#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xtf n PHE 431 N 0.00 1.21 -3.61 6.00 7.35 -1.26 -4.68 117.46 122.47 1xtf n PHE 431 Ca 0.00 0.73 -0.40 0.00 -0.76 0.00 0.00 57.45 57.02 1xtf n PHE 431 Cb 0.00 -2.26 -0.11 0.00 0.35 0.00 0.00 39.48 37.46 1xtf n PHE 431 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1xtf s VAL 432 N 0.08 4.53 0.20 -2.13 1.01 -1.26 -4.82 120.40 118.02 1xtf s VAL 432 Ca 0.80 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1xtf s VAL 432 Cb -0.96 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 31.90 1xtf s VAL 432 CO 0.51 -0.22 1.57 0.78 0.00 0.00 0.00 175.10 177.74 1xtf h ASN 433 N 8.42 0.76 -3.46 3.32 2.35 -1.91 -3.45 115.58 121.61 1xtf h ASN 433 Ca -0.26 -0.32 -0.66 0.00 -0.55 0.00 0.00 56.30 54.51 1xtf h ASN 433 Cb 1.10 -0.21 -0.14 0.00 0.05 0.00 0.00 38.32 39.12 1xtf h ASN 433 CO 0.66 1.04 -0.70 -1.59 -1.65 0.00 0.00 177.43 175.19 1xtf s LYS 434 N -4.38 2.39 -0.38 0.81 -2.85 -1.26 -5.08 119.74 108.99 1xtf s LYS 434 Ca -0.09 -0.89 -0.25 0.00 -1.00 0.00 0.00 55.97 53.74 1xtf s LYS 434 Cb 0.12 -2.45 0.02 0.00 -2.06 0.00 0.00 37.83 33.46 1xtf s LYS 434 CO 0.84 0.54 0.90 -0.65 0.10 0.00 0.00 175.35 177.08 1xtf s GLN 435 N -2.14 3.78 -0.00 1.78 -1.52 -1.26 -5.03 119.66 115.26 1xtf s GLN 435 Ca 0.23 0.46 -0.13 0.00 -1.95 0.00 0.00 55.36 53.97 1xtf s GLN 435 Cb -0.11 -3.82 -0.06 0.00 -0.22 0.00 0.00 33.01 28.80 1xtf s GLN 435 CO 0.15 -0.97 0.38 -0.06 -0.25 0.00 0.00 175.29 174.54 1xtf s PHE 436 N 3.44 3.70 -0.05 0.91 0.08 -1.26 -5.09 117.98 119.71 1xtf s PHE 436 Ca 0.37 0.92 0.06 0.00 0.12 0.00 0.00 56.93 58.40 1xtf s PHE 436 Cb -0.12 -2.24 -0.01 0.00 -0.57 0.00 0.00 43.02 40.08 1xtf s PHE 436 CO 0.19 0.64 -0.24 -0.80 -0.10 0.00 0.00 175.22 174.91 1xtf s ASN 437 N -1.15 2.94 0.60 1.36 0.01 -1.26 -4.84 114.94 112.60 1xtf s ASN 437 Ca 0.24 -0.48 0.29 0.00 -0.71 0.00 0.00 52.86 52.20 1xtf s ASN 437 Cb -0.16 -0.71 1.66 0.00 0.41 0.00 0.00 41.25 42.46 1xtf s ASN 437 CO 0.13 0.25 2.07 0.22 -1.51 0.00 0.00 177.10 178.26 1xtf h TYR 438 N 5.97 0.00 0.00 2.20 3.20 -1.90 -1.78 116.97 124.66 1xtf h TYR 438 Ca -0.34 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.34 1xtf h TYR 438 Cb 1.16 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 1xtf h TYR 438 CO 0.42 0.00 -0.86 0.87 -1.64 0.00 0.00 178.16 176.95 1xtf h LYS 439 N 0.00 0.16 -5.45 1.82 1.79 -1.95 -3.47 116.57 109.46 1xtf h LYS 439 Ca 0.09 -0.17 -0.61 0.00 -2.18 0.00 0.00 60.65 57.78 1xtf h LYS 439 Cb 0.57 0.05 0.10 0.00 -1.58 0.00 0.00 32.23 31.37 1xtf h LYS 439 CO -0.00 0.92 -0.48 -0.25 -1.08 0.00 0.00 179.45 178.56 1xtf n ASP 440 N -3.65 -1.13 -4.78 0.86 8.00 -0.67 -4.89 116.55 110.29 1xtf n ASP 440 Ca -0.03 1.03 -0.34 0.00 0.71 0.00 0.00 54.79 56.15 1xtf n ASP 440 Cb 0.80 -0.86 -0.01 0.00 -0.02 0.00 0.00 41.12 41.03 1xtf n ASP 440 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1xtf s PRO 441 N -0.91 3.47 0.36 -0.24 0.04 -1.26 -5.00 135.00 131.47 1xtf s PRO 441 Ca 0.58 1.48 -0.28 0.00 0.04 0.00 0.00 61.00 62.81 1xtf s PRO 441 Cb -0.85 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 31.55 1xtf s PRO 441 CO 0.51 -0.72 1.43 0.08 0.04 0.00 0.00 177.00 178.34 1xtf s VAL 442 N -1.94 2.27 -0.01 -0.36 1.01 -1.26 -4.88 120.40 115.23 1xtf s VAL 442 Ca 0.70 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.95 1xtf s VAL 442 Cb -0.20 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.03 1xtf s VAL 442 CO 0.26 0.06 0.74 -0.46 0.00 0.00 0.00 175.10 175.70 1xtf n ASN 443 N 0.67 0.71 0.00 3.32 0.23 0.05 -5.00 115.26 115.25 1xtf n ASN 443 Ca 0.01 -1.53 0.00 0.00 -0.53 0.00 0.00 54.58 52.53 1xtf n ASN 443 Cb 0.40 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 1xtf n ASN 443 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xtf n GLY 444 N -0.23 0.03 0.00 4.83 0.00 -1.03 -4.69 105.19 104.10 1xtf n GLY 444 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1xtf n GLY 444 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xtf n VAL 445 N -2.00 0.00 -0.13 1.61 0.31 -1.26 -4.85 118.33 112.01 1xtf n VAL 445 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 1xtf n VAL 445 Cb 0.00 -0.90 0.19 0.00 -0.91 0.00 0.00 33.84 32.21 1xtf n VAL 445 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1xtf n ASP 446 N -1.36 3.12 -3.49 4.52 5.68 -1.26 -4.84 116.55 118.91 1xtf n ASP 446 Ca 0.00 -1.95 -0.15 0.00 -0.50 0.00 0.00 54.79 52.19 1xtf n ASP 446 Cb 0.00 -0.27 -0.12 0.00 -1.14 0.00 0.00 41.12 39.59 1xtf n ASP 446 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1xtf s ILE 447 N -1.03 -0.41 0.30 2.12 1.01 -1.26 -0.20 121.20 121.73 1xtf s ILE 447 Ca 0.29 -0.02 -0.20 0.00 0.00 0.00 0.00 60.65 60.72 1xtf s ILE 447 Cb 0.16 -0.66 0.04 0.00 0.01 0.00 0.00 42.46 42.00 1xtf s ILE 447 CO 0.21 -0.12 0.78 0.00 0.00 0.00 0.00 174.94 175.81 1xtf s ALA 448 N 2.40 -1.13 -0.11 9.38 0.00 -0.52 -0.77 121.76 131.00 1xtf s ALA 448 Ca 0.07 -0.41 -0.10 0.00 0.00 0.00 0.00 51.96 51.52 1xtf s ALA 448 Cb -0.15 0.77 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 1xtf s ALA 448 CO -0.12 -1.03 0.22 0.71 0.00 0.00 0.00 175.76 175.54 1xtf s TYR 449 N -3.29 3.57 0.14 0.00 1.51 -1.26 0.83 117.35 118.85 1xtf s TYR 449 Ca 0.13 0.61 -0.02 0.00 -1.01 0.00 0.00 57.07 56.77 1xtf s TYR 449 Cb -0.05 -2.11 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 1xtf s TYR 449 CO 0.08 0.57 0.10 0.96 -1.11 0.00 0.00 175.55 176.14 1xtf s ILE 450 N -0.58 0.09 -0.04 2.71 -4.36 -0.23 -0.79 121.20 118.00 1xtf s ILE 450 Ca 0.16 -1.84 0.04 0.00 -0.26 0.00 0.00 60.65 58.75 1xtf s ILE 450 Cb -0.13 -2.05 -0.00 0.00 1.25 0.00 0.00 42.46 41.53 1xtf s ILE 450 CO 0.05 -0.41 -0.15 -0.54 0.24 0.00 0.00 174.94 174.13 1xtf s LYS 451 N -4.04 1.56 -0.06 0.37 1.02 -0.68 -1.64 119.74 116.27 1xtf s LYS 451 Ca 0.24 -0.52 -0.28 0.00 0.02 0.00 0.00 55.97 55.43 1xtf s LYS 451 Cb 0.07 -1.37 -0.03 0.00 -0.52 0.00 0.00 37.83 35.98 1xtf s LYS 451 CO 0.02 0.20 0.91 0.42 -0.92 0.00 0.00 175.35 175.98 1xtf s ILE 452 N 0.10 4.89 -0.75 2.17 1.01 -1.26 -1.99 121.20 125.37 1xtf s ILE 452 Ca -0.04 1.88 -0.26 0.00 0.00 0.00 0.00 60.65 62.23 1xtf s ILE 452 Cb -0.11 -4.24 -0.08 0.00 0.01 0.00 0.00 42.46 38.04 1xtf s ILE 452 CO 0.02 0.13 2.19 -2.16 0.00 0.00 0.00 174.94 175.12 1xtf s PRO 453 N 1.32 2.11 0.28 2.79 0.04 -1.26 -4.60 135.00 135.69 1xtf s PRO 453 Ca 0.47 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1xtf s PRO 453 Cb -0.19 -4.79 0.00 0.00 0.04 0.00 0.00 34.50 29.56 1xtf s PRO 453 CO 0.22 -3.70 0.00 0.27 0.04 0.00 0.00 177.00 173.82 1xtf n ASN 454 N 16.00 -0.71 0.00 6.66 6.94 -1.26 -4.78 115.26 138.10 1xtf n ASN 454 Ca 0.40 0.49 0.00 0.00 -0.02 0.00 0.00 54.58 55.45 1xtf n ASN 454 Cb 0.47 0.85 0.00 0.00 -2.36 0.00 0.00 39.78 38.74 1xtf n ASN 454 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xtf n ALA 455 N -3.35 0.32 -1.19 -2.53 0.00 -1.26 -5.12 120.51 107.38 1xtf n ALA 455 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xtf n ALA 455 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xtf n ALA 455 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xtf n GLY 456 N -0.77 -0.68 2.66 0.00 0.00 -1.26 -4.97 105.19 100.16 1xtf n GLY 456 Ca 0.00 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 1xtf n GLY 456 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xtf n GLN 457 N -0.68 5.19 -1.14 1.61 6.02 -1.26 -5.03 117.38 122.09 1xtf n GLN 457 Ca 0.00 -4.53 -0.35 0.00 -0.01 0.00 0.00 57.00 52.11 1xtf n GLN 457 Cb 0.00 -2.46 0.10 0.00 1.02 0.00 0.00 30.24 28.91 1xtf n GLN 457 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xtf n MET 458 N -0.06 0.19 -3.20 -1.09 0.00 -1.26 -4.97 117.12 106.73 1xtf n MET 458 Ca 0.48 0.12 -0.38 0.00 0.00 0.00 0.00 57.70 57.92 1xtf n MET 458 Cb 0.26 -2.13 -0.06 0.00 0.00 0.00 0.00 33.22 31.29 1xtf n MET 458 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 175.97 177.11 1xtf s GLN 459 N -3.52 4.27 1.02 3.17 -2.07 -1.26 -5.03 119.66 116.24 1xtf s GLN 459 Ca 0.68 0.82 -0.14 0.00 -1.82 0.00 0.00 55.36 54.90 1xtf s GLN 459 Cb -0.30 -3.18 0.09 0.00 -1.09 0.00 0.00 33.01 28.52 1xtf s GLN 459 CO 0.56 0.59 0.41 -0.35 -1.32 0.00 0.00 175.29 175.18 1xtf n PRO 460 N 1.52 -0.87 -3.92 9.60 -0.04 -1.26 -4.95 135.00 135.08 1xtf n PRO 460 Ca -0.08 -0.22 -0.10 0.00 -0.04 0.00 0.00 63.50 63.06 1xtf n PRO 460 Cb 0.50 -1.89 -0.10 0.00 -0.04 0.00 0.00 33.50 31.97 1xtf n PRO 460 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1xtf s VAL 461 N -2.38 0.11 0.11 0.52 -7.23 -0.65 -4.88 120.40 106.00 1xtf s VAL 461 Ca 0.59 -0.87 -0.30 0.00 -1.81 0.00 0.00 61.98 59.58 1xtf s VAL 461 Cb -0.19 -0.48 -0.07 0.00 0.56 0.00 0.00 36.38 36.20 1xtf s VAL 461 CO 0.66 -0.48 1.22 -0.75 -0.31 0.00 0.00 175.10 175.44 1xtf s LYS 462 N -1.70 4.45 0.05 4.82 2.20 -1.26 -1.06 119.74 127.24 1xtf s LYS 462 Ca -0.13 1.84 0.02 0.00 -0.36 0.00 0.00 55.97 57.34 1xtf s LYS 462 Cb -0.07 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.93 1xtf s LYS 462 CO -0.01 -0.21 -0.07 0.00 -0.36 0.00 0.00 175.35 174.70 1xtf s ALA 463 N 0.64 0.65 -0.10 3.13 0.00 0.24 -4.32 121.76 122.00 1xtf s ALA 463 Ca 0.57 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.64 1xtf s ALA 463 Cb -0.31 0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.90 1xtf s ALA 463 CO 0.32 -0.09 -0.18 -0.06 0.00 0.00 0.00 175.76 175.76 1xtf s PHE 464 N -1.99 2.13 -0.61 0.00 0.40 -0.50 -1.45 117.98 115.97 1xtf s PHE 464 Ca -0.05 -0.95 -0.21 0.00 -0.60 0.00 0.00 56.93 55.12 1xtf s PHE 464 Cb -0.06 -1.49 0.08 0.00 0.51 0.00 0.00 43.02 42.06 1xtf s PHE 464 CO -0.01 -0.45 0.82 0.21 0.70 0.00 0.00 175.22 176.49 1xtf s LYS 465 N 0.75 3.09 0.00 0.44 2.20 0.72 -1.03 119.74 125.91 1xtf s LYS 465 Ca -0.11 -1.02 0.27 0.00 -0.36 0.00 0.00 55.97 54.75 1xtf s LYS 465 Cb -0.16 -4.23 0.90 0.00 -1.51 0.00 0.00 37.83 32.84 1xtf s LYS 465 CO 0.02 -1.63 1.68 0.44 -0.36 0.00 0.00 175.35 175.50 1xtf n ILE 466 N 5.75 0.00 -3.56 5.43 -5.35 -0.93 -4.85 119.36 115.84 1xtf n ILE 466 Ca -0.06 -0.02 -0.07 0.00 -0.27 0.00 0.00 62.75 62.32 1xtf n ILE 466 Cb 0.44 -0.03 -0.03 0.00 -1.74 0.00 0.00 39.64 38.28 1xtf n ILE 466 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1xtf s HIS 467 N -2.84 -0.25 0.07 4.28 5.04 -1.22 -4.43 115.29 115.94 1xtf s HIS 467 Ca 0.17 0.24 -0.37 0.00 -1.54 0.00 0.00 55.06 53.56 1xtf s HIS 467 Cb 0.19 0.51 -0.17 0.00 0.04 0.00 0.00 32.58 33.14 1xtf s HIS 467 CO 0.58 -0.34 1.24 -1.71 -2.34 0.00 0.00 174.74 172.17 1xtf n ASN 468 N 0.07 1.14 0.00 9.88 4.05 -1.26 -1.04 115.26 128.10 1xtf n ASN 468 Ca -0.05 1.13 0.00 0.00 0.45 0.00 0.00 54.58 56.11 1xtf n ASN 468 Cb 0.59 -1.12 0.00 0.00 1.23 0.00 0.00 39.78 40.49 1xtf n ASN 468 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1xtf n LYS 469 N 2.16 -0.15 -4.13 1.20 4.76 -1.26 -4.92 118.16 115.82 1xtf n LYS 469 Ca 0.18 0.04 -0.31 0.00 -2.87 0.00 0.00 58.31 55.35 1xtf n LYS 469 Cb 0.17 -4.00 -0.16 0.00 -1.84 0.00 0.00 35.03 29.20 1xtf n LYS 469 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1xtf s ILE 470 N -1.77 1.76 0.18 -0.18 1.01 -0.21 -0.80 121.20 121.19 1xtf s ILE 470 Ca 0.00 -0.76 0.11 0.00 0.00 0.00 0.00 60.65 60.00 1xtf s ILE 470 Cb 0.00 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1xtf s ILE 470 CO 0.00 0.49 -0.21 0.26 0.00 0.00 0.00 174.94 175.48 1xtf s TRP 471 N 1.34 2.39 -0.13 3.97 0.52 0.03 -2.20 118.94 124.86 1xtf s TRP 471 Ca 0.03 -0.33 0.01 0.00 0.02 0.00 0.00 56.10 55.84 1xtf s TRP 471 Cb -0.13 -1.20 0.02 0.00 -1.15 0.00 0.00 33.47 31.01 1xtf s TRP 471 CO -0.10 0.47 -0.15 0.08 0.02 0.00 0.00 176.95 177.27 1xtf s VAL 472 N -1.56 1.57 -0.39 4.03 1.01 -0.20 0.24 120.40 125.10 1xtf s VAL 472 Ca 0.21 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1xtf s VAL 472 Cb -0.09 -1.45 0.10 0.00 0.00 0.00 0.00 36.38 34.95 1xtf s VAL 472 CO 0.10 0.46 0.16 -0.63 0.00 0.00 0.00 175.10 175.19 1xtf s ILE 473 N 1.16 3.09 -1.42 2.22 1.01 0.52 -1.41 121.20 126.37 1xtf s ILE 473 Ca -0.02 -2.05 -0.14 0.00 0.00 0.00 0.00 60.65 58.43 1xtf s ILE 473 Cb -0.14 -3.11 0.05 0.00 0.01 0.00 0.00 42.46 39.27 1xtf s ILE 473 CO -0.05 -0.63 2.12 -0.81 0.00 0.00 0.00 174.94 175.57 1xtf n PRO 474 N 4.54 2.96 -4.03 2.79 -0.04 -1.26 -3.36 135.00 136.60 1xtf n PRO 474 Ca -0.02 -2.79 -0.09 0.00 -0.04 0.00 0.00 63.50 60.56 1xtf n PRO 474 Cb 0.42 -3.30 -0.09 0.00 -0.04 0.00 0.00 33.50 30.49 1xtf n PRO 474 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xtf s GLU 475 N 3.20 0.95 0.29 0.54 0.41 -1.26 -4.78 118.70 118.05 1xtf s GLU 475 Ca 0.48 -1.24 -0.27 0.00 -0.41 0.00 0.00 54.97 53.52 1xtf s GLU 475 Cb 0.12 0.30 -0.09 0.00 -1.78 0.00 0.00 34.13 32.67 1xtf s GLU 475 CO -0.05 -0.29 0.93 1.03 -0.49 0.00 0.00 175.26 176.38 1xtf s ARG 476 N -3.97 4.67 -0.73 1.61 1.81 -1.26 -0.48 118.95 120.60 1xtf s ARG 476 Ca 0.16 1.37 -0.23 0.00 -1.72 0.00 0.00 55.73 55.31 1xtf s ARG 476 Cb 0.06 -2.98 0.06 0.00 -0.45 0.00 0.00 34.95 31.64 1xtf s ARG 476 CO -0.03 0.37 1.09 0.34 -0.68 0.00 0.00 175.30 176.40 1xtf s ASP 477 N -1.46 6.23 -0.13 0.23 2.15 -0.79 -4.70 116.67 118.20 1xtf s ASP 477 Ca 0.46 -0.98 0.17 0.00 0.43 0.00 0.00 52.55 52.64 1xtf s ASP 477 Cb -0.21 -2.46 0.30 0.00 -0.30 0.00 0.00 42.92 40.24 1xtf s ASP 477 CO 0.27 -1.52 1.15 0.35 -0.17 0.00 0.00 175.17 175.25 1xtf n THR 478 N 6.06 1.82 -0.03 1.71 -2.24 -1.26 -4.36 114.28 115.98 1xtf n THR 478 Ca 0.03 -2.28 -0.05 0.00 -2.27 0.00 0.00 64.05 59.48 1xtf n THR 478 Cb 0.47 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 1xtf n THR 478 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1xtf n PHE 479 N -1.29 0.00 0.31 4.78 3.72 -1.26 -4.40 117.46 119.32 1xtf n PHE 479 Ca 0.15 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.74 1xtf n PHE 479 Cb 0.66 -0.23 0.98 0.00 -0.94 0.00 0.00 39.48 39.95 1xtf n PHE 479 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1xtf h THR 480 N -0.04 0.21 -3.33 4.37 2.02 -1.92 -3.41 112.91 110.81 1xtf h THR 480 Ca -0.14 -0.20 -0.38 0.00 0.77 0.00 0.00 66.41 66.46 1xtf h THR 480 Cb 1.20 1.16 -0.38 0.00 -1.74 0.00 0.00 68.15 68.39 1xtf h THR 480 CO -0.03 0.02 -0.75 0.21 0.37 0.00 0.00 175.52 175.34 1xtf s ASN 481 N -5.62 1.12 0.59 4.18 3.84 -1.26 -5.02 114.94 112.77 1xtf s ASN 481 Ca -0.04 0.03 0.35 0.00 0.21 0.00 0.00 52.86 53.41 1xtf s ASN 481 Cb 0.13 -0.22 1.83 0.00 -0.55 0.00 0.00 41.25 42.44 1xtf s ASN 481 CO 0.49 -0.22 2.19 1.55 -2.79 0.00 0.00 177.10 178.33 1xtf h PRO 482 N 8.24 0.00 -0.08 0.43 0.13 -1.90 -0.86 132.00 137.96 1xtf h PRO 482 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1xtf h PRO 482 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1xtf h PRO 482 CO 0.23 0.04 0.00 0.39 -0.23 0.00 0.00 178.00 178.43 1xtf n GLU 483 N -3.39 1.26 -2.87 0.86 1.02 -1.26 -3.81 120.64 112.45 1xtf n GLU 483 Ca -0.02 -0.40 -0.12 0.00 -0.02 0.00 0.00 57.16 56.59 1xtf n GLU 483 Cb 0.17 -1.25 0.01 0.00 -0.02 0.00 0.00 31.44 30.35 1xtf n GLU 483 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xtf n GLU 484 N -0.31 1.07 0.00 3.49 1.02 -0.33 -4.92 120.64 120.66 1xtf n GLU 484 Ca 0.11 -3.17 0.13 0.00 -0.02 0.00 0.00 57.16 54.21 1xtf n GLU 484 Cb 0.14 -1.35 0.59 0.00 -0.02 0.00 0.00 31.44 30.80 1xtf n GLU 484 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xtf n GLY 485 N 0.06 -1.43 3.35 0.62 0.00 -1.25 -4.29 105.19 102.25 1xtf n GLY 485 Ca 0.14 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 1xtf n GLY 485 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1xtf s ASP 486 N -2.99 1.84 -0.24 1.61 1.47 -1.26 -4.86 116.67 112.24 1xtf s ASP 486 Ca 0.14 -1.66 0.13 0.00 1.18 0.00 0.00 52.55 52.34 1xtf s ASP 486 Cb 0.18 0.49 0.58 0.00 -0.34 0.00 0.00 42.92 43.83 1xtf s ASP 486 CO 0.50 -0.97 1.52 0.18 0.68 0.00 0.00 175.17 177.08 1xtf n LEU 487 N -0.67 4.45 -4.66 2.11 4.77 -1.26 -4.53 117.00 117.21 1xtf n LEU 487 Ca 0.02 -3.24 -0.43 0.00 -0.03 0.00 0.00 56.01 52.34 1xtf n LEU 487 Cb 0.64 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1xtf n LEU 487 CO 0.34 0.84 1.29 0.20 -1.33 0.00 0.00 177.39 178.73 1xtf s ASN 488 N -1.87 6.71 0.35 -1.43 0.01 -1.26 -4.50 114.94 112.95 1xtf s ASN 488 Ca 0.46 2.02 -0.26 0.00 -0.71 0.00 0.00 52.86 54.37 1xtf s ASN 488 Cb 0.38 -2.53 -0.09 0.00 0.41 0.00 0.00 41.25 39.41 1xtf s ASN 488 CO 0.08 -0.92 1.04 -2.16 -1.51 0.00 0.00 177.10 173.63 1xtf s PRO 489 N 3.97 4.37 0.91 -0.60 0.04 -1.26 -4.99 135.00 137.44 1xtf s PRO 489 Ca 0.68 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 63.16 1xtf s PRO 489 Cb -0.29 -2.76 0.14 0.00 0.04 0.00 0.00 34.50 31.63 1xtf s PRO 489 CO 0.25 0.03 1.09 -1.25 0.04 0.00 0.00 177.00 177.17 1xtf s PRO 490 N -2.14 1.11 0.74 0.56 0.04 -1.26 -4.95 135.00 129.11 1xtf s PRO 490 Ca 0.53 0.95 -0.15 0.00 0.04 0.00 0.00 61.00 62.36 1xtf s PRO 490 Cb -0.24 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1xtf s PRO 490 CO 0.30 -2.38 1.04 -2.30 0.04 0.00 0.00 177.00 173.71 1xtf n PRO 491 N -3.99 0.46 -0.27 0.56 -0.02 -1.26 -4.75 135.00 125.73 1xtf n PRO 491 Ca 0.07 0.22 0.03 0.00 -2.02 0.00 0.00 63.50 61.80 1xtf n PRO 491 Cb 0.54 -2.30 0.16 0.00 -0.02 0.00 0.00 33.50 31.89 1xtf n PRO 491 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xtf h GLU 492 N -0.37 0.67 0.00 -0.52 5.08 -1.97 -0.03 114.58 117.43 1xtf h GLU 492 Ca -0.47 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1xtf h GLU 492 Cb 1.32 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1xtf h GLU 492 CO 0.47 0.44 -0.05 0.00 -1.00 0.00 0.00 179.01 178.87 1xtf h ALA 493 N 1.46 1.25 -0.02 3.43 0.00 -2.04 -2.51 119.26 120.84 1xtf h ALA 493 Ca 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1xtf h ALA 493 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xtf h ALA 493 CO -0.27 0.07 -0.26 1.63 0.00 0.00 0.00 179.25 180.42 1xtf n LYS 494 N -3.52 1.33 -2.74 0.00 4.01 -0.05 -4.95 118.16 112.24 1xtf n LYS 494 Ca -0.02 -0.97 -0.41 0.00 -0.51 0.00 0.00 58.31 56.40 1xtf n LYS 494 Cb 0.17 -1.48 -0.04 0.00 -0.51 0.00 0.00 35.03 33.17 1xtf n LYS 494 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1xtf s GLN 495 N -2.34 4.63 0.36 1.97 -0.21 -0.95 -4.93 119.66 118.19 1xtf s GLN 495 Ca 0.25 1.41 -0.28 0.00 0.02 0.00 0.00 55.36 56.75 1xtf s GLN 495 Cb 0.19 -3.41 -0.11 0.00 1.00 0.00 0.00 33.01 30.68 1xtf s GLN 495 CO 0.48 0.11 1.49 0.28 -2.12 0.00 0.00 175.29 175.52 1xtf n VAL 496 N 3.26 1.86 -0.25 1.09 0.31 -1.26 -4.88 118.33 118.46 1xtf n VAL 496 Ca 0.04 -0.47 0.06 0.00 -0.01 0.00 0.00 64.34 63.96 1xtf n VAL 496 Cb 0.50 -1.94 0.19 0.00 -0.91 0.00 0.00 33.84 31.68 1xtf n VAL 496 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1xtf h PRO 497 N 3.16 0.33 -4.24 5.55 0.11 -1.95 -3.16 132.00 131.81 1xtf h PRO 497 Ca -0.50 -0.02 -0.76 0.00 0.11 0.00 0.00 66.00 64.83 1xtf h PRO 497 Cb 1.24 -0.08 -0.22 0.00 0.11 0.00 0.00 31.00 32.05 1xtf h PRO 497 CO 0.66 0.22 0.78 0.08 -0.21 0.00 0.00 178.00 179.53 1xtf s VAL 498 N -6.02 5.42 0.17 3.15 1.01 -1.26 -4.72 120.40 118.15 1xtf s VAL 498 Ca -0.13 -2.74 -0.20 0.00 0.00 0.00 0.00 61.98 58.91 1xtf s VAL 498 Cb 0.21 -4.72 0.05 0.00 0.00 0.00 0.00 36.38 31.92 1xtf s VAL 498 CO 0.76 -1.37 0.56 -0.94 0.00 0.00 0.00 175.10 174.12 1xtf s SER 499 N 2.31 -0.42 -0.15 3.32 1.04 -1.20 -4.96 113.70 113.65 1xtf s SER 499 Ca 0.33 -0.22 -0.08 0.00 0.48 0.00 0.00 55.95 56.47 1xtf s SER 499 Cb -0.07 0.59 0.06 0.00 0.10 0.00 0.00 66.02 66.70 1xtf s SER 499 CO -0.05 -1.01 0.35 -0.47 0.98 0.00 0.00 173.24 173.03 1xtf s TYR 500 N -3.80 -0.51 0.01 5.02 5.04 -1.26 -5.00 117.35 116.86 1xtf s TYR 500 Ca 0.04 1.11 0.08 0.00 -2.44 0.00 0.00 57.07 55.86 1xtf s TYR 500 Cb -0.01 0.18 -0.02 0.00 0.35 0.00 0.00 41.96 42.46 1xtf s TYR 500 CO -0.09 -0.31 -0.24 0.71 -1.34 0.00 0.00 175.55 174.29 1xtf s TYR 501 N 1.44 2.12 -0.32 4.97 1.51 -1.26 -0.46 117.35 125.34 1xtf s TYR 501 Ca -0.09 -0.40 -0.07 0.00 -1.01 0.00 0.00 57.07 55.51 1xtf s TYR 501 Cb -0.09 -1.32 0.19 0.00 -0.11 0.00 0.00 41.96 40.63 1xtf s TYR 501 CO -0.11 0.04 0.95 0.34 -1.11 0.00 0.00 175.55 175.66 1xtf s ASP 502 N -0.89 -0.63 0.62 2.29 2.15 -1.26 -5.02 116.67 113.93 1xtf s ASP 502 Ca 0.10 -0.12 0.30 0.00 0.43 0.00 0.00 52.55 53.25 1xtf s ASP 502 Cb -0.09 1.09 1.64 0.00 -0.30 0.00 0.00 42.92 45.26 1xtf s ASP 502 CO 0.01 -0.09 1.91 0.77 -0.17 0.00 0.00 175.17 177.60 1xtf h SER 503 N 6.58 0.00 1.39 -0.34 4.64 -1.90 -2.51 113.55 121.41 1xtf h SER 503 Ca -0.05 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.22 1xtf h SER 503 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1xtf h SER 503 CO -0.04 0.00 -0.63 0.74 -0.87 0.00 0.00 176.83 176.03 1xtf h THR 504 N 0.00 0.30 -3.93 2.95 2.02 -1.95 -3.47 112.91 108.83 1xtf h THR 504 Ca 0.00 -1.47 -0.54 0.00 0.77 0.00 0.00 66.41 65.16 1xtf h THR 504 Cb 0.54 1.98 0.11 0.00 -1.74 0.00 0.00 68.15 69.05 1xtf h THR 504 CO 0.00 0.17 0.75 0.00 0.37 0.00 0.00 175.52 176.81 1xtf n TYR 505 N -2.98 2.90 -3.06 3.16 9.36 -0.95 -2.87 117.16 122.72 1xtf n TYR 505 Ca 0.00 0.44 -0.23 0.00 3.32 0.00 0.00 57.90 61.44 1xtf n TYR 505 Cb 0.64 -2.51 0.04 0.00 -0.63 0.00 0.00 39.34 36.88 1xtf n TYR 505 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1xtf n LEU 506 N 0.24 -2.74 -0.16 2.98 4.77 -1.26 -4.90 117.00 115.93 1xtf n LEU 506 Ca 0.02 -0.31 0.06 0.00 -0.03 0.00 0.00 56.01 55.76 1xtf n LEU 506 Cb 0.40 -2.99 -0.04 0.00 -2.33 0.00 0.00 43.42 38.46 1xtf n LEU 506 CO 0.62 0.26 0.11 -1.54 -1.33 0.00 0.00 177.39 175.51 1xtf n SER 507 N -2.57 1.03 -4.59 -1.43 3.41 -1.14 -4.57 113.62 103.77 1xtf n SER 507 Ca -0.11 -1.01 -0.28 0.00 -0.26 0.00 0.00 58.87 57.21 1xtf n SER 507 Cb 0.62 0.73 -0.09 0.00 -0.26 0.00 0.00 64.21 65.20 1xtf n SER 507 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1xtf s THR 508 N -1.91 3.36 0.42 6.66 -4.23 -1.26 -5.02 115.64 113.66 1xtf s THR 508 Ca 0.08 -1.47 0.15 0.00 -1.18 0.00 0.00 61.69 59.27 1xtf s THR 508 Cb 0.10 -2.64 0.34 0.00 1.34 0.00 0.00 72.50 71.65 1xtf s THR 508 CO 0.42 -0.03 1.94 0.44 -0.54 0.00 0.00 174.62 176.85 1xtf h ASP 509 N 3.13 0.40 -0.13 3.99 3.32 -1.99 -0.55 116.42 124.59 1xtf h ASP 509 Ca -0.48 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.47 1xtf h ASP 509 Cb 1.19 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1xtf h ASP 509 CO 0.54 0.22 -0.34 0.78 -1.72 0.00 0.00 179.24 178.72 1xtf h ASN 510 N 0.43 0.66 -0.14 6.45 2.35 -1.99 -0.82 115.58 122.52 1xtf h ASN 510 Ca 0.34 -0.27 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 1xtf h ASN 510 Cb 0.73 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 1xtf h ASN 510 CO -0.11 0.95 -0.15 -0.33 -1.65 0.00 0.00 177.43 176.13 1xtf h GLU 511 N 0.53 0.35 -0.93 0.81 5.08 -1.55 -2.61 114.58 116.26 1xtf h GLU 511 Ca 0.06 -0.19 0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1xtf h GLU 511 Cb 0.84 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.03 1xtf h GLU 511 CO 0.07 0.75 0.58 0.87 -1.00 0.00 0.00 179.01 180.28 1xtf h LYS 512 N -0.03 0.97 -0.16 2.33 1.57 -1.16 0.30 116.57 120.39 1xtf h LYS 512 Ca 0.02 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1xtf h LYS 512 Cb 0.69 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1xtf h LYS 512 CO 0.04 0.64 -0.26 0.22 -0.57 0.00 0.00 179.45 179.52 1xtf h ASP 513 N 1.00 0.29 0.87 0.86 3.58 -1.13 -0.23 116.42 121.66 1xtf h ASP 513 Ca 0.43 -0.09 -0.21 0.00 0.42 0.00 0.00 57.03 57.58 1xtf h ASP 513 Cb 0.29 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 1xtf h ASP 513 CO -0.21 0.55 -0.98 -1.13 -2.88 0.00 0.00 179.24 174.58 1xtf h ASN 514 N 0.26 0.08 0.41 2.28 -0.73 -0.62 -2.71 115.58 114.56 1xtf h ASN 514 Ca 0.04 -0.08 -0.02 0.00 1.87 0.00 0.00 56.30 58.11 1xtf h ASN 514 Cb 0.60 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.17 1xtf h ASN 514 CO 0.04 1.01 -0.20 0.22 -0.37 0.00 0.00 177.43 178.14 1xtf h TYR 515 N 0.02 -0.51 -0.38 0.67 3.20 0.05 0.10 116.97 120.12 1xtf h TYR 515 Ca -0.03 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.90 1xtf h TYR 515 Cb 1.71 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 40.08 1xtf h TYR 515 CO 0.01 -0.27 -0.03 1.25 -1.64 0.00 0.00 178.16 177.49 1xtf h LEU 516 N -0.64 -0.21 -1.01 2.82 5.85 -1.10 0.11 115.31 121.12 1xtf h LEU 516 Ca -0.06 0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 1xtf h LEU 516 Cb 0.47 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1xtf h LEU 516 CO 0.09 -0.07 -0.49 0.11 -0.34 0.00 0.00 178.44 177.75 1xtf h LYS 517 N 0.07 0.00 -0.02 1.25 1.57 -1.44 -1.64 116.57 116.36 1xtf h LYS 517 Ca 0.18 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1xtf h LYS 517 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1xtf h LYS 517 CO -0.33 0.49 -0.00 0.78 -0.57 0.00 0.00 179.45 179.82 1xtf h GLY 518 N 1.50 0.04 1.01 3.86 0.00 0.51 -1.68 103.07 108.31 1xtf h GLY 518 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1xtf h GLY 518 CO 0.06 0.03 0.47 -2.08 0.00 0.00 0.00 176.54 175.02 1xtf h VAL 519 N -0.31 1.23 -0.64 4.60 2.07 -0.71 -1.71 116.25 120.78 1xtf h VAL 519 Ca 0.00 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1xtf h VAL 519 Cb 0.36 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1xtf h VAL 519 CO 0.00 0.24 0.32 0.74 0.02 0.00 0.00 177.57 178.90 1xtf h THR 520 N 1.10 1.21 -0.21 2.57 2.02 -1.30 -0.89 112.91 117.42 1xtf h THR 520 Ca 0.29 -0.59 -0.08 0.00 0.77 0.00 0.00 66.41 66.80 1xtf h THR 520 Cb -0.02 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1xtf h THR 520 CO -0.05 0.24 -0.23 0.50 0.37 0.00 0.00 175.52 176.36 1xtf h LYS 521 N 0.88 0.37 -0.18 6.66 3.64 -0.92 -1.72 116.57 125.30 1xtf h LYS 521 Ca 0.22 -0.12 -0.15 0.00 -1.27 0.00 0.00 60.65 59.32 1xtf h LYS 521 Cb 0.10 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1xtf h LYS 521 CO -0.03 0.58 -0.53 -0.07 -2.27 0.00 0.00 179.45 177.13 1xtf h LEU 522 N 0.34 0.57 -0.73 5.20 3.38 -0.61 -1.44 115.31 122.02 1xtf h LEU 522 Ca 0.05 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1xtf h LEU 522 Cb 0.59 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1xtf h LEU 522 CO 0.04 1.00 0.40 -0.26 0.09 0.00 0.00 178.44 179.71 1xtf h PHE 523 N 0.40 1.00 -0.45 1.13 0.04 -0.81 0.31 116.94 118.57 1xtf h PHE 523 Ca 0.01 -0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 1xtf h PHE 523 Cb 1.06 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.87 1xtf h PHE 523 CO 0.04 0.71 -0.01 0.93 -0.60 0.00 0.00 178.31 179.38 1xtf h GLU 524 N 1.01 0.74 -0.43 1.51 4.39 -1.10 0.40 114.58 121.11 1xtf h GLU 524 Ca 0.26 -0.20 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 1xtf h GLU 524 Cb 0.04 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1xtf h GLU 524 CO -0.04 0.76 -0.02 -0.09 -1.16 0.00 0.00 179.01 178.46 1xtf h ARG 525 N 0.70 0.77 0.20 2.33 2.43 -0.39 0.48 114.38 120.89 1xtf h ARG 525 Ca 0.14 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1xtf h ARG 525 Cb 0.44 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1xtf h ARG 525 CO 0.02 0.86 -0.09 0.82 -1.51 0.00 0.00 179.97 180.06 1xtf h ILE 526 N 0.60 0.88 -0.15 1.20 2.04 -0.63 -2.91 117.51 118.54 1xtf h ILE 526 Ca 0.12 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.64 1xtf h ILE 526 Cb 0.52 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1xtf h ILE 526 CO 0.03 0.09 0.17 0.22 0.00 0.00 0.00 178.15 178.66 1xtf h TYR 527 N -0.45 0.00 0.00 1.37 3.20 -0.08 -2.04 116.97 118.97 1xtf h TYR 527 Ca -0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1xtf h TYR 527 Cb 0.35 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1xtf h TYR 527 CO -0.01 0.00 0.00 -1.13 -1.64 0.00 0.00 178.16 175.38 1xtf n SER 528 N -3.80 0.00 -4.82 -2.11 3.41 0.15 -3.99 113.62 102.46 1xtf n SER 528 Ca 0.01 0.10 -0.25 0.00 -0.26 0.00 0.00 58.87 58.47 1xtf n SER 528 Cb 0.29 -0.33 -0.05 0.00 -0.26 0.00 0.00 64.21 63.86 1xtf n SER 528 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1xtf s THR 529 N -2.66 4.52 0.25 6.66 -4.23 -0.77 -5.01 115.64 114.41 1xtf s THR 529 Ca 0.18 -1.17 -0.04 0.00 -1.18 0.00 0.00 61.69 59.47 1xtf s THR 529 Cb 0.14 -3.36 0.19 0.00 1.34 0.00 0.00 72.50 70.81 1xtf s THR 529 CO 0.33 -0.19 1.84 0.44 -0.54 0.00 0.00 174.62 176.51 1xtf h ASP 530 N 2.07 0.99 -0.23 3.99 3.32 -1.86 -2.27 116.42 122.43 1xtf h ASP 530 Ca -0.48 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.42 1xtf h ASP 530 Cb 1.21 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 1xtf h ASP 530 CO 0.62 0.85 0.03 0.25 -1.72 0.00 0.00 179.24 179.27 1xtf h LEU 531 N 1.07 0.37 -1.16 1.55 5.85 -1.94 -2.83 115.31 118.22 1xtf h LEU 531 Ca 0.26 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1xtf h LEU 531 Cb 0.14 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1xtf h LEU 531 CO -0.03 0.55 -0.31 1.23 -0.34 0.00 0.00 178.44 179.54 1xtf h GLY 532 N 0.18 0.19 1.08 3.75 0.00 -1.62 -1.46 103.07 105.20 1xtf h GLY 532 Ca 0.07 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.13 1xtf h GLY 532 CO 0.01 0.14 -0.15 -0.09 0.00 0.00 0.00 176.54 176.44 1xtf h ARG 533 N 0.16 0.97 -0.23 4.80 2.43 -1.38 -1.20 114.38 119.92 1xtf h ARG 533 Ca 0.02 -0.39 -0.04 0.00 -0.81 0.00 0.00 59.98 58.77 1xtf h ARG 533 Cb 0.64 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1xtf h ARG 533 CO 0.05 1.06 -0.01 0.52 -1.51 0.00 0.00 179.97 180.07 1xtf h MET 534 N 0.82 0.41 -0.07 0.20 2.86 -1.23 -1.63 114.93 116.29 1xtf h MET 534 Ca 0.12 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1xtf h MET 534 Cb 0.72 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.34 1xtf h MET 534 CO 0.06 0.61 0.04 1.25 1.06 0.00 0.00 176.91 179.92 1xtf h LEU 535 N 0.18 0.08 -1.49 1.22 5.85 -1.19 -0.16 115.31 119.80 1xtf h LEU 535 Ca 0.06 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1xtf h LEU 535 Cb 0.43 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1xtf h LEU 535 CO 0.01 0.09 0.05 -0.07 -0.34 0.00 0.00 178.44 178.19 1xtf h LEU 536 N 0.06 0.35 -0.42 2.25 3.38 -1.21 0.79 115.31 120.52 1xtf h LEU 536 Ca 0.02 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1xtf h LEU 536 Cb 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1xtf h LEU 536 CO -0.00 0.37 -0.03 0.74 0.09 0.00 0.00 178.44 179.61 1xtf h THR 537 N 0.38 1.27 -0.53 0.22 2.02 -0.79 -0.66 112.91 114.82 1xtf h THR 537 Ca 0.09 -1.08 -0.06 0.00 0.77 0.00 0.00 66.41 66.13 1xtf h THR 537 Cb 0.18 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1xtf h THR 537 CO -0.00 0.37 0.07 0.28 0.37 0.00 0.00 175.52 176.61 1xtf h SER 538 N 0.59 0.80 -0.47 4.18 0.02 -0.14 -1.97 113.55 116.57 1xtf h SER 538 Ca 0.11 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.80 1xtf h SER 538 Cb 0.53 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1xtf h SER 538 CO 0.03 0.82 -0.07 0.40 -1.14 0.00 0.00 176.83 176.87 1xtf h ILE 539 N 0.80 1.27 -0.16 3.27 2.04 -0.60 -1.73 117.51 122.40 1xtf h ILE 539 Ca 0.17 -1.17 -0.10 0.00 1.00 0.00 0.00 64.86 64.75 1xtf h ILE 539 Cb 0.38 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1xtf h ILE 539 CO 0.01 0.41 -0.34 0.58 0.00 0.00 0.00 178.15 178.80 1xtf h VAL 540 N 0.73 1.29 0.00 1.67 2.07 -0.81 -2.38 116.25 118.81 1xtf h VAL 540 Ca 0.12 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1xtf h VAL 540 Cb 0.60 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1xtf h VAL 540 CO 0.04 0.43 0.00 0.54 0.02 0.00 0.00 177.57 178.59 1xtf n ARG 541 N -4.07 0.21 -0.58 1.57 1.74 -0.77 -4.35 116.66 110.41 1xtf n ARG 541 Ca -0.01 0.17 -0.05 0.00 -0.77 0.00 0.00 57.85 57.19 1xtf n ARG 541 Cb 0.44 -1.74 -0.07 0.00 -1.02 0.00 0.00 32.46 30.07 1xtf n ARG 541 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xtf n GLY 542 N 1.34 2.26 3.67 -0.13 0.00 -0.66 -4.61 105.19 107.06 1xtf n GLY 542 Ca 0.06 -0.52 -0.46 0.00 0.00 0.00 0.00 46.02 45.09 1xtf n GLY 542 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xtf n ILE 543 N 2.22 0.16 -1.72 -0.61 2.08 -1.26 -4.75 119.36 115.48 1xtf n ILE 543 Ca 0.19 -0.03 -0.43 0.00 0.56 0.00 0.00 62.75 63.04 1xtf n ILE 543 Cb 0.55 -1.66 -0.02 0.00 -0.75 0.00 0.00 39.64 37.77 1xtf n ILE 543 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1xtf n PRO 544 N 4.31 2.44 -1.46 0.38 -0.02 -1.26 -4.91 135.00 134.48 1xtf n PRO 544 Ca 0.18 0.87 -0.36 0.00 -2.02 0.00 0.00 63.50 62.17 1xtf n PRO 544 Cb 0.29 -2.59 0.08 0.00 -0.02 0.00 0.00 33.50 31.27 1xtf n PRO 544 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xtf n PHE 545 N 1.79 1.11 -2.53 6.00 7.35 -0.02 -4.90 117.46 126.26 1xtf n PHE 545 Ca 0.09 0.41 -0.42 0.00 -0.76 0.00 0.00 57.45 56.76 1xtf n PHE 545 Cb 0.35 -2.14 0.01 0.00 0.35 0.00 0.00 39.48 38.05 1xtf n PHE 545 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 1xtf n TRP 546 N -2.36 2.67 -2.03 -5.13 7.02 -1.26 -4.59 117.44 111.76 1xtf n TRP 546 Ca 0.14 -2.71 -0.28 0.00 -1.02 0.00 0.00 57.50 53.63 1xtf n TRP 546 Cb 0.49 -1.70 0.03 0.00 -2.42 0.00 0.00 31.31 27.70 1xtf n TRP 546 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1xtf n GLY 547 N 2.21 6.11 1.55 6.99 0.00 -1.19 -2.90 105.19 117.96 1xtf n GLY 547 Ca 0.37 -2.62 0.10 0.00 0.00 0.00 0.00 46.02 43.86 1xtf n GLY 547 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xtf n GLY 548 N -0.66 2.74 3.92 -0.02 0.00 0.63 -4.95 105.19 106.87 1xtf n GLY 548 Ca 0.47 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 1xtf n GLY 548 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xtf s SER 549 N -0.94 6.29 0.22 1.61 0.15 -1.26 -4.91 113.70 114.87 1xtf s SER 549 Ca 0.51 0.19 0.16 0.00 0.70 0.00 0.00 55.95 57.51 1xtf s SER 549 Cb 0.32 -1.90 0.01 0.00 -1.71 0.00 0.00 66.02 62.74 1xtf s SER 549 CO 0.26 0.10 1.28 0.71 1.20 0.00 0.00 173.24 176.79 1xtf h THR 550 N 1.85 0.76 -3.20 6.45 1.35 -1.93 -3.43 112.91 114.75 1xtf h THR 550 Ca -0.47 -2.14 -0.58 0.00 -0.55 0.00 0.00 66.41 62.67 1xtf h THR 550 Cb 1.18 2.30 -0.07 0.00 -1.73 0.00 0.00 68.15 69.84 1xtf h THR 550 CO 0.71 0.43 0.73 -0.63 -0.25 0.00 0.00 175.52 176.52 1xtf s ILE 551 N -2.96 4.66 -0.97 6.82 1.01 -1.26 -4.93 121.20 123.58 1xtf s ILE 551 Ca 0.02 1.81 0.04 0.00 0.00 0.00 0.00 60.65 62.52 1xtf s ILE 551 Cb 0.08 -4.30 0.03 0.00 0.01 0.00 0.00 42.46 38.28 1xtf s ILE 551 CO 0.76 -0.25 1.12 -0.90 0.00 0.00 0.00 174.94 175.67 1xtf n ASP 552 N 6.42 0.02 -0.78 3.58 5.75 -1.26 -2.22 116.55 128.07 1xtf n ASP 552 Ca 0.10 0.51 0.08 0.00 -0.01 0.00 0.00 54.79 55.48 1xtf n ASP 552 Cb 0.47 -0.51 0.23 0.00 -1.03 0.00 0.00 41.12 40.27 1xtf n ASP 552 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1xtf n THR 553 N -1.53 2.04 -5.14 2.12 -2.24 -1.26 -4.82 114.28 103.44 1xtf n THR 553 Ca 0.01 -1.76 -0.31 0.00 -2.27 0.00 0.00 64.05 59.72 1xtf n THR 553 Cb 0.03 -0.13 -0.17 0.00 -2.10 0.00 0.00 70.33 67.97 1xtf n THR 553 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1xtf s GLU 554 N -2.52 2.64 -0.16 -0.78 2.12 -0.94 0.17 118.70 119.23 1xtf s GLU 554 Ca 0.38 -0.82 -0.14 0.00 0.36 0.00 0.00 54.97 54.75 1xtf s GLU 554 Cb 0.30 -2.10 -0.05 0.00 0.26 0.00 0.00 34.13 32.54 1xtf s GLU 554 CO 0.09 0.24 0.30 -0.51 -0.54 0.00 0.00 175.26 174.85 1xtf s LEU 555 N 0.17 4.24 -0.14 2.70 1.43 -0.75 -4.52 118.68 121.81 1xtf s LEU 555 Ca -0.12 0.51 -0.09 0.00 -1.03 0.00 0.00 54.13 53.40 1xtf s LEU 555 Cb -0.16 -2.39 0.05 0.00 0.03 0.00 0.00 46.19 43.72 1xtf s LEU 555 CO 0.06 0.08 0.35 -0.75 0.23 0.00 0.00 176.35 176.32 1xtf s LYS 556 N 0.54 0.35 0.74 1.70 2.20 -1.14 -1.47 119.74 122.66 1xtf s LYS 556 Ca 0.17 0.62 -0.15 0.00 -0.36 0.00 0.00 55.97 56.25 1xtf s LYS 556 Cb -0.13 0.03 0.05 0.00 -1.51 0.00 0.00 37.83 36.26 1xtf s LYS 556 CO 0.04 -0.12 1.21 0.54 -0.36 0.00 0.00 175.35 176.66 1xtf s VAL 557 N 0.94 2.28 -0.23 4.02 0.11 -1.26 -0.27 120.40 126.00 1xtf s VAL 557 Ca -0.06 0.13 -0.13 0.00 -2.93 0.00 0.00 61.98 58.99 1xtf s VAL 557 Cb -0.07 -2.68 -0.04 0.00 -1.53 0.00 0.00 36.38 32.06 1xtf s VAL 557 CO -0.07 -0.08 0.27 -0.63 -3.33 0.00 0.00 175.10 171.26 1xtf s ILE 558 N -2.02 5.28 0.36 7.04 1.01 -1.26 -4.37 121.20 127.24 1xtf s ILE 558 Ca 0.74 0.42 0.15 0.00 0.00 0.00 0.00 60.65 61.95 1xtf s ILE 558 Cb -0.29 -3.60 0.36 0.00 0.01 0.00 0.00 42.46 38.93 1xtf s ILE 558 CO 0.46 0.30 1.74 -2.24 0.00 0.00 0.00 174.94 175.20 1xtf h ASP 559 N 7.49 0.54 0.00 3.58 2.03 -1.96 -1.45 116.42 126.65 1xtf h ASP 559 Ca -0.37 0.11 0.00 0.00 -0.73 0.00 0.00 57.03 56.04 1xtf h ASP 559 Cb 1.17 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 1xtf h ASP 559 CO 0.68 0.07 0.00 0.35 -1.03 0.00 0.00 179.24 179.31 1xtf n THR 560 N -4.76 0.00 -0.70 1.15 -2.24 -1.26 -2.12 114.28 104.35 1xtf n THR 560 Ca 0.27 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.13 1xtf n THR 560 Cb 0.85 -0.31 0.31 0.00 -2.10 0.00 0.00 70.33 69.08 1xtf n THR 560 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xtf n ASN 561 N -0.72 4.42 -4.21 3.42 5.03 -0.55 -4.59 115.26 118.06 1xtf n ASN 561 Ca 0.09 -2.60 -0.21 0.00 0.87 0.00 0.00 54.58 52.73 1xtf n ASN 561 Cb 0.04 -0.53 -0.09 0.00 -1.02 0.00 0.00 39.78 38.17 1xtf n ASN 561 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xtf s ILE 563 N -3.45 1.04 -0.43 0.00 -4.36 0.44 -4.27 121.20 110.18 1xtf s ILE 563 Ca 0.33 -1.70 -0.15 0.00 -0.26 0.00 0.00 60.65 58.87 1xtf s ILE 563 Cb 0.06 -1.44 0.04 0.00 1.25 0.00 0.00 42.46 42.36 1xtf s ILE 563 CO 0.15 -0.55 0.32 0.20 0.24 0.00 0.00 174.94 175.31 1xtf s ASN 564 N -2.52 6.08 -0.20 4.36 0.01 -0.84 -0.37 114.94 121.46 1xtf s ASN 564 Ca 0.07 -1.06 -0.25 0.00 -0.71 0.00 0.00 52.86 50.91 1xtf s ASN 564 Cb -0.03 -2.15 -0.01 0.00 0.41 0.00 0.00 41.25 39.47 1xtf s ASN 564 CO 0.01 -0.51 0.83 -0.69 -1.51 0.00 0.00 177.10 175.23 1xtf s VAL 565 N 1.65 4.86 0.05 1.60 1.01 0.49 -1.69 120.40 128.38 1xtf s VAL 565 Ca 0.04 1.62 -0.31 0.00 0.00 0.00 0.00 61.98 63.33 1xtf s VAL 565 Cb -0.21 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 31.98 1xtf s VAL 565 CO 0.08 -0.02 1.35 -0.63 0.00 0.00 0.00 175.10 175.89 1xtf s ILE 566 N 2.43 3.66 0.55 2.22 1.01 0.03 -0.02 121.20 131.07 1xtf s ILE 566 Ca 0.37 1.13 -0.05 0.00 0.00 0.00 0.00 60.65 62.09 1xtf s ILE 566 Cb -0.16 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 1xtf s ILE 566 CO 0.10 0.04 0.86 -1.10 0.00 0.00 0.00 174.94 174.84 1xtf s GLN 567 N 1.72 3.12 0.42 2.79 -1.52 0.27 -4.69 119.66 121.77 1xtf s GLN 567 Ca 0.63 0.04 0.17 0.00 -1.95 0.00 0.00 55.36 54.25 1xtf s GLN 567 Cb -0.33 -2.31 1.08 0.00 -0.22 0.00 0.00 33.01 31.23 1xtf s GLN 567 CO 0.28 -0.53 1.86 -1.35 -0.25 0.00 0.00 175.29 175.29 1xtf h PRO 568 N -0.03 0.40 -0.93 2.91 0.11 -1.96 0.74 132.00 133.23 1xtf h PRO 568 Ca -0.46 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.44 1xtf h PRO 568 Cb 1.24 -0.09 -0.11 0.00 0.11 0.00 0.00 31.00 32.15 1xtf h PRO 568 CO 0.61 0.26 0.24 -0.40 -0.21 0.00 0.00 178.00 178.50 1xtf n ASP 569 N -4.51 3.42 0.00 -2.05 5.75 -1.26 -4.88 116.55 113.02 1xtf n ASP 569 Ca 0.19 -2.73 0.00 0.00 -0.01 0.00 0.00 54.79 52.24 1xtf n ASP 569 Cb 0.70 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1xtf n ASP 569 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xtf n GLY 570 N -0.14 1.34 3.83 6.12 0.00 0.25 -4.97 105.19 111.62 1xtf n GLY 570 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 1xtf n GLY 570 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xtf s SER 571 N -2.90 6.01 -0.18 1.61 1.04 -1.26 -4.66 113.70 113.36 1xtf s SER 571 Ca 0.00 1.61 -0.11 0.00 0.48 0.00 0.00 55.95 57.93 1xtf s SER 571 Cb 0.00 -2.50 -0.05 0.00 0.10 0.00 0.00 66.02 63.57 1xtf s SER 571 CO 0.00 -1.01 0.20 -0.31 0.98 0.00 0.00 173.24 173.09 1xtf s TYR 572 N -2.81 3.44 -0.29 5.02 2.02 -1.26 0.96 117.35 124.42 1xtf s TYR 572 Ca 0.59 0.44 -0.06 0.00 -0.37 0.00 0.00 57.07 57.68 1xtf s TYR 572 Cb -0.13 -2.23 0.01 0.00 -0.40 0.00 0.00 41.96 39.22 1xtf s TYR 572 CO 0.44 0.28 0.06 0.50 -1.57 0.00 0.00 175.55 175.26 1xtf s ARG 573 N 0.36 3.00 0.12 -0.62 3.52 0.97 -4.90 118.95 121.39 1xtf s ARG 573 Ca 0.12 -0.91 -0.31 0.00 -0.13 0.00 0.00 55.73 54.50 1xtf s ARG 573 Cb -0.12 -3.31 -0.08 0.00 -1.56 0.00 0.00 34.95 29.89 1xtf s ARG 573 CO 0.01 -0.45 1.35 0.45 -0.81 0.00 0.00 175.30 175.84 1xtf s SER 574 N 1.46 6.87 -0.01 -2.12 0.15 -1.26 -0.38 113.70 118.41 1xtf s SER 574 Ca 0.02 2.30 0.02 0.00 0.70 0.00 0.00 55.95 58.99 1xtf s SER 574 Cb -0.17 -2.59 -0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1xtf s SER 574 CO 0.01 -0.61 -0.06 -0.70 1.20 0.00 0.00 173.24 173.08 1xtf s GLU 575 N 0.87 0.49 0.21 5.44 2.12 0.50 -4.93 118.70 123.40 1xtf s GLU 575 Ca 0.62 -0.21 -0.22 0.00 0.36 0.00 0.00 54.97 55.52 1xtf s GLU 575 Cb -0.36 -0.47 -0.08 0.00 0.26 0.00 0.00 34.13 33.47 1xtf s GLU 575 CO 0.32 0.13 0.76 -1.21 -0.54 0.00 0.00 175.26 174.72 1xtf s GLU 576 N -0.13 4.39 0.09 4.30 2.02 -1.26 -0.42 118.70 127.69 1xtf s GLU 576 Ca 0.02 1.02 -0.14 0.00 0.02 0.00 0.00 54.97 55.88 1xtf s GLU 576 Cb -0.02 -3.00 0.02 0.00 0.10 0.00 0.00 34.13 31.23 1xtf s GLU 576 CO -0.00 0.44 0.34 -0.48 0.02 0.00 0.00 175.26 175.58 1xtf s LEU 577 N -1.70 0.70 -0.19 1.80 2.34 -1.17 -4.82 118.68 115.63 1xtf s LEU 577 Ca 0.41 -0.31 -0.05 0.00 0.06 0.00 0.00 54.13 54.24 1xtf s LEU 577 Cb -0.19 1.57 -0.21 0.00 -0.56 0.00 0.00 46.19 46.80 1xtf s LEU 577 CO 0.23 -0.75 0.06 0.59 -1.06 0.00 0.00 176.35 175.42 1xtf n ASN 578 N 0.07 2.04 -3.95 1.48 3.02 0.02 -4.56 115.26 113.38 1xtf n ASN 578 Ca -0.17 0.10 -0.13 0.00 -0.03 0.00 0.00 54.58 54.35 1xtf n ASN 578 Cb 0.62 -0.69 -0.13 0.00 -0.61 0.00 0.00 39.78 38.97 1xtf n ASN 578 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xtf s LEU 579 N -6.94 2.10 -0.05 3.41 2.96 -0.91 -0.87 118.68 118.38 1xtf s LEU 579 Ca -0.29 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1xtf s LEU 579 Cb 0.08 -0.08 0.01 0.00 0.50 0.00 0.00 46.19 46.70 1xtf s LEU 579 CO 0.67 -0.08 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.83 1xtf s VAL 580 N -0.57 0.94 -0.26 1.68 1.01 0.18 -0.79 120.40 122.58 1xtf s VAL 580 Ca -0.04 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 1xtf s VAL 580 Cb -0.04 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 1xtf s VAL 580 CO -0.00 0.30 0.11 -0.63 0.00 0.00 0.00 175.10 174.88 1xtf s ILE 581 N 0.59 4.54 0.13 2.22 -1.09 0.14 -0.94 121.20 126.78 1xtf s ILE 581 Ca -0.11 -0.15 0.05 0.00 -2.23 0.00 0.00 60.65 58.20 1xtf s ILE 581 Cb -0.14 -3.16 -0.04 0.00 -1.58 0.00 0.00 42.46 37.54 1xtf s ILE 581 CO 0.02 0.28 -0.11 -0.51 -1.23 0.00 0.00 174.94 173.39 1xtf s ILE 582 N 1.64 1.15 0.83 2.92 2.07 -0.42 -0.36 121.20 129.03 1xtf s ILE 582 Ca 0.06 -1.88 -0.11 0.00 -1.41 0.00 0.00 60.65 57.31 1xtf s ILE 582 Cb -0.16 -1.66 0.09 0.00 0.13 0.00 0.00 42.46 40.87 1xtf s ILE 582 CO 0.05 -0.63 1.12 -0.83 -1.91 0.00 0.00 174.94 172.74 1xtf s GLY 583 N -2.84 1.71 0.98 1.50 0.00 0.37 -1.02 107.32 108.03 1xtf s GLY 583 Ca 0.12 0.42 -0.12 0.00 0.00 0.00 0.00 44.72 45.14 1xtf s GLY 583 CO 0.01 0.80 1.08 2.56 0.00 0.00 0.00 173.10 177.55 1xtf s PRO 584 N -4.76 0.55 0.00 2.90 0.04 -1.26 -2.23 135.00 130.25 1xtf s PRO 584 Ca 0.64 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1xtf s PRO 584 Cb -0.20 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1xtf s PRO 584 CO 0.56 -2.71 0.00 0.45 0.04 0.00 0.00 177.00 175.34 1xtf n SER 585 N -4.20 0.00 -0.30 6.66 2.88 -1.26 -1.89 113.62 115.51 1xtf n SER 585 Ca 0.06 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.60 1xtf n SER 585 Cb 0.55 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.09 1xtf n SER 585 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xtf h ALA 586 N -1.64 0.34 -1.95 -1.46 0.00 -1.85 -3.30 119.26 109.40 1xtf h ALA 586 Ca 0.00 0.28 -0.58 0.00 0.00 0.00 0.00 54.91 54.61 1xtf h ALA 586 Cb 0.00 0.77 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 1xtf h ALA 586 CO 0.00 -0.51 0.73 0.34 0.00 0.00 0.00 179.25 179.80 1xtf s ASP 587 N -5.26 6.73 0.32 0.00 -1.08 -1.26 -4.41 116.67 111.71 1xtf s ASP 587 Ca -0.14 0.65 0.02 0.00 -0.52 0.00 0.00 52.55 52.56 1xtf s ASP 587 Cb 0.21 -2.50 0.56 0.00 -1.46 0.00 0.00 42.92 39.73 1xtf s ASP 587 CO 0.74 -0.95 1.89 0.40 0.52 0.00 0.00 175.17 177.77 1xtf h ILE 588 N 5.89 1.20 -0.54 4.11 2.04 -0.86 -3.06 117.51 126.28 1xtf h ILE 588 Ca -0.22 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1xtf h ILE 588 Cb 1.07 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1xtf h ILE 588 CO 1.03 0.25 0.00 2.30 0.00 0.00 0.00 178.15 181.73 1xtf n ILE 589 N -4.31 2.29 -3.08 -0.67 -5.35 -1.26 -4.71 119.36 102.26 1xtf n ILE 589 Ca 0.03 -1.22 -0.45 0.00 -0.27 0.00 0.00 62.75 60.84 1xtf n ILE 589 Cb 0.20 -0.20 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 1xtf n ILE 589 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1xtf s GLN 590 N -2.40 3.50 0.06 6.28 0.74 -1.16 -5.02 119.66 121.66 1xtf s GLN 590 Ca 0.49 -1.89 -0.13 0.00 0.05 0.00 0.00 55.36 53.88 1xtf s GLN 590 Cb 0.36 -4.64 -0.06 0.00 1.10 0.00 0.00 33.01 29.77 1xtf s GLN 590 CO 0.17 -1.58 0.43 -0.06 -0.55 0.00 0.00 175.29 173.69 1xtf s PHE 591 N 1.92 3.65 0.07 1.67 0.08 -1.26 -4.78 117.98 119.33 1xtf s PHE 591 Ca 0.24 0.92 -0.27 0.00 0.12 0.00 0.00 56.93 57.94 1xtf s PHE 591 Cb -0.10 -2.25 0.09 0.00 -0.57 0.00 0.00 43.02 40.19 1xtf s PHE 591 CO -0.06 0.56 0.99 -1.83 -0.10 0.00 0.00 175.22 174.77 1xtf s GLU 592 N -1.57 0.95 -0.32 0.44 -1.05 -1.02 -4.94 118.70 111.19 1xtf s GLU 592 Ca 0.30 -0.47 -0.06 0.00 -0.15 0.00 0.00 54.97 54.59 1xtf s GLU 592 Cb -0.15 0.35 0.03 0.00 -0.44 0.00 0.00 34.13 33.92 1xtf s GLU 592 CO 0.16 -0.43 0.08 0.00 0.95 0.00 0.00 175.26 176.03 1xtf s LYS 594 N 1.41 1.76 0.12 0.00 -2.85 -0.03 -4.94 119.74 115.21 1xtf s LYS 594 Ca -0.01 -1.95 -0.25 0.00 -1.00 0.00 0.00 55.97 52.77 1xtf s LYS 594 Cb -0.19 -1.34 0.08 0.00 -2.06 0.00 0.00 37.83 34.32 1xtf s LYS 594 CO 0.02 -0.03 0.68 -1.54 0.10 0.00 0.00 175.35 174.59 1xtf s SER 595 N -3.57 -0.50 0.23 0.03 1.04 -1.26 0.06 113.70 109.73 1xtf s SER 595 Ca 0.34 -0.02 -0.29 0.00 0.48 0.00 0.00 55.95 56.45 1xtf s SER 595 Cb 0.07 0.54 -0.09 0.00 0.10 0.00 0.00 66.02 66.64 1xtf s SER 595 CO 0.16 -0.88 0.92 -0.36 0.98 0.00 0.00 173.24 174.05 1xtf s PHE 596 N -3.58 3.98 0.67 5.02 0.08 -1.26 -5.06 117.98 117.83 1xtf s PHE 596 Ca 0.02 1.88 -0.00 0.00 0.12 0.00 0.00 56.93 58.95 1xtf s PHE 596 Cb -0.01 -2.96 0.10 0.00 -0.57 0.00 0.00 43.02 39.58 1xtf s PHE 596 CO -0.11 0.46 0.93 0.20 -0.10 0.00 0.00 175.22 176.60 1xtf s GLY 597 N -1.15 1.78 0.38 4.36 0.00 -1.26 -4.96 107.32 106.46 1xtf s GLY 597 Ca 0.41 -1.58 0.08 0.00 0.00 0.00 0.00 44.72 43.63 1xtf s GLY 597 CO 0.31 -1.10 0.21 -1.58 0.00 0.00 0.00 173.10 170.94 1xtf s HIS 598 N -3.03 2.69 -0.30 1.90 2.46 -1.25 -5.00 115.29 112.76 1xtf s HIS 598 Ca 0.63 -0.46 0.25 0.00 0.47 0.00 0.00 55.06 55.95 1xtf s HIS 598 Cb -0.07 -1.85 0.55 0.00 -0.13 0.00 0.00 32.58 31.08 1xtf s HIS 598 CO 0.43 0.19 1.69 0.93 -2.47 0.00 0.00 174.74 175.50 1xtf h GLU 599 N 1.39 0.00 0.00 2.88 3.07 -2.04 -3.40 114.58 116.47 1xtf h GLU 599 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1xtf h GLU 599 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1xtf h GLU 599 CO 0.64 0.03 -0.20 1.55 -1.40 0.00 0.00 179.01 179.63 1xtf n VAL 600 N -3.11 0.00 -2.59 3.13 3.14 -1.26 -5.09 118.33 112.55 1xtf n VAL 600 Ca 0.03 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 61.01 1xtf n VAL 600 Cb 0.49 -0.13 -0.05 0.00 -1.06 0.00 0.00 33.84 33.10 1xtf n VAL 600 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1xtf s LEU 601 N -2.88 4.58 -1.07 6.55 1.43 -1.26 -4.98 118.68 121.04 1xtf s LEU 601 Ca 0.00 2.11 -0.07 0.00 -1.03 0.00 0.00 54.13 55.14 1xtf s LEU 601 Cb 0.00 -3.62 0.27 0.00 0.03 0.00 0.00 46.19 42.88 1xtf s LEU 601 CO 0.00 -0.03 1.08 0.59 0.23 0.00 0.00 176.35 178.22 1xtf n ASN 602 N 1.51 5.35 -0.31 2.29 4.13 -1.26 -3.82 115.26 123.15 1xtf n ASN 602 Ca -0.01 -3.09 0.20 0.00 1.68 0.00 0.00 54.58 53.36 1xtf n ASN 602 Cb 0.46 -1.31 0.46 0.00 -1.54 0.00 0.00 39.78 37.85 1xtf n ASN 602 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1xtf h LEU 603 N 6.41 0.53 0.00 3.41 3.38 -1.93 0.20 115.31 127.30 1xtf h LEU 603 Ca 0.18 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1xtf h LEU 603 Cb 0.84 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1xtf h LEU 603 CO 1.01 0.15 0.00 0.35 0.09 0.00 0.00 178.44 180.04 1xtf n THR 604 N -4.65 0.26 -1.17 0.22 -2.24 -1.26 -0.00 114.28 105.44 1xtf n THR 604 Ca 0.24 0.07 0.03 0.00 -2.27 0.00 0.00 64.05 62.11 1xtf n THR 604 Cb 0.77 -0.63 0.04 0.00 -2.10 0.00 0.00 70.33 68.40 1xtf n THR 604 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xtf n ARG 605 N -1.49 0.87 -0.08 -0.78 1.74 0.01 -1.63 116.66 115.29 1xtf n ARG 605 Ca 0.06 -1.40 0.04 0.00 -0.77 0.00 0.00 57.85 55.79 1xtf n ARG 605 Cb 0.29 -0.85 0.06 0.00 -1.02 0.00 0.00 32.46 30.93 1xtf n ARG 605 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1xtf n ASN 606 N -0.47 1.72 0.00 0.55 0.23 -0.90 -4.85 115.26 111.54 1xtf n ASN 606 Ca 0.04 -2.34 0.00 0.00 -0.53 0.00 0.00 54.58 51.75 1xtf n ASN 606 Cb 0.56 -0.20 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 1xtf n ASN 606 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xtf n GLY 607 N -0.77 1.64 0.07 4.83 0.00 0.64 -4.78 105.19 106.81 1xtf n GLY 607 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 1xtf n GLY 607 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xtf h TYR 608 N 0.00 -0.02 0.00 1.61 -1.99 -1.77 -3.38 116.97 111.42 1xtf h TYR 608 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1xtf h TYR 608 Cb 0.00 0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.74 1xtf h TYR 608 CO 0.00 0.67 0.00 0.41 -0.00 0.00 0.00 178.16 179.24 1xtf n GLY 609 N 0.87 -1.43 3.34 3.88 0.00 1.00 -0.84 105.19 112.01 1xtf n GLY 609 Ca -0.09 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 1xtf n GLY 609 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xtf s SER 610 N -3.34 -0.33 0.12 1.61 1.04 -1.21 -4.22 113.70 107.37 1xtf s SER 610 Ca 0.00 0.04 -0.35 0.00 0.48 0.00 0.00 55.95 56.12 1xtf s SER 610 Cb 0.00 0.45 -0.14 0.00 0.10 0.00 0.00 66.02 66.42 1xtf s SER 610 CO 0.00 -0.69 1.56 0.41 0.98 0.00 0.00 173.24 175.50 1xtf n THR 611 N 0.45 0.06 -3.90 2.02 -1.04 -1.26 -4.50 114.28 106.11 1xtf n THR 611 Ca -0.18 -0.01 -0.36 0.00 -2.04 0.00 0.00 64.05 61.46 1xtf n THR 611 Cb 0.60 -1.43 -0.08 0.00 -1.82 0.00 0.00 70.33 67.61 1xtf n THR 611 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1xtf s GLN 612 N 1.15 3.79 -0.31 -2.82 -1.52 -0.05 -4.45 119.66 115.44 1xtf s GLN 612 Ca 0.81 -0.23 -0.04 0.00 -1.95 0.00 0.00 55.36 53.95 1xtf s GLN 612 Cb -0.74 -3.24 0.04 0.00 -0.22 0.00 0.00 33.01 28.85 1xtf s GLN 612 CO 0.41 0.49 0.04 0.71 -0.25 0.00 0.00 175.29 176.70 1xtf s TYR 613 N -0.22 3.24 -0.32 0.91 1.51 0.11 -0.65 117.35 121.94 1xtf s TYR 613 Ca 0.10 -1.64 -0.13 0.00 -1.01 0.00 0.00 57.07 54.40 1xtf s TYR 613 Cb -0.12 -2.18 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 1xtf s TYR 613 CO 0.01 -0.76 0.25 0.42 -1.11 0.00 0.00 175.55 174.36 1xtf s ILE 614 N 1.33 5.27 -0.16 2.71 1.01 -0.12 -0.85 121.20 130.39 1xtf s ILE 614 Ca -0.03 0.01 -0.28 0.00 0.00 0.00 0.00 60.65 60.34 1xtf s ILE 614 Cb -0.19 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 1xtf s ILE 614 CO 0.00 0.08 0.97 -0.13 0.00 0.00 0.00 174.94 175.86 1xtf s ARG 615 N 1.80 4.34 0.03 2.79 0.52 -0.11 -1.31 118.95 127.02 1xtf s ARG 615 Ca 0.08 1.29 -0.28 0.00 -0.52 0.00 0.00 55.73 56.30 1xtf s ARG 615 Cb -0.17 -3.58 0.07 0.00 0.52 0.00 0.00 34.95 31.80 1xtf s ARG 615 CO 0.11 -0.41 0.68 0.12 0.02 0.00 0.00 175.30 175.81 1xtf s PHE 616 N 2.39 -0.58 -0.03 -0.53 5.36 -0.19 -2.43 117.98 121.97 1xtf s PHE 616 Ca 0.45 0.75 -0.00 0.00 -0.96 0.00 0.00 56.93 57.17 1xtf s PHE 616 Cb -0.17 0.48 0.03 0.00 -0.34 0.00 0.00 43.02 43.01 1xtf s PHE 616 CO 0.13 -0.68 0.02 0.45 -1.46 0.00 0.00 175.22 173.68 1xtf s SER 617 N -1.84 0.65 0.00 6.13 0.15 -1.26 -4.00 113.70 113.52 1xtf s SER 617 Ca -0.05 0.01 0.30 0.00 0.70 0.00 0.00 55.95 56.90 1xtf s SER 617 Cb -0.00 -0.20 1.43 0.00 -1.71 0.00 0.00 66.02 65.54 1xtf s SER 617 CO -0.00 -0.15 1.96 -0.81 1.20 0.00 0.00 173.24 175.44 1xtf n PRO 618 N 4.53 1.11 0.00 5.44 -0.04 -1.26 -3.96 135.00 140.81 1xtf n PRO 618 Ca -0.19 -0.37 0.14 0.00 -0.04 0.00 0.00 63.50 63.03 1xtf n PRO 618 Cb 0.50 -1.49 0.48 0.00 -0.04 0.00 0.00 33.50 32.95 1xtf n PRO 618 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xtf n ASP 619 N -0.62 1.20 -4.13 3.54 8.00 -1.26 -4.64 116.55 118.64 1xtf n ASP 619 Ca 0.19 -1.17 -0.09 0.00 0.71 0.00 0.00 54.79 54.43 1xtf n ASP 619 Cb 0.24 0.05 -0.10 0.00 -0.02 0.00 0.00 41.12 41.29 1xtf n ASP 619 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1xtf s PHE 620 N -2.24 0.71 0.22 1.24 0.40 -1.25 -1.68 117.98 115.37 1xtf s PHE 620 Ca 0.32 -1.01 -0.14 0.00 -0.60 0.00 0.00 56.93 55.50 1xtf s PHE 620 Cb 0.20 -0.45 0.00 0.00 0.51 0.00 0.00 43.02 43.28 1xtf s PHE 620 CO 0.42 -0.29 0.47 -0.08 0.70 0.00 0.00 175.22 176.45 1xtf s THR 621 N -3.80 0.02 -0.04 0.64 -1.32 -0.74 -4.90 115.64 105.50 1xtf s THR 621 Ca 0.10 -1.21 -0.01 0.00 -1.21 0.00 0.00 61.69 59.36 1xtf s THR 621 Cb 0.07 -1.96 -0.04 0.00 -1.51 0.00 0.00 72.50 69.06 1xtf s THR 621 CO -0.07 -0.08 0.04 -0.36 -2.21 0.00 0.00 174.62 171.94 1xtf s PHE 622 N -3.96 3.22 -0.03 9.09 0.40 -1.26 -1.15 117.98 124.29 1xtf s PHE 622 Ca 0.17 0.20 -0.04 0.00 -0.60 0.00 0.00 56.93 56.66 1xtf s PHE 622 Cb -0.00 -1.76 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 1xtf s PHE 622 CO 0.04 0.52 0.19 0.20 0.70 0.00 0.00 175.22 176.87 1xtf s GLY 623 N -1.35 2.19 0.25 4.36 0.00 0.56 -1.13 107.32 112.19 1xtf s GLY 623 Ca 0.18 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 44.20 1xtf s GLY 623 CO 0.08 -0.57 0.19 -0.11 0.00 0.00 0.00 173.10 172.70 1xtf s PHE 624 N -1.27 1.34 0.20 1.90 -0.71 0.32 0.65 117.98 120.40 1xtf s PHE 624 Ca 0.25 -1.46 0.10 0.00 -1.04 0.00 0.00 56.93 54.78 1xtf s PHE 624 Cb -0.13 -0.59 -0.04 0.00 -1.21 0.00 0.00 43.02 41.05 1xtf s PHE 624 CO 0.16 -0.73 -0.12 -1.21 -1.34 0.00 0.00 175.22 171.98 1xtf s GLU 625 N -3.91 1.97 0.00 1.99 2.02 -1.26 -0.60 118.70 118.91 1xtf s GLU 625 Ca 0.39 -1.37 0.00 0.00 0.02 0.00 0.00 54.97 54.01 1xtf s GLU 625 Cb 0.05 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.21 1xtf s GLU 625 CO 0.17 0.41 0.00 -1.91 0.02 0.00 0.00 175.26 173.95 1xtf n GLU 626 N -0.09 -2.02 0.00 1.61 4.07 -0.90 -4.96 120.64 118.34 1xtf n GLU 626 Ca -0.10 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.00 1xtf n GLU 626 Cb 0.56 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.94 1xtf n GLU 626 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1xtf n SER 627 N 0.00 0.00 -4.71 4.31 2.88 -1.26 -0.26 113.62 114.58 1xtf n SER 627 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1xtf n SER 627 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1xtf n SER 627 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1xtf s LEU 628 N 0.00 4.37 -0.14 2.46 1.43 -1.26 -4.98 118.68 120.56 1xtf s LEU 628 Ca 0.00 2.55 -0.09 0.00 -1.03 0.00 0.00 54.13 55.56 1xtf s LEU 628 Cb 0.00 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.69 1xtf s LEU 628 CO 0.00 -0.83 0.35 -1.61 0.23 0.00 0.00 176.35 174.49 1xtf s GLU 629 N 1.62 0.34 0.55 1.70 2.02 -1.26 -5.01 118.70 118.65 1xtf s GLU 629 Ca 0.71 0.63 0.22 0.00 0.02 0.00 0.00 54.97 56.55 1xtf s GLU 629 Cb -0.42 0.01 1.48 0.00 0.10 0.00 0.00 34.13 35.30 1xtf s GLU 629 CO 0.31 -0.13 2.18 0.28 0.02 0.00 0.00 175.26 177.92 1xtf h VAL 630 N 5.39 0.80 -0.78 2.63 2.07 -2.03 -3.43 116.25 120.90 1xtf h VAL 630 Ca -0.35 0.00 -0.53 0.00 0.82 0.00 0.00 66.70 66.64 1xtf h VAL 630 Cb 1.18 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1xtf h VAL 630 CO 0.32 0.00 -0.22 -1.81 0.02 0.00 0.00 177.57 175.88 1xtf s ASP 631 N -6.67 4.91 -0.31 0.57 1.01 -1.26 -5.06 116.67 109.87 1xtf s ASP 631 Ca -0.05 -1.00 0.09 0.00 0.71 0.00 0.00 52.55 52.30 1xtf s ASP 631 Cb 0.16 0.23 0.46 0.00 1.01 0.00 0.00 42.92 44.79 1xtf s ASP 631 CO 0.63 -1.15 1.16 0.35 0.21 0.00 0.00 175.17 176.37 1xtf n THR 632 N -1.95 2.34 -3.70 -1.27 -2.24 -1.26 -4.89 114.28 101.30 1xtf n THR 632 Ca 0.07 -4.17 -0.28 0.00 -2.27 0.00 0.00 64.05 57.40 1xtf n THR 632 Cb 0.63 -0.87 -0.11 0.00 -2.10 0.00 0.00 70.33 67.88 1xtf n THR 632 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xtf n ASN 633 N -0.65 1.80 -2.94 3.42 3.02 -1.26 -5.01 115.26 113.64 1xtf n ASN 633 Ca 0.39 -2.92 -0.32 0.00 -0.03 0.00 0.00 54.58 51.70 1xtf n ASN 633 Cb 0.90 -0.68 -0.05 0.00 -0.61 0.00 0.00 39.78 39.34 1xtf n ASN 633 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1xtf n PRO 634 N 2.22 3.41 -0.31 3.52 -0.04 -1.26 -4.86 135.00 137.69 1xtf n PRO 634 Ca 0.24 -2.48 0.08 0.00 -0.04 0.00 0.00 63.50 61.29 1xtf n PRO 634 Cb 0.40 -2.44 0.24 0.00 -0.04 0.00 0.00 33.50 31.66 1xtf n PRO 634 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1xtf h LEU 635 N 5.38 0.57 -0.45 1.53 5.85 -2.03 -1.31 115.31 124.85 1xtf h LEU 635 Ca 0.58 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.39 1xtf h LEU 635 Cb 0.61 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1xtf h LEU 635 CO 1.18 0.23 0.00 0.18 -0.34 0.00 0.00 178.44 179.70 1xtf n LEU 636 N -4.85 0.69 0.00 2.25 4.77 -1.26 -5.04 117.00 113.56 1xtf n LEU 636 Ca 0.18 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1xtf n LEU 636 Cb 0.46 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1xtf n LEU 636 CO 0.21 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1xtf n GLY 637 N 1.06 -1.55 3.78 -0.72 0.00 -0.50 -4.92 105.19 102.35 1xtf n GLY 637 Ca 0.21 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 1xtf n GLY 637 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtf s ALA 638 N -1.80 2.67 0.65 4.61 0.00 -1.26 -5.01 121.76 121.61 1xtf s ALA 638 Ca 0.00 0.75 -0.13 0.00 0.00 0.00 0.00 51.96 52.58 1xtf s ALA 638 Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1xtf s ALA 638 CO 0.00 -0.83 1.05 0.20 0.00 0.00 0.00 175.76 176.18 1xtf s GLY 639 N -1.96 1.86 -0.28 0.00 0.00 0.64 -4.78 107.32 102.80 1xtf s GLY 639 Ca 0.71 0.20 -0.06 0.00 0.00 0.00 0.00 44.72 45.58 1xtf s GLY 639 CO 0.29 0.51 0.05 0.54 0.00 0.00 0.00 173.10 174.49 1xtf s LYS 640 N -4.64 3.08 0.39 2.90 1.02 -1.26 -2.12 119.74 119.12 1xtf s LYS 640 Ca 0.60 -0.85 0.06 0.00 0.02 0.00 0.00 55.97 55.80 1xtf s LYS 640 Cb -0.15 -3.28 -0.08 0.00 -0.52 0.00 0.00 37.83 33.81 1xtf s LYS 640 CO 0.47 -0.41 0.02 -0.06 -0.92 0.00 0.00 175.35 174.45 1xtf s PHE 641 N 1.47 2.40 0.07 3.18 0.40 0.23 -0.47 117.98 125.26 1xtf s PHE 641 Ca 0.02 -0.73 0.09 0.00 -0.60 0.00 0.00 56.93 55.71 1xtf s PHE 641 Cb -0.17 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 1xtf s PHE 641 CO 0.01 0.35 -0.25 0.00 0.70 0.00 0.00 175.22 176.03 1xtf s ALA 642 N -2.83 2.17 0.09 5.36 0.00 0.23 -0.52 121.76 126.26 1xtf s ALA 642 Ca 0.35 -1.29 -0.30 0.00 0.00 0.00 0.00 51.96 50.72 1xtf s ALA 642 Cb 0.10 -0.41 -0.06 0.00 0.00 0.00 0.00 23.12 22.75 1xtf s ALA 642 CO 0.17 0.50 1.04 0.99 0.00 0.00 0.00 175.76 178.47 1xtf s THR 643 N -0.90 4.33 -0.01 0.00 2.01 -0.28 -4.85 115.64 115.95 1xtf s THR 643 Ca 0.11 1.84 -0.30 0.00 0.31 0.00 0.00 61.69 63.65 1xtf s THR 643 Cb -0.10 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 1xtf s THR 643 CO 0.03 0.23 1.42 -0.62 -0.69 0.00 0.00 174.62 175.00 1xtf s ASP 644 N 0.39 6.83 0.53 3.53 -1.08 -1.26 -4.59 116.67 121.02 1xtf s ASP 644 Ca 0.51 2.12 0.27 0.00 -0.52 0.00 0.00 52.55 54.93 1xtf s ASP 644 Cb -0.25 -2.56 1.43 0.00 -1.46 0.00 0.00 42.92 40.07 1xtf s ASP 644 CO 0.31 -0.74 1.96 -0.65 0.52 0.00 0.00 175.17 176.57 1xtf h PRO 645 N 7.98 0.00 -0.00 4.34 0.11 -1.94 -1.05 132.00 141.44 1xtf h PRO 645 Ca -0.38 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.68 1xtf h PRO 645 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1xtf h PRO 645 CO 0.91 0.00 -0.24 0.00 -0.21 0.00 0.00 178.00 178.46 1xtf h ALA 646 N 1.67 1.61 -0.04 -0.75 0.00 -1.93 0.57 119.26 120.40 1xtf h ALA 646 Ca 0.31 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1xtf h ALA 646 Cb 1.23 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1xtf h ALA 646 CO -0.00 0.30 -0.68 0.28 0.00 0.00 0.00 179.25 179.15 1xtf h VAL 647 N 0.00 1.37 -0.56 0.00 2.07 -1.58 -0.34 116.25 117.21 1xtf h VAL 647 Ca -0.00 -2.04 -0.03 0.00 0.82 0.00 0.00 66.70 65.44 1xtf h VAL 647 Cb 0.42 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 1xtf h VAL 647 CO 0.03 0.61 0.21 0.74 0.02 0.00 0.00 177.57 179.18 1xtf h THR 648 N 0.09 1.21 -0.01 2.57 2.02 -1.37 0.12 112.91 117.54 1xtf h THR 648 Ca -0.07 -0.67 -0.17 0.00 0.77 0.00 0.00 66.41 66.27 1xtf h THR 648 Cb 1.35 0.55 0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1xtf h THR 648 CO 0.13 0.26 -0.65 0.25 0.37 0.00 0.00 175.52 175.88 1xtf h LEU 649 N 0.81 0.59 -0.98 2.58 5.85 -0.88 -3.12 115.31 120.15 1xtf h LEU 649 Ca 0.19 -0.75 0.10 0.00 0.84 0.00 0.00 57.88 58.26 1xtf h LEU 649 Cb 0.18 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 1xtf h LEU 649 CO -0.02 1.26 0.62 0.00 -0.34 0.00 0.00 178.44 179.96 1xtf h ALA 650 N 0.34 1.44 -0.02 1.25 0.00 -0.57 -0.96 119.26 120.74 1xtf h ALA 650 Ca -0.08 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1xtf h ALA 650 Cb 1.35 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1xtf h ALA 650 CO 0.13 0.27 -0.28 1.25 0.00 0.00 0.00 179.25 180.62 1xtf h HIS 651 N 1.02 -0.77 -0.79 0.00 -0.00 -1.00 -0.42 115.15 113.20 1xtf h HIS 651 Ca 0.47 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.87 1xtf h HIS 651 Cb 0.38 0.34 -0.04 0.00 -0.00 0.00 0.00 27.41 28.10 1xtf h HIS 651 CO -0.01 -0.37 0.50 1.96 -0.00 0.00 0.00 177.93 180.01 1xtf h GLN 652 N -0.42 1.05 -0.10 5.26 1.08 -1.24 -2.32 115.11 118.43 1xtf h GLN 652 Ca 0.07 -0.08 -0.09 0.00 -1.45 0.00 0.00 58.65 57.10 1xtf h GLN 652 Cb 0.51 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1xtf h GLN 652 CO -0.26 0.71 -0.34 -0.07 -0.95 0.00 0.00 178.83 177.92 1xtf h LEU 653 N 1.07 0.20 -0.52 1.46 3.38 -0.63 -1.53 115.31 118.74 1xtf h LEU 653 Ca 0.29 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1xtf h LEU 653 Cb -0.09 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1xtf h LEU 653 CO -0.06 0.53 0.14 0.40 0.09 0.00 0.00 178.44 179.54 1xtf h ILE 654 N 0.17 1.24 -0.96 1.22 2.04 -0.54 0.21 117.51 120.89 1xtf h ILE 654 Ca 0.02 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 65.07 1xtf h ILE 654 Cb 0.69 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 1xtf h ILE 654 CO 0.05 0.30 0.63 0.45 0.00 0.00 0.00 178.15 179.59 1xtf h HIS 655 N 0.71 1.19 -0.60 1.37 3.86 -1.14 -2.09 115.15 118.45 1xtf h HIS 655 Ca 0.16 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.36 1xtf h HIS 655 Cb 0.32 -0.40 -0.03 0.00 1.06 0.00 0.00 27.41 28.37 1xtf h HIS 655 CO 0.02 0.71 0.20 0.00 0.86 0.00 0.00 177.93 179.72 1xtf h ALA 656 N 1.43 0.79 -0.15 2.45 0.00 -0.28 -2.04 119.26 121.45 1xtf h ALA 656 Ca 0.37 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1xtf h ALA 656 Cb -0.05 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 1xtf h ALA 656 CO -0.10 0.45 -0.19 0.78 0.00 0.00 0.00 179.25 180.19 1xtf h GLY 657 N 0.85 -0.12 0.60 0.00 0.00 0.04 0.15 103.07 104.59 1xtf h GLY 657 Ca 0.20 0.23 0.07 0.00 0.00 0.00 0.00 47.33 47.82 1xtf h GLY 657 CO -0.01 -0.17 0.29 0.45 0.00 0.00 0.00 176.54 177.10 1xtf h HIS 658 N -0.22 0.52 -0.05 5.60 3.86 -1.20 -2.79 115.15 120.86 1xtf h HIS 658 Ca 0.11 0.02 -0.18 0.00 -1.16 0.00 0.00 60.37 59.16 1xtf h HIS 658 Cb 0.38 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1xtf h HIS 658 CO -0.31 0.22 -0.75 0.00 0.86 0.00 0.00 177.93 177.95 1xtf h ARG 659 N 0.53 0.32 -0.03 2.45 3.08 -1.00 -0.39 114.38 119.34 1xtf h ARG 659 Ca 0.28 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1xtf h ARG 659 Cb 0.23 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1xtf h ARG 659 CO -0.21 0.93 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.26 1xtf h LEU 660 N 0.21 0.05 -2.06 3.04 3.38 -0.53 -2.36 115.31 117.03 1xtf h LEU 660 Ca -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xtf h LEU 660 Cb 1.32 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1xtf h LEU 660 CO 0.12 0.34 0.00 -1.22 0.09 0.00 0.00 178.44 177.77 1xtf n TYR 661 N -4.18 0.64 -3.38 1.13 4.02 -1.07 -3.72 117.16 110.60 1xtf n TYR 661 Ca -0.02 -0.32 -0.24 0.00 -0.01 0.00 0.00 57.90 57.31 1xtf n TYR 661 Cb 0.35 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.70 1xtf n TYR 661 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xtf n GLY 662 N 1.42 -0.52 0.46 2.72 0.00 -0.89 -4.18 105.19 104.20 1xtf n GLY 662 Ca 0.19 0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.45 1xtf n GLY 662 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xtf n ILE 663 N -4.58 1.74 -1.48 -0.61 -5.35 -0.20 -0.26 119.36 108.62 1xtf n ILE 663 Ca -0.04 -2.45 -0.31 0.00 -0.27 0.00 0.00 62.75 59.68 1xtf n ILE 663 Cb 0.58 -0.08 0.06 0.00 -1.74 0.00 0.00 39.64 38.46 1xtf n ILE 663 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xtf s ALA 664 N -2.60 2.50 -0.12 -1.28 0.00 -0.65 -4.94 121.76 114.67 1xtf s ALA 664 Ca 0.33 0.20 -0.04 0.00 0.00 0.00 0.00 51.96 52.45 1xtf s ALA 664 Cb 0.31 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 1xtf s ALA 664 CO -0.03 -1.43 0.02 0.42 0.00 0.00 0.00 175.76 174.74 1xtf s ILE 665 N -2.92 4.49 0.15 0.00 -1.09 -1.26 -4.64 121.20 115.93 1xtf s ILE 665 Ca 0.60 -0.16 -0.34 0.00 -2.23 0.00 0.00 60.65 58.51 1xtf s ILE 665 Cb -0.16 -2.94 -0.15 0.00 -1.58 0.00 0.00 42.46 37.64 1xtf s ILE 665 CO 0.54 0.56 1.45 -3.20 -1.23 0.00 0.00 174.94 173.05 1xtf n ASN 666 N 2.63 2.44 0.00 3.58 2.85 -1.26 -4.70 115.26 120.79 1xtf n ASN 666 Ca -0.18 1.11 0.04 0.00 -0.11 0.00 0.00 54.58 55.43 1xtf n ASN 666 Cb 0.53 -1.33 0.18 0.00 1.24 0.00 0.00 39.78 40.40 1xtf n ASN 666 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1xtf n PRO 667 N 2.81 0.01 0.03 1.20 -0.04 -1.26 -1.70 135.00 136.06 1xtf n PRO 667 Ca 0.17 0.34 0.12 0.00 -0.04 0.00 0.00 63.50 64.09 1xtf n PRO 667 Cb 0.26 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 32.73 1xtf n PRO 667 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1xtf n ASN 668 N -1.47 0.20 -4.56 3.54 0.23 -1.26 -4.53 115.26 107.41 1xtf n ASN 668 Ca 0.02 0.53 -0.43 0.00 -0.53 0.00 0.00 54.58 54.17 1xtf n ASN 668 Cb 0.09 -0.58 -0.05 0.00 -2.08 0.00 0.00 39.78 37.17 1xtf n ASN 668 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1xtf s ARG 669 N -3.04 3.49 0.16 -3.83 1.81 -0.69 -5.01 118.95 111.84 1xtf s ARG 669 Ca 0.11 0.07 0.05 0.00 -1.72 0.00 0.00 55.73 54.24 1xtf s ARG 669 Cb 0.15 -3.93 -0.05 0.00 -0.45 0.00 0.00 34.95 30.68 1xtf s ARG 669 CO 0.48 -1.18 -0.09 0.14 -0.68 0.00 0.00 175.30 173.96 1xtf s VAL 670 N 3.59 1.22 0.03 3.52 -7.23 -1.26 -1.39 120.40 118.88 1xtf s VAL 670 Ca 0.34 -2.08 0.07 0.00 -1.81 0.00 0.00 61.98 58.51 1xtf s VAL 670 Cb -0.11 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.87 1xtf s VAL 670 CO 0.25 -0.68 -0.21 -0.36 -0.31 0.00 0.00 175.10 173.80 1xtf s PHE 671 N -3.29 1.81 0.15 2.82 0.08 0.19 -4.85 117.98 114.89 1xtf s PHE 671 Ca 0.19 -0.37 -0.30 0.00 0.12 0.00 0.00 56.93 56.57 1xtf s PHE 671 Cb 0.03 -1.09 -0.07 0.00 -0.57 0.00 0.00 43.02 41.31 1xtf s PHE 671 CO 0.02 0.07 0.99 0.21 -0.10 0.00 0.00 175.22 176.41 1xtf s LYS 672 N -1.06 4.71 -0.35 0.44 2.47 -1.26 -0.39 119.74 124.30 1xtf s LYS 672 Ca 0.07 1.52 0.06 0.00 -1.56 0.00 0.00 55.97 56.06 1xtf s LYS 672 Cb -0.09 -3.33 0.46 0.00 -1.46 0.00 0.00 37.83 33.41 1xtf s LYS 672 CO 0.01 0.24 1.38 1.33 0.16 0.00 0.00 175.35 178.47 1xtf n VAL 673 N 2.42 2.71 -2.49 4.02 0.24 0.29 -4.91 118.33 120.61 1xtf n VAL 673 Ca 0.02 -3.76 -0.43 0.00 -2.04 0.00 0.00 64.34 58.13 1xtf n VAL 673 Cb 0.48 -0.99 -0.02 0.00 -1.47 0.00 0.00 33.84 31.84 1xtf n VAL 673 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1xtf s ASN 674 N -3.14 6.84 -0.44 -1.34 3.04 -1.26 -4.79 114.94 113.84 1xtf s ASN 674 Ca 0.52 1.31 0.02 0.00 0.04 0.00 0.00 52.86 54.75 1xtf s ASN 674 Cb 0.42 -2.54 0.15 0.00 -1.54 0.00 0.00 41.25 37.74 1xtf s ASN 674 CO 0.02 -0.92 0.28 -0.89 -3.04 0.00 0.00 177.10 172.55 1xtf s THR 675 N 3.89 1.09 -0.36 -5.21 2.01 -1.26 -4.82 115.64 110.98 1xtf s THR 675 Ca 0.52 -2.59 -0.02 0.00 0.31 0.00 0.00 61.69 59.91 1xtf s THR 675 Cb -0.17 -1.76 0.00 0.00 0.01 0.00 0.00 72.50 70.59 1xtf s THR 675 CO 0.18 -1.00 0.32 0.59 -0.69 0.00 0.00 174.62 174.02 1xtf n ASN 676 N 3.33 -2.99 -2.74 3.53 4.13 -1.26 -5.02 115.26 114.24 1xtf n ASN 676 Ca 0.15 -0.15 -0.06 0.00 1.68 0.00 0.00 54.58 56.20 1xtf n ASN 676 Cb 0.38 -1.74 0.03 0.00 -1.54 0.00 0.00 39.78 36.91 1xtf n ASN 676 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xtf n ALA 677 N -2.95 -2.03 -1.10 5.41 0.00 -1.26 -5.02 120.51 113.56 1xtf n ALA 677 Ca -0.01 -1.01 -0.05 0.00 0.00 0.00 0.00 53.44 52.36 1xtf n ALA 677 Cb 0.52 -1.76 0.28 0.00 0.00 0.00 0.00 19.45 18.49 1xtf n ALA 677 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xtf n TYR 678 N 2.24 2.19 -4.53 0.00 4.02 -1.26 -4.74 117.16 115.08 1xtf n TYR 678 Ca 0.12 -1.26 -0.25 0.00 -0.01 0.00 0.00 57.90 56.50 1xtf n TYR 678 Cb 0.61 -0.65 -0.10 0.00 -0.02 0.00 0.00 39.34 39.19 1xtf n TYR 678 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1xtf s TYR 679 N -3.03 1.99 0.18 -0.72 1.51 -1.26 -5.05 117.35 110.97 1xtf s TYR 679 Ca 0.53 -1.00 -0.13 0.00 -1.01 0.00 0.00 57.07 55.47 1xtf s TYR 679 Cb 0.43 -1.37 0.17 0.00 -0.11 0.00 0.00 41.96 41.08 1xtf s TYR 679 CO 0.11 0.03 1.76 0.93 -1.11 0.00 0.00 175.55 177.27 1xtf h GLU 680 N 1.88 0.39 0.00 -0.62 5.08 -2.02 -0.63 114.58 118.67 1xtf h GLU 680 Ca -0.40 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1xtf h GLU 680 Cb 1.26 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1xtf h GLU 680 CO 0.69 0.26 0.00 -1.33 -1.00 0.00 0.00 179.01 177.63 1xtf n MET 681 N -4.97 0.00 -2.71 2.33 2.81 -1.26 -3.48 117.12 109.84 1xtf n MET 681 Ca 0.05 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.87 1xtf n MET 681 Cb 0.18 -1.00 0.08 0.00 -0.71 0.00 0.00 33.22 31.77 1xtf n MET 681 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1xtf n SER 682 N -0.38 -2.17 -4.75 7.83 3.41 -0.24 -5.07 113.62 112.24 1xtf n SER 682 Ca 0.00 -2.95 -0.41 0.00 -0.26 0.00 0.00 58.87 55.25 1xtf n SER 682 Cb 0.00 1.57 -0.02 0.00 -0.26 0.00 0.00 64.21 65.50 1xtf n SER 682 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1xtf s GLY 683 N -1.06 2.40 -0.30 5.00 0.00 -1.23 -4.68 107.32 107.44 1xtf s GLY 683 Ca 0.26 1.41 -0.02 0.00 0.00 0.00 0.00 44.72 46.37 1xtf s GLY 683 CO -0.15 2.31 0.10 1.08 0.00 0.00 0.00 173.10 176.45 1xtf s LEU 684 N -0.72 1.83 -0.20 0.66 1.43 -1.26 -5.07 118.68 115.34 1xtf s LEU 684 Ca 0.59 -1.53 -0.02 0.00 -1.03 0.00 0.00 54.13 52.14 1xtf s LEU 684 Cb -0.44 -0.74 0.06 0.00 0.03 0.00 0.00 46.19 45.10 1xtf s LEU 684 CO 0.47 -0.42 0.00 -1.83 0.23 0.00 0.00 176.35 174.81 1xtf s GLU 685 N 1.73 0.98 0.04 1.70 4.04 -1.26 0.11 118.70 126.04 1xtf s GLU 685 Ca 0.09 -0.57 -0.12 0.00 0.04 0.00 0.00 54.97 54.41 1xtf s GLU 685 Cb -0.17 -2.20 -0.06 0.00 0.02 0.00 0.00 34.13 31.73 1xtf s GLU 685 CO -0.27 -0.60 0.40 0.08 -1.84 0.00 0.00 175.26 173.03 1xtf s VAL 686 N 1.72 5.07 0.54 1.83 1.01 0.48 -4.75 120.40 126.30 1xtf s VAL 686 Ca -0.02 0.64 -0.20 0.00 0.00 0.00 0.00 61.98 62.40 1xtf s VAL 686 Cb -0.17 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1xtf s VAL 686 CO -0.07 0.44 1.19 -0.94 0.00 0.00 0.00 175.10 175.71 1xtf s SER 687 N -1.41 5.57 0.22 3.32 1.04 -1.26 -0.63 113.70 120.55 1xtf s SER 687 Ca 0.28 2.34 -0.07 0.00 0.48 0.00 0.00 55.95 58.98 1xtf s SER 687 Cb -0.15 -2.60 0.33 0.00 0.10 0.00 0.00 66.02 63.70 1xtf s SER 687 CO 0.15 -1.33 1.78 0.15 0.98 0.00 0.00 173.24 174.97 1xtf h PHE 688 N 1.29 0.62 -0.42 5.02 3.04 -1.56 -2.30 116.94 122.62 1xtf h PHE 688 Ca -0.50 0.03 0.08 0.00 3.98 0.00 0.00 57.97 61.56 1xtf h PHE 688 Cb 1.28 -0.17 -0.08 0.00 2.56 0.00 0.00 35.95 39.53 1xtf h PHE 688 CO 0.49 0.23 -0.09 0.93 -2.02 0.00 0.00 178.31 177.85 1xtf h GLU 689 N 0.60 0.01 -0.27 1.11 4.39 -1.84 -1.97 114.58 116.61 1xtf h GLU 689 Ca 0.34 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.00 1xtf h GLU 689 Cb 0.36 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1xtf h GLU 689 CO -0.26 0.01 0.00 0.93 -1.16 0.00 0.00 179.01 178.53 1xtf h GLU 690 N 0.01 0.48 -0.86 2.33 4.39 -1.84 -1.80 114.58 117.29 1xtf h GLU 690 Ca 0.21 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1xtf h GLU 690 Cb 0.31 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 1xtf h GLU 690 CO -0.43 0.64 0.54 -0.07 -1.16 0.00 0.00 179.01 178.53 1xtf h LEU 691 N 0.26 1.02 -0.36 1.33 3.38 -1.24 -0.17 115.31 119.54 1xtf h LEU 691 Ca 0.08 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 1xtf h LEU 691 Cb 0.42 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1xtf h LEU 691 CO 0.01 0.77 -0.59 -0.09 0.09 0.00 0.00 178.44 178.63 1xtf h ARG 692 N 1.18 0.74 -0.44 1.13 2.43 -1.33 -0.74 114.38 117.36 1xtf h ARG 692 Ca 0.31 -0.49 -0.06 0.00 -0.81 0.00 0.00 59.98 58.93 1xtf h ARG 692 Cb -0.08 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1xtf h ARG 692 CO -0.06 1.12 0.06 1.15 -1.51 0.00 0.00 179.97 180.72 1xtf h THR 693 N 0.56 1.25 -0.18 0.20 2.02 -0.77 -3.09 112.91 112.90 1xtf h THR 693 Ca 0.00 -0.92 -0.19 0.00 0.77 0.00 0.00 66.41 66.07 1xtf h THR 693 Cb 1.18 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 1xtf h THR 693 CO 0.12 0.32 -0.66 0.15 0.37 0.00 0.00 175.52 175.83 1xtf h PHE 694 N 0.59 0.87 0.00 3.16 3.57 -1.06 -1.00 116.94 123.06 1xtf h PHE 694 Ca 0.13 -0.35 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1xtf h PHE 694 Cb 0.40 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1xtf h PHE 694 CO 0.03 1.13 0.00 0.41 -2.23 0.00 0.00 178.31 177.65 1xtf n GLY 695 N 0.48 1.18 7.00 2.40 0.00 -0.29 -1.11 105.19 114.85 1xtf n GLY 695 Ca -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1xtf n GLY 695 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xtf n GLY 696 N 0.00 1.12 0.21 -0.02 0.00 -1.26 -2.12 105.19 103.13 1xtf n GLY 696 Ca 0.00 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.56 1xtf n GLY 696 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1xtf h HIS 697 N 0.00 0.00 0.00 1.61 3.86 -1.93 0.28 115.15 118.97 1xtf h HIS 697 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xtf h HIS 697 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1xtf h HIS 697 CO 0.00 0.00 -0.48 -0.25 0.86 0.00 0.00 177.93 178.06 1xtf n ASP 698 N -2.38 0.48 -0.39 2.45 8.00 -0.90 -3.74 116.55 120.06 1xtf n ASP 698 Ca -0.02 -0.20 0.07 0.00 0.71 0.00 0.00 54.79 55.35 1xtf n ASP 698 Cb 0.20 0.21 0.27 0.00 -0.02 0.00 0.00 41.12 41.77 1xtf n ASP 698 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xtf n ALA 699 N -1.51 2.51 1.13 2.24 0.00 0.09 -3.44 120.51 121.53 1xtf n ALA 699 Ca 0.06 -0.39 0.12 0.00 0.00 0.00 0.00 53.44 53.23 1xtf n ALA 699 Cb 0.34 -1.07 0.21 0.00 0.00 0.00 0.00 19.45 18.93 1xtf n ALA 699 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xtf n LYS 700 N 0.05 0.83 -0.04 0.00 4.76 -1.25 -3.73 118.16 118.78 1xtf n LYS 700 Ca 0.12 -0.58 0.12 0.00 -2.87 0.00 0.00 58.31 55.10 1xtf n LYS 700 Cb 0.21 -1.49 0.38 0.00 -1.84 0.00 0.00 35.03 32.29 1xtf n LYS 700 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1xtf n PHE 701 N -0.58 0.11 -3.15 2.13 3.72 -1.22 -4.85 117.46 113.63 1xtf n PHE 701 Ca 0.10 -0.05 -0.40 0.00 -0.05 0.00 0.00 57.45 57.04 1xtf n PHE 701 Cb 0.38 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.86 1xtf n PHE 701 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1xtf s ILE 702 N -1.89 5.00 -0.18 4.37 1.01 -1.24 -4.85 121.20 123.42 1xtf s ILE 702 Ca 0.35 1.04 -0.38 0.00 0.00 0.00 0.00 60.65 61.65 1xtf s ILE 702 Cb 0.20 -3.91 -0.15 0.00 0.01 0.00 0.00 42.46 38.61 1xtf s ILE 702 CO 0.31 0.03 1.72 -0.67 0.00 0.00 0.00 174.94 176.32 1xtf n ASP 703 N 5.68 2.53 -0.07 3.58 -0.08 -1.26 -4.87 116.55 122.06 1xtf n ASP 703 Ca -0.02 1.06 -0.10 0.00 -1.51 0.00 0.00 54.79 54.23 1xtf n ASP 703 Cb 0.49 -1.20 -0.03 0.00 2.34 0.00 0.00 41.12 42.72 1xtf n ASP 703 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1xtf h SER 704 N 7.23 0.30 0.63 1.67 0.02 -1.95 -1.60 113.55 119.84 1xtf h SER 704 Ca -0.47 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.43 1xtf h SER 704 Cb 1.31 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 1xtf h SER 704 CO 0.93 0.23 -0.38 -0.07 -1.14 0.00 0.00 176.83 176.41 1xtf h LEU 705 N 0.33 -0.95 -1.17 5.07 3.38 -1.99 0.22 115.31 120.21 1xtf h LEU 705 Ca 0.09 0.05 0.24 0.00 0.09 0.00 0.00 57.88 58.36 1xtf h LEU 705 Cb -0.02 0.28 -0.11 0.00 0.09 0.00 0.00 40.66 40.90 1xtf h LEU 705 CO -0.02 -0.59 0.63 1.56 0.09 0.00 0.00 178.44 180.10 1xtf h GLN 706 N -0.95 0.52 -0.58 1.13 4.20 -1.95 0.81 115.11 118.30 1xtf h GLN 706 Ca -0.08 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 1xtf h GLN 706 Cb 0.76 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1xtf h GLN 706 CO 0.08 0.35 0.19 1.49 -0.67 0.00 0.00 178.83 180.26 1xtf h GLU 707 N 0.54 0.90 -0.59 1.46 4.81 -0.37 -2.18 114.58 119.15 1xtf h GLU 707 Ca 0.61 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.57 1xtf h GLU 707 Cb 1.27 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1xtf h GLU 707 CO -0.37 0.81 0.06 -0.97 -0.73 0.00 0.00 179.01 177.81 1xtf h ASN 708 N 0.82 0.97 -0.51 1.04 -0.00 0.36 -2.77 115.58 115.49 1xtf h ASN 708 Ca 0.19 -0.28 0.01 0.00 -0.00 0.00 0.00 56.30 56.22 1xtf h ASN 708 Cb 0.28 -0.26 -0.03 0.00 -0.00 0.00 0.00 38.32 38.31 1xtf h ASN 708 CO -0.01 1.00 0.34 -0.33 -0.00 0.00 0.00 177.43 178.44 1xtf h GLU 709 N 0.90 0.67 -0.69 6.67 5.08 0.01 -2.60 114.58 124.63 1xtf h GLU 709 Ca 0.18 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1xtf h GLU 709 Cb 0.47 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1xtf h GLU 709 CO 0.02 0.45 0.40 0.74 -1.00 0.00 0.00 179.01 179.61 1xtf h PHE 710 N 0.69 0.92 -0.66 4.33 0.04 -1.26 0.84 116.94 121.83 1xtf h PHE 710 Ca 0.19 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.98 1xtf h PHE 710 Cb -0.08 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 37.73 1xtf h PHE 710 CO -0.04 0.63 0.44 -0.09 -0.60 0.00 0.00 178.31 178.65 1xtf h ARG 711 N 0.94 0.76 -0.07 1.51 2.43 -1.27 0.22 114.38 118.89 1xtf h ARG 711 Ca 0.24 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.25 1xtf h ARG 711 Cb -0.00 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1xtf h ARG 711 CO -0.04 0.50 -0.41 1.25 -1.51 0.00 0.00 179.97 179.76 1xtf h LEU 712 N 0.78 0.49 -0.40 3.80 7.12 -0.98 -1.09 115.31 125.03 1xtf h LEU 712 Ca 0.27 -0.66 0.02 0.00 0.13 0.00 0.00 57.88 57.64 1xtf h LEU 712 Cb 0.09 -0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 40.05 1xtf h LEU 712 CO -0.08 1.07 0.23 0.22 -0.13 0.00 0.00 178.44 179.75 1xtf h TYR 713 N -0.06 0.42 -0.09 1.25 3.20 -0.40 -1.82 116.97 119.47 1xtf h TYR 713 Ca -0.03 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.70 1xtf h TYR 713 Cb 1.06 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 1xtf h TYR 713 CO 0.13 0.24 -0.61 1.88 -1.64 0.00 0.00 178.16 178.16 1xtf h TYR 714 N 0.46 0.41 -0.94 -3.82 0.05 -0.56 -2.02 116.97 110.55 1xtf h TYR 714 Ca 0.16 -0.16 0.10 0.00 0.05 0.00 0.00 58.73 58.88 1xtf h TYR 714 Cb 0.03 -0.07 -0.07 0.00 1.01 0.00 0.00 36.73 37.63 1xtf h TYR 714 CO -0.08 0.84 0.60 -0.92 -1.05 0.00 0.00 178.16 177.55 1xtf h TYR 715 N 0.24 1.04 -0.35 4.88 3.20 -0.90 -0.58 116.97 124.49 1xtf h TYR 715 Ca -0.01 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.76 1xtf h TYR 715 Cb 1.12 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 1xtf h TYR 715 CO 0.03 0.48 -0.30 -0.91 -1.64 0.00 0.00 178.16 175.82 1xtf h ASN 716 N 0.96 0.87 -0.84 -2.11 -0.26 -0.90 -2.18 115.58 111.12 1xtf h ASN 716 Ca 0.43 -0.45 0.06 0.00 -0.56 0.00 0.00 56.30 55.78 1xtf h ASN 716 Cb 0.38 -0.24 -0.05 0.00 -1.06 0.00 0.00 38.32 37.34 1xtf h ASN 716 CO -0.19 1.14 0.55 0.11 -1.06 0.00 0.00 177.43 177.98 1xtf h LYS 717 N 0.62 0.94 -0.07 0.81 1.79 -0.53 0.26 116.57 120.38 1xtf h LYS 717 Ca 0.06 -0.06 -0.09 0.00 -2.18 0.00 0.00 60.65 58.39 1xtf h LYS 717 Cb 0.87 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.30 1xtf h LYS 717 CO 0.08 0.62 -0.36 0.74 -1.08 0.00 0.00 179.45 179.45 1xtf h PHE 718 N 0.97 0.16 -0.25 -1.35 -1.00 -0.88 -1.89 116.94 112.70 1xtf h PHE 718 Ca 0.36 -0.04 -0.16 0.00 2.81 0.00 0.00 57.97 60.94 1xtf h PHE 718 Cb 0.17 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 1xtf h PHE 718 CO -0.00 0.49 -0.48 0.87 -1.61 0.00 0.00 178.31 177.58 1xtf h LYS 719 N 0.12 0.68 -0.63 1.51 1.57 -0.39 -1.21 116.57 118.22 1xtf h LYS 719 Ca 0.01 -0.39 -0.08 0.00 -1.87 0.00 0.00 60.65 58.32 1xtf h LYS 719 Cb 0.70 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1xtf h LYS 719 CO 0.05 1.01 0.06 -0.44 -0.57 0.00 0.00 179.45 179.56 1xtf h ASP 720 N 0.54 1.02 -0.51 0.86 3.32 -0.65 -1.52 116.42 119.48 1xtf h ASP 720 Ca 0.03 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.78 1xtf h ASP 720 Cb 1.03 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 1xtf h ASP 720 CO 0.10 1.04 0.15 0.40 -1.72 0.00 0.00 179.24 179.21 1xtf h ILE 721 N 0.98 1.23 -0.93 0.35 2.04 -1.12 -0.78 117.51 119.27 1xtf h ILE 721 Ca 0.19 -0.78 0.07 0.00 1.00 0.00 0.00 64.86 65.34 1xtf h ILE 721 Cb 0.48 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 1xtf h ILE 721 CO 0.02 0.29 0.59 0.00 0.00 0.00 0.00 178.15 179.04 1xtf h ALA 722 N 1.02 1.31 -0.48 1.87 0.00 -0.72 -0.64 119.26 121.61 1xtf h ALA 722 Ca 0.16 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1xtf h ALA 722 Cb 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xtf h ALA 722 CO -0.00 0.32 -0.22 0.66 0.00 0.00 0.00 179.25 180.01 1xtf h SER 723 N 1.04 1.03 -0.44 0.00 4.64 -0.79 -0.77 113.55 118.26 1xtf h SER 723 Ca 0.42 -0.39 0.02 0.00 -0.47 0.00 0.00 61.79 61.37 1xtf h SER 723 Cb 0.23 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 1xtf h SER 723 CO -0.19 1.19 0.25 0.74 -0.87 0.00 0.00 176.83 177.95 1xtf h THR 724 N 0.86 1.03 -0.72 2.95 2.02 -0.46 0.13 112.91 118.72 1xtf h THR 724 Ca 0.11 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1xtf h THR 724 Cb 0.80 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1xtf h THR 724 CO 0.07 0.09 0.32 -0.07 0.37 0.00 0.00 175.52 176.30 1xtf h LEU 725 N 0.50 0.96 -1.17 2.58 3.38 -0.96 -1.97 115.31 118.63 1xtf h LEU 725 Ca 0.18 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1xtf h LEU 725 Cb 0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1xtf h LEU 725 CO -0.09 0.84 0.10 0.78 0.09 0.00 0.00 178.44 180.15 1xtf h ASN 726 N 1.01 0.62 -0.11 -0.43 -0.26 -0.22 -2.54 115.58 113.66 1xtf h ASN 726 Ca 0.24 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 1xtf h ASN 726 Cb 0.15 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 1xtf h ASN 726 CO -0.03 0.63 0.00 0.29 -1.06 0.00 0.00 177.43 177.27 1xtf n LYS 727 N -4.30 1.74 -2.15 0.81 5.02 0.36 -4.93 118.16 114.71 1xtf n LYS 727 Ca 0.03 -1.09 -0.42 0.00 -2.02 0.00 0.00 58.31 54.81 1xtf n LYS 727 Cb 0.21 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 1xtf n LYS 727 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xtf s ALA 728 N -1.87 3.60 -0.03 7.82 0.00 -0.77 -4.68 121.76 125.83 1xtf s ALA 728 Ca 0.35 1.04 0.07 0.00 0.00 0.00 0.00 51.96 53.42 1xtf s ALA 728 Cb 0.19 -3.58 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 1xtf s ALA 728 CO 0.29 -0.80 0.11 1.63 0.00 0.00 0.00 175.76 177.00 1xtf n LYS 729 N 4.72 1.24 -4.23 0.00 4.76 0.13 -5.01 118.16 119.76 1xtf n LYS 729 Ca 0.13 -0.04 -0.16 0.00 -2.87 0.00 0.00 58.31 55.36 1xtf n LYS 729 Cb 0.42 -1.17 -0.08 0.00 -1.84 0.00 0.00 35.03 32.36 1xtf n LYS 729 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1xtf s SER 730 N -3.21 1.01 -0.12 4.39 1.04 -0.78 -5.04 113.70 110.99 1xtf s SER 730 Ca -0.03 -1.58 -0.14 0.00 0.48 0.00 0.00 55.95 54.68 1xtf s SER 730 Cb 0.04 0.50 0.04 0.00 0.10 0.00 0.00 66.02 66.69 1xtf s SER 730 CO 0.29 -1.00 0.38 -0.51 0.98 0.00 0.00 173.24 173.39 1xtf s ILE 731 N -3.69 0.01 -0.08 -1.02 2.07 -1.26 -1.81 121.20 115.42 1xtf s ILE 731 Ca 0.39 -0.09 -0.09 0.00 -1.41 0.00 0.00 60.65 59.45 1xtf s ILE 731 Cb 0.04 -0.57 -0.04 0.00 0.13 0.00 0.00 42.46 42.01 1xtf s ILE 731 CO 0.21 -0.05 0.21 -0.69 -1.91 0.00 0.00 174.94 172.71 1xtf s VAL 732 N -0.12 5.39 0.00 4.00 1.01 -0.54 -4.96 120.40 125.18 1xtf s VAL 732 Ca -0.03 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1xtf s VAL 732 Cb -0.03 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1xtf s VAL 732 CO 0.02 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1xtf n GLY 733 N 1.86 3.36 0.09 4.51 0.00 -1.26 -4.72 105.19 109.02 1xtf n GLY 733 Ca -0.18 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 43.89 1xtf n GLY 733 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xtf n THR 734 N -1.50 1.04 -0.06 2.61 -2.24 -1.26 -4.78 114.28 108.10 1xtf n THR 734 Ca 0.00 -0.45 -0.18 0.00 -2.27 0.00 0.00 64.05 61.14 1xtf n THR 734 Cb 0.00 -1.03 -0.13 0.00 -2.10 0.00 0.00 70.33 67.07 1xtf n THR 734 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1xtf h THR 735 N 0.00 1.36 -3.48 4.28 2.02 -2.03 -3.47 112.91 111.60 1xtf h THR 735 Ca -0.41 -2.32 -0.53 0.00 0.77 0.00 0.00 66.41 63.92 1xtf h THR 735 Cb 1.70 2.90 -0.02 0.00 -1.74 0.00 0.00 68.15 70.98 1xtf h THR 735 CO -0.04 0.54 0.38 0.00 0.37 0.00 0.00 175.52 176.77 1xtf s ALA 736 N -2.33 3.22 0.30 6.16 0.00 -1.26 -5.06 121.76 122.80 1xtf s ALA 736 Ca -0.22 0.59 -0.05 0.00 0.00 0.00 0.00 51.96 52.29 1xtf s ALA 736 Cb 0.01 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 1xtf s ALA 736 CO 0.69 -0.15 0.57 -1.54 0.00 0.00 0.00 175.76 175.33 1xtf s SER 737 N 0.50 6.43 0.12 0.00 1.04 -1.26 -4.86 113.70 115.67 1xtf s SER 737 Ca 0.50 0.72 -0.27 0.00 0.48 0.00 0.00 55.95 57.38 1xtf s SER 737 Cb -0.23 -2.15 -0.06 0.00 0.10 0.00 0.00 66.02 63.69 1xtf s SER 737 CO 0.29 -0.22 1.62 0.25 0.98 0.00 0.00 173.24 176.16 1xtf h LEU 738 N 1.55 -0.88 -1.06 2.42 5.85 -1.95 -0.88 115.31 120.36 1xtf h LEU 738 Ca -0.48 0.11 0.13 0.00 0.84 0.00 0.00 57.88 58.49 1xtf h LEU 738 Cb 1.19 0.35 -0.09 0.00 0.37 0.00 0.00 40.66 42.49 1xtf h LEU 738 CO 0.66 -0.37 0.62 -0.61 -0.34 0.00 0.00 178.44 178.40 1xtf h GLN 739 N -0.46 0.89 0.14 1.25 4.15 -1.98 0.23 115.11 119.33 1xtf h GLN 739 Ca 0.06 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1xtf h GLN 739 Cb 0.53 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 1xtf h GLN 739 CO -0.24 0.59 -0.10 -0.92 -1.93 0.00 0.00 178.83 176.23 1xtf h TYR 740 N 0.91 -0.26 -0.62 3.99 3.20 -1.68 -0.48 116.97 122.04 1xtf h TYR 740 Ca 0.50 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.31 1xtf h TYR 740 Cb 0.59 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 1xtf h TYR 740 CO -0.00 -0.16 0.15 0.52 -1.64 0.00 0.00 178.16 177.03 1xtf h MET 741 N -0.24 1.00 -0.84 1.82 2.86 0.19 -1.12 114.93 118.59 1xtf h MET 741 Ca -0.01 -0.24 0.04 0.00 -2.06 0.00 0.00 59.70 57.43 1xtf h MET 741 Cb 0.21 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.69 1xtf h MET 741 CO -0.00 0.91 0.55 0.87 1.06 0.00 0.00 176.91 180.30 1xtf h LYS 742 N 0.91 0.99 -0.16 1.72 1.57 -0.42 -0.10 116.57 121.08 1xtf h LYS 742 Ca 0.19 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.79 1xtf h LYS 742 Cb 0.36 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1xtf h LYS 742 CO 0.00 0.66 -0.44 -0.97 -0.57 0.00 0.00 179.45 178.13 1xtf h ASN 743 N 1.02 0.41 -0.45 0.86 -0.73 -0.35 0.93 115.58 117.27 1xtf h ASN 743 Ca 0.34 -0.19 0.00 0.00 1.87 0.00 0.00 56.30 58.33 1xtf h ASN 743 Cb 0.07 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.52 1xtf h ASN 743 CO -0.11 0.80 0.30 0.58 -0.37 0.00 0.00 177.43 178.63 1xtf h VAL 744 N 0.32 1.12 0.00 2.57 2.07 0.16 -1.62 116.25 120.87 1xtf h VAL 744 Ca 0.02 -0.22 -0.12 0.00 0.82 0.00 0.00 66.70 67.20 1xtf h VAL 744 Cb 0.91 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1xtf h VAL 744 CO 0.08 0.11 -0.59 -0.26 0.02 0.00 0.00 177.57 176.93 1xtf h PHE 745 N 0.61 0.00 -0.79 1.57 0.04 -0.99 -1.64 116.94 115.74 1xtf h PHE 745 Ca 0.16 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.88 1xtf h PHE 745 Cb -0.07 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 1xtf h PHE 745 CO -0.04 0.59 0.30 -0.22 -0.60 0.00 0.00 178.31 178.33 1xtf h LYS 746 N 0.00 1.19 -0.15 1.51 3.64 -0.39 -0.97 116.57 121.40 1xtf h LYS 746 Ca -0.01 -0.23 -0.18 0.00 -1.27 0.00 0.00 60.65 58.97 1xtf h LYS 746 Cb 1.18 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1xtf h LYS 746 CO 0.08 0.97 -0.63 0.93 -2.27 0.00 0.00 179.45 178.52 1xtf h GLU 747 N 1.16 0.56 0.74 1.90 5.08 -1.04 -1.64 114.58 121.33 1xtf h GLU 747 Ca 0.26 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1xtf h GLU 747 Cb 0.24 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1xtf h GLU 747 CO -0.02 1.01 -0.36 -0.22 -1.00 0.00 0.00 179.01 178.43 1xtf h LYS 748 N 0.41 -0.96 -0.26 2.33 3.64 -0.83 -3.11 116.57 117.79 1xtf h LYS 748 Ca -0.01 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1xtf h LYS 748 Cb 1.20 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1xtf h LYS 748 CO 0.12 -0.62 0.00 0.66 -2.27 0.00 0.00 179.45 177.34 1xtf n TYR 749 N -5.47 0.31 -4.00 1.91 4.01 -0.41 -4.93 117.16 108.57 1xtf n TYR 749 Ca -0.14 -0.15 -0.26 0.00 -0.16 0.00 0.00 57.90 57.19 1xtf n TYR 749 Cb 0.41 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.39 1xtf n TYR 749 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1xtf n LEU 750 N 0.12 -2.03 -4.86 7.72 4.77 -0.70 -4.82 117.00 117.20 1xtf n LEU 750 Ca 0.07 -1.05 -0.31 0.00 -0.03 0.00 0.00 56.01 54.69 1xtf n LEU 750 Cb 0.20 -2.13 0.00 0.00 -2.33 0.00 0.00 43.42 39.17 1xtf n LEU 750 CO 0.05 0.44 0.71 -0.76 -1.33 0.00 0.00 177.39 176.51 1xtf s LEU 751 N -7.02 3.30 -0.00 2.23 1.43 -0.72 -4.08 118.68 113.81 1xtf s LEU 751 Ca 0.02 1.47 -0.10 0.00 -1.03 0.00 0.00 54.13 54.48 1xtf s LEU 751 Cb -0.01 -4.48 -0.05 0.00 0.03 0.00 0.00 46.19 41.68 1xtf s LEU 751 CO 0.91 -0.86 0.32 -0.44 0.23 0.00 0.00 176.35 176.50 1xtf s SER 752 N -3.92 6.61 -0.47 2.29 0.01 0.51 -4.86 113.70 113.87 1xtf s SER 752 Ca 0.56 0.73 -0.02 0.00 1.31 0.00 0.00 55.95 58.53 1xtf s SER 752 Cb -0.11 -2.16 0.13 0.00 0.21 0.00 0.00 66.02 64.08 1xtf s SER 752 CO 0.50 0.29 0.26 -0.70 0.41 0.00 0.00 173.24 174.00 1xtf s GLU 753 N -1.43 2.13 1.21 12.44 2.12 -1.26 0.64 118.70 134.54 1xtf s GLU 753 Ca 0.25 -2.07 -0.18 0.00 0.36 0.00 0.00 54.97 53.33 1xtf s GLU 753 Cb -0.14 -3.59 0.25 0.00 0.26 0.00 0.00 34.13 30.91 1xtf s GLU 753 CO 0.13 -1.10 0.55 -0.40 -0.54 0.00 0.00 175.26 173.91 1xtf n ASP 754 N 4.18 -3.27 0.31 -1.70 5.75 -0.20 -4.69 116.55 116.94 1xtf n ASP 754 Ca 0.01 -0.52 0.19 0.00 -0.01 0.00 0.00 54.79 54.47 1xtf n ASP 754 Cb 0.40 -0.91 1.02 0.00 -1.03 0.00 0.00 41.12 40.60 1xtf n ASP 754 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1xtf h THR 755 N -2.98 0.10 -0.01 2.12 2.02 -1.99 -1.54 112.91 110.63 1xtf h THR 755 Ca -0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1xtf h THR 755 Cb 1.08 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1xtf h THR 755 CO 0.24 0.00 -0.52 -1.54 0.37 0.00 0.00 175.52 174.07 1xtf n SER 756 N -3.17 1.83 0.00 4.18 3.41 -1.26 -4.97 113.62 113.63 1xtf n SER 756 Ca -0.02 -1.41 0.00 0.00 -0.26 0.00 0.00 58.87 57.18 1xtf n SER 756 Cb 0.21 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 1xtf n SER 756 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xtf n GLY 757 N 1.38 0.36 3.72 5.00 0.00 -0.58 -5.06 105.19 110.01 1xtf n GLY 757 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1xtf n GLY 757 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xtf s LYS 758 N -0.98 4.58 0.24 1.61 2.20 -1.26 -4.76 119.74 121.37 1xtf s LYS 758 Ca 0.00 1.53 -0.23 0.00 -0.36 0.00 0.00 55.97 56.91 1xtf s LYS 758 Cb 0.00 -3.39 -0.09 0.00 -1.51 0.00 0.00 37.83 32.84 1xtf s LYS 758 CO 0.00 0.01 0.81 -0.06 -0.36 0.00 0.00 175.35 175.75 1xtf s PHE 759 N 0.54 3.72 0.03 4.03 0.08 -1.26 -1.03 117.98 124.09 1xtf s PHE 759 Ca 0.51 1.57 -0.05 0.00 0.12 0.00 0.00 56.93 59.09 1xtf s PHE 759 Cb -0.24 -2.75 -0.01 0.00 -0.57 0.00 0.00 43.02 39.44 1xtf s PHE 759 CO 0.30 0.34 0.07 0.45 -0.10 0.00 0.00 175.22 176.28 1xtf s SER 760 N -1.53 0.19 -0.44 1.36 0.15 0.21 -4.77 113.70 108.87 1xtf s SER 760 Ca 0.44 -0.52 -0.29 0.00 0.70 0.00 0.00 55.95 56.28 1xtf s SER 760 Cb -0.19 0.20 0.03 0.00 -1.71 0.00 0.00 66.02 64.35 1xtf s SER 760 CO 0.23 -0.46 1.12 -0.69 1.20 0.00 0.00 173.24 174.63 1xtf s VAL 761 N -2.36 4.29 -0.55 4.45 1.01 -1.26 0.19 120.40 126.17 1xtf s VAL 761 Ca -0.07 1.34 -0.27 0.00 0.00 0.00 0.00 61.98 62.98 1xtf s VAL 761 Cb -0.03 -4.55 -0.01 0.00 0.00 0.00 0.00 36.38 31.78 1xtf s VAL 761 CO -0.04 -0.88 1.76 -0.62 0.00 0.00 0.00 175.10 175.33 1xtf s ASP 762 N 2.25 5.56 0.36 3.32 -1.08 -1.26 -4.87 116.67 120.96 1xtf s ASP 762 Ca 0.47 0.50 0.08 0.00 -0.52 0.00 0.00 52.55 53.08 1xtf s ASP 762 Cb -0.08 -2.53 0.79 0.00 -1.46 0.00 0.00 42.92 39.64 1xtf s ASP 762 CO 0.28 -2.12 1.89 0.11 0.52 0.00 0.00 175.17 175.85 1xtf h LYS 763 N 13.78 0.69 0.32 4.34 1.57 -1.93 0.71 116.57 136.05 1xtf h LYS 763 Ca -0.28 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1xtf h LYS 763 Cb 1.15 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1xtf h LYS 763 CO 1.18 0.46 -0.15 1.25 -0.57 0.00 0.00 179.45 181.61 1xtf h LEU 764 N 0.71 -0.36 -0.81 2.94 7.12 -1.99 -1.64 115.31 121.29 1xtf h LEU 764 Ca 0.41 -0.12 -0.09 0.00 0.13 0.00 0.00 57.88 58.21 1xtf h LEU 764 Cb 0.60 0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.81 1xtf h LEU 764 CO -0.18 -0.08 -0.08 0.11 -0.13 0.00 0.00 178.44 178.08 1xtf h LYS 765 N -0.65 0.81 0.84 1.25 1.57 -1.74 -2.97 116.57 115.67 1xtf h LYS 765 Ca -0.04 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.44 1xtf h LYS 765 Cb 0.46 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.71 1xtf h LYS 765 CO 0.07 0.87 -0.40 0.35 -0.57 0.00 0.00 179.45 179.77 1xtf h PHE 766 N 0.74 -1.05 -0.81 -1.35 3.57 0.45 -1.88 116.94 116.61 1xtf h PHE 766 Ca 0.13 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.80 1xtf h PHE 766 Cb 0.56 0.35 -0.14 0.00 2.79 0.00 0.00 35.95 39.51 1xtf h PHE 766 CO 0.03 -0.65 0.05 -0.44 -2.23 0.00 0.00 178.31 175.08 1xtf h ASP 767 N -1.15 -0.29 -0.35 0.41 3.32 -1.28 0.13 116.42 117.20 1xtf h ASP 767 Ca -0.12 0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1xtf h ASP 767 Cb 0.87 0.35 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 1xtf h ASP 767 CO 0.19 -0.19 0.16 0.50 -1.72 0.00 0.00 179.24 178.18 1xtf h LYS 768 N 0.12 0.52 -0.03 3.56 3.64 -1.46 -0.33 116.57 122.58 1xtf h LYS 768 Ca 0.46 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1xtf h LYS 768 Cb 0.86 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1xtf h LYS 768 CO -0.70 0.48 0.02 1.25 -2.27 0.00 0.00 179.45 178.23 1xtf h LEU 769 N 0.43 0.04 -0.03 5.20 5.85 -0.19 0.07 115.31 126.68 1xtf h LEU 769 Ca 0.12 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1xtf h LEU 769 Cb 0.14 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1xtf h LEU 769 CO -0.01 0.13 -0.07 0.22 -0.34 0.00 0.00 178.44 178.36 1xtf h TYR 770 N -0.05 -0.17 -0.26 1.25 3.20 -0.79 -0.35 116.97 119.80 1xtf h TYR 770 Ca 0.01 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1xtf h TYR 770 Cb 0.10 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1xtf h TYR 770 CO -0.04 -0.11 0.05 -0.22 -1.64 0.00 0.00 178.16 176.19 1xtf h LYS 771 N -0.11 0.14 -0.27 1.82 3.64 -0.89 0.16 116.57 121.05 1xtf h LYS 771 Ca 0.04 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1xtf h LYS 771 Cb 0.16 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1xtf h LYS 771 CO -0.10 0.09 -0.01 1.98 -2.27 0.00 0.00 179.45 179.14 1xtf h MET 772 N 0.14 0.06 -0.23 1.90 4.05 -0.70 0.39 114.93 120.54 1xtf h MET 772 Ca 0.12 -0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.43 1xtf h MET 772 Cb 0.13 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 1xtf h MET 772 CO -0.16 0.04 -0.31 -0.07 0.23 0.00 0.00 176.91 176.64 1xtf h LEU 773 N 0.07 0.49 0.00 3.39 3.38 -0.46 -1.34 115.31 120.83 1xtf h LEU 773 Ca 0.13 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xtf h LEU 773 Cb 0.18 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xtf h LEU 773 CO -0.23 0.77 -1.88 0.35 0.09 0.00 0.00 178.44 177.54 1xtf n THR 774 N -4.09 0.00 0.00 0.22 -2.24 0.49 -4.55 114.28 104.12 1xtf n THR 774 Ca -0.01 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1xtf n THR 774 Cb 0.44 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1xtf n THR 774 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1xtf n GLU 775 N -2.17 2.80 -0.03 -0.78 0.28 0.13 -4.80 120.64 116.07 1xtf n GLU 775 Ca -0.03 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.77 1xtf n GLU 775 Cb 0.53 -0.32 -0.13 0.00 1.43 0.00 0.00 31.44 32.95 1xtf n GLU 775 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1xtf n ILE 776 N -0.36 1.71 -2.69 3.84 5.41 -1.02 -4.64 119.36 121.61 1xtf n ILE 776 Ca 0.00 -0.64 -0.42 0.00 1.00 0.00 0.00 62.75 62.69 1xtf n ILE 776 Cb 0.00 -1.64 -0.03 0.00 -0.71 0.00 0.00 39.64 37.26 1xtf n ILE 776 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1xtf s TYR 777 N -2.55 2.74 0.06 1.39 2.02 -0.53 -4.75 117.35 115.74 1xtf s TYR 777 Ca -0.25 -1.05 0.01 0.00 -0.37 0.00 0.00 57.07 55.41 1xtf s TYR 777 Cb 0.07 -4.55 -0.03 0.00 -0.40 0.00 0.00 41.96 37.04 1xtf s TYR 777 CO 0.73 -1.78 -0.05 0.95 -1.57 0.00 0.00 175.55 173.82 1xtf s THR 778 N 4.15 0.46 0.20 -0.71 -4.23 -1.26 -4.81 115.64 109.44 1xtf s THR 778 Ca 0.41 -1.60 -0.11 0.00 -1.18 0.00 0.00 61.69 59.22 1xtf s THR 778 Cb -0.02 -1.24 0.12 0.00 1.34 0.00 0.00 72.50 72.71 1xtf s THR 778 CO -0.10 -0.76 1.76 -0.08 -0.54 0.00 0.00 174.62 174.90 1xtf h GLU 779 N 3.55 0.42 -0.42 3.99 4.81 -1.16 -1.11 114.58 124.65 1xtf h GLU 779 Ca -0.35 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 58.93 1xtf h GLU 779 Cb 1.17 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.39 1xtf h GLU 779 CO 0.57 0.28 0.05 0.22 -0.73 0.00 0.00 179.01 179.40 1xtf h ASP 780 N 0.43 -0.06 -0.40 1.04 3.58 -1.37 -0.13 116.42 119.51 1xtf h ASP 780 Ca 0.28 0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.73 1xtf h ASP 780 Cb 0.30 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 1xtf h ASP 780 CO -0.26 0.00 -0.06 0.78 -2.88 0.00 0.00 179.24 176.82 1xtf h ASN 781 N 0.17 0.81 -0.73 2.28 2.35 -1.67 -2.79 115.58 116.01 1xtf h ASN 781 Ca 0.21 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 1xtf h ASN 781 Cb 0.27 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1xtf h ASN 781 CO -0.30 0.91 0.25 -0.26 -1.65 0.00 0.00 177.43 176.38 1xtf h PHE 782 N 0.76 1.16 -0.71 1.19 0.04 -0.40 -1.80 116.94 117.18 1xtf h PHE 782 Ca 0.14 -0.10 0.06 0.00 2.80 0.00 0.00 57.97 60.86 1xtf h PHE 782 Cb 0.55 -0.34 -0.04 0.00 2.20 0.00 0.00 35.95 38.31 1xtf h PHE 782 CO 0.03 0.90 0.46 0.28 -0.60 0.00 0.00 178.31 179.39 1xtf h VAL 783 N 1.09 1.02 0.15 -0.55 2.07 -0.83 0.33 116.25 119.53 1xtf h VAL 783 Ca 0.24 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1xtf h VAL 783 Cb 0.27 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1xtf h VAL 783 CO -0.01 0.13 -0.07 0.11 0.02 0.00 0.00 177.57 177.75 1xtf h LYS 784 N 0.73 -0.20 -0.93 1.57 1.57 -1.09 -1.91 116.57 116.32 1xtf h LYS 784 Ca 0.30 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.16 1xtf h LYS 784 Cb 0.26 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 1xtf h LYS 784 CO -0.10 0.16 0.59 0.74 -0.57 0.00 0.00 179.45 180.27 1xtf h PHE 785 N -0.59 1.09 0.00 -1.35 -1.00 -0.97 -1.77 116.94 112.35 1xtf h PHE 785 Ca -0.02 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1xtf h PHE 785 Cb 0.45 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 39.66 1xtf h PHE 785 CO 0.04 0.55 0.00 0.74 -1.61 0.00 0.00 178.31 178.04 1xtf h PHE 786 N 1.06 0.00 -5.90 -0.55 0.04 -0.93 -3.47 116.94 107.19 1xtf h PHE 786 Ca 0.40 0.00 -0.39 0.00 2.80 0.00 0.00 57.97 60.79 1xtf h PHE 786 Cb 0.18 0.00 0.10 0.00 2.20 0.00 0.00 35.95 38.43 1xtf h PHE 786 CO -0.02 0.00 -0.78 1.63 -0.60 0.00 0.00 178.31 178.54 1xtf n LYS 787 N -2.76 -6.03 -4.45 1.51 4.01 -0.67 -4.98 118.16 104.79 1xtf n LYS 787 Ca 0.02 0.74 -0.25 0.00 -0.51 0.00 0.00 58.31 58.31 1xtf n LYS 787 Cb 0.35 -5.57 -0.10 0.00 -0.51 0.00 0.00 35.03 29.20 1xtf n LYS 787 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1xtf s VAL 788 N -3.47 2.41 -0.03 -0.18 -7.23 -1.19 -5.03 120.40 105.69 1xtf s VAL 788 Ca 0.13 -2.11 -0.19 0.00 -1.81 0.00 0.00 61.98 58.00 1xtf s VAL 788 Cb -0.06 -2.71 -0.05 0.00 0.56 0.00 0.00 36.38 34.12 1xtf s VAL 788 CO 0.77 -0.20 0.55 -0.22 -0.31 0.00 0.00 175.10 175.69 1xtf s LEU 789 N -3.65 4.39 0.11 1.32 2.96 -1.26 -4.89 118.68 117.65 1xtf s LEU 789 Ca 0.33 1.06 -0.09 0.00 -0.22 0.00 0.00 54.13 55.21 1xtf s LEU 789 Cb 0.01 -2.83 0.00 0.00 0.50 0.00 0.00 46.19 43.87 1xtf s LEU 789 CO 0.18 0.10 0.23 0.21 -1.32 0.00 0.00 176.35 175.75 1xtf s ASN 790 N -0.11 0.08 0.31 3.68 2.47 -1.26 -4.64 114.94 115.47 1xtf s ASN 790 Ca 0.29 -0.67 -0.27 0.00 0.42 0.00 0.00 52.86 52.63 1xtf s ASN 790 Cb -0.17 0.37 -0.14 0.00 -1.45 0.00 0.00 41.25 39.86 1xtf s ASN 790 CO 0.15 -0.77 0.98 -2.11 -3.72 0.00 0.00 177.10 171.63 1xtf n ARG 791 N -0.11 1.29 0.05 0.43 1.85 -1.26 -4.89 116.66 114.03 1xtf n ARG 791 Ca -0.14 0.45 -0.21 0.00 -1.00 0.00 0.00 57.85 56.96 1xtf n ARG 791 Cb 0.63 -1.83 -0.12 0.00 -1.05 0.00 0.00 32.46 30.09 1xtf n ARG 791 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1xtf h LYS 792 N 1.88 0.63 -6.57 2.89 1.79 -2.00 -3.44 116.57 111.74 1xtf h LYS 792 Ca -0.40 -0.74 -0.70 0.00 -2.18 0.00 0.00 60.65 56.64 1xtf h LYS 792 Cb 1.34 0.23 -0.28 0.00 -1.58 0.00 0.00 32.23 31.94 1xtf h LYS 792 CO 0.60 1.32 -0.87 0.99 -1.08 0.00 0.00 179.45 180.41 1xtf s THR 793 N -3.15 2.26 0.66 -0.16 2.01 -1.26 -4.82 115.64 111.18 1xtf s THR 793 Ca -0.10 -1.06 0.28 0.00 0.31 0.00 0.00 61.69 61.11 1xtf s THR 793 Cb 0.06 -1.81 0.29 0.00 0.01 0.00 0.00 72.50 71.04 1xtf s THR 793 CO 0.91 0.56 1.86 0.15 -0.69 0.00 0.00 174.62 177.41 1xtf h PHE 794 N 5.38 0.00 -0.39 4.92 3.57 -1.94 -0.95 116.94 127.54 1xtf h PHE 794 Ca -0.44 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 60.83 1xtf h PHE 794 Cb 1.13 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.75 1xtf h PHE 794 CO 0.42 0.00 0.29 1.28 -2.23 0.00 0.00 178.31 178.08 1xtf n LEU 795 N -2.94 5.28 -4.96 0.59 4.77 -1.26 -4.91 117.00 113.56 1xtf n LEU 795 Ca -0.01 -2.69 -0.22 0.00 -0.03 0.00 0.00 56.01 53.06 1xtf n LEU 795 Cb 0.45 -0.83 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 1xtf n LEU 795 CO 0.14 0.93 -0.05 0.20 -1.33 0.00 0.00 177.39 177.28 1xtf s ASN 796 N 0.30 6.32 -0.13 -1.43 0.01 -0.36 -5.11 114.94 114.53 1xtf s ASN 796 Ca 0.24 0.09 -0.03 0.00 -0.71 0.00 0.00 52.86 52.44 1xtf s ASN 796 Cb 0.19 -1.86 -0.03 0.00 0.41 0.00 0.00 41.25 39.96 1xtf s ASN 796 CO 0.02 -0.05 -0.04 -0.36 -1.51 0.00 0.00 177.10 175.17 1xtf s PHE 797 N -1.94 3.02 0.36 2.20 0.08 -1.26 -5.00 117.98 115.44 1xtf s PHE 797 Ca 0.34 -0.20 -0.24 0.00 0.12 0.00 0.00 56.93 56.95 1xtf s PHE 797 Cb -0.09 -1.90 -0.10 0.00 -0.57 0.00 0.00 43.02 40.35 1xtf s PHE 797 CO 0.29 0.07 0.96 -0.51 -0.10 0.00 0.00 175.22 175.93 1xtf s ASP 798 N 0.05 7.15 -0.17 1.36 1.01 -1.26 -4.60 116.67 120.20 1xtf s ASP 798 Ca 0.00 1.82 0.15 0.00 0.71 0.00 0.00 52.55 55.23 1xtf s ASP 798 Cb -0.13 -2.57 -0.22 0.00 1.01 0.00 0.00 42.92 41.01 1xtf s ASP 798 CO 0.03 -0.21 0.06 0.29 0.21 0.00 0.00 175.17 175.55 1xtf n LYS 799 N 0.13 1.11 -3.84 8.23 4.76 0.21 -4.84 118.16 123.92 1xtf n LYS 799 Ca 0.04 -0.01 -0.07 0.00 -2.87 0.00 0.00 58.31 55.40 1xtf n LYS 799 Cb 0.51 -1.45 -0.01 0.00 -1.84 0.00 0.00 35.03 32.24 1xtf n LYS 799 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xtf s ALA 800 N -2.43 -1.20 -0.10 7.82 0.00 -1.19 -0.47 121.76 124.20 1xtf s ALA 800 Ca -0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 1xtf s ALA 800 Cb 0.05 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 1xtf s ALA 800 CO 0.72 -1.03 -0.01 0.08 0.00 0.00 0.00 175.76 175.51 1xtf s VAL 801 N -3.56 4.16 -0.06 0.00 1.01 -0.63 -0.32 120.40 121.00 1xtf s VAL 801 Ca 0.12 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1xtf s VAL 801 Cb -0.05 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 1xtf s VAL 801 CO 0.07 0.57 -0.19 -0.36 0.00 0.00 0.00 175.10 175.19 1xtf s PHE 802 N -0.52 1.95 0.16 5.22 0.08 -0.30 -1.17 117.98 123.40 1xtf s PHE 802 Ca 0.09 -0.63 -0.28 0.00 0.12 0.00 0.00 56.93 56.23 1xtf s PHE 802 Cb -0.12 -1.31 -0.07 0.00 -0.57 0.00 0.00 43.02 40.94 1xtf s PHE 802 CO 0.02 -0.23 0.88 0.21 -0.10 0.00 0.00 175.22 176.00 1xtf s LYS 803 N 0.14 4.69 0.22 0.44 2.47 0.11 -1.79 119.74 126.02 1xtf s LYS 803 Ca -0.08 1.34 0.00 0.00 -1.56 0.00 0.00 55.97 55.67 1xtf s LYS 803 Cb -0.14 -3.31 -0.04 0.00 -1.46 0.00 0.00 37.83 32.88 1xtf s LYS 803 CO 0.04 0.43 0.13 0.96 0.16 0.00 0.00 175.35 177.06 1xtf s ILE 804 N -0.73 0.14 -0.29 5.43 -4.36 -0.68 -1.74 121.20 118.98 1xtf s ILE 804 Ca 0.41 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.78 1xtf s ILE 804 Cb -0.24 -2.53 0.13 0.00 1.25 0.00 0.00 42.46 41.07 1xtf s ILE 804 CO 0.29 0.00 0.26 0.21 0.24 0.00 0.00 174.94 175.93 1xtf s ASN 805 N -3.21 2.06 0.03 4.36 3.84 -1.26 -4.64 114.94 116.11 1xtf s ASN 805 Ca 0.39 -0.85 0.26 0.00 0.21 0.00 0.00 52.86 52.87 1xtf s ASN 805 Cb 0.07 0.32 0.70 0.00 -0.55 0.00 0.00 41.25 41.79 1xtf s ASN 805 CO 0.13 -0.40 1.56 -0.38 -2.79 0.00 0.00 177.10 175.23 1xtf n ILE 806 N 5.30 0.09 0.17 -5.21 5.41 -1.26 -4.39 119.36 119.47 1xtf n ILE 806 Ca -0.03 -0.06 -0.14 0.00 1.00 0.00 0.00 62.75 63.52 1xtf n ILE 806 Cb 0.46 -0.07 -0.08 0.00 -0.71 0.00 0.00 39.64 39.24 1xtf n ILE 806 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1xtf h VAL 807 N 0.00 0.75 -2.13 1.39 2.07 -1.90 -3.39 116.25 113.04 1xtf h VAL 807 Ca 0.00 -0.19 -0.61 0.00 0.82 0.00 0.00 66.70 66.72 1xtf h VAL 807 Cb 0.55 0.86 0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1xtf h VAL 807 CO 0.00 0.04 0.74 -2.65 0.02 0.00 0.00 177.57 175.72 1xtf n PRO 808 N -5.21 1.92 0.21 1.57 -0.02 -1.26 -4.84 135.00 127.37 1xtf n PRO 808 Ca -0.10 0.69 0.15 0.00 -2.02 0.00 0.00 63.50 62.23 1xtf n PRO 808 Cb 0.20 -2.44 0.68 0.00 -0.02 0.00 0.00 33.50 31.92 1xtf n PRO 808 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1xtf h LYS 809 N 5.77 0.00 0.00 -0.52 3.64 -1.83 -1.56 116.57 122.06 1xtf h LYS 809 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1xtf h LYS 809 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1xtf h LYS 809 CO 0.87 0.00 -0.03 1.33 -2.27 0.00 0.00 179.45 179.35 1xtf n VAL 810 N -2.61 0.45 -0.10 2.00 0.24 -1.26 -3.89 118.33 113.16 1xtf n VAL 810 Ca 0.00 -0.22 -0.17 0.00 -2.04 0.00 0.00 64.34 61.92 1xtf n VAL 810 Cb 0.18 -0.54 -0.13 0.00 -1.47 0.00 0.00 33.84 31.88 1xtf n VAL 810 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1xtf n ASN 811 N -2.08 1.62 -3.68 -1.34 3.02 -0.62 -5.03 115.26 107.16 1xtf n ASN 811 Ca 0.06 -0.04 -0.13 0.00 -0.03 0.00 0.00 54.58 54.44 1xtf n ASN 811 Cb 0.41 -0.23 -0.09 0.00 -0.61 0.00 0.00 39.78 39.26 1xtf n ASN 811 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1xtf s TYR 812 N -2.52 -0.66 0.22 3.10 6.14 -1.02 -4.59 117.35 118.02 1xtf s TYR 812 Ca -0.28 1.55 0.08 0.00 0.64 0.00 0.00 57.07 59.07 1xtf s TYR 812 Cb 0.08 0.25 -0.05 0.00 0.42 0.00 0.00 41.96 42.67 1xtf s TYR 812 CO 0.68 -0.32 -0.13 0.95 0.64 0.00 0.00 175.55 177.37 1xtf s THR 813 N 0.51 1.74 0.33 4.34 -4.23 0.16 -4.38 115.64 114.10 1xtf s THR 813 Ca -0.02 -2.20 0.02 0.00 -1.18 0.00 0.00 61.69 58.31 1xtf s THR 813 Cb -0.04 -2.15 0.28 0.00 1.34 0.00 0.00 72.50 71.92 1xtf s THR 813 CO -0.02 -0.52 1.96 0.40 -0.54 0.00 0.00 174.62 175.90 1xtf h ILE 814 N 2.48 1.11 0.00 2.99 2.04 -1.89 0.40 117.51 124.64 1xtf h ILE 814 Ca -0.39 -0.33 -0.21 0.00 1.00 0.00 0.00 64.86 64.94 1xtf h ILE 814 Cb 1.23 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1xtf h ILE 814 CO 0.63 0.17 -1.63 -1.22 0.00 0.00 0.00 178.15 176.11 1xtf n TYR 815 N -4.46 0.82 0.06 1.37 4.02 -1.26 -4.54 117.16 113.18 1xtf n TYR 815 Ca 0.10 0.28 0.01 0.00 -0.01 0.00 0.00 57.90 58.28 1xtf n TYR 815 Cb 0.13 -1.07 -0.00 0.00 -0.02 0.00 0.00 39.34 38.38 1xtf n TYR 815 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1xtf n ASP 816 N -2.87 0.28 0.00 7.72 8.00 -1.15 -5.07 116.55 123.45 1xtf n ASP 816 Ca -0.14 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.72 1xtf n ASP 816 Cb 0.91 0.79 0.00 0.00 -0.02 0.00 0.00 41.12 42.81 1xtf n ASP 816 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xtf n GLY 817 N 0.84 3.46 0.08 0.44 0.00 0.14 -2.07 105.19 108.08 1xtf n GLY 817 Ca 0.00 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 45.99 1xtf n GLY 817 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xtf n PHE 818 N 13.16 0.69 -1.71 1.61 3.72 -1.26 -0.67 117.46 133.00 1xtf n PHE 818 Ca 0.00 0.21 -0.40 0.00 -0.05 0.00 0.00 57.45 57.21 1xtf n PHE 818 Cb 0.00 -0.88 -0.01 0.00 -0.94 0.00 0.00 39.48 37.64 1xtf n PHE 818 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1xtf n ASN 819 N -2.63 7.63 -4.61 4.37 3.02 -0.88 -4.38 115.26 117.78 1xtf n ASN 819 Ca -0.05 -2.86 -0.51 0.00 -0.03 0.00 0.00 54.58 51.13 1xtf n ASN 819 Cb 0.66 -1.49 -0.06 0.00 -0.61 0.00 0.00 39.78 38.28 1xtf n ASN 819 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1xtf n LEU 820 N 3.19 1.95 -4.76 3.41 4.77 -1.26 -4.26 117.00 120.04 1xtf n LEU 820 Ca 0.66 1.11 -0.33 0.00 -0.03 0.00 0.00 56.01 57.43 1xtf n LEU 820 Cb 0.27 -1.24 0.07 0.00 -2.33 0.00 0.00 43.42 40.19 1xtf n LEU 820 CO 0.80 -0.88 0.73 0.00 -1.33 0.00 0.00 177.39 176.71 1xtf s ARG 821 N 0.62 2.50 -1.72 3.23 1.70 -1.26 -2.82 118.95 121.20 1xtf s ARG 821 Ca 0.83 1.39 0.00 0.00 -0.47 0.00 0.00 55.73 57.48 1xtf s ARG 821 Cb -0.90 -1.91 0.00 0.00 -0.57 0.00 0.00 34.95 31.57 1xtf s ARG 821 CO 0.45 -1.48 0.00 0.09 -1.08 0.00 0.00 175.30 173.28 1xtf n ASN 822 N -2.81 -5.65 -3.87 -2.89 3.02 -1.26 -4.95 115.26 96.85 1xtf n ASN 822 Ca 0.10 0.03 -0.16 0.00 -0.03 0.00 0.00 54.58 54.53 1xtf n ASN 822 Cb 0.52 -4.73 -0.09 0.00 -0.61 0.00 0.00 39.78 34.87 1xtf n ASN 822 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1xtf s THR 823 N -2.97 0.06 -0.93 3.41 -4.23 -1.24 -5.01 115.64 104.74 1xtf s THR 823 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1xtf s THR 823 Cb 0.00 -2.50 0.13 0.00 1.34 0.00 0.00 72.50 71.47 1xtf s THR 823 CO 0.00 0.00 0.72 -0.46 -0.54 0.00 0.00 174.62 174.34 1xtf n ASN 824 N -0.83 1.73 -0.15 3.99 6.94 -1.26 -3.21 115.26 122.47 1xtf n ASN 824 Ca 0.04 -2.15 0.10 0.00 -0.02 0.00 0.00 54.58 52.55 1xtf n ASN 824 Cb 0.65 -0.51 -0.08 0.00 -2.36 0.00 0.00 39.78 37.48 1xtf n ASN 824 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1xtf n LEU 825 N 0.09 1.28 0.08 -4.53 4.32 -1.26 -4.44 117.00 112.53 1xtf n LEU 825 Ca 0.05 -0.58 0.12 0.00 -0.02 0.00 0.00 56.01 55.57 1xtf n LEU 825 Cb 0.39 0.00 0.25 0.00 -1.62 0.00 0.00 43.42 42.44 1xtf n LEU 825 CO 0.05 0.28 0.52 0.00 -1.22 0.00 0.00 177.39 177.03 1xtf n ALA 826 N -1.01 2.71 -2.80 -1.18 0.00 -1.13 -1.77 120.51 115.33 1xtf n ALA 826 Ca 0.05 -0.17 -0.33 0.00 0.00 0.00 0.00 53.44 52.99 1xtf n ALA 826 Cb 0.36 -1.27 -0.07 0.00 0.00 0.00 0.00 19.45 18.47 1xtf n ALA 826 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xtf s ALA 827 N -3.15 3.65 -1.37 0.00 0.00 -1.26 -4.50 121.76 115.13 1xtf s ALA 827 Ca 0.08 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 1xtf s ALA 827 Cb 0.13 -1.63 0.09 0.00 0.00 0.00 0.00 23.12 21.71 1xtf s ALA 827 CO 0.68 0.71 0.58 0.09 0.00 0.00 0.00 175.76 177.82 1xtf n ASN 828 N 1.08 -3.77 -3.93 0.00 5.03 -1.26 -0.70 115.26 111.70 1xtf n ASN 828 Ca -0.12 -0.52 -0.32 0.00 0.87 0.00 0.00 54.58 54.49 1xtf n ASN 828 Cb 0.53 -3.10 -0.01 0.00 -1.02 0.00 0.00 39.78 36.17 1xtf n ASN 828 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1xtf n PHE 829 N -4.08 -1.86 0.18 3.10 3.72 -1.26 -4.81 117.46 112.46 1xtf n PHE 829 Ca 0.01 0.73 0.10 0.00 -0.05 0.00 0.00 57.45 58.23 1xtf n PHE 829 Cb 0.53 -3.11 0.62 0.00 -0.94 0.00 0.00 39.48 36.59 1xtf n PHE 829 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1xtf h ASN 830 N -1.45 0.06 0.32 4.37 2.35 -0.95 -0.58 115.58 119.69 1xtf h ASN 830 Ca -0.54 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.16 1xtf h ASN 830 Cb 1.35 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.70 1xtf h ASN 830 CO 0.69 0.04 -0.22 1.23 -1.65 0.00 0.00 177.43 177.52 1xtf h GLY 831 N 0.07 0.00 1.23 2.83 0.00 -1.55 -1.06 103.07 104.59 1xtf h GLY 831 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1xtf h GLY 831 CO -0.01 0.00 -0.57 -1.06 0.00 0.00 0.00 176.54 174.91 1xtf n GLN 832 N -4.03 0.28 -2.17 4.80 6.02 -0.28 -4.71 117.38 117.30 1xtf n GLN 832 Ca -0.02 0.09 -0.42 0.00 -0.01 0.00 0.00 57.00 56.64 1xtf n GLN 832 Cb 0.30 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 1xtf n GLN 832 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1xtf s ASN 833 N -4.21 6.80 0.00 1.08 3.84 -0.40 -0.60 114.94 121.45 1xtf s ASN 833 Ca 0.07 2.13 0.28 0.00 0.21 0.00 0.00 52.86 55.55 1xtf s ASN 833 Cb 0.13 -2.55 1.21 0.00 -0.55 0.00 0.00 41.25 39.49 1xtf s ASN 833 CO 0.71 -0.78 1.90 0.41 -2.79 0.00 0.00 177.10 176.55 1xtf n THR 834 N 4.90 0.08 -0.09 -5.21 -1.04 0.38 -1.72 114.28 111.57 1xtf n THR 834 Ca 0.14 0.02 -0.16 0.00 -2.04 0.00 0.00 64.05 62.01 1xtf n THR 834 Cb 0.43 -0.54 -0.08 0.00 -1.82 0.00 0.00 70.33 68.33 1xtf n THR 834 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1xtf n GLU 835 N -1.48 0.52 0.04 -2.82 -0.58 -1.26 -3.85 120.64 111.22 1xtf n GLU 835 Ca 0.07 0.53 -0.02 0.00 -0.42 0.00 0.00 57.16 57.33 1xtf n GLU 835 Cb 0.32 -1.71 -0.01 0.00 -0.57 0.00 0.00 31.44 29.47 1xtf n GLU 835 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1xtf h ILE 836 N -1.00 0.00 -0.09 -3.67 2.04 -1.87 -3.03 117.51 109.89 1xtf h ILE 836 Ca -0.23 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.52 1xtf h ILE 836 Cb 1.02 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1xtf h ILE 836 CO -0.14 0.00 -0.05 -3.20 0.00 0.00 0.00 178.15 174.76 1xtf n ASN 837 N -2.43 5.48 0.29 1.72 5.15 -0.70 -4.63 115.26 120.13 1xtf n ASN 837 Ca -0.01 -2.53 0.18 0.00 -0.60 0.00 0.00 54.58 51.62 1xtf n ASN 837 Cb 0.05 -1.21 0.92 0.00 -0.53 0.00 0.00 39.78 39.01 1xtf n ASN 837 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1xtf h ASN 838 N 1.70 0.00 1.04 1.20 -1.07 -1.63 -1.39 115.58 115.43 1xtf h ASN 838 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.47 1xtf h ASN 838 Cb 1.13 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.38 1xtf h ASN 838 CO 0.18 0.00 0.00 0.23 0.07 0.00 0.00 177.43 177.91 1xtf n MET 839 N -3.20 0.15 0.00 4.14 2.81 -1.26 -3.06 117.12 116.70 1xtf n MET 839 Ca -0.01 0.23 0.11 0.00 -1.81 0.00 0.00 57.70 56.22 1xtf n MET 839 Cb 0.31 -1.71 0.03 0.00 -0.71 0.00 0.00 33.22 31.13 1xtf n MET 839 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1xtf n ASN 840 N -1.99 1.42 -3.86 7.83 3.02 -0.52 -4.89 115.26 116.28 1xtf n ASN 840 Ca 0.05 -1.15 -0.23 0.00 -0.03 0.00 0.00 54.58 53.21 1xtf n ASN 840 Cb 0.32 0.59 -0.17 0.00 -0.61 0.00 0.00 39.78 39.92 1xtf n ASN 840 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1xtf s PHE 841 N -2.70 0.96 -0.30 3.10 0.08 -1.17 -4.47 117.98 113.47 1xtf s PHE 841 Ca 0.15 -0.35 -0.01 0.00 0.12 0.00 0.00 56.93 56.83 1xtf s PHE 841 Cb 0.17 -0.89 0.05 0.00 -0.57 0.00 0.00 43.02 41.78 1xtf s PHE 841 CO 0.68 -0.33 -0.01 0.99 -0.10 0.00 0.00 175.22 176.44 1xtf s THR 842 N 1.50 2.90 0.21 0.64 2.01 -0.71 -4.87 115.64 117.32 1xtf s THR 842 Ca -0.01 -1.41 -0.31 0.00 0.31 0.00 0.00 61.69 60.27 1xtf s THR 842 Cb -0.13 -2.67 -0.10 0.00 0.01 0.00 0.00 72.50 69.61 1xtf s THR 842 CO -0.04 -0.10 1.53 -0.75 -0.69 0.00 0.00 174.62 174.58 1xtf s LYS 843 N 1.24 4.22 -0.05 4.92 2.20 -1.26 0.07 119.74 131.08 1xtf s LYS 843 Ca -0.06 2.38 0.11 0.00 -0.36 0.00 0.00 55.97 58.04 1xtf s LYS 843 Cb -0.20 -3.12 -0.16 0.00 -1.51 0.00 0.00 37.83 32.84 1xtf s LYS 843 CO -0.01 -0.55 0.18 1.28 -0.36 0.00 0.00 175.35 175.88 1xtf n LEU 844 N 3.19 0.00 -3.64 5.43 4.77 -0.32 -4.88 117.00 121.55 1xtf n LEU 844 Ca 0.11 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.04 1xtf n LEU 844 Cb 0.39 0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1xtf n LEU 844 CO 0.62 0.09 1.06 -0.75 -1.33 0.00 0.00 177.39 177.07 1xtf s LYS 845 N -2.62 0.18 0.21 3.23 2.20 -1.23 -5.01 119.74 116.70 1xtf s LYS 845 Ca -0.05 0.15 -0.03 0.00 -0.36 0.00 0.00 55.97 55.69 1xtf s LYS 845 Cb 0.06 0.09 -0.05 0.00 -1.51 0.00 0.00 37.83 36.42 1xtf s LYS 845 CO 0.46 -0.03 0.43 -0.80 -0.36 0.00 0.00 175.35 175.05 1xtf s ASN 846 N -0.28 6.42 -0.58 1.43 -0.87 -1.26 -1.61 114.94 118.19 1xtf s ASN 846 Ca 0.06 0.52 -0.18 0.00 -1.57 0.00 0.00 52.86 51.70 1xtf s ASN 846 Cb -0.04 -2.06 0.12 0.00 -0.02 0.00 0.00 41.25 39.25 1xtf s ASN 846 CO -0.11 -0.07 0.63 -0.36 -2.57 0.00 0.00 177.10 174.62 1xtf s PHE 847 N -1.88 3.13 0.09 2.20 0.08 0.38 -4.94 117.98 117.03 1xtf s PHE 847 Ca 0.40 -1.14 -0.36 0.00 0.12 0.00 0.00 56.93 55.95 1xtf s PHE 847 Cb -0.11 -3.92 -0.17 0.00 -0.57 0.00 0.00 43.02 38.24 1xtf s PHE 847 CO 0.28 -1.17 1.56 1.15 -0.10 0.00 0.00 175.22 176.94 1xtf h THR 848 N 5.87 0.01 -3.18 0.64 2.02 -1.86 -3.47 112.91 112.94 1xtf h THR 848 Ca -0.28 0.00 -0.55 0.00 0.77 0.00 0.00 66.41 66.35 1xtf h THR 848 Cb 1.09 0.01 0.20 0.00 -1.74 0.00 0.00 68.15 67.70 1xtf h THR 848 CO 1.07 0.00 -0.56 -2.65 0.37 0.00 0.00 175.52 173.75 1xtf n PRO 849 N -5.56 0.08 0.00 6.66 -0.02 -1.26 -5.02 135.00 129.88 1xtf n PRO 849 Ca -0.12 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1xtf n PRO 849 Cb 0.46 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1xtf n PRO 849 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xtf n GLY 850 N 1.73 -1.61 0.00 -1.23 0.00 -1.26 -4.92 105.19 97.89 1xtf n GLY 850 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1xtf n GLY 850 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xtf n HIS 851 N 0.00 0.00 0.00 1.61 8.25 -1.26 -5.05 115.22 118.77 1xtf n HIS 851 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1xtf n HIS 851 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1xtf n HIS 851 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1xtf n HIS 852 N -0.14 0.00 -0.22 4.41 1.44 -1.26 -5.15 115.22 114.29 1xtf n HIS 852 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1xtf n HIS 852 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1xtf n HIS 852 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1xtf n HIS 853 N 0.00 0.00 0.00 -1.40 -0.00 -1.26 -4.90 115.22 107.66 1xtf n HIS 853 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1xtf n HIS 853 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1xtf n HIS 853 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1xtf n HIS 854 N 0.00 -0.11 0.00 1.57 -0.00 -1.26 -4.66 115.22 110.76 1xtf n HIS 854 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1xtf n HIS 854 Cb 0.00 0.03 0.00 0.00 -0.12 0.00 0.00 29.99 29.90 1xtf n HIS 854 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1xtf n HIS 855 N -1.09 0.00 -0.67 1.57 -0.00 -1.26 -5.16 115.22 108.61 1xtf n HIS 855 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1xtf n HIS 855 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1xtf n HIS 855 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52