.93 119.74 115.70 1xf9 s LYS 564 Ca -0.11 2.32 -0.27 0.00 -0.36 0.00 0.00 55.97 57.54 1xf9 s LYS 564 Cb 0.21 -3.61 0.02 0.00 -1.51 0.00 0.00 37.83 32.94 1xf9 s LYS 564 CO 0.80 -0.73 1.01 0.34 -0.36 0.00 0.00 175.35 176.41 1xf9 s ASP 565 N 2.41 6.75 0.25 1.43 2.15 -1.26 -4.97 116.67 123.43 1xf9 s ASP 565 Ca 0.74 0.70 0.02 0.00 0.43 0.00 0.00 52.55 54.44 1xf9 s ASP 565 Cb -0.39 -2.51 -0.04 0.00 -0.30 0.00 0.00 42.92 39.68 1xf9 s ASP 565 CO 0.32 -0.94 0.19 0.00 -0.17 0.00 0.00 175.17 174.56 1xf9 s ALA 566 N 3.72 1.40 -0.14 3.66 0.00 -1.26 -4.98 121.76 124.16 1xf9 s ALA 566 Ca 0.42 -1.82 0.17 0.00 0.00 0.00 0.00 51.96 50.72 1xf9 s ALA 566 Cb -0.11 1.42 -0.06 0.00 0.00 0.00 0.00 23.12 24.37 1xf9 s ALA 566 CO 0.20 -0.62 1.06 -0.44 0.00 0.00 0.00 175.76 175.96 1xf9 h ASP 567 N 2.44 0.00 -3.45 0.00 3.32 -1.47 -3.45 116.42 113.81 1xf9 h ASP 567 Ca -0.32 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.42 1xf9 h ASP 567 Cb 1.24 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.45 1xf9 h ASP 567 CO 0.47 0.51 -0.71 -0.22 -1.72 0.00 0.00 179.24 177.57 1xf9 s LEU 568 N -5.99 0.78 -0.20 1.55 2.96 -0.78 -2.09 118.68 114.91 1xf9 s LEU 568 Ca -0.00 0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.98 1xf9 s LEU 568 Cb 0.08 -0.01 -0.01 0.00 0.50 0.00 0.00 46.19 46.76 1xf9 s LEU 568 CO 0.79 -0.16 -0.07 -0.31 -1.32 0.00 0.00 176.35 175.27 1xf9 s TYR 569 N 1.37 2.92 -0.38 5.38 1.51 -0.58 -0.20 117.35 127.36 1xf9 s TYR 569 Ca -0.06 -0.92 -0.07 0.00 -1.01 0.00 0.00 57.07 55.01 1xf9 s TYR 569 Cb -0.13 -2.04 0.07 0.00 -0.11 0.00 0.00 41.96 39.75 1xf9 s TYR 569 CO -0.04 -0.49 0.18 -0.51 -1.11 0.00 0.00 175.55 173.59 1xf9 s LEU 570 N 1.22 4.81 -0.46 -1.29 1.43 0.67 -0.03 118.68 125.03 1xf9 s LEU 570 Ca 0.02 -1.44 -0.11 0.00 -1.03 0.00 0.00 54.13 51.58 1xf9 s LEU 570 Cb -0.14 -1.91 0.10 0.00 0.03 0.00 0.00 46.19 44.26 1xf9 s LEU 570 CO -0.02 -0.45 0.33 -0.76 0.23 0.00 0.00 176.35 175.68 1xf9 s LEU 571 N 1.37 5.51 -0.61 1.79 1.02 0.10 -0.39 118.68 127.46 1xf9 s LEU 571 Ca 0.02 -1.63 -0.20 0.00 0.02 0.00 0.00 54.13 52.34 1xf9 s LEU 571 Cb -0.22 -2.05 0.09 0.00 0.02 0.00 0.00 46.19 44.03 1xf9 s LEU 571 CO 0.01 -0.64 0.80 -0.62 0.02 0.00 0.00 176.35 175.92 1xf9 s ASP 572 N 2.52 6.18 -1.52 2.29 -1.08 -0.61 -0.31 116.67 124.15 1xf9 s ASP 572 Ca 0.04 -1.26 -0.06 0.00 -0.52 0.00 0.00 52.55 50.75 1xf9 s ASP 572 Cb -0.25 -2.34 0.05 0.00 -1.46 0.00 0.00 42.92 38.92 1xf9 s ASP 572 CO 0.02 -1.23 0.52 -1.20 0.52 0.00 0.00 175.17 173.80 1xf9 n SER 573 N 6.84 -1.29 0.25 -0.34 7.64 -0.58 -3.65 113.62 122.48 1xf9 n SER 573 Ca -0.07 -1.02 0.17 0.00 1.01 0.00 0.00 58.87 58.95 1xf9 n SER 573 Cb 0.44 -2.86 0.76 0.00 -1.01 0.00 0.00 64.21 61.53 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 -1.73 0.00 -3.62 1.43 0.13 -1.83 -3.36 132.00 123.03 1xf9 h PRO 574 Ca -0.62 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 63.72 1xf9 h PRO 574 Cb 1.38 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.23 1xf9 h PRO 574 CO 0.68 0.00 0.35 -0.06 -0.23 0.00 0.00 178.00 178.75 1xf9 s PHE 575 N -3.69 4.15 0.00 1.56 0.08 -1.26 -4.71 117.98 114.11 1xf9 s PHE 575 Ca 0.00 -2.55 0.16 0.00 0.12 0.00 0.00 56.93 54.66 1xf9 s PHE 575 Cb 0.10 -3.81 0.26 0.00 -0.57 0.00 0.00 43.02 38.99 1xf9 s PHE 575 CO 0.45 -0.95 1.08 0.41 -0.10 0.00 0.00 175.22 176.11 1xf9 n GLY 576 N 2.97 0.83 3.77 4.36 0.00 -1.26 -4.85 105.19 111.02 1xf9 n GLY 576 Ca 0.21 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 2.04 0.32 1.61 1.51 -1.26 -4.50 117.35 117.07 1xf9 s TYR 577 Ca 0.21 -0.81 0.02 0.00 -1.01 0.00 0.00 57.07 55.47 1xf9 s TYR 577 Cb 0.24 -1.78 0.53 0.00 -0.11 0.00 0.00 41.96 40.83 1xf9 s TYR 577 CO -0.10 0.08 1.87 -0.07 -1.11 0.00 0.00 175.55 176.21 1xf9 h LEU 578 N 1.27 0.62 -5.59 -1.29 3.38 -2.00 -3.32 115.31 108.39 1xf9 h LEU 578 Ca -0.42 -0.11 -0.55 0.00 0.09 0.00 0.00 57.88 56.89 1xf9 h LEU 578 Cb 1.29 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.90 1xf9 h LEU 578 CO 0.70 0.64 2.96 -0.90 0.09 0.00 0.00 178.44 181.93 1xf9 n ASP 579 N -4.29 5.37 -0.26 -0.43 5.75 -1.26 -4.71 116.55 116.72 1xf9 n ASP 579 Ca 0.03 -2.52 0.02 0.00 -0.01 0.00 0.00 54.79 52.30 1xf9 n ASP 579 Cb 0.22 -1.30 0.15 0.00 -1.03 0.00 0.00 41.12 39.16 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 3.59 0.85 -0.34 2.12 3.04 -1.98 -2.71 116.25 120.82 1xf9 h VAL 580 Ca 0.59 -0.22 -0.02 0.00 -1.01 0.00 0.00 66.70 66.04 1xf9 h VAL 580 Cb 0.35 0.16 -0.01 0.00 -2.01 0.00 0.00 31.29 29.77 1xf9 h VAL 580 CO 1.69 0.12 0.13 -0.26 -1.01 0.00 0.00 177.57 178.24 1xf9 h PHE 581 N 0.64 0.52 -0.80 3.17 0.04 -1.94 -1.76 116.94 116.82 1xf9 h PHE 581 Ca 0.36 -0.04 0.13 0.00 2.80 0.00 0.00 57.97 61.23 1xf9 h PHE 581 Cb 0.38 -0.16 -0.06 0.00 2.20 0.00 0.00 35.95 38.32 1xf9 h PHE 581 CO -0.10 0.49 0.52 1.15 -0.60 0.00 0.00 178.31 179.78 1xf9 h THR 582 N 0.40 0.85 -0.61 -1.55 2.02 -1.89 0.39 112.91 112.52 1xf9 h THR 582 Ca 0.11 -0.20 -0.10 0.00 0.77 0.00 0.00 66.41 67.00 1xf9 h THR 582 Cb 0.19 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1xf9 h THR 582 CO -0.01 0.11 -0.01 -0.33 0.37 0.00 0.00 175.52 175.65 1xf9 h GLU 583 N 0.58 1.08 -0.82 6.66 5.08 -1.08 -0.44 114.58 125.64 1xf9 h GLU 583 Ca 0.39 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1xf9 h GLU 583 Cb 0.70 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1xf9 h GLU 583 CO -0.15 1.05 0.50 0.93 -1.00 0.00 0.00 179.01 180.34 1xf9 h GLU 584 N 0.98 1.11 0.03 2.33 5.08 -0.12 0.72 114.58 124.70 1xf9 h GLU 584 Ca 0.17 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1xf9 h GLU 584 Cb 0.57 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1xf9 h GLU 584 CO 0.03 0.78 -0.01 1.96 -1.00 0.00 0.00 179.01 180.77 1xf9 h GLN 585 N 1.12 -0.03 -0.92 2.33 4.20 -0.99 -2.38 115.11 118.43 1xf9 h GLN 585 Ca 0.29 0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.08 1xf9 h GLN 585 Cb -0.05 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.67 1xf9 h GLN 585 CO -0.06 0.05 0.58 0.28 -0.67 0.00 0.00 178.83 179.02 1xf9 h VAL 586 N -0.11 1.04 0.27 -0.54 2.07 -0.69 0.12 116.25 118.41 1xf9 h VAL 586 Ca -0.00 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1xf9 h VAL 586 Cb 0.10 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 1xf9 h VAL 586 CO 0.01 0.19 -0.22 0.15 0.02 0.00 0.00 177.57 177.71 1xf9 h PHE 587 N 1.04 -0.58 0.72 1.57 3.57 -0.53 -0.08 116.94 122.65 1xf9 h PHE 587 Ca 0.41 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.87 1xf9 h PHE 587 Cb 0.20 0.22 0.01 0.00 2.79 0.00 0.00 35.95 39.17 1xf9 h PHE 587 CO -0.02 -0.33 -0.35 1.49 -2.23 0.00 0.00 178.31 176.87 1xf9 h GLU 588 N -0.50 -0.94 -0.47 1.11 4.81 -0.92 -0.63 114.58 117.04 1xf9 h GLU 588 Ca -0.01 0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1xf9 h GLU 588 Cb 0.45 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1xf9 h GLU 588 CO -0.02 -0.62 0.08 0.77 -0.73 0.00 0.00 179.01 178.50 1xf9 h SER 589 N -0.99 0.74 0.00 1.04 0.02 -0.82 -0.05 113.55 113.49 1xf9 h SER 589 Ca -0.10 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1xf9 h SER 589 Cb 0.75 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1xf9 h SER 589 CO 0.16 0.81 -0.26 0.00 -1.14 0.00 0.00 176.83 176.40 1xf9 h VAL 591 N -0.54 1.26 0.00 0.00 2.07 -1.14 -1.44 116.25 116.46 1xf9 h VAL 591 Ca 0.00 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.42 1xf9 h VAL 591 Cb 0.26 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1xf9 h VAL 591 CO 0.00 0.36 -0.33 0.00 0.02 0.00 0.00 177.57 177.62 1xf9 n LYS 593 N -4.57 0.00 -0.29 0.00 5.02 -0.04 -3.19 118.16 115.08 1xf9 n LYS 593 Ca -0.15 0.31 0.19 0.00 -2.02 0.00 0.00 58.31 56.65 1xf9 n LYS 593 Cb 0.51 -0.80 0.48 0.00 -0.02 0.00 0.00 35.03 35.20 1xf9 n LYS 593 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1xf9 h LEU 594 N 0.00 0.49 -2.19 -0.35 5.85 -0.91 -1.40 115.31 116.79 1xf9 h LEU 594 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1xf9 h LEU 594 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1xf9 h LEU 594 CO 0.00 0.16 0.00 0.23 -0.34 0.00 0.00 178.44 178.49 1xf9 n MET 595 N -4.59 2.40 -0.29 1.25 2.81 -0.55 -4.70 117.12 113.45 1xf9 n MET 595 Ca 0.22 -2.15 0.29 0.00 -1.81 0.00 0.00 57.70 54.25 1xf9 n MET 595 Cb 0.75 -1.49 0.53 0.00 -0.71 0.00 0.00 33.22 32.30 1xf9 n MET 595 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xf9 n ALA 596 N 1.28 0.93 -0.84 3.04 0.00 -0.53 -0.40 120.51 124.00 1xf9 n ALA 596 Ca 0.20 0.94 0.08 0.00 0.00 0.00 0.00 53.44 54.65 1xf9 n ALA 596 Cb 0.53 -0.93 0.39 0.00 0.00 0.00 0.00 19.45 19.44 1xf9 n ALA 596 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xf9 n ASN 597 N -5.08 5.43 -4.39 0.00 3.02 -1.26 -4.72 115.26 108.26 1xf9 n ASN 597 Ca 0.34 -2.82 -0.33 0.00 -0.03 0.00 0.00 54.58 51.75 1xf9 n ASN 597 Cb 1.17 -0.65 -0.14 0.00 -0.61 0.00 0.00 39.78 39.55 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 -2.54 3.43 0.03 3.52 -0.14 0.47 -4.24 119.74 120.28 1xf9 s LYS 598 Ca 0.53 -0.66 -0.30 0.00 -1.36 0.00 0.00 55.97 54.18 1xf9 s LYS 598 Cb 0.39 -2.69 -0.07 0.00 -1.68 0.00 0.00 37.83 33.78 1xf9 s LYS 598 CO 0.18 0.21 1.67 0.99 -0.76 0.00 0.00 175.35 177.64 1xf9 s THR 599 N 0.38 3.20 -0.03 2.17 2.01 -1.26 -4.42 115.64 117.69 1xf9 s THR 599 Ca -0.09 0.53 -0.03 0.00 0.31 0.00 0.00 61.69 62.41 1xf9 s THR 599 Cb -0.16 -3.34 0.01 0.00 0.01 0.00 0.00 72.50 69.02 1xf9 s THR 599 CO 0.05 -0.02 0.08 0.00 -0.69 0.00 0.00 174.62 174.04 1xf9 s ARG 600 N 3.13 0.10 -0.21 4.92 1.70 -0.64 -1.53 118.95 126.43 1xf9 s ARG 600 Ca 0.75 0.10 -0.04 0.00 -0.47 0.00 0.00 55.73 56.06 1xf9 s ARG 600 Cb -0.38 0.05 -0.01 0.00 -0.57 0.00 0.00 34.95 34.04 1xf9 s ARG 600 CO 0.32 -0.01 -0.04 0.42 -1.08 0.00 0.00 175.30 174.91 1xf9 s ILE 601 N 0.01 3.50 -0.18 4.99 1.01 0.95 -0.53 121.20 130.95 1xf9 s ILE 601 Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 1xf9 s ILE 601 Cb -0.01 -2.59 -0.00 0.00 0.01 0.00 0.00 42.46 39.88 1xf9 s ILE 601 CO 0.00 0.43 -0.11 -0.22 0.00 0.00 0.00 174.94 175.04 1xf9 s LEU 602 N 1.29 2.62 -0.16 2.97 2.96 0.82 0.03 118.68 129.21 1xf9 s LEU 602 Ca 0.04 -0.45 -0.19 0.00 -0.22 0.00 0.00 54.13 53.30 1xf9 s LEU 602 Cb -0.14 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1xf9 s LEU 602 CO -0.01 0.03 0.54 -0.69 -1.32 0.00 0.00 176.35 174.90 1xf9 s VAL 603 N 1.13 5.12 0.26 1.68 1.01 0.58 -0.22 120.40 129.95 1xf9 s VAL 603 Ca 0.01 1.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.93 1xf9 s VAL 603 Cb -0.14 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1xf9 s VAL 603 CO -0.03 0.23 0.44 0.28 0.00 0.00 0.00 175.10 176.01 1xf9 s THR 604 N 1.22 0.00 -0.02 3.92 -1.32 0.09 -1.53 115.64 118.00 1xf9 s THR 604 Ca 0.27 -1.51 0.02 0.00 -1.21 0.00 0.00 61.69 59.26 1xf9 s THR 604 Cb -0.16 -2.31 0.03 0.00 -1.51 0.00 0.00 72.50 68.56 1xf9 s THR 604 CO 0.11 0.00 0.81 -1.54 -2.21 0.00 0.00 174.62 171.79 1xf9 n SER 605 N -0.51 0.62 -4.62 8.08 3.41 -1.26 -4.29 113.62 115.05 1xf9 n SER 605 Ca -0.01 -1.71 -0.35 0.00 -0.26 0.00 0.00 58.87 56.54 1xf9 n SER 605 Cb 0.62 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.52 3.96 0.38 4.33 1.02 -1.26 -4.84 119.74 122.81 1xf9 s LYS 606 Ca 0.04 -0.34 0.06 0.00 0.02 0.00 0.00 55.97 55.74 1xf9 s LYS 606 Cb 0.03 -3.29 0.74 0.00 -0.52 0.00 0.00 37.83 34.79 1xf9 s LYS 606 CO 0.00 0.18 1.98 0.52 -0.92 0.00 0.00 175.35 177.12 1xf9 h MET 607 N 7.03 0.56 -0.79 1.68 2.86 -1.96 -2.40 114.93 121.91 1xf9 h MET 607 Ca -0.37 -0.06 0.09 0.00 -2.06 0.00 0.00 59.70 57.29 1xf9 h MET 607 Cb 1.17 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.67 1xf9 h MET 607 CO 0.68 0.45 0.52 1.49 1.06 0.00 0.00 176.91 181.11 1xf9 h GLU 608 N 0.56 0.74 -0.08 1.72 4.57 -1.99 -1.13 114.58 118.97 1xf9 h GLU 608 Ca 0.14 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.17 1xf9 h GLU 608 Cb 0.09 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1xf9 h GLU 608 CO -0.02 0.49 -0.42 0.45 -1.18 0.00 0.00 179.01 178.33 1xf9 h HIS 609 N 0.77 0.20 -0.25 0.92 3.86 -1.85 -1.80 115.15 116.99 1xf9 h HIS 609 Ca 0.36 -0.05 -0.17 0.00 -1.16 0.00 0.00 60.37 59.35 1xf9 h HIS 609 Cb 0.39 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.81 1xf9 h HIS 609 CO -0.00 0.57 -0.50 -0.07 0.86 0.00 0.00 177.93 178.79 1xf9 h LEU 610 N 0.14 0.86 -0.76 2.43 4.07 -1.29 -2.62 115.31 118.14 1xf9 h LEU 610 Ca 0.01 -0.54 0.04 0.00 0.08 0.00 0.00 57.88 57.46 1xf9 h LEU 610 Cb 0.81 -0.25 -0.05 0.00 1.08 0.00 0.00 40.66 42.26 1xf9 h LEU 610 CO 0.06 1.25 0.48 -0.09 -1.08 0.00 0.00 178.44 179.06 1xf9 h ARG 611 N 0.51 0.90 -0.00 1.13 2.43 -1.06 -2.50 114.38 115.78 1xf9 h ARG 611 Ca 0.01 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1xf9 h ARG 611 Cb 1.11 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1xf9 h ARG 611 CO 0.11 0.59 -0.09 1.63 -1.51 0.00 0.00 179.97 180.70 1xf9 n LYS 612 N -4.63 0.80 -2.51 0.20 4.76 -0.70 -4.90 118.16 111.18 1xf9 n LYS 612 Ca 0.09 -0.28 -0.30 0.00 -2.87 0.00 0.00 58.31 54.94 1xf9 n LYS 612 Cb 0.10 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 31.78 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 -2.39 3.23 0.03 7.82 0.00 -0.94 -4.98 121.76 124.53 1xf9 s ALA 613 Ca 0.31 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.15 1xf9 s ALA 613 Cb 0.20 -2.87 -0.26 0.00 0.00 0.00 0.00 23.12 20.20 1xf9 s ALA 613 CO 0.45 -0.25 0.95 -0.44 0.00 0.00 0.00 175.76 176.47 1xf9 h ASP 614 N 0.71 0.26 -5.01 0.00 3.32 -1.70 -3.44 116.42 110.56 1xf9 h ASP 614 Ca -0.46 -0.35 -0.17 0.00 0.02 0.00 0.00 57.03 56.07 1xf9 h ASP 614 Cb 1.19 -0.09 -0.17 0.00 0.22 0.00 0.00 39.33 40.48 1xf9 h ASP 614 CO 0.62 1.29 -0.69 -0.54 -1.72 0.00 0.00 179.24 178.20 1xf9 s LYS 615 N -2.64 0.58 0.01 3.56 -0.14 -1.17 -4.65 119.74 115.28 1xf9 s LYS 615 Ca -0.06 -1.06 0.03 0.00 -1.36 0.00 0.00 55.97 53.53 1xf9 s LYS 615 Cb 0.08 0.06 -0.01 0.00 -1.68 0.00 0.00 37.83 36.27 1xf9 s LYS 615 CO 0.85 -0.06 -0.10 0.42 -0.76 0.00 0.00 175.35 175.70 1xf9 s ILE 616 N -3.05 0.75 -0.13 2.17 1.01 0.65 -1.94 121.20 120.66 1xf9 s ILE 616 Ca 0.01 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 1xf9 s ILE 616 Cb 0.02 -0.66 0.04 0.00 0.01 0.00 0.00 42.46 41.86 1xf9 s ILE 616 CO -0.06 0.11 -0.00 -0.22 0.00 0.00 0.00 174.94 174.76 1xf9 s LEU 617 N -0.51 1.01 -0.26 2.97 2.96 -0.48 -2.11 118.68 122.26 1xf9 s LEU 617 Ca 0.02 -0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 53.41 1xf9 s LEU 617 Cb -0.05 -0.61 -0.03 0.00 0.50 0.00 0.00 46.19 46.00 1xf9 s LEU 617 CO 0.00 -0.22 0.10 -0.63 -1.32 0.00 0.00 176.35 174.28 1xf9 s ILE 618 N 1.85 4.50 0.11 6.68 1.01 0.20 -1.15 121.20 134.39 1xf9 s ILE 618 Ca 0.02 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.56 1xf9 s ILE 618 Cb -0.14 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 1xf9 s ILE 618 CO -0.07 0.30 0.15 -0.76 0.00 0.00 0.00 174.94 174.57 1xf9 s LEU 619 N 1.64 4.00 -0.26 2.97 1.43 0.12 -0.89 118.68 127.69 1xf9 s LEU 619 Ca 0.06 0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 53.11 1xf9 s LEU 619 Cb -0.15 -2.63 0.11 0.00 0.03 0.00 0.00 46.19 43.55 1xf9 s LEU 619 CO 0.05 0.12 0.57 -2.28 0.23 0.00 0.00 176.35 175.05 1xf9 s HIS 620 N -1.57 -1.13 -1.43 0.29 2.46 -0.22 -2.22 115.29 111.47 1xf9 s HIS 620 Ca 0.32 2.04 -0.03 0.00 0.47 0.00 0.00 55.06 57.85 1xf9 s HIS 620 Cb -0.12 0.62 0.03 0.00 -0.13 0.00 0.00 32.58 32.98 1xf9 s HIS 620 CO 0.25 -0.59 0.57 0.94 -2.47 0.00 0.00 174.74 173.43 1xf9 n GLN 621 N 5.29 -3.79 -0.90 2.88 -0.06 -1.26 -0.98 117.38 118.56 1xf9 n GLN 621 Ca -0.12 0.46 0.00 0.00 -2.00 0.00 0.00 57.00 55.34 1xf9 n GLN 621 Cb 0.50 -4.81 0.00 0.00 -4.06 0.00 0.00 30.24 21.87 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 -1.81 0.28 3.44 1.69 0.00 -0.18 -4.93 105.19 103.68 1xf9 n GLY 622 Ca -0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.14 3.45 -0.87 1.61 0.15 -0.15 -0.80 113.70 114.95 1xf9 s SER 623 Ca 0.00 -0.93 -0.24 0.00 0.70 0.00 0.00 55.95 55.48 1xf9 s SER 623 Cb 0.00 -0.27 0.06 0.00 -1.71 0.00 0.00 66.02 64.10 1xf9 s SER 623 CO 0.00 0.08 1.30 -0.55 1.20 0.00 0.00 173.24 175.26 1xf9 s SER 624 N -3.01 6.36 0.48 5.45 0.15 -1.26 -1.06 113.70 120.81 1xf9 s SER 624 Ca 0.24 -1.12 0.24 0.00 0.70 0.00 0.00 55.95 56.01 1xf9 s SER 624 Cb -0.07 -2.53 1.19 0.00 -1.71 0.00 0.00 66.02 62.91 1xf9 s SER 624 CO 0.12 -1.56 1.97 0.22 1.20 0.00 0.00 173.24 175.19 1xf9 h TYR 625 N 9.74 0.00 -1.38 3.44 5.03 -1.34 -3.45 116.97 129.02 1xf9 h TYR 625 Ca -0.03 0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.40 1xf9 h TYR 625 Cb 1.03 0.00 -0.28 0.00 1.55 0.00 0.00 36.73 39.03 1xf9 h TYR 625 CO 1.18 0.19 0.65 0.12 -1.32 0.00 0.00 178.16 178.98 1xf9 s PHE 626 N -4.10 -0.29 -0.14 -3.82 2.19 -1.15 -4.98 117.98 105.70 1xf9 s PHE 626 Ca -0.02 0.66 -0.04 0.00 0.33 0.00 0.00 56.93 57.86 1xf9 s PHE 626 Cb 0.13 0.42 0.07 0.00 -1.31 0.00 0.00 43.02 42.33 1xf9 s PHE 626 CO 0.62 -0.16 0.24 -0.47 1.83 0.00 0.00 175.22 177.29 1xf9 s TYR 627 N -0.10 -0.37 -2.32 10.12 5.04 -1.26 -0.63 117.35 127.83 1xf9 s TYR 627 Ca 0.04 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 55.41 1xf9 s TYR 627 Cb -0.04 -0.15 0.00 0.00 0.35 0.00 0.00 41.96 42.12 1xf9 s TYR 627 CO -0.09 -0.41 0.00 0.41 -1.34 0.00 0.00 175.55 174.12 1xf9 n GLY 628 N 5.34 -0.55 3.95 8.97 0.00 -0.90 -4.98 105.19 117.03 1xf9 n GLY 628 Ca -0.06 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.14 3.91 0.52 2.61 -4.23 -1.26 -0.25 115.64 113.81 1xf9 s THR 629 Ca 0.00 -0.50 0.18 0.00 -1.18 0.00 0.00 61.69 60.18 1xf9 s THR 629 Cb 0.00 -3.45 0.29 0.00 1.34 0.00 0.00 72.50 70.68 1xf9 s THR 629 CO 0.00 -0.32 2.13 0.15 -0.54 0.00 0.00 174.62 176.04 1xf9 h PHE 630 N 0.38 0.00 -0.07 3.99 3.57 -1.84 0.13 116.94 123.10 1xf9 h PHE 630 Ca -0.46 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 60.95 1xf9 h PHE 630 Cb 1.26 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.00 1xf9 h PHE 630 CO 0.45 0.00 -0.32 1.03 -2.23 0.00 0.00 178.31 177.24 1xf9 h SER 631 N 0.00 0.40 -0.21 0.41 0.87 -1.95 -2.97 113.55 110.10 1xf9 h SER 631 Ca 0.04 -0.65 0.03 0.00 -1.23 0.00 0.00 61.79 59.98 1xf9 h SER 631 Cb 0.17 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1xf9 h SER 631 CO -0.00 0.98 0.14 -0.33 -0.53 0.00 0.00 176.83 177.09 1xf9 h GLU 632 N -0.16 0.15 -0.35 2.24 5.08 -1.53 -2.45 114.58 117.54 1xf9 h GLU 632 Ca -0.02 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 1xf9 h GLU 632 Cb 0.97 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1xf9 h GLU 632 CO 0.07 0.10 -0.39 1.25 -1.00 0.00 0.00 179.01 179.03 1xf9 h LEU 633 N 0.15 0.92 -1.11 1.33 5.85 -0.97 -0.47 115.31 121.01 1xf9 h LEU 633 Ca 0.09 -0.42 -0.09 0.00 0.84 0.00 0.00 57.88 58.30 1xf9 h LEU 633 Cb 0.17 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1xf9 h LEU 633 CO -0.01 1.19 -0.35 1.56 -0.34 0.00 0.00 178.44 180.49 1xf9 h GLN 634 N 0.70 0.16 0.06 1.25 4.20 -1.28 -1.97 115.11 118.23 1xf9 h GLN 634 Ca 0.06 -0.07 -0.35 0.00 0.06 0.00 0.00 58.65 58.35 1xf9 h GLN 634 Cb 0.97 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 1xf9 h GLN 634 CO 0.09 0.50 -2.03 -1.13 -0.67 0.00 0.00 178.83 175.59 1xf9 n SER 635 N -4.09 1.54 -0.51 1.46 3.41 -1.17 -3.24 113.62 111.03 1xf9 n SER 635 Ca -0.01 0.19 0.13 0.00 -0.26 0.00 0.00 58.87 58.91 1xf9 n SER 635 Cb 0.42 -0.38 0.47 0.00 -0.26 0.00 0.00 64.21 64.46 1xf9 n SER 635 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xf9 n LEU 636 N -3.25 1.58 -2.70 1.04 4.77 -0.19 -4.25 117.00 113.99 1xf9 n LEU 636 Ca -0.30 -0.57 -0.08 0.00 -0.03 0.00 0.00 56.01 55.03 1xf9 n LEU 636 Cb 1.05 -0.03 0.10 0.00 -2.33 0.00 0.00 43.42 42.21 1xf9 n LEU 636 CO 0.41 0.29 0.40 0.54 -1.33 0.00 0.00 177.39 177.70 1xf9 n ARG 637 N 0.24 1.18 0.11 3.23 5.12 -0.74 -4.99 116.66 120.81 1xf9 n ARG 637 Ca 0.18 -2.04 0.16 0.00 -1.93 0.00 0.00 57.85 54.22 1xf9 n ARG 637 Cb 0.35 -0.28 0.70 0.00 -1.16 0.00 0.00 32.46 32.07 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 2.21 0.00 0.49 5.56 0.13 -1.68 0.11 132.00 138.82 1xf9 h PRO 638 Ca -0.24 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 1xf9 h PRO 638 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1xf9 h PRO 638 CO 0.03 0.00 -0.24 -0.44 -0.23 0.00 0.00 178.00 177.12 1xf9 h ASP 639 N 0.00 -0.56 0.04 1.44 3.32 -1.92 0.79 116.42 119.53 1xf9 h ASP 639 Ca 0.15 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1xf9 h ASP 639 Cb 0.63 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1xf9 h ASP 639 CO -0.00 -0.25 -0.02 0.15 -1.72 0.00 0.00 179.24 177.40 1xf9 h PHE 640 N -0.89 -0.05 -0.45 4.55 3.04 -1.80 -2.80 116.94 118.54 1xf9 h PHE 640 Ca -0.07 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 61.95 1xf9 h PHE 640 Cb 0.59 0.02 -0.06 0.00 2.56 0.00 0.00 35.95 39.06 1xf9 h PHE 640 CO 0.00 0.06 0.09 0.77 -2.02 0.00 0.00 178.31 177.22 1xf9 h SER 641 N -0.15 0.02 -0.62 0.41 0.02 -0.83 -2.70 113.55 109.69 1xf9 h SER 641 Ca -0.01 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1xf9 h SER 641 Cb 0.13 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 1xf9 h SER 641 CO 0.01 0.04 0.38 -1.28 -1.14 0.00 0.00 176.83 174.84 1xf9 h SER 642 N 0.23 0.62 -0.20 3.07 0.87 -0.76 0.40 113.55 117.78 1xf9 h SER 642 Ca 0.22 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1xf9 h SER 642 Cb 0.28 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1xf9 h SER 642 CO -0.29 0.43 0.09 0.50 -0.53 0.00 0.00 176.83 177.03 1xf9 h LYS 643 N 0.74 0.30 0.00 2.24 1.63 -1.22 -0.81 116.57 119.45 1xf9 h LYS 643 Ca 0.25 -0.05 -0.19 0.00 -0.85 0.00 0.00 60.65 59.82 1xf9 h LYS 643 Cb 0.03 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 1xf9 h LYS 643 CO -0.11 0.34 -0.87 -0.07 -3.45 0.00 0.00 179.45 175.30 1xf9 h LEU 644 N 0.19 0.05 -0.13 5.20 4.07 -1.37 -3.03 115.31 120.28 1xf9 h LEU 644 Ca 0.07 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1xf9 h LEU 644 Cb 0.15 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.88 1xf9 h LEU 644 CO -0.01 0.89 0.00 0.24 -1.08 0.00 0.00 178.44 178.49 1xf9 h MET 645 N 0.02 0.00 0.00 1.13 2.86 -0.92 -3.26 114.93 114.76 1xf9 h MET 645 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1xf9 h MET 645 Cb 1.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.19 1xf9 h MET 645 CO 0.12 0.00 0.00 0.78 1.06 0.00 0.00 176.91 178.87 1xf9 h GLY 646 N 4.01 0.00 -3.56 8.32 0.00 -1.01 -3.44 103.07 107.39 1xf9 h GLY 646 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1xf9 h GLY 646 CO 0.00 0.00 0.03 -0.19 0.00 0.00 0.00 176.54 176.38 1xf9 s TYR 647 N -3.62 3.53 -0.01 5.60 1.51 -1.23 -5.00 117.35 118.13 1xf9 s TYR 647 Ca 0.01 1.19 -0.23 0.00 -1.01 0.00 0.00 57.07 57.03 1xf9 s TYR 647 Cb 0.09 -2.48 -0.15 0.00 -0.11 0.00 0.00 41.96 39.31 1xf9 s TYR 647 CO 0.42 0.29 1.05 -0.44 -1.11 0.00 0.00 175.55 175.76 1xf9 h ASP 648 N 3.02 -0.42 -1.80 2.29 3.32 -1.92 -3.38 116.42 117.53 1xf9 h ASP 648 Ca -0.48 -0.14 -0.54 0.00 0.02 0.00 0.00 57.03 55.88 1xf9 h ASP 648 Cb 1.18 0.11 -0.41 0.00 0.22 0.00 0.00 39.33 40.43 1xf9 h ASP 648 CO 0.66 -0.00 -0.82 0.35 -1.72 0.00 0.00 179.24 177.70 1xf9 n THR 649 N -5.14 2.10 -0.19 0.35 -2.24 -1.26 -4.90 114.28 103.01 1xf9 n THR 649 Ca -0.09 -4.88 -0.00 0.00 -2.27 0.00 0.00 64.05 56.80 1xf9 n THR 649 Cb 0.28 -0.92 0.10 0.00 -2.10 0.00 0.00 70.33 67.68 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 2.84 0.28 0.00 4.78 3.57 -1.91 -1.29 116.94 125.22 1xf9 h PHE 650 Ca 0.16 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1xf9 h PHE 650 Cb 0.81 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.51 1xf9 h PHE 650 CO 0.74 0.03 0.00 -0.25 -2.23 0.00 0.00 178.31 176.60 1xf9 n ASP 651 N -5.06 0.00 -0.51 0.41 8.00 -1.26 -1.64 116.55 116.48 1xf9 n ASP 651 Ca 0.08 -0.07 0.06 0.00 0.71 0.00 0.00 54.79 55.57 1xf9 n ASP 651 Cb 0.28 -0.05 0.07 0.00 -0.02 0.00 0.00 41.12 41.40 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 -1.05 1.13 -1.61 -1.24 6.02 -0.49 -4.96 117.38 115.18 1xf9 n GLN 652 Ca 0.03 -1.39 -0.31 0.00 -0.01 0.00 0.00 57.00 55.31 1xf9 n GLN 652 Cb 0.02 -1.23 0.05 0.00 1.02 0.00 0.00 30.24 30.09 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 -0.97 3.06 0.96 1.08 0.08 -0.65 -4.99 117.98 116.54 1xf9 s PHE 653 Ca 0.16 1.44 -0.11 0.00 0.12 0.00 0.00 56.93 58.54 1xf9 s PHE 653 Cb 0.10 -2.91 0.17 0.00 -0.57 0.00 0.00 43.02 39.82 1xf9 s PHE 653 CO 0.15 -1.25 1.12 0.95 -0.10 0.00 0.00 175.22 176.09 1xf9 s THR 654 N -2.96 2.11 0.31 0.64 -4.23 -1.26 -4.71 115.64 105.53 1xf9 s THR 654 Ca 0.59 0.03 0.03 0.00 -1.18 0.00 0.00 61.69 61.16 1xf9 s THR 654 Cb -0.14 -2.08 0.29 0.00 1.34 0.00 0.00 72.50 71.90 1xf9 s THR 654 CO 0.53 -0.04 1.88 -0.08 -0.54 0.00 0.00 174.62 176.37 1xf9 h GLU 655 N -2.00 0.91 0.12 3.99 4.22 -1.91 -1.18 114.58 118.75 1xf9 h GLU 655 Ca -0.47 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 58.91 1xf9 h GLU 655 Cb 1.28 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1xf9 h GLU 655 CO 0.44 0.60 -0.06 1.49 -2.18 0.00 0.00 179.01 179.30 1xf9 h GLU 656 N 0.94 -0.16 -0.48 1.92 4.81 -1.91 -2.13 114.58 117.57 1xf9 h GLU 656 Ca 0.43 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.63 1xf9 h GLU 656 Cb 0.39 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1xf9 h GLU 656 CO -0.19 0.10 0.14 -0.09 -0.73 0.00 0.00 179.01 178.24 1xf9 h ARG 657 N -0.42 0.71 -0.29 1.92 2.43 -1.76 -0.16 114.38 116.81 1xf9 h ARG 657 Ca -0.02 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1xf9 h ARG 657 Cb 0.34 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1xf9 h ARG 657 CO 0.03 0.63 0.11 0.00 -1.51 0.00 0.00 179.97 179.22 1xf9 h ARG 658 N 0.70 0.44 -0.56 0.20 3.08 -1.15 0.15 114.38 117.24 1xf9 h ARG 658 Ca 0.16 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 1xf9 h ARG 658 Cb 0.22 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1xf9 h ARG 658 CO -0.01 0.47 0.09 0.77 -1.07 0.00 0.00 179.97 180.22 1xf9 h SER 659 N 0.31 0.84 0.17 7.04 0.02 -1.10 -0.24 113.55 120.60 1xf9 h SER 659 Ca 0.10 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1xf9 h SER 659 Cb 0.20 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1xf9 h SER 659 CO -0.01 0.85 -0.08 -1.28 -1.14 0.00 0.00 176.83 175.17 1xf9 h SER 660 N 0.84 -0.20 -0.68 3.07 0.87 -0.63 0.96 113.55 117.79 1xf9 h SER 660 Ca 0.17 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 1xf9 h SER 660 Cb 0.37 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 1xf9 h SER 660 CO 0.01 -0.07 0.34 0.40 -0.53 0.00 0.00 176.83 176.98 1xf9 h ILE 661 N -0.31 1.22 -0.38 2.23 2.04 -0.52 -2.26 117.51 119.54 1xf9 h ILE 661 Ca -0.02 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.24 1xf9 h ILE 661 Cb 0.24 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1xf9 h ILE 661 CO 0.04 0.26 0.20 -0.07 0.00 0.00 0.00 178.15 178.58 1xf9 h LEU 662 N 0.95 0.30 -0.15 1.44 3.38 -0.79 -1.98 115.31 118.46 1xf9 h LEU 662 Ca 0.24 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1xf9 h LEU 662 Cb 0.10 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1xf9 h LEU 662 CO -0.03 0.22 0.08 0.74 0.09 0.00 0.00 178.44 179.53 1xf9 h THR 663 N 0.41 1.12 -0.83 0.22 2.02 -0.57 -1.37 112.91 113.90 1xf9 h THR 663 Ca 0.16 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 67.03 1xf9 h THR 663 Cb 0.05 1.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 1xf9 h THR 663 CO -0.10 0.11 0.55 -0.33 0.37 0.00 0.00 175.52 176.12 1xf9 h GLU 664 N 0.12 1.06 -0.12 6.66 5.08 -1.33 -0.86 114.58 125.19 1xf9 h GLU 664 Ca 0.05 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1xf9 h GLU 664 Cb 0.10 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1xf9 h GLU 664 CO -0.01 0.70 -0.21 1.15 -1.00 0.00 0.00 179.01 179.64 1xf9 h THR 665 N 1.09 1.21 0.02 1.13 2.02 -1.08 -0.27 112.91 117.03 1xf9 h THR 665 Ca 0.32 -0.96 -0.09 0.00 0.77 0.00 0.00 66.41 66.44 1xf9 h THR 665 Cb -0.07 1.35 0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1xf9 h THR 665 CO -0.09 0.29 -0.37 -0.07 0.37 0.00 0.00 175.52 175.65 1xf9 h LEU 666 N 0.19 0.30 -0.96 2.58 3.38 -0.63 -2.16 115.31 118.01 1xf9 h LEU 666 Ca 0.03 -0.82 0.11 0.00 0.09 0.00 0.00 57.88 57.29 1xf9 h LEU 666 Cb 0.48 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 1xf9 h LEU 666 CO 0.03 1.08 0.59 0.03 0.09 0.00 0.00 178.44 180.26 1xf9 h ARG 667 N -0.46 0.93 0.64 1.13 3.08 -1.06 -3.03 114.38 115.62 1xf9 h ARG 667 Ca -0.05 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1xf9 h ARG 667 Cb 1.16 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 31.00 1xf9 h ARG 667 CO 0.07 0.62 -0.31 -0.09 -1.07 0.00 0.00 179.97 179.19 1xf9 h ARG 668 N 0.96 -0.83 -2.75 0.04 2.43 -1.05 -3.32 114.38 109.86 1xf9 h ARG 668 Ca 0.46 0.06 -0.70 0.00 -0.81 0.00 0.00 59.98 58.99 1xf9 h ARG 668 Cb 0.42 0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.10 1xf9 h ARG 668 CO -0.25 -0.55 2.92 1.19 -1.51 0.00 0.00 179.97 181.76 1xf9 n PHE 669 N -4.67 2.49 -0.40 2.20 3.72 -0.81 -5.09 117.46 114.89 1xf9 n PHE 669 Ca -0.11 -2.90 0.00 0.00 -0.05 0.00 0.00 57.45 54.39 1xf9 n PHE 669 Cb 0.34 -2.08 0.00 0.00 -0.94 0.00 0.00 39.48 36.80 1xf9 n PHE 669 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58