#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p8x n ASP 415 N 0.00 1.23 -0.02 1.67 5.68 -1.26 -4.92 116.55 118.92 1p8x n ASP 415 Ca 0.00 -1.46 -0.00 0.00 -0.50 0.00 0.00 54.79 52.83 1p8x n ASP 415 Cb 0.00 -0.02 -0.00 0.00 -1.14 0.00 0.00 41.12 39.96 1p8x n ASP 415 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1p8x n GLY 416 N 1.12 0.45 1.03 6.12 0.00 -1.26 -4.86 105.19 107.79 1p8x n GLY 416 Ca 0.19 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1p8x n GLY 416 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1p8x n THR 417 N -2.87 0.41 -0.93 2.61 -2.24 -1.26 -4.14 114.28 105.86 1p8x n THR 417 Ca -0.00 -0.65 -0.30 0.00 -2.27 0.00 0.00 64.05 60.83 1p8x n THR 417 Cb 0.07 0.89 0.25 0.00 -2.10 0.00 0.00 70.33 69.44 1p8x n THR 417 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1p8x s GLY 418 N -1.54 1.55 0.28 3.38 0.00 -1.26 -4.98 107.32 104.75 1p8x s GLY 418 Ca 0.37 -0.88 -0.29 0.00 0.00 0.00 0.00 44.72 43.92 1p8x s GLY 418 CO 0.31 0.02 1.09 1.62 0.00 0.00 0.00 173.10 176.14 1p8x s GLN 419 N -5.29 4.65 0.06 2.90 0.74 -1.26 -4.85 119.66 116.61 1p8x s GLN 419 Ca 0.70 1.79 -0.09 0.00 0.05 0.00 0.00 55.36 57.81 1p8x s GLN 419 Cb -0.11 -3.19 0.00 0.00 1.10 0.00 0.00 33.01 30.81 1p8x s GLN 419 CO 0.57 0.22 0.20 -1.59 -0.55 0.00 0.00 175.29 174.14 1p8x s LYS 420 N -1.42 0.77 0.00 1.67 -2.85 -1.26 -1.27 119.74 115.38 1p8x s LYS 420 Ca 0.44 -0.78 0.04 0.00 -1.00 0.00 0.00 55.97 54.68 1p8x s LYS 420 Cb -0.32 0.32 -0.01 0.00 -2.06 0.00 0.00 37.83 35.76 1p8x s LYS 420 CO 0.41 -0.23 -0.13 -0.65 0.10 0.00 0.00 175.35 174.84 1p8x s GLN 421 N -3.17 1.04 -0.05 1.78 -0.21 -0.31 -5.00 119.66 113.74 1p8x s GLN 421 Ca -0.00 -0.54 0.04 0.00 0.02 0.00 0.00 55.36 54.88 1p8x s GLN 421 Cb 0.02 -1.02 -0.00 0.00 1.00 0.00 0.00 33.01 33.01 1p8x s GLN 421 CO -0.07 0.27 -0.17 0.42 -2.12 0.00 0.00 175.29 173.62 1p8x s ILE 422 N -0.43 1.41 0.13 1.08 1.01 -1.26 -1.17 121.20 121.97 1p8x s ILE 422 Ca 0.04 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 60.07 1p8x s ILE 422 Cb -0.06 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 1p8x s ILE 422 CO -0.00 0.41 -0.17 0.26 0.00 0.00 0.00 174.94 175.44 1p8x s TRP 423 N 0.10 1.62 -0.09 3.97 0.51 -0.38 -1.11 118.94 123.56 1p8x s TRP 423 Ca -0.05 -0.49 0.01 0.00 -2.12 0.00 0.00 56.10 53.45 1p8x s TRP 423 Cb -0.12 -0.84 -0.02 0.00 -0.81 0.00 0.00 33.47 31.67 1p8x s TRP 423 CO 0.02 0.22 -0.10 0.50 -0.51 0.00 0.00 176.95 177.08 1p8x s ARG 424 N -2.47 2.95 -0.06 4.98 3.52 0.15 -0.98 118.95 127.04 1p8x s ARG 424 Ca 0.10 -0.62 -0.30 0.00 -0.13 0.00 0.00 55.73 54.78 1p8x s ARG 424 Cb -0.07 -2.58 -0.04 0.00 -1.56 0.00 0.00 34.95 30.70 1p8x s ARG 424 CO 0.04 0.49 1.34 0.42 -0.81 0.00 0.00 175.30 176.79 1p8x s ILE 425 N -0.37 3.98 -0.23 4.11 1.09 -0.49 0.27 121.20 129.56 1p8x s ILE 425 Ca 0.05 1.30 -0.03 0.00 -1.10 0.00 0.00 60.65 60.87 1p8x s ILE 425 Cb -0.12 -3.84 0.07 0.00 -1.06 0.00 0.00 42.46 37.51 1p8x s ILE 425 CO 0.02 -0.04 0.06 -1.61 -0.10 0.00 0.00 174.94 173.28 1p8x s GLU 426 N 2.75 0.59 6.16 2.79 2.02 -0.42 -4.69 118.70 127.90 1p8x s GLU 426 Ca 0.60 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 55.03 1p8x s GLU 426 Cb -0.27 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 31.99 1p8x s GLU 426 CO 0.23 -0.76 0.00 0.41 0.02 0.00 0.00 175.26 175.16 1p8x n GLY 427 N 5.04 2.10 0.52 -1.39 0.00 -1.26 -2.29 105.19 107.90 1p8x n GLY 427 Ca -0.07 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.61 1p8x n GLY 427 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p8x n SER 428 N 3.95 1.71 -4.88 1.61 3.41 -1.26 -4.86 113.62 113.31 1p8x n SER 428 Ca 0.00 -1.47 -0.21 0.00 -0.26 0.00 0.00 58.87 56.93 1p8x n SER 428 Cb 0.00 0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1p8x n SER 428 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1p8x s ASN 429 N -2.13 5.32 -0.18 4.04 0.01 -0.97 -4.87 114.94 116.17 1p8x s ASN 429 Ca 0.32 -0.51 -0.04 0.00 -0.71 0.00 0.00 52.86 51.91 1p8x s ASN 429 Cb 0.20 -0.90 -0.03 0.00 0.41 0.00 0.00 41.25 40.93 1p8x s ASN 429 CO 0.38 -0.44 -0.02 -1.59 -1.51 0.00 0.00 177.10 173.93 1p8x s LYS 430 N -4.05 3.66 -0.09 -0.60 -2.85 -1.26 -1.30 119.74 113.24 1p8x s LYS 430 Ca 0.43 -0.51 0.03 0.00 -1.00 0.00 0.00 55.97 54.91 1p8x s LYS 430 Cb -0.06 -3.00 -0.02 0.00 -2.06 0.00 0.00 37.83 32.70 1p8x s LYS 430 CO 0.27 0.14 -0.17 0.08 0.10 0.00 0.00 175.35 175.78 1p8x s VAL 431 N 0.65 2.79 0.26 1.79 1.01 0.14 -4.84 120.40 122.20 1p8x s VAL 431 Ca -0.01 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 1p8x s VAL 431 Cb -0.14 -2.11 -0.14 0.00 0.00 0.00 0.00 36.38 33.99 1p8x s VAL 431 CO 0.02 0.56 1.29 -2.65 0.00 0.00 0.00 175.10 174.32 1p8x n PRO 432 N 3.04 1.85 -3.43 2.72 -0.02 -1.26 0.29 135.00 138.19 1p8x n PRO 432 Ca -0.18 0.65 -0.38 0.00 -2.02 0.00 0.00 63.50 61.57 1p8x n PRO 432 Cb 0.52 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.71 1p8x n PRO 432 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1p8x s VAL 433 N -0.45 4.94 -0.18 -1.45 1.01 -0.27 -4.76 120.40 119.25 1p8x s VAL 433 Ca 0.65 0.96 -0.33 0.00 0.00 0.00 0.00 61.98 63.26 1p8x s VAL 433 Cb -0.66 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 31.85 1p8x s VAL 433 CO 0.54 0.57 2.05 -0.67 0.00 0.00 0.00 175.10 177.58 1p8x n ASP 434 N 1.83 3.14 -0.16 3.32 4.64 -1.26 -4.81 116.55 123.26 1p8x n ASP 434 Ca -0.13 0.65 0.29 0.00 -1.38 0.00 0.00 54.79 54.22 1p8x n ASP 434 Cb 0.52 -1.40 0.68 0.00 -1.04 0.00 0.00 41.12 39.88 1p8x n ASP 434 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1p8x h PRO 435 N 11.50 0.00 0.00 -0.67 0.11 -1.95 0.42 132.00 141.42 1p8x h PRO 435 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1p8x h PRO 435 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1p8x h PRO 435 CO 0.97 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 1p8x h ALA 436 N 1.22 1.00 -0.46 -0.75 0.00 -2.05 -3.08 119.26 115.15 1p8x h ALA 436 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1p8x h ALA 436 Cb 2.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1p8x h ALA 436 CO -0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 1p8x n THR 437 N -2.98 2.04 -1.69 0.00 -2.24 0.15 -5.00 114.28 104.56 1p8x n THR 437 Ca 0.02 -1.44 -0.44 0.00 -2.27 0.00 0.00 64.05 59.92 1p8x n THR 437 Cb 0.37 -0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.55 1p8x n THR 437 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1p8x n TYR 438 N 0.38 2.53 0.00 4.78 0.53 -1.17 -1.49 117.16 122.72 1p8x n TYR 438 Ca 0.22 0.01 0.00 0.00 -1.02 0.00 0.00 57.90 57.12 1p8x n TYR 438 Cb 0.88 -2.67 0.00 0.00 -1.03 0.00 0.00 39.34 36.52 1p8x n TYR 438 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1p8x n GLY 439 N 3.99 2.10 3.57 2.72 0.00 -1.26 -5.01 105.19 111.30 1p8x n GLY 439 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1p8x n GLY 439 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1p8x s GLN 440 N -0.16 3.48 0.04 1.61 0.00 -0.56 -1.18 119.66 122.89 1p8x s GLN 440 Ca 0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 55.36 54.89 1p8x s GLN 440 Cb 0.00 -2.90 -0.03 0.00 0.00 0.00 0.00 33.01 30.08 1p8x s GLN 440 CO 0.00 0.39 -0.04 -0.06 0.00 0.00 0.00 175.29 175.58 1p8x s PHE 441 N -0.04 0.43 -0.19 9.60 0.40 0.49 -4.97 117.98 123.71 1p8x s PHE 441 Ca 0.02 -0.68 -0.22 0.00 -0.60 0.00 0.00 56.93 55.46 1p8x s PHE 441 Cb -0.13 -0.29 -0.02 0.00 0.51 0.00 0.00 43.02 43.08 1p8x s PHE 441 CO 0.02 -0.22 0.66 0.71 0.70 0.00 0.00 175.22 177.10 1p8x s TYR 442 N -2.19 3.38 -0.44 0.36 2.02 -1.26 -0.31 117.35 118.91 1p8x s TYR 442 Ca -0.08 0.99 0.22 0.00 -0.37 0.00 0.00 57.07 57.83 1p8x s TYR 442 Cb -0.05 -2.83 1.00 0.00 -0.40 0.00 0.00 41.96 39.68 1p8x s TYR 442 CO -0.03 -0.18 1.68 0.41 -1.57 0.00 0.00 175.55 175.85 1p8x n GLY 443 N 3.73 -1.15 0.05 0.71 0.00 -0.08 -1.49 105.19 106.95 1p8x n GLY 443 Ca -0.00 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1p8x n GLY 443 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8x n GLY 444 N -0.34 -1.17 3.82 -0.02 0.00 -0.12 -0.29 105.19 107.05 1p8x n GLY 444 Ca 0.01 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 1p8x n GLY 444 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1p8x s ASP 445 N -2.85 4.80 -0.00 1.61 1.01 -0.56 -2.86 116.67 117.82 1p8x s ASP 445 Ca 0.16 -0.87 0.05 0.00 0.71 0.00 0.00 52.55 52.60 1p8x s ASP 445 Cb 0.18 -0.55 -0.03 0.00 1.01 0.00 0.00 42.92 43.54 1p8x s ASP 445 CO 0.60 -0.59 -0.15 -0.44 0.21 0.00 0.00 175.17 174.81 1p8x s SER 446 N -4.03 4.01 0.15 0.27 0.01 -1.26 -0.97 113.70 111.89 1p8x s SER 446 Ca 0.45 -0.29 0.05 0.00 1.31 0.00 0.00 55.95 57.47 1p8x s SER 446 Cb -0.00 -0.78 -0.04 0.00 0.21 0.00 0.00 66.02 65.40 1p8x s SER 446 CO 0.26 0.30 -0.10 -0.31 0.41 0.00 0.00 173.24 173.79 1p8x s TYR 447 N -0.85 1.29 -0.09 2.43 1.51 0.29 -1.40 117.35 120.52 1p8x s TYR 447 Ca 0.14 -0.76 0.03 0.00 -1.01 0.00 0.00 57.07 55.47 1p8x s TYR 447 Cb -0.11 -0.65 0.01 0.00 -0.11 0.00 0.00 41.96 41.10 1p8x s TYR 447 CO 0.04 0.09 -0.18 0.42 -1.11 0.00 0.00 175.55 174.81 1p8x s ILE 448 N -3.32 1.61 -0.14 2.71 1.01 -0.15 -1.24 121.20 121.68 1p8x s ILE 448 Ca 0.17 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.09 1p8x s ILE 448 Cb 0.02 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 41.08 1p8x s ILE 448 CO 0.01 0.46 -0.21 -0.63 0.00 0.00 0.00 174.94 174.57 1p8x s ILE 449 N 0.58 2.03 -0.28 2.92 1.01 0.60 -1.25 121.20 126.80 1p8x s ILE 449 Ca -0.15 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.48 1p8x s ILE 449 Cb -0.17 -1.80 -0.00 0.00 0.01 0.00 0.00 42.46 40.51 1p8x s ILE 449 CO 0.05 0.54 0.07 -0.22 0.00 0.00 0.00 174.94 175.38 1p8x s LEU 450 N 0.87 3.66 -0.02 2.97 2.96 -0.32 -0.06 118.68 128.74 1p8x s LEU 450 Ca -0.06 -0.56 0.08 0.00 -0.22 0.00 0.00 54.13 53.37 1p8x s LEU 450 Cb -0.15 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 1p8x s LEU 450 CO -0.03 -0.14 -0.25 -0.47 -1.32 0.00 0.00 176.35 174.14 1p8x s TYR 451 N 1.52 2.25 -0.18 5.38 5.04 -0.16 -1.17 117.35 130.04 1p8x s TYR 451 Ca 0.04 -0.42 -0.06 0.00 -2.44 0.00 0.00 57.07 54.19 1p8x s TYR 451 Cb -0.16 -1.44 -0.03 0.00 0.35 0.00 0.00 41.96 40.67 1p8x s TYR 451 CO 0.02 -0.03 0.02 -0.80 -1.34 0.00 0.00 175.55 173.41 1p8x s ASN 452 N -0.61 5.18 0.73 4.32 -0.87 -0.40 -1.25 114.94 122.04 1p8x s ASN 452 Ca 0.10 -0.05 -0.03 0.00 -1.57 0.00 0.00 52.86 51.30 1p8x s ASN 452 Cb -0.10 -1.87 0.10 0.00 -0.02 0.00 0.00 41.25 39.36 1p8x s ASN 452 CO -0.01 0.15 0.64 -1.22 -2.57 0.00 0.00 177.10 174.09 1p8x n TYR 453 N 3.69 -3.42 -3.21 2.20 4.02 0.84 -4.16 117.16 117.13 1p8x n TYR 453 Ca -0.17 -0.90 -0.10 0.00 -0.01 0.00 0.00 57.90 56.72 1p8x n TYR 453 Cb 0.52 -0.48 -0.04 0.00 -0.02 0.00 0.00 39.34 39.32 1p8x n TYR 453 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1p8x s ARG 454 N -4.19 0.81 0.00 -0.72 1.81 -1.26 -3.85 118.95 111.55 1p8x s ARG 454 Ca 0.40 -0.87 0.00 0.00 -1.72 0.00 0.00 55.73 53.53 1p8x s ARG 454 Cb -0.02 -0.43 0.00 0.00 -0.45 0.00 0.00 34.95 34.05 1p8x s ARG 454 CO 0.27 -1.24 0.00 1.58 -0.68 0.00 0.00 175.30 175.23 1p8x n HIS 455 N 3.88 0.00 -2.47 -0.53 -0.00 -1.26 -5.07 115.22 109.77 1p8x n HIS 455 Ca 0.15 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.33 1p8x n HIS 455 Cb 0.51 0.21 0.00 0.00 -0.12 0.00 0.00 29.99 30.59 1p8x n HIS 455 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1p8x n GLY 460 N 2.34 0.07 3.18 1.57 0.00 -1.25 -5.30 105.19 105.81 1p8x n GLY 460 Ca 0.00 -1.41 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 1p8x n GLY 460 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p8x s GLN 461 N -2.00 0.62 0.01 1.61 -0.21 -1.26 -0.11 119.66 118.32 1p8x s GLN 461 Ca 0.00 -0.36 0.03 0.00 0.02 0.00 0.00 55.36 55.04 1p8x s GLN 461 Cb 0.00 0.27 -0.01 0.00 1.00 0.00 0.00 33.01 34.26 1p8x s GLN 461 CO 0.00 -0.17 -0.08 -1.50 -2.12 0.00 0.00 175.29 171.42 1p8x s ILE 462 N -1.65 0.62 -0.22 1.08 2.07 -0.38 -0.35 121.20 122.37 1p8x s ILE 462 Ca -0.12 -0.55 -0.02 0.00 -1.41 0.00 0.00 60.65 58.55 1p8x s ILE 462 Cb -0.05 -0.56 0.01 0.00 0.13 0.00 0.00 42.46 41.98 1p8x s ILE 462 CO 0.01 0.03 -0.08 -0.63 -1.91 0.00 0.00 174.94 172.36 1p8x s ILE 463 N -0.50 2.95 -0.22 2.00 1.01 1.00 -0.98 121.20 126.45 1p8x s ILE 463 Ca -0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 1p8x s ILE 463 Cb -0.05 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1p8x s ILE 463 CO 0.00 0.40 0.10 -0.31 0.00 0.00 0.00 174.94 175.13 1p8x s TYR 464 N 1.40 3.23 -0.28 3.97 2.02 0.91 -1.08 117.35 127.51 1p8x s TYR 464 Ca 0.04 0.01 -0.11 0.00 -0.37 0.00 0.00 57.07 56.64 1p8x s TYR 464 Cb -0.14 -2.19 -0.05 0.00 -0.40 0.00 0.00 41.96 39.18 1p8x s TYR 464 CO -0.06 -0.00 0.20 -0.80 -1.57 0.00 0.00 175.55 173.32 1p8x s ASN 465 N 0.93 6.03 -0.19 2.29 0.01 -0.33 -0.29 114.94 123.38 1p8x s ASN 465 Ca 0.05 -0.02 -0.02 0.00 -0.71 0.00 0.00 52.86 52.17 1p8x s ASN 465 Cb -0.14 -2.12 0.00 0.00 0.41 0.00 0.00 41.25 39.40 1p8x s ASN 465 CO 0.03 -0.06 -0.11 0.86 -1.51 0.00 0.00 177.10 176.31 1p8x s TRP 466 N 1.77 2.87 -0.32 2.20 -0.00 -0.37 0.16 118.94 125.25 1p8x s TRP 466 Ca 0.07 -1.13 -0.06 0.00 -0.00 0.00 0.00 56.10 54.98 1p8x s TRP 466 Cb -0.16 -2.01 0.03 0.00 -0.00 0.00 0.00 33.47 31.33 1p8x s TRP 466 CO 0.11 -0.59 0.08 -1.14 -0.00 0.00 0.00 176.95 175.42 1p8x s GLN 467 N 1.25 2.79 0.66 5.86 0.74 0.58 -0.55 119.66 130.99 1p8x s GLN 467 Ca 0.03 -1.06 -0.17 0.00 0.05 0.00 0.00 55.36 54.21 1p8x s GLN 467 Cb -0.14 -3.40 -0.02 0.00 1.10 0.00 0.00 33.01 30.55 1p8x s GLN 467 CO -0.05 -0.57 1.07 0.41 -0.55 0.00 0.00 175.29 175.60 1p8x n GLY 468 N 4.82 -0.08 0.30 2.59 0.00 -0.14 -1.15 105.19 111.53 1p8x n GLY 468 Ca -0.13 -0.21 0.15 0.00 0.00 0.00 0.00 46.02 45.83 1p8x n GLY 468 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p8x h ALA 469 N 0.25 1.52 -0.18 4.61 0.00 -1.65 -1.72 119.26 122.09 1p8x h ALA 469 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1p8x h ALA 469 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1p8x h ALA 469 CO 0.50 -0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.79 1p8x n GLN 470 N -3.84 2.66 -1.99 0.00 3.00 0.60 -5.02 117.38 112.78 1p8x n GLN 470 Ca -0.03 -2.21 -0.41 0.00 -0.01 0.00 0.00 57.00 54.34 1p8x n GLN 470 Cb 0.08 -1.39 -0.01 0.00 0.00 0.00 0.00 30.24 28.92 1p8x n GLN 470 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1p8x s SER 471 N -1.55 6.60 0.75 1.08 0.15 -0.65 -4.66 113.70 115.42 1p8x s SER 471 Ca 0.24 2.83 -0.11 0.00 0.70 0.00 0.00 55.95 59.60 1p8x s SER 471 Cb 0.17 -2.66 0.04 0.00 -1.71 0.00 0.00 66.02 61.87 1p8x s SER 471 CO 0.08 -0.67 1.10 0.42 1.20 0.00 0.00 173.24 175.37 1p8x s THR 472 N -1.14 3.30 0.43 6.45 -4.23 -1.26 -4.92 115.64 114.27 1p8x s THR 472 Ca 0.51 0.42 0.18 0.00 -1.18 0.00 0.00 61.69 61.62 1p8x s THR 472 Cb -0.42 -3.29 0.20 0.00 1.34 0.00 0.00 72.50 70.33 1p8x s THR 472 CO 0.57 -0.55 1.99 -0.61 -0.54 0.00 0.00 174.62 175.48 1p8x h GLN 473 N -0.86 0.00 0.00 3.99 5.75 -1.99 -1.90 115.11 120.09 1p8x h GLN 473 Ca -0.46 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 57.89 1p8x h GLN 473 Cb 1.26 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.79 1p8x h GLN 473 CO 0.61 0.19 -0.70 0.38 -2.65 0.00 0.00 178.83 176.67 1p8x h ASP 474 N 0.00 0.00 0.53 -0.69 3.04 -1.98 -1.50 116.42 115.82 1p8x h ASP 474 Ca -0.00 0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 53.59 1p8x h ASP 474 Cb 0.38 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.66 1p8x h ASP 474 CO 0.02 0.70 -0.89 -0.33 -2.04 0.00 0.00 179.24 176.71 1p8x h GLU 475 N 0.00 0.24 -0.55 4.15 5.08 -1.74 0.72 114.58 122.49 1p8x h GLU 475 Ca -0.01 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.01 1p8x h GLU 475 Cb 1.34 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 1p8x h GLU 475 CO 0.09 0.98 0.03 0.28 -1.00 0.00 0.00 179.01 179.39 1p8x h VAL 476 N 0.14 1.26 -0.47 3.13 2.07 -1.29 0.10 116.25 121.18 1p8x h VAL 476 Ca -0.05 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.32 1p8x h VAL 476 Cb 1.51 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 1p8x h VAL 476 CO 0.14 0.38 -0.04 0.00 0.02 0.00 0.00 177.57 178.07 1p8x h ALA 477 N 0.97 0.64 -0.57 1.67 0.00 -1.06 -2.28 119.26 118.63 1p8x h ALA 477 Ca 0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1p8x h ALA 477 Cb 0.49 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1p8x h ALA 477 CO 0.02 0.48 0.28 0.00 0.00 0.00 0.00 179.25 180.03 1p8x h ALA 478 N 0.91 0.73 -0.24 0.00 0.00 -0.52 -2.69 119.26 117.44 1p8x h ALA 478 Ca 0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1p8x h ALA 478 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1p8x h ALA 478 CO 0.03 0.28 -0.03 0.66 0.00 0.00 0.00 179.25 180.19 1p8x h SER 479 N 0.76 0.34 -0.71 0.00 4.64 -0.83 0.11 113.55 117.87 1p8x h SER 479 Ca 0.20 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 1p8x h SER 479 Cb 0.10 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 1p8x h SER 479 CO -0.03 0.43 0.30 0.00 -0.87 0.00 0.00 176.83 176.67 1p8x h ALA 480 N 1.61 0.92 -0.16 5.18 0.00 -1.09 0.76 119.26 126.48 1p8x h ALA 480 Ca 0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1p8x h ALA 480 Cb 0.30 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1p8x h ALA 480 CO 0.01 0.52 -0.10 0.82 0.00 0.00 0.00 179.25 180.51 1p8x h ILE 481 N 1.01 1.32 -0.39 0.00 2.04 -1.04 -1.02 117.51 119.43 1p8x h ILE 481 Ca 0.24 -1.17 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 1p8x h ILE 481 Cb 0.18 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1p8x h ILE 481 CO -0.02 0.35 0.14 -0.07 0.00 0.00 0.00 178.15 178.54 1p8x h LEU 482 N 0.00 0.50 -0.13 1.44 3.38 -0.60 0.15 115.31 120.06 1p8x h LEU 482 Ca 0.03 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 1p8x h LEU 482 Cb 0.59 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.22 1p8x h LEU 482 CO 0.03 0.47 -0.70 0.74 0.09 0.00 0.00 178.44 179.07 1p8x h THR 483 N 0.55 1.31 -0.92 0.22 2.02 0.60 -1.76 112.91 114.93 1p8x h THR 483 Ca 0.13 -1.94 0.04 0.00 0.77 0.00 0.00 66.41 65.41 1p8x h THR 483 Cb 0.14 2.09 -0.05 0.00 -1.74 0.00 0.00 68.15 68.58 1p8x h THR 483 CO -0.01 0.60 0.60 0.00 0.37 0.00 0.00 175.52 177.08 1p8x h ALA 484 N 0.51 1.43 -0.25 6.16 0.00 -0.51 -0.09 119.26 126.51 1p8x h ALA 484 Ca -0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1p8x h ALA 484 Cb 1.34 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1p8x h ALA 484 CO 0.14 0.48 -0.18 1.96 0.00 0.00 0.00 179.25 181.65 1p8x h GLN 485 N 1.14 0.57 -0.72 0.00 4.20 -0.56 -2.75 115.11 116.98 1p8x h GLN 485 Ca 0.37 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 1p8x h GLN 485 Cb 0.04 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1p8x h GLN 485 CO -0.11 0.85 0.36 1.25 -0.67 0.00 0.00 178.83 180.51 1p8x h LEU 486 N 0.28 0.94 -0.84 1.46 5.85 -0.88 -0.41 115.31 121.71 1p8x h LEU 486 Ca 0.05 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1p8x h LEU 486 Cb 0.72 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1p8x h LEU 486 CO 0.05 0.80 0.56 -0.78 -0.34 0.00 0.00 178.44 178.72 1p8x h ASP 487 N 1.01 0.97 -0.29 1.25 1.82 -1.01 -0.74 116.42 119.42 1p8x h ASP 487 Ca 0.25 -0.03 -0.11 0.00 -0.39 0.00 0.00 57.03 56.75 1p8x h ASP 487 Cb 0.10 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 1p8x h ASP 487 CO -0.03 0.70 -0.25 -0.33 -1.61 0.00 0.00 179.24 177.72 1p8x h GLU 488 N 1.14 0.68 -0.70 0.28 5.08 -1.17 0.25 114.58 120.15 1p8x h GLU 488 Ca 0.31 -0.34 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1p8x h GLU 488 Cb -0.13 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.08 1p8x h GLU 488 CO -0.07 0.95 0.46 1.49 -1.00 0.00 0.00 179.01 180.85 1p8x h GLU 489 N 0.43 0.57 -0.50 2.33 4.81 -0.63 0.53 114.58 122.12 1p8x h GLU 489 Ca 0.05 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1p8x h GLU 489 Cb 0.81 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1p8x h GLU 489 CO 0.06 0.38 0.00 1.28 -0.73 0.00 0.00 179.01 180.00 1p8x n LEU 490 N -4.49 2.47 -0.29 1.64 4.32 -0.32 -4.92 117.00 115.41 1p8x n LEU 490 Ca 0.11 -1.24 -0.04 0.00 -0.02 0.00 0.00 56.01 54.83 1p8x n LEU 490 Cb 0.34 -0.35 -0.01 0.00 -1.62 0.00 0.00 43.42 41.77 1p8x n LEU 490 CO 0.33 0.50 -0.04 0.61 -1.22 0.00 0.00 177.39 177.58 1p8x n GLY 491 N 0.90 0.63 2.84 -0.72 0.00 0.18 -3.71 105.19 105.31 1p8x n GLY 491 Ca 0.13 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1p8x n GLY 491 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8x n GLY 492 N -2.46 0.24 0.10 -0.02 0.00 0.87 -4.89 105.19 99.03 1p8x n GLY 492 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1p8x n GLY 492 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1p8x h THR 493 N 0.00 0.74 -4.29 2.61 1.35 -1.78 -3.48 112.91 108.06 1p8x h THR 493 Ca 0.00 -2.25 -0.51 0.00 -0.55 0.00 0.00 66.41 63.09 1p8x h THR 493 Cb 0.46 2.25 0.13 0.00 -1.73 0.00 0.00 68.15 69.26 1p8x h THR 493 CO 0.00 0.42 0.32 -2.16 -0.25 0.00 0.00 175.52 173.85 1p8x s PRO 494 N -2.88 2.28 0.22 4.72 0.04 -1.26 -4.81 135.00 133.31 1p8x s PRO 494 Ca -0.01 1.23 -0.20 0.00 0.04 0.00 0.00 61.00 62.06 1p8x s PRO 494 Cb 0.08 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.65 1p8x s PRO 494 CO 0.80 -1.63 0.74 0.08 0.04 0.00 0.00 177.00 177.02 1p8x s VAL 495 N -2.79 4.54 -0.05 -0.36 1.01 0.52 -4.90 120.40 118.38 1p8x s VAL 495 Ca 0.62 1.34 0.05 0.00 0.00 0.00 0.00 61.98 63.99 1p8x s VAL 495 Cb -0.18 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 1p8x s VAL 495 CO 0.54 0.23 -0.19 -1.10 0.00 0.00 0.00 175.10 174.58 1p8x s GLN 496 N -1.91 2.44 -0.15 2.72 -0.21 -1.26 -0.00 119.66 121.28 1p8x s GLN 496 Ca 0.43 -0.79 -0.04 0.00 0.02 0.00 0.00 55.36 54.98 1p8x s GLN 496 Cb -0.17 -2.27 0.06 0.00 1.00 0.00 0.00 33.01 31.63 1p8x s GLN 496 CO 0.21 0.55 0.12 0.45 -2.12 0.00 0.00 175.29 174.51 1p8x s SER 497 N -0.57 1.83 -0.21 5.90 0.15 -0.24 -4.95 113.70 115.62 1p8x s SER 497 Ca 0.08 -0.35 -0.19 0.00 0.70 0.00 0.00 55.95 56.19 1p8x s SER 497 Cb -0.11 -0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.13 1p8x s SER 497 CO 0.01 -0.32 0.53 -0.60 1.20 0.00 0.00 173.24 174.05 1p8x s ARG 498 N 2.20 4.18 0.01 5.44 3.52 -1.26 -1.19 118.95 131.85 1p8x s ARG 498 Ca 0.04 0.43 0.08 0.00 -0.13 0.00 0.00 55.73 56.14 1p8x s ARG 498 Cb -0.15 -3.57 -0.02 0.00 -1.56 0.00 0.00 34.95 29.64 1p8x s ARG 498 CO -0.09 -0.18 -0.23 0.08 -0.81 0.00 0.00 175.30 174.07 1p8x s VAL 499 N 1.74 1.83 0.09 7.11 1.01 0.42 -4.93 120.40 127.68 1p8x s VAL 499 Ca 0.24 -1.11 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1p8x s VAL 499 Cb -0.15 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1p8x s VAL 499 CO 0.10 0.40 0.02 0.68 0.00 0.00 0.00 175.10 176.30 1p8x s VAL 500 N -0.65 4.14 0.13 2.92 -7.23 -1.26 -0.31 120.40 118.14 1p8x s VAL 500 Ca 0.09 -0.95 -0.34 0.00 -1.81 0.00 0.00 61.98 58.97 1p8x s VAL 500 Cb -0.09 -2.99 -0.17 0.00 0.56 0.00 0.00 36.38 33.70 1p8x s VAL 500 CO 0.00 0.11 1.12 1.67 -0.31 0.00 0.00 175.10 177.69 1p8x n GLN 501 N 0.50 0.85 0.00 4.82 7.27 -0.30 -1.10 117.38 129.42 1p8x n GLN 501 Ca -0.10 0.30 0.00 0.00 0.07 0.00 0.00 57.00 57.27 1p8x n GLN 501 Cb 0.52 -1.78 0.00 0.00 2.41 0.00 0.00 30.24 31.39 1p8x n GLN 501 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1p8x n GLY 502 N 2.00 3.24 1.47 1.69 0.00 -1.26 -4.86 105.19 107.47 1p8x n GLY 502 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 1p8x n GLY 502 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1p8x n LYS 503 N -1.83 2.49 -2.13 1.61 4.76 -0.25 -0.94 118.16 121.86 1p8x n LYS 503 Ca 0.00 -3.07 -0.41 0.00 -2.87 0.00 0.00 58.31 51.96 1p8x n LYS 503 Cb 0.00 -1.97 -0.03 0.00 -1.84 0.00 0.00 35.03 31.20 1p8x n LYS 503 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1p8x s GLU 504 N -3.13 4.34 0.94 1.97 8.01 -1.26 -4.74 118.70 124.83 1p8x s GLU 504 Ca 0.48 2.16 -0.12 0.00 0.01 0.00 0.00 54.97 57.50 1p8x s GLU 504 Cb 0.41 -3.16 0.16 0.00 -4.31 0.00 0.00 34.13 27.23 1p8x s GLU 504 CO 0.06 -0.31 1.11 -2.14 0.01 0.00 0.00 175.26 173.98 1p8x s PRO 505 N -0.27 0.88 0.29 0.39 0.02 -1.26 -4.85 135.00 130.20 1p8x s PRO 505 Ca 0.57 0.50 -0.02 0.00 0.02 0.00 0.00 61.00 62.07 1p8x s PRO 505 Cb -0.39 -1.79 0.43 0.00 0.02 0.00 0.00 34.50 32.77 1p8x s PRO 505 CO 0.41 -2.42 1.95 0.00 -0.33 0.00 0.00 177.00 176.61 1p8x h ALA 506 N -1.67 1.38 -0.82 -1.55 0.00 -1.99 -2.49 119.26 112.12 1p8x h ALA 506 Ca -0.52 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.34 1p8x h ALA 506 Cb 1.32 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1p8x h ALA 506 CO 0.59 0.55 0.53 1.25 0.00 0.00 0.00 179.25 182.16 1p8x h HIS 507 N 1.08 0.99 -0.44 0.00 -0.00 -1.95 -0.88 115.15 113.95 1p8x h HIS 507 Ca 0.29 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.63 1p8x h HIS 507 Cb -0.07 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.00 1p8x h HIS 507 CO 0.00 0.58 0.09 1.25 -0.00 0.00 0.00 177.93 179.85 1p8x h LEU 508 N 1.03 0.68 -1.81 0.26 5.85 -1.81 -2.25 115.31 117.27 1p8x h LEU 508 Ca 0.32 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1p8x h LEU 508 Cb -0.01 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 1p8x h LEU 508 CO -0.11 0.76 -0.15 0.24 -0.34 0.00 0.00 178.44 178.84 1p8x h MET 509 N 0.58 0.00 0.00 1.25 2.86 -1.19 -1.91 114.93 116.52 1p8x h MET 509 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1p8x h MET 509 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1p8x h MET 509 CO 0.01 0.15 0.00 -1.13 1.06 0.00 0.00 176.91 177.00 1p8x n SER 510 N -3.86 0.42 0.26 1.22 3.41 -0.37 -3.68 113.62 111.01 1p8x n SER 510 Ca -0.02 0.57 0.18 0.00 -0.26 0.00 0.00 58.87 59.34 1p8x n SER 510 Cb 0.25 -0.67 0.87 0.00 -0.26 0.00 0.00 64.21 64.40 1p8x n SER 510 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1p8x h LEU 511 N 0.00 0.00 -3.91 1.04 4.07 -1.21 -3.24 115.31 112.07 1p8x h LEU 511 Ca 0.00 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.40 1p8x h LEU 511 Cb 0.47 0.00 -0.29 0.00 1.08 0.00 0.00 40.66 41.92 1p8x h LEU 511 CO 0.00 0.00 0.56 0.49 -1.08 0.00 0.00 178.44 178.41 1p8x n PHE 512 N -2.81 2.92 -4.20 1.13 3.01 -1.24 -4.89 117.46 111.37 1p8x n PHE 512 Ca -0.01 -2.43 -0.34 0.00 1.01 0.00 0.00 57.45 55.68 1p8x n PHE 512 Cb 0.14 -1.09 -0.04 0.00 -0.01 0.00 0.00 39.48 38.48 1p8x n PHE 512 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p8x n GLY 513 N -1.00 -0.36 1.94 1.37 0.00 -1.22 -1.29 105.19 104.63 1p8x n GLY 513 Ca 0.57 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1p8x n GLY 513 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8x n GLY 514 N -1.61 2.85 3.79 -0.02 0.00 -1.26 -5.04 105.19 103.91 1p8x n GLY 514 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1p8x n GLY 514 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p8x s LYS 515 N -0.49 3.20 0.65 1.61 3.01 -0.41 -4.99 119.74 122.32 1p8x s LYS 515 Ca 0.00 1.29 -0.12 0.00 -1.01 0.00 0.00 55.97 56.13 1p8x s LYS 515 Cb 0.00 -2.01 -0.02 0.00 -1.01 0.00 0.00 37.83 34.79 1p8x s LYS 515 CO 0.00 -0.92 1.05 -1.25 0.51 0.00 0.00 175.35 174.74 1p8x s PRO 516 N -4.00 3.25 -0.18 -1.68 0.04 -1.26 -4.77 135.00 126.39 1p8x s PRO 516 Ca 0.65 0.91 -0.25 0.00 0.04 0.00 0.00 61.00 62.35 1p8x s PRO 516 Cb -0.18 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 1p8x s PRO 516 CO 0.37 -0.85 0.83 1.41 0.04 0.00 0.00 177.00 178.80 1p8x s MET 517 N -4.95 4.28 -0.21 4.56 1.75 0.04 -4.84 119.30 119.93 1p8x s MET 517 Ca 0.58 1.01 -0.08 0.00 -1.25 0.00 0.00 55.69 55.95 1p8x s MET 517 Cb -0.13 -3.59 -0.04 0.00 2.84 0.00 0.00 34.83 33.92 1p8x s MET 517 CO 0.52 -0.36 0.08 0.42 -0.65 0.00 0.00 175.02 175.02 1p8x s ILE 518 N 2.27 4.72 -0.29 10.11 1.01 -0.33 -0.42 121.20 138.28 1p8x s ILE 518 Ca 0.38 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 61.00 1p8x s ILE 518 Cb -0.16 -3.16 0.07 0.00 0.01 0.00 0.00 42.46 39.21 1p8x s ILE 518 CO 0.11 0.41 -0.05 -0.63 0.00 0.00 0.00 174.94 174.78 1p8x s ILE 519 N 0.84 2.36 0.52 2.92 -1.09 0.01 -0.37 121.20 126.38 1p8x s ILE 519 Ca 0.04 -1.74 -0.13 0.00 -2.23 0.00 0.00 60.65 56.59 1p8x s ILE 519 Cb -0.13 -2.45 -0.06 0.00 -1.58 0.00 0.00 42.46 38.23 1p8x s ILE 519 CO 0.02 -0.16 0.94 -0.31 -1.23 0.00 0.00 174.94 174.20 1p8x s TYR 520 N 1.09 3.51 0.61 3.97 4.12 0.57 -1.40 117.35 129.82 1p8x s TYR 520 Ca -0.04 1.29 -0.13 0.00 0.02 0.00 0.00 57.07 58.20 1p8x s TYR 520 Cb -0.20 -2.67 -0.03 0.00 -1.52 0.00 0.00 41.96 37.54 1p8x s TYR 520 CO -0.05 -0.40 1.03 0.15 0.02 0.00 0.00 175.55 176.30 1p8x s LYS 521 N -4.39 3.43 3.01 -0.62 1.02 -1.26 -0.90 119.74 120.03 1p8x s LYS 521 Ca 0.55 0.95 0.00 0.00 0.02 0.00 0.00 55.97 57.49 1p8x s LYS 521 Cb -0.10 -2.06 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 1p8x s LYS 521 CO 0.39 -0.70 0.00 0.41 -0.92 0.00 0.00 175.35 174.52 1p8x n GLY 522 N -1.90 -0.35 0.00 -3.33 0.00 -1.26 -4.77 105.19 93.58 1p8x n GLY 522 Ca 0.07 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1p8x n GLY 522 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8x n GLY 523 N 0.00 0.13 3.77 -0.02 0.00 -1.26 -0.95 105.19 106.86 1p8x n GLY 523 Ca 0.00 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 1p8x n GLY 523 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1p8x s THR 524 N -3.96 1.19 0.00 2.61 -1.32 -1.26 -0.06 115.64 112.85 1p8x s THR 524 Ca 0.00 -1.97 0.00 0.00 -1.21 0.00 0.00 61.69 58.51 1p8x s THR 524 Cb 0.00 -2.16 0.00 0.00 -1.51 0.00 0.00 72.50 68.83 1p8x s THR 524 CO 0.00 0.00 0.00 -1.54 -2.21 0.00 0.00 174.62 170.87 1p8x n SER 525 N -1.29 0.00 0.26 8.08 3.41 -1.17 -4.86 113.62 118.04 1p8x n SER 525 Ca -0.18 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.32 1p8x n SER 525 Cb 0.67 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.57 1p8x n SER 525 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1p8x h ARG 526 N 0.00 -0.66 -2.62 4.33 3.08 -1.98 1.40 114.38 117.93 1p8x h ARG 526 Ca 0.00 0.05 -0.47 0.00 0.07 0.00 0.00 59.98 59.63 1p8x h ARG 526 Cb 0.00 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1p8x h ARG 526 CO 0.00 -0.44 2.14 -0.85 -1.07 0.00 0.00 179.97 179.75 1p8x n GLU 527 N -4.33 2.97 0.00 0.04 0.28 -1.26 -3.63 120.64 114.71 1p8x n GLU 527 Ca -0.09 -1.69 0.00 0.00 -0.16 0.00 0.00 57.16 55.22 1p8x n GLU 527 Cb 0.27 -2.47 0.00 0.00 1.43 0.00 0.00 31.44 30.67 1p8x n GLU 527 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1p8x n GLY 528 N 3.16 0.73 7.00 -1.84 0.00 -1.22 -5.15 105.19 107.86 1p8x n GLY 528 Ca 0.63 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1p8x n GLY 528 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8x n GLY 529 N 0.00 -1.47 3.66 -0.02 0.00 0.48 -4.73 105.19 103.12 1p8x n GLY 529 Ca 0.00 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 1p8x n GLY 529 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1p8x s GLN 530 N 0.00 4.17 0.52 1.61 2.00 -1.26 -3.06 119.66 123.64 1p8x s GLN 530 Ca 0.00 2.39 -0.20 0.00 -2.00 0.00 0.00 55.36 55.55 1p8x s GLN 530 Cb 0.00 -4.01 -0.07 0.00 0.80 0.00 0.00 33.01 29.73 1p8x s GLN 530 CO 0.00 -0.88 1.10 0.95 -0.50 0.00 0.00 175.29 175.96 1p8x s THR 531 N 4.05 3.34 0.18 -0.34 -4.23 0.92 -4.98 115.64 114.58 1p8x s THR 531 Ca 0.80 0.84 -0.07 0.00 -1.18 0.00 0.00 61.69 62.08 1p8x s THR 531 Cb -0.38 -3.34 -0.06 0.00 1.34 0.00 0.00 72.50 70.05 1p8x s THR 531 CO 0.35 -0.17 0.45 0.00 -0.54 0.00 0.00 174.62 174.71 1p8x s ALA 532 N -1.82 3.69 0.27 3.99 0.00 -1.26 -4.74 121.76 121.89 1p8x s ALA 532 Ca 0.71 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.94 1p8x s ALA 532 Cb -0.22 -2.26 -0.10 0.00 0.00 0.00 0.00 23.12 20.54 1p8x s ALA 532 CO 0.25 0.60 1.43 -2.14 0.00 0.00 0.00 175.76 175.90 1p8x s PRO 533 N -2.71 4.27 0.72 0.00 0.02 -1.26 -5.00 135.00 131.04 1p8x s PRO 533 Ca 0.44 2.31 -0.15 0.00 0.02 0.00 0.00 61.00 63.61 1p8x s PRO 533 Cb -0.12 -3.10 0.03 0.00 0.02 0.00 0.00 34.50 31.34 1p8x s PRO 533 CO 0.23 -0.40 1.23 0.00 -0.33 0.00 0.00 177.00 177.72 1p8x s ALA 534 N -0.19 2.13 0.19 -1.55 0.00 -1.26 -4.91 121.76 116.17 1p8x s ALA 534 Ca 0.58 0.95 0.11 0.00 0.00 0.00 0.00 51.96 53.60 1p8x s ALA 534 Cb -0.42 -3.49 0.27 0.00 0.00 0.00 0.00 23.12 19.48 1p8x s ALA 534 CO 0.45 -1.87 1.55 0.66 0.00 0.00 0.00 175.76 176.55 1p8x h SER 535 N -0.19 0.00 -3.16 0.00 4.64 -1.94 -3.41 113.55 109.49 1p8x h SER 535 Ca -0.48 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.17 1p8x h SER 535 Cb 1.30 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 63.05 1p8x h SER 535 CO 0.50 0.65 -0.87 -0.89 -0.87 0.00 0.00 176.83 175.35 1p8x s THR 536 N -3.37 2.06 0.05 2.95 2.01 -1.26 -3.40 115.64 114.68 1p8x s THR 536 Ca -0.00 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.08 1p8x s THR 536 Cb 0.11 -1.83 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 1p8x s THR 536 CO 0.76 0.55 -0.14 0.00 -0.69 0.00 0.00 174.62 175.09 1p8x s ARG 537 N 0.95 0.89 -0.00 4.92 1.70 0.77 -4.75 118.95 123.42 1p8x s ARG 537 Ca -0.04 -0.85 0.07 0.00 -0.47 0.00 0.00 55.73 54.44 1p8x s ARG 537 Cb -0.15 -0.90 -0.02 0.00 -0.57 0.00 0.00 34.95 33.31 1p8x s ARG 537 CO -0.05 0.21 -0.22 -1.17 -1.08 0.00 0.00 175.30 173.00 1p8x s LEU 538 N -1.41 2.07 -0.06 -1.89 2.96 -1.25 -0.26 118.68 118.83 1p8x s LEU 538 Ca 0.00 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1p8x s LEU 538 Cb -0.09 -1.10 0.01 0.00 0.50 0.00 0.00 46.19 45.52 1p8x s LEU 538 CO 0.02 0.25 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.82 1p8x s PHE 539 N -0.56 1.40 -0.22 5.38 0.40 0.17 0.04 117.98 124.58 1p8x s PHE 539 Ca 0.08 -0.50 -0.16 0.00 -0.60 0.00 0.00 56.93 55.75 1p8x s PHE 539 Cb -0.08 -1.03 -0.04 0.00 0.51 0.00 0.00 43.02 42.38 1p8x s PHE 539 CO -0.00 -0.26 0.42 -1.14 0.70 0.00 0.00 175.22 174.94 1p8x s GLN 540 N 0.63 4.14 -0.32 0.44 0.74 -0.03 -1.70 119.66 123.56 1p8x s GLN 540 Ca -0.13 0.21 -0.07 0.00 0.05 0.00 0.00 55.36 55.42 1p8x s GLN 540 Cb -0.15 -3.57 0.02 0.00 1.10 0.00 0.00 33.01 30.41 1p8x s GLN 540 CO 0.03 -0.13 0.09 0.08 -0.55 0.00 0.00 175.29 174.82 1p8x s VAL 541 N 1.60 3.89 -0.03 1.34 1.01 0.14 -0.20 120.40 128.15 1p8x s VAL 541 Ca 0.19 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.32 1p8x s VAL 541 Cb -0.15 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 1p8x s VAL 541 CO 0.09 -0.04 -0.16 -0.60 0.00 0.00 0.00 175.10 174.39 1p8x s ARG 542 N 1.46 1.55 0.12 2.72 3.52 0.39 -3.05 118.95 125.65 1p8x s ARG 542 Ca 0.01 -0.55 0.07 0.00 -0.13 0.00 0.00 55.73 55.12 1p8x s ARG 542 Cb -0.18 -1.39 -0.04 0.00 -1.56 0.00 0.00 34.95 31.78 1p8x s ARG 542 CO 0.03 0.24 -0.06 0.00 -0.81 0.00 0.00 175.30 174.69 1p8x s ALA 543 N -0.02 3.06 0.46 6.12 0.00 -1.26 -0.82 121.76 129.30 1p8x s ALA 543 Ca -0.02 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1p8x s ALA 543 Cb -0.10 -0.96 0.05 0.00 0.00 0.00 0.00 23.12 22.11 1p8x s ALA 543 CO 0.01 0.61 0.32 0.27 0.00 0.00 0.00 175.76 176.97 1p8x n ASN 544 N 0.48 0.47 -0.29 0.00 0.23 0.02 -4.89 115.26 111.28 1p8x n ASN 544 Ca -0.12 -1.39 0.04 0.00 -0.53 0.00 0.00 54.58 52.58 1p8x n ASN 544 Cb 0.53 -0.20 0.24 0.00 -2.08 0.00 0.00 39.78 38.27 1p8x n ASN 544 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1p8x h SER 545 N -0.17 0.90 0.40 0.53 0.02 -1.98 -0.24 113.55 113.00 1p8x h SER 545 Ca -0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1p8x h SER 545 Cb 0.40 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1p8x h SER 545 CO 0.12 0.59 0.00 0.00 -1.14 0.00 0.00 176.83 176.39 1p8x n ALA 546 N -2.40 2.14 -0.51 3.77 0.00 -1.26 -4.87 120.51 117.38 1p8x n ALA 546 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1p8x n ALA 546 Cb 0.18 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1p8x n ALA 546 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p8x n GLY 547 N 0.57 0.75 3.72 0.00 0.00 -0.10 -5.02 105.19 105.11 1p8x n GLY 547 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1p8x n GLY 547 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p8x s ALA 548 N -2.59 3.50 -0.00 4.61 0.00 -1.26 -4.73 121.76 121.28 1p8x s ALA 548 Ca 0.00 1.02 0.07 0.00 0.00 0.00 0.00 51.96 53.05 1p8x s ALA 548 Cb 0.00 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 1p8x s ALA 548 CO 0.00 -0.52 -0.22 0.99 0.00 0.00 0.00 175.76 176.02 1p8x s THR 549 N 0.77 2.44 -0.03 0.00 2.01 -1.26 -0.80 115.64 118.77 1p8x s THR 549 Ca 0.60 -1.10 0.05 0.00 0.31 0.00 0.00 61.69 61.56 1p8x s THR 549 Cb -0.34 -1.93 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 1p8x s THR 549 CO 0.32 0.49 -0.18 -0.13 -0.69 0.00 0.00 174.62 174.43 1p8x s ARG 550 N -0.93 1.63 -0.33 4.92 0.52 -0.00 -0.78 118.95 123.97 1p8x s ARG 550 Ca 0.12 -0.65 -0.00 0.00 -0.52 0.00 0.00 55.73 54.67 1p8x s ARG 550 Cb -0.10 -1.51 0.08 0.00 0.52 0.00 0.00 34.95 33.94 1p8x s ARG 550 CO 0.01 0.35 0.06 0.00 0.02 0.00 0.00 175.30 175.73 1p8x s ALA 551 N -0.26 2.90 -0.25 2.13 0.00 0.44 -0.46 121.76 126.26 1p8x s ALA 551 Ca 0.03 -2.13 -0.06 0.00 0.00 0.00 0.00 51.96 49.80 1p8x s ALA 551 Cb -0.09 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.97 1p8x s ALA 551 CO 0.00 -1.49 0.03 0.08 0.00 0.00 0.00 175.76 174.38 1p8x s VAL 552 N 1.14 3.95 0.16 0.00 1.01 0.72 -0.81 120.40 126.56 1p8x s VAL 552 Ca 0.01 -0.36 -0.31 0.00 0.00 0.00 0.00 61.98 61.32 1p8x s VAL 552 Cb -0.21 -2.86 -0.09 0.00 0.00 0.00 0.00 36.38 33.22 1p8x s VAL 552 CO -0.04 0.32 1.49 -0.70 0.00 0.00 0.00 175.10 176.18 1p8x s GLU 553 N 1.55 4.26 0.45 2.72 2.12 -0.50 -0.85 118.70 128.46 1p8x s GLU 553 Ca 0.06 2.26 0.03 0.00 0.36 0.00 0.00 54.97 57.67 1p8x s GLU 553 Cb -0.15 -3.18 -0.01 0.00 0.26 0.00 0.00 34.13 31.04 1p8x s GLU 553 CO 0.01 -0.53 0.10 0.14 -0.54 0.00 0.00 175.26 174.45 1p8x s VAL 554 N 1.00 0.66 0.09 3.70 -7.23 0.11 -4.67 120.40 114.05 1p8x s VAL 554 Ca 0.67 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.53 1p8x s VAL 554 Cb -0.41 -2.21 -0.07 0.00 0.56 0.00 0.00 36.38 34.24 1p8x s VAL 554 CO 0.32 0.00 1.39 -0.22 -0.31 0.00 0.00 175.10 176.28 1p8x s LEU 555 N -3.71 4.36 -1.18 1.32 2.96 -1.26 -3.87 118.68 117.30 1p8x s LEU 555 Ca 0.16 2.27 -0.21 0.00 -0.22 0.00 0.00 54.13 56.14 1p8x s LEU 555 Cb 0.01 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 1p8x s LEU 555 CO 0.11 -0.66 1.90 -0.81 -1.32 0.00 0.00 176.35 175.56 1p8x n PRO 556 N 4.27 2.16 -4.11 0.98 -0.04 -1.26 -4.72 135.00 132.28 1p8x n PRO 556 Ca 0.12 -2.64 -0.13 0.00 -0.04 0.00 0.00 63.50 60.81 1p8x n PRO 556 Cb 0.43 -3.51 -0.11 0.00 -0.04 0.00 0.00 33.50 30.26 1p8x n PRO 556 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1p8x s LYS 557 N 5.34 0.66 0.31 0.54 1.02 -1.26 -4.73 119.74 121.61 1p8x s LYS 557 Ca 0.61 -0.93 -0.01 0.00 0.02 0.00 0.00 55.97 55.66 1p8x s LYS 557 Cb 0.04 -0.37 0.49 0.00 -0.52 0.00 0.00 37.83 37.48 1p8x s LYS 557 CO 0.10 0.06 1.96 0.00 -0.92 0.00 0.00 175.35 176.55 1p8x h ALA 558 N 4.08 1.46 0.00 5.17 0.00 -1.78 -2.13 119.26 126.06 1p8x h ALA 558 Ca -0.36 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1p8x h ALA 558 Cb 1.19 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1p8x h ALA 558 CO 0.46 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.61 1p8x n GLY 559 N -1.41 -0.89 0.07 0.00 0.00 -1.26 -1.40 105.19 100.30 1p8x n GLY 559 Ca 0.10 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.44 1p8x n GLY 559 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p8x n ALA 560 N -1.78 2.71 -1.59 4.61 0.00 -0.80 -4.25 120.51 119.41 1p8x n ALA 560 Ca -0.01 -0.17 -0.36 0.00 0.00 0.00 0.00 53.44 52.90 1p8x n ALA 560 Cb 0.05 -1.29 0.07 0.00 0.00 0.00 0.00 19.45 18.28 1p8x n ALA 560 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1p8x s LEU 561 N -4.18 3.50 -0.07 0.00 1.43 -0.49 -4.85 118.68 114.01 1p8x s LEU 561 Ca 0.09 2.46 -0.03 0.00 -1.03 0.00 0.00 54.13 55.62 1p8x s LEU 561 Cb 0.14 -4.60 0.04 0.00 0.03 0.00 0.00 46.19 41.80 1p8x s LEU 561 CO 0.66 -2.00 0.14 0.21 0.23 0.00 0.00 176.35 175.59 1p8x s ASN 562 N -1.69 0.81 0.63 2.29 3.84 -1.26 -1.59 114.94 117.96 1p8x s ASN 562 Ca 0.78 0.28 0.42 0.00 0.21 0.00 0.00 52.86 54.55 1p8x s ASN 562 Cb -0.33 0.19 2.23 0.00 -0.55 0.00 0.00 41.25 42.79 1p8x s ASN 562 CO 0.40 -0.24 2.28 0.28 -2.79 0.00 0.00 177.10 177.03 1p8x h SER 563 N 8.35 0.00 1.71 -4.21 0.02 -1.69 -2.06 113.55 115.67 1p8x h SER 563 Ca -0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1p8x h SER 563 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1p8x h SER 563 CO 0.15 0.00 -0.03 -1.13 -1.14 0.00 0.00 176.83 174.68 1p8x h ASN 564 N 0.00 0.00 -1.46 3.07 -0.73 -1.83 0.13 115.58 114.77 1p8x h ASN 564 Ca 0.00 -0.00 -0.63 0.00 1.87 0.00 0.00 56.30 57.54 1p8x h ASN 564 Cb 0.07 0.00 -0.13 0.00 0.27 0.00 0.00 38.32 38.53 1p8x h ASN 564 CO 0.00 0.00 -0.54 -1.81 -0.37 0.00 0.00 177.43 174.71 1p8x s ASP 565 N -5.35 3.63 0.16 1.15 1.01 -0.78 -2.66 116.67 113.83 1p8x s ASP 565 Ca 0.09 -1.59 0.04 0.00 0.71 0.00 0.00 52.55 51.79 1p8x s ASP 565 Cb 0.09 0.31 -0.04 0.00 1.01 0.00 0.00 42.92 44.30 1p8x s ASP 565 CO 0.64 -0.78 0.22 0.00 0.21 0.00 0.00 175.17 175.45 1p8x s ALA 566 N -2.96 3.78 0.03 5.23 0.00 -1.17 -1.59 121.76 125.08 1p8x s ALA 566 Ca 0.17 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1p8x s ALA 566 Cb 0.04 -1.58 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 1p8x s ALA 566 CO 0.09 0.51 -0.07 -0.06 0.00 0.00 0.00 175.76 176.22 1p8x s PHE 567 N -1.76 0.64 -0.13 0.00 0.08 0.69 -0.68 117.98 116.82 1p8x s PHE 567 Ca 0.33 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.99 1p8x s PHE 567 Cb -0.10 -0.39 0.00 0.00 -0.57 0.00 0.00 43.02 41.96 1p8x s PHE 567 CO 0.26 -0.07 -0.20 0.08 -0.10 0.00 0.00 175.22 175.19 1p8x s VAL 568 N -1.12 2.33 -0.20 -0.44 1.01 -0.69 -0.55 120.40 120.74 1p8x s VAL 568 Ca -0.07 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.02 1p8x s VAL 568 Cb -0.08 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.39 1p8x s VAL 568 CO 0.00 0.54 -0.17 -0.22 0.00 0.00 0.00 175.10 175.25 1p8x s LEU 569 N 0.60 2.47 -0.12 3.92 2.96 -0.52 -0.65 118.68 127.34 1p8x s LEU 569 Ca -0.11 -0.85 0.00 0.00 -0.22 0.00 0.00 54.13 52.95 1p8x s LEU 569 Cb -0.16 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 1p8x s LEU 569 CO 0.03 -0.06 -0.12 -0.75 -1.32 0.00 0.00 176.35 174.13 1p8x s LYS 570 N 1.25 3.25 0.28 1.98 2.20 0.64 -0.93 119.74 128.40 1p8x s LYS 570 Ca 0.01 -0.67 0.12 0.00 -0.36 0.00 0.00 55.97 55.07 1p8x s LYS 570 Cb -0.15 -2.62 -0.05 0.00 -1.51 0.00 0.00 37.83 33.51 1p8x s LYS 570 CO -0.11 0.30 -0.17 0.99 -0.36 0.00 0.00 175.35 176.01 1p8x s THR 571 N 0.13 2.61 0.53 3.43 2.01 0.18 -0.16 115.64 124.38 1p8x s THR 571 Ca -0.06 -2.33 0.24 0.00 0.31 0.00 0.00 61.69 59.85 1p8x s THR 571 Cb -0.15 -2.39 0.38 0.00 0.01 0.00 0.00 72.50 70.35 1p8x s THR 571 CO 0.04 -0.39 2.02 -0.65 -0.69 0.00 0.00 174.62 174.96 1p8x h PRO 572 N 2.21 0.00 0.00 4.92 0.11 -1.98 -3.16 132.00 134.10 1p8x h PRO 572 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1p8x h PRO 572 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1p8x h PRO 572 CO 0.60 0.00 -0.80 -1.13 -0.21 0.00 0.00 178.00 176.46 1p8x n SER 573 N -4.34 3.00 -4.24 -2.05 3.41 -1.26 -5.08 113.62 103.06 1p8x n SER 573 Ca 0.07 -0.18 -0.14 0.00 -0.26 0.00 0.00 58.87 58.37 1p8x n SER 573 Cb 0.52 1.08 -0.10 0.00 -0.26 0.00 0.00 64.21 65.45 1p8x n SER 573 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p8x s ALA 574 N -1.89 1.37 -0.14 7.33 0.00 -1.20 -5.16 121.76 122.08 1p8x s ALA 574 Ca -0.00 -1.60 -0.11 0.00 0.00 0.00 0.00 51.96 50.24 1p8x s ALA 574 Cb 0.02 0.56 0.04 0.00 0.00 0.00 0.00 23.12 23.74 1p8x s ALA 574 CO 0.11 -0.32 0.37 0.00 0.00 0.00 0.00 175.76 175.92 1p8x s ALA 575 N -3.65 -0.92 0.07 0.00 0.00 -1.26 0.51 121.76 116.50 1p8x s ALA 575 Ca 0.24 1.17 0.06 0.00 0.00 0.00 0.00 51.96 53.43 1p8x s ALA 575 Cb 0.06 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 1p8x s ALA 575 CO 0.04 -0.20 -0.15 0.71 0.00 0.00 0.00 175.76 176.16 1p8x s TYR 576 N 0.59 1.32 -0.35 0.00 2.02 -0.11 -1.63 117.35 119.19 1p8x s TYR 576 Ca -0.03 -0.43 0.04 0.00 -0.37 0.00 0.00 57.07 56.28 1p8x s TYR 576 Cb -0.05 -0.75 0.10 0.00 -0.40 0.00 0.00 41.96 40.86 1p8x s TYR 576 CO -0.04 0.08 0.07 -1.17 -1.57 0.00 0.00 175.55 172.92 1p8x s LEU 577 N -1.61 4.51 -0.16 -1.29 0.20 -0.98 -1.44 118.68 117.91 1p8x s LEU 577 Ca 0.00 -2.19 -0.17 0.00 0.69 0.00 0.00 54.13 52.46 1p8x s LEU 577 Cb -0.09 -1.56 -0.04 0.00 -0.43 0.00 0.00 46.19 44.06 1p8x s LEU 577 CO 0.02 -0.37 0.45 0.86 -0.29 0.00 0.00 176.35 177.03 1p8x s TRP 578 N 0.86 3.45 -0.40 5.38 -0.00 0.29 -1.36 118.94 127.15 1p8x s TRP 578 Ca 0.11 0.78 -0.09 0.00 -0.00 0.00 0.00 56.10 56.91 1p8x s TRP 578 Cb -0.19 -2.55 0.07 0.00 -0.00 0.00 0.00 33.47 30.79 1p8x s TRP 578 CO -0.09 0.08 0.23 0.08 -0.00 0.00 0.00 176.95 177.25 1p8x s VAL 579 N 0.97 4.14 0.57 5.86 1.01 -0.02 -0.22 120.40 132.71 1p8x s VAL 579 Ca 0.23 -1.33 -0.20 0.00 0.00 0.00 0.00 61.98 60.68 1p8x s VAL 579 Cb -0.15 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1p8x s VAL 579 CO 0.09 -0.44 1.24 -0.83 0.00 0.00 0.00 175.10 175.17 1p8x s GLY 580 N 1.93 2.79 0.37 4.51 0.00 -0.62 -1.91 107.32 114.39 1p8x s GLY 580 Ca 0.02 1.10 0.11 0.00 0.00 0.00 0.00 44.72 45.95 1p8x s GLY 580 CO 0.02 1.53 1.85 -0.84 0.00 0.00 0.00 173.10 175.66 1p8x h THR 581 N 1.14 0.76 -0.10 0.90 2.02 -1.79 0.08 112.91 115.92 1p8x h THR 581 Ca -0.50 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1p8x h THR 581 Cb 1.29 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1p8x h THR 581 CO 0.56 0.11 0.00 0.61 0.37 0.00 0.00 175.52 177.17 1p8x n GLY 582 N -1.44 0.08 3.76 2.16 0.00 0.01 -4.48 105.19 105.29 1p8x n GLY 582 Ca 0.19 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1p8x n GLY 582 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p8x s ALA 583 N -1.88 3.52 0.74 4.61 0.00 0.01 -4.65 121.76 124.11 1p8x s ALA 583 Ca 0.34 1.26 -0.06 0.00 0.00 0.00 0.00 51.96 53.51 1p8x s ALA 583 Cb 0.19 -3.49 0.10 0.00 0.00 0.00 0.00 23.12 19.91 1p8x s ALA 583 CO 0.29 -0.65 1.04 -1.54 0.00 0.00 0.00 175.76 174.90 1p8x s SER 584 N -0.32 4.46 0.15 0.00 1.04 -1.26 -4.95 113.70 112.83 1p8x s SER 584 Ca 0.51 0.20 -0.09 0.00 0.48 0.00 0.00 55.95 57.05 1p8x s SER 584 Cb -0.40 -0.71 -0.01 0.00 0.10 0.00 0.00 66.02 65.01 1p8x s SER 584 CO 0.51 -1.81 1.48 -0.33 0.98 0.00 0.00 173.24 174.07 1p8x h GLU 585 N -0.71 0.86 0.00 4.02 4.39 -1.99 -2.23 114.58 118.92 1p8x h GLU 585 Ca -0.42 -0.47 -0.00 0.00 0.34 0.00 0.00 59.36 58.80 1p8x h GLU 585 Cb 1.29 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1p8x h GLU 585 CO 0.51 1.11 -0.01 0.00 -1.16 0.00 0.00 179.01 179.47 1p8x h ALA 586 N 0.81 1.88 0.09 3.43 0.00 -1.94 0.74 119.26 124.26 1p8x h ALA 586 Ca 0.05 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.69 1p8x h ALA 586 Cb 1.01 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1p8x h ALA 586 CO 0.10 0.01 -1.15 0.93 0.00 0.00 0.00 179.25 179.14 1p8x h GLU 587 N 0.00 0.40 -0.36 0.00 5.08 -1.81 -1.20 114.58 116.69 1p8x h GLU 587 Ca -0.00 -0.55 -0.07 0.00 -1.00 0.00 0.00 59.36 57.74 1p8x h GLU 587 Cb 0.01 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1p8x h GLU 587 CO 0.00 1.22 -0.07 0.87 -1.00 0.00 0.00 179.01 180.03 1p8x h LYS 588 N 0.17 0.68 -0.41 2.33 1.57 -0.71 -0.79 116.57 119.41 1p8x h LYS 588 Ca -0.13 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.33 1p8x h LYS 588 Cb 1.83 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 34.08 1p8x h LYS 588 CO 0.20 0.83 -0.03 1.15 -0.57 0.00 0.00 179.45 181.03 1p8x h THR 589 N 0.47 1.23 -0.34 -0.16 2.02 -0.93 -2.08 112.91 113.13 1p8x h THR 589 Ca 0.09 -0.97 -0.07 0.00 0.77 0.00 0.00 66.41 66.23 1p8x h THR 589 Cb 0.56 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1p8x h THR 589 CO 0.03 0.34 -0.05 1.23 0.37 0.00 0.00 175.52 177.44 1p8x h GLY 590 N 0.94 0.69 0.85 2.16 0.00 -0.88 -1.69 103.07 105.14 1p8x h GLY 590 Ca 0.13 -0.55 0.04 0.00 0.00 0.00 0.00 47.33 46.95 1p8x h GLY 590 CO 0.02 0.50 0.66 0.00 0.00 0.00 0.00 176.54 177.72 1p8x h ALA 591 N 0.83 1.35 -0.64 3.60 0.00 -0.99 -1.03 119.26 122.38 1p8x h ALA 591 Ca 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1p8x h ALA 591 Cb 0.54 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1p8x h ALA 591 CO 0.03 0.54 0.26 1.96 0.00 0.00 0.00 179.25 182.04 1p8x h GLN 592 N 1.26 0.95 -0.63 0.00 4.20 -1.03 -1.00 115.11 118.86 1p8x h GLN 592 Ca 0.41 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.89 1p8x h GLN 592 Cb 0.03 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1p8x h GLN 592 CO -0.13 0.80 0.15 0.93 -0.67 0.00 0.00 178.83 179.90 1p8x h GLU 593 N 0.89 1.00 -0.68 1.46 4.39 -0.61 -1.92 114.58 119.12 1p8x h GLU 593 Ca 0.21 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 1p8x h GLU 593 Cb 0.20 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1p8x h GLU 593 CO -0.02 0.89 0.21 1.25 -1.16 0.00 0.00 179.01 180.19 1p8x h LEU 594 N 0.95 0.98 -1.44 1.33 5.85 -0.82 -1.81 115.31 120.36 1p8x h LEU 594 Ca 0.20 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1p8x h LEU 594 Cb 0.34 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1p8x h LEU 594 CO 0.00 0.93 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.71 1p8x h LEU 595 N 0.98 0.05 -0.26 2.25 3.38 -0.88 -0.30 115.31 120.54 1p8x h LEU 595 Ca 0.22 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1p8x h LEU 595 Cb 0.29 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1p8x h LEU 595 CO -0.01 0.30 -0.04 -0.09 0.09 0.00 0.00 178.44 178.70 1p8x h ARG 596 N 0.05 0.47 -0.39 1.13 2.43 -0.76 -1.40 114.38 115.92 1p8x h ARG 596 Ca 0.01 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 58.93 1p8x h ARG 596 Cb 0.46 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1p8x h ARG 596 CO 0.03 0.67 -0.09 0.28 -1.51 0.00 0.00 179.97 179.36 1p8x h VAL 597 N 0.23 1.24 0.00 0.20 2.07 -0.75 -1.42 116.25 117.83 1p8x h VAL 597 Ca 0.07 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1p8x h VAL 597 Cb 0.48 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1p8x h VAL 597 CO 0.02 0.36 0.00 0.18 0.02 0.00 0.00 177.57 178.15 1p8x n LEU 598 N -4.19 0.00 -3.61 2.57 4.77 -0.18 -4.91 117.00 111.46 1p8x n LEU 598 Ca 0.01 0.17 -0.21 0.00 -0.03 0.00 0.00 56.01 55.95 1p8x n LEU 598 Cb 0.33 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1p8x n LEU 598 CO 0.42 -0.04 -0.04 0.54 -1.33 0.00 0.00 177.39 176.94 1p8x n ARG 599 N -1.17 -4.20 -3.74 3.23 5.12 -0.53 -5.01 116.66 110.36 1p8x n ARG 599 Ca 0.14 0.65 -0.12 0.00 -1.93 0.00 0.00 57.85 56.59 1p8x n ARG 599 Cb 0.15 -5.19 -0.12 0.00 -1.16 0.00 0.00 32.46 26.14 1p8x n ARG 599 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1p8x s ALA 600 N -3.57 -0.68 0.20 7.54 0.00 -0.76 -5.05 121.76 119.43 1p8x s ALA 600 Ca 0.13 1.00 -0.26 0.00 0.00 0.00 0.00 51.96 52.83 1p8x s ALA 600 Cb -0.03 -0.61 -0.08 0.00 0.00 0.00 0.00 23.12 22.39 1p8x s ALA 600 CO 0.80 -0.18 0.82 -0.65 0.00 0.00 0.00 175.76 176.55 1p8x s GLN 601 N 0.88 4.61 0.42 0.00 1.11 -1.26 -4.59 119.66 120.83 1p8x s GLN 601 Ca -0.06 1.22 0.07 0.00 0.01 0.00 0.00 55.36 56.60 1p8x s GLN 601 Cb -0.07 -3.20 -0.04 0.00 -1.01 0.00 0.00 33.01 28.68 1p8x s GLN 601 CO -0.06 0.53 0.23 -1.25 0.01 0.00 0.00 175.29 174.74 1p8x s PRO 602 N -1.28 2.29 -0.16 2.91 0.04 -1.26 -4.47 135.00 133.06 1p8x s PRO 602 Ca 0.38 -1.80 -0.09 0.00 0.04 0.00 0.00 61.00 59.54 1p8x s PRO 602 Cb -0.23 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 1p8x s PRO 602 CO 0.27 -0.16 0.15 0.14 0.04 0.00 0.00 177.00 177.44 1p8x s VAL 603 N -2.59 5.45 0.25 -0.36 -7.23 -0.65 -4.93 120.40 110.34 1p8x s VAL 603 Ca 0.42 0.22 -0.30 0.00 -1.81 0.00 0.00 61.98 60.51 1p8x s VAL 603 Cb 0.02 -3.45 -0.09 0.00 0.56 0.00 0.00 36.38 33.43 1p8x s VAL 603 CO 0.23 0.53 1.02 -1.10 -0.31 0.00 0.00 175.10 175.48 1p8x s GLN 604 N -0.34 4.73 -0.04 4.82 -1.52 -1.26 -2.32 119.66 123.74 1p8x s GLN 604 Ca 0.12 1.65 -0.01 0.00 -1.95 0.00 0.00 55.36 55.16 1p8x s GLN 604 Cb -0.12 -3.24 0.03 0.00 -0.22 0.00 0.00 33.01 29.46 1p8x s GLN 604 CO 0.01 0.34 0.06 0.08 -0.25 0.00 0.00 175.29 175.53 1p8x s VAL 605 N -1.05 -0.10 0.02 1.09 1.01 -0.47 -4.93 120.40 115.98 1p8x s VAL 605 Ca 0.43 0.33 -0.17 0.00 0.00 0.00 0.00 61.98 62.57 1p8x s VAL 605 Cb -0.29 -0.14 -0.06 0.00 0.00 0.00 0.00 36.38 35.89 1p8x s VAL 605 CO 0.36 0.14 0.47 0.00 0.00 0.00 0.00 175.10 176.07 1p8x s ALA 606 N 1.69 3.64 0.24 5.51 0.00 -1.26 -0.84 121.76 130.74 1p8x s ALA 606 Ca -0.01 -0.12 -0.31 0.00 0.00 0.00 0.00 51.96 51.51 1p8x s ALA 606 Cb -0.12 -2.50 -0.13 0.00 0.00 0.00 0.00 23.12 20.37 1p8x s ALA 606 CO -0.03 0.42 1.46 -1.91 0.00 0.00 0.00 175.76 175.69 1p8x n GLU 607 N 1.92 2.16 0.00 0.00 2.13 -0.81 -1.70 120.64 124.34 1p8x n GLU 607 Ca -0.12 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.47 1p8x n GLU 607 Cb 0.52 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.76 1p8x n GLU 607 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1p8x n GLY 608 N 2.33 3.33 2.54 8.31 0.00 -1.26 -4.88 105.19 115.57 1p8x n GLY 608 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 1p8x n GLY 608 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p8x n SER 609 N 0.00 2.31 -4.81 1.61 3.41 -0.69 -5.09 113.62 110.36 1p8x n SER 609 Ca 0.00 -3.11 -0.37 0.00 -0.26 0.00 0.00 58.87 55.13 1p8x n SER 609 Cb 0.00 -0.54 -0.06 0.00 -0.26 0.00 0.00 64.21 63.35 1p8x n SER 609 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1p8x s GLU 610 N -3.07 4.28 0.92 4.33 1.03 -1.26 -4.60 118.70 120.33 1p8x s GLU 610 Ca 0.37 0.86 -0.11 0.00 0.03 0.00 0.00 54.97 56.12 1p8x s GLU 610 Cb 0.40 -3.05 0.14 0.00 -0.80 0.00 0.00 34.13 30.82 1p8x s GLU 610 CO -0.06 0.50 1.10 -2.14 -1.33 0.00 0.00 175.26 173.33 1p8x s PRO 611 N -1.59 1.07 0.51 -4.83 0.02 -1.26 -4.89 135.00 124.04 1p8x s PRO 611 Ca 0.38 1.07 0.33 0.00 0.02 0.00 0.00 61.00 62.80 1p8x s PRO 611 Cb -0.19 -1.77 1.46 0.00 0.02 0.00 0.00 34.50 34.03 1p8x s PRO 611 CO 0.21 -2.44 1.99 -0.44 -0.33 0.00 0.00 177.00 175.99 1p8x h ASP 612 N -1.71 0.00 -0.61 2.53 3.32 -2.01 -2.46 116.42 115.48 1p8x h ASP 612 Ca -0.48 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.48 1p8x h ASP 612 Cb 1.28 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 1p8x h ASP 612 CO 0.50 0.00 0.06 1.23 -1.72 0.00 0.00 179.24 179.31 1p8x h GLY 613 N 1.70 1.14 0.88 2.75 0.00 -2.00 -1.96 103.07 105.59 1p8x h GLY 613 Ca 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.54 1p8x h GLY 613 CO 0.00 0.72 0.07 -2.75 0.00 0.00 0.00 176.54 174.58 1p8x h PHE 614 N 0.98 0.31 -0.19 5.60 3.04 -1.79 -1.61 116.94 123.27 1p8x h PHE 614 Ca 0.19 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.03 1p8x h PHE 614 Cb 0.48 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 1p8x h PHE 614 CO 0.03 0.37 -0.25 -1.49 -2.02 0.00 0.00 178.31 174.96 1p8x h TRP 615 N 0.15 0.39 0.07 0.41 -0.00 -1.54 -2.98 115.95 112.45 1p8x h TRP 615 Ca 0.06 -0.08 -0.00 0.00 -0.00 0.00 0.00 58.89 58.88 1p8x h TRP 615 Cb 0.20 -0.10 0.00 0.00 -0.00 0.00 0.00 29.16 29.26 1p8x h TRP 615 CO -0.01 0.58 -0.03 0.93 -0.00 0.00 0.00 178.44 179.91 1p8x h GLU 616 N 0.32 -0.08 -0.71 0.49 5.08 -1.21 0.29 114.58 118.76 1p8x h GLU 616 Ca 0.05 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.60 1p8x h GLU 616 Cb 0.61 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 1p8x h GLU 616 CO 0.04 0.15 0.50 0.00 -1.00 0.00 0.00 179.01 178.70 1p8x h ALA 617 N 0.60 2.49 -0.00 3.43 0.00 -1.21 0.48 119.26 125.05 1p8x h ALA 617 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1p8x h ALA 617 Cb 0.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1p8x h ALA 617 CO 0.01 -0.70 -0.24 1.28 0.00 0.00 0.00 179.25 179.61 1p8x n LEU 618 N -4.38 0.31 0.00 0.00 4.77 -1.05 -4.93 117.00 111.72 1p8x n LEU 618 Ca 0.14 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1p8x n LEU 618 Cb 0.70 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1p8x n LEU 618 CO 0.36 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1p8x n GLY 619 N 1.46 0.95 0.00 -0.72 0.00 0.17 -4.18 105.19 102.87 1p8x n GLY 619 Ca 0.08 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1p8x n GLY 619 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8x n GLY 620 N -1.14 2.90 3.77 -0.02 0.00 0.98 -4.99 105.19 106.69 1p8x n GLY 620 Ca 0.00 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 1p8x n GLY 620 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p8x s LYS 621 N -5.25 4.32 0.22 1.61 2.20 -1.26 -4.43 119.74 117.15 1p8x s LYS 621 Ca 0.00 2.22 -0.17 0.00 -0.36 0.00 0.00 55.97 57.66 1p8x s LYS 621 Cb 0.00 -3.04 0.02 0.00 -1.51 0.00 0.00 37.83 33.29 1p8x s LYS 621 CO 0.00 -0.22 0.53 0.00 -0.36 0.00 0.00 175.35 175.30 1p8x s ALA 622 N -1.15 -0.78 0.58 3.13 0.00 -1.26 -5.05 121.76 117.23 1p8x s ALA 622 Ca 0.50 -0.41 -0.18 0.00 0.00 0.00 0.00 51.96 51.86 1p8x s ALA 622 Cb -0.40 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 1p8x s ALA 622 CO 0.53 -0.84 1.14 0.00 0.00 0.00 0.00 175.76 176.59 1p8x s ALA 623 N -3.92 2.60 0.00 0.00 0.00 -1.26 -4.67 121.76 114.51 1p8x s ALA 623 Ca 0.13 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1p8x s ALA 623 Cb -0.01 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1p8x s ALA 623 CO 0.01 -0.98 0.00 2.48 0.00 0.00 0.00 175.76 177.27 1p8x n TYR 624 N -1.66 -0.02 -2.59 0.00 0.18 -1.26 -4.03 117.16 107.78 1p8x n TYR 624 Ca 0.12 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.48 1p8x n TYR 624 Cb 0.51 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.44 1p8x n TYR 624 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1p8x s ARG 625 N -0.67 3.33 0.14 -3.48 0.52 -0.62 -4.93 118.95 113.23 1p8x s ARG 625 Ca 0.00 -0.06 -0.07 0.00 -0.52 0.00 0.00 55.73 55.08 1p8x s ARG 625 Cb 0.00 -4.11 -0.01 0.00 0.52 0.00 0.00 34.95 31.35 1p8x s ARG 625 CO 0.00 -1.91 0.21 -0.08 0.02 0.00 0.00 175.30 173.54 1p8x s THR 626 N 5.27 0.09 0.00 0.02 -1.32 -1.26 -1.88 115.64 116.56 1p8x s THR 626 Ca 0.38 -1.45 0.00 0.00 -1.21 0.00 0.00 61.69 59.40 1p8x s THR 626 Cb -0.08 -1.77 0.00 0.00 -1.51 0.00 0.00 72.50 69.14 1p8x s THR 626 CO 0.19 -0.42 0.00 -1.54 -2.21 0.00 0.00 174.62 170.64 1p8x n SER 627 N -0.15 0.00 -0.37 8.08 3.41 -1.26 -4.07 113.62 119.25 1p8x n SER 627 Ca -0.09 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.53 1p8x n SER 627 Cb 0.63 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.73 1p8x n SER 627 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1p8x h PRO 628 N 0.00 1.20 -0.35 4.33 0.11 -2.01 -0.72 132.00 134.57 1p8x h PRO 628 Ca 0.00 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 1p8x h PRO 628 Cb 0.00 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 30.82 1p8x h PRO 628 CO 0.00 0.80 0.15 -0.09 -0.21 0.00 0.00 178.00 178.65 1p8x h ARG 629 N 1.24 0.51 -0.16 1.05 9.65 -1.96 -0.59 114.38 124.12 1p8x h ARG 629 Ca 0.41 -0.09 -0.05 0.00 -1.10 0.00 0.00 59.98 59.16 1p8x h ARG 629 Cb 0.06 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 1p8x h ARG 629 CO -0.14 0.49 -0.13 -0.07 2.80 0.00 0.00 179.97 182.92 1p8x h LEU 630 N 0.42 0.24 -0.37 3.80 3.38 -1.80 -2.67 115.31 118.31 1p8x h LEU 630 Ca 0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1p8x h LEU 630 Cb 0.16 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1p8x h LEU 630 CO -0.01 0.40 -0.06 0.11 0.09 0.00 0.00 178.44 178.97 1p8x h LYS 631 N 0.25 0.00 -5.97 1.13 1.57 -0.68 -3.22 116.57 109.65 1p8x h LYS 631 Ca 0.05 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.23 1p8x h LYS 631 Cb 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1p8x h LYS 631 CO 0.02 0.06 1.49 -3.47 -0.57 0.00 0.00 179.45 176.98 1p8x n ASP 632 N -3.12 3.06 0.08 0.86 -0.08 -0.27 -2.77 116.55 114.30 1p8x n ASP 632 Ca 0.03 0.20 0.12 0.00 -1.51 0.00 0.00 54.79 53.63 1p8x n ASP 632 Cb 0.50 -1.52 0.46 0.00 2.34 0.00 0.00 41.12 42.90 1p8x n ASP 632 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1p8x n LYS 633 N 8.71 0.16 -1.32 -0.67 4.81 -1.26 -4.74 118.16 123.84 1p8x n LYS 633 Ca 0.32 0.22 -0.43 0.00 -0.87 0.00 0.00 58.31 57.55 1p8x n LYS 633 Cb 0.42 -1.72 -0.01 0.00 0.02 0.00 0.00 35.03 33.74 1p8x n LYS 633 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1p8x n LYS 634 N -2.01 0.03 -2.39 1.64 0.00 -1.26 -4.90 118.16 109.26 1p8x n LYS 634 Ca 0.05 0.01 -0.42 0.00 0.00 0.00 0.00 58.31 57.95 1p8x n LYS 634 Cb 0.34 -1.03 -0.03 0.00 0.00 0.00 0.00 35.03 34.31 1p8x n LYS 634 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1p8x s MET 635 N -1.03 4.41 -0.20 1.64 -1.94 -1.26 -5.02 119.30 115.90 1p8x s MET 635 Ca 0.60 1.80 -0.01 0.00 -1.71 0.00 0.00 55.69 56.37 1p8x s MET 635 Cb -0.68 -3.36 0.05 0.00 2.01 0.00 0.00 34.83 32.85 1p8x s MET 635 CO 0.62 -0.30 -0.02 0.16 -0.01 0.00 0.00 175.02 175.47 1p8x s ASP 636 N 1.13 3.19 0.00 3.03 -4.77 -1.26 -4.95 116.67 113.04 1p8x s ASP 636 Ca 0.59 -0.89 0.08 0.00 -3.30 0.00 0.00 52.55 49.03 1p8x s ASP 636 Cb -0.30 -0.87 0.45 0.00 -1.09 0.00 0.00 42.92 41.11 1p8x s ASP 636 CO 0.29 -0.25 1.20 0.00 0.70 0.00 0.00 175.17 177.10 1p8x n ALA 637 N 4.88 2.44 -2.89 2.11 0.00 -1.26 -3.42 120.51 122.37 1p8x n ALA 637 Ca -0.11 -0.05 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 1p8x n ALA 637 Cb 0.46 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 1p8x n ALA 637 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1p8x n HIS 638 N -0.63 3.00 -1.67 0.00 8.25 -1.26 -5.09 115.22 117.82 1p8x n HIS 638 Ca 0.06 -3.73 -0.38 0.00 -0.26 0.00 0.00 57.72 53.41 1p8x n HIS 638 Cb 0.03 -0.39 0.05 0.00 1.12 0.00 0.00 29.99 30.79 1p8x n HIS 638 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1p8x n PRO 639 N -0.18 1.15 -1.71 -0.41 -0.02 -1.22 -4.65 135.00 127.96 1p8x n PRO 639 Ca 0.30 0.44 -0.43 0.00 -2.02 0.00 0.00 63.50 61.78 1p8x n PRO 639 Cb 0.52 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 1p8x n PRO 639 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1p8x n PRO 640 N -1.10 2.35 -4.84 0.52 -0.02 -1.26 -4.93 135.00 125.72 1p8x n PRO 640 Ca 0.13 0.84 -0.31 0.00 -2.02 0.00 0.00 63.50 62.14 1p8x n PRO 640 Cb 0.46 -2.54 -0.14 0.00 -0.02 0.00 0.00 33.50 31.27 1p8x n PRO 640 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1p8x s ARG 641 N -0.71 2.10 -0.07 -0.52 0.52 -0.44 -4.96 118.95 114.87 1p8x s ARG 641 Ca 0.64 -0.95 0.05 0.00 -0.52 0.00 0.00 55.73 54.95 1p8x s ARG 641 Cb -0.57 -2.16 -0.01 0.00 0.52 0.00 0.00 34.95 32.74 1p8x s ARG 641 CO 0.51 0.55 -0.25 -1.17 0.02 0.00 0.00 175.30 174.97 1p8x s LEU 642 N -1.16 2.07 -0.01 2.53 2.96 -1.26 -0.28 118.68 123.54 1p8x s LEU 642 Ca 0.13 -0.52 0.06 0.00 -0.22 0.00 0.00 54.13 53.58 1p8x s LEU 642 Cb -0.10 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 1p8x s LEU 642 CO 0.03 0.21 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.71 1p8x s PHE 643 N 0.01 1.79 -0.23 5.38 0.40 0.72 -0.43 117.98 125.62 1p8x s PHE 643 Ca -0.09 -0.34 -0.10 0.00 -0.60 0.00 0.00 56.93 55.80 1p8x s PHE 643 Cb -0.15 -1.14 -0.05 0.00 0.51 0.00 0.00 43.02 42.19 1p8x s PHE 643 CO 0.05 -0.02 0.15 0.00 0.70 0.00 0.00 175.22 176.10 1p8x s ALA 644 N -0.50 3.60 -0.14 5.36 0.00 0.41 -0.17 121.76 130.33 1p8x s ALA 644 Ca 0.08 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1p8x s ALA 644 Cb -0.08 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.79 1p8x s ALA 644 CO -0.01 -0.12 -0.22 0.00 0.00 0.00 0.00 175.76 175.42 1p8x s SER 646 N 0.79 -0.27 -0.21 0.00 0.15 -0.45 -2.12 113.70 111.60 1p8x s SER 646 Ca -0.07 0.35 0.15 0.00 0.70 0.00 0.00 55.95 57.07 1p8x s SER 646 Cb -0.16 0.48 0.56 0.00 -1.71 0.00 0.00 66.02 65.19 1p8x s SER 646 CO -0.01 -0.30 1.48 -0.46 1.20 0.00 0.00 173.24 175.14 1p8x n ASN 647 N 1.98 3.80 -0.27 5.45 2.04 -1.26 -0.38 115.26 126.61 1p8x n ASN 647 Ca -0.18 -3.17 0.07 0.00 -0.44 0.00 0.00 54.58 50.87 1p8x n ASN 647 Cb 0.57 -0.59 0.22 0.00 -2.53 0.00 0.00 39.78 37.45 1p8x n ASN 647 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 1p8x h LYS 648 N 1.81 0.42 0.00 -3.83 3.64 -1.96 0.83 116.57 117.47 1p8x h LYS 648 Ca 0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1p8x h LYS 648 Cb 1.59 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 1p8x h LYS 648 CO 0.31 0.28 0.00 0.44 -2.27 0.00 0.00 179.45 178.21 1p8x n ILE 649 N -5.01 0.02 0.00 2.00 -5.35 -1.26 -4.79 119.36 104.96 1p8x n ILE 649 Ca 0.17 0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.65 1p8x n ILE 649 Cb 0.48 -0.68 0.00 0.00 -1.74 0.00 0.00 39.64 37.70 1p8x n ILE 649 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p8x n GLY 650 N 0.32 0.60 3.11 3.28 0.00 0.28 -5.05 105.19 107.73 1p8x n GLY 650 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 1p8x n GLY 650 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1p8x s ARG 651 N -0.94 0.54 -0.02 1.61 6.06 -1.23 -5.10 118.95 119.87 1p8x s ARG 651 Ca 0.00 -0.59 -0.30 0.00 -2.50 0.00 0.00 55.73 52.34 1p8x s ARG 651 Cb 0.00 0.22 -0.03 0.00 0.06 0.00 0.00 34.95 35.20 1p8x s ARG 651 CO 0.00 -0.13 1.05 0.12 -2.50 0.00 0.00 175.30 173.84 1p8x s PHE 652 N -2.05 3.53 -0.00 5.12 5.36 -1.26 -4.08 117.98 124.59 1p8x s PHE 652 Ca -0.10 1.55 0.04 0.00 -0.96 0.00 0.00 56.93 57.46 1p8x s PHE 652 Cb -0.04 -3.23 -0.01 0.00 -0.34 0.00 0.00 43.02 39.40 1p8x s PHE 652 CO -0.02 -0.45 -0.14 0.08 -1.46 0.00 0.00 175.22 173.24 1p8x s VAL 653 N 1.39 1.11 -0.09 3.12 1.01 0.48 -4.97 120.40 122.44 1p8x s VAL 653 Ca 0.53 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.90 1p8x s VAL 653 Cb -0.22 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.23 1p8x s VAL 653 CO 0.25 0.27 -0.22 -0.63 0.00 0.00 0.00 175.10 174.77 1p8x s ILE 654 N -0.40 1.93 -0.02 2.22 1.01 -1.26 -1.34 121.20 123.34 1p8x s ILE 654 Ca 0.05 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.79 1p8x s ILE 654 Cb -0.06 -1.67 -0.00 0.00 0.01 0.00 0.00 42.46 40.74 1p8x s ILE 654 CO -0.00 0.53 -0.13 -1.61 0.00 0.00 0.00 174.94 173.73 1p8x s GLU 655 N 0.34 1.24 0.07 2.79 2.02 -0.52 -4.98 118.70 119.66 1p8x s GLU 655 Ca -0.17 -0.46 -0.23 0.00 0.02 0.00 0.00 54.97 54.13 1p8x s GLU 655 Cb -0.17 -1.15 -0.06 0.00 0.10 0.00 0.00 34.13 32.85 1p8x s GLU 655 CO 0.08 0.22 0.68 -2.00 0.02 0.00 0.00 175.26 174.26 1p8x s GLU 656 N -0.06 4.40 -0.08 1.61 2.12 -1.26 -0.44 118.70 124.99 1p8x s GLU 656 Ca 0.00 0.93 -0.27 0.00 0.36 0.00 0.00 54.97 55.99 1p8x s GLU 656 Cb -0.08 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 30.99 1p8x s GLU 656 CO 0.00 0.48 0.88 0.08 -0.54 0.00 0.00 175.26 176.16 1p8x s VAL 657 N -0.66 4.90 0.84 3.70 1.01 0.43 -4.93 120.40 125.69 1p8x s VAL 657 Ca 0.34 1.79 -0.08 0.00 0.00 0.00 0.00 61.98 64.03 1p8x s VAL 657 Cb -0.20 -4.20 0.17 0.00 0.00 0.00 0.00 36.38 32.14 1p8x s VAL 657 CO 0.22 0.12 1.15 -2.16 0.00 0.00 0.00 175.10 174.43 1p8x s PRO 658 N 1.41 1.15 3.27 2.72 0.04 -1.26 -4.56 135.00 137.77 1p8x s PRO 658 Ca 0.44 -0.81 0.00 0.00 0.04 0.00 0.00 61.00 60.67 1p8x s PRO 658 Cb -0.19 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1p8x s PRO 658 CO 0.20 -1.93 0.00 0.41 0.04 0.00 0.00 177.00 175.72 1p8x n GLY 659 N -3.28 0.66 3.78 0.56 0.00 -1.26 -4.73 105.19 100.91 1p8x n GLY 659 Ca 0.15 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 1p8x n GLY 659 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p8x s GLU 660 N 0.00 4.08 -0.05 1.61 0.41 -0.12 -4.98 118.70 119.64 1p8x s GLU 660 Ca 0.00 1.57 -0.29 0.00 -0.41 0.00 0.00 54.97 55.84 1p8x s GLU 660 Cb 0.00 -2.52 -0.02 0.00 -1.78 0.00 0.00 34.13 29.81 1p8x s GLU 660 CO 0.00 -0.23 0.98 -0.51 -0.49 0.00 0.00 175.26 175.01 1p8x s LEU 661 N -2.72 4.31 0.09 1.80 1.43 -1.26 -4.86 118.68 117.48 1p8x s LEU 661 Ca 0.59 1.58 0.04 0.00 -1.03 0.00 0.00 54.13 55.31 1p8x s LEU 661 Cb -0.24 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 1p8x s LEU 661 CO 0.29 -0.34 -0.12 -0.04 0.23 0.00 0.00 176.35 176.37 1p8x s MET 662 N 1.46 0.86 0.36 1.70 -1.94 -1.26 -1.24 119.30 119.24 1p8x s MET 662 Ca 0.50 -1.10 0.09 0.00 -1.71 0.00 0.00 55.69 53.46 1p8x s MET 662 Cb -0.20 -0.68 0.82 0.00 2.01 0.00 0.00 34.83 36.78 1p8x s MET 662 CO 0.23 0.13 1.89 0.37 -0.01 0.00 0.00 175.02 177.63 1p8x h GLN 663 N 3.79 0.67 0.00 2.03 4.15 -1.87 0.05 115.11 123.93 1p8x h GLN 663 Ca -0.39 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 58.98 1p8x h GLN 663 Cb 1.19 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.73 1p8x h GLN 663 CO 0.48 0.44 -0.04 1.49 -1.93 0.00 0.00 178.83 179.28 1p8x h GLU 664 N 0.69 0.00 0.00 1.69 4.22 -1.96 -1.94 114.58 117.28 1p8x h GLU 664 Ca 0.41 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.85 1p8x h GLU 664 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1p8x h GLU 664 CO -0.17 0.04 0.00 -0.25 -2.18 0.00 0.00 179.01 176.45 1p8x n ASP 665 N -4.16 0.46 -4.56 1.04 8.00 0.00 -4.61 116.55 112.71 1p8x n ASP 665 Ca -0.03 0.61 -0.43 0.00 0.71 0.00 0.00 54.79 55.66 1p8x n ASP 665 Cb 0.12 -0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 40.48 1p8x n ASP 665 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1p8x s LEU 666 N -4.01 3.76 -0.48 0.64 1.43 -0.73 -4.96 118.68 114.33 1p8x s LEU 666 Ca 0.05 0.04 -0.28 0.00 -1.03 0.00 0.00 54.13 52.91 1p8x s LEU 666 Cb 0.09 -3.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.16 1p8x s LEU 666 CO 0.35 -1.30 1.66 0.00 0.23 0.00 0.00 176.35 177.29 1p8x s ALA 667 N 4.38 2.69 0.61 4.21 0.00 -1.26 -4.87 121.76 127.51 1p8x s ALA 667 Ca 0.39 -0.29 0.39 0.00 0.00 0.00 0.00 51.96 52.45 1p8x s ALA 667 Cb -0.09 -4.10 2.16 0.00 0.00 0.00 0.00 23.12 21.08 1p8x s ALA 667 CO 0.25 -3.01 2.31 1.79 0.00 0.00 0.00 175.76 177.10 1p8x h THR 668 N 6.67 0.19 -0.01 0.00 1.35 -1.94 0.12 112.91 119.29 1p8x h THR 668 Ca -0.29 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1p8x h THR 668 Cb 1.14 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1p8x h THR 668 CO 1.13 0.01 -0.11 0.47 -0.25 0.00 0.00 175.52 176.77 1p8x n ASP 669 N -3.35 1.23 -0.74 5.36 8.00 -1.26 -0.92 116.55 124.88 1p8x n ASP 669 Ca -0.03 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.27 1p8x n ASP 669 Cb 0.09 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1p8x n ASP 669 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1p8x n ASP 670 N -0.23 0.82 -4.32 -2.24 10.43 0.43 -3.78 116.55 117.65 1p8x n ASP 670 Ca 0.16 -0.52 -0.31 0.00 2.57 0.00 0.00 54.79 56.69 1p8x n ASP 670 Cb 0.34 0.00 -0.15 0.00 1.84 0.00 0.00 41.12 43.15 1p8x n ASP 670 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1p8x s VAL 671 N -0.92 2.08 0.17 2.53 1.01 -0.90 -0.80 120.40 123.56 1p8x s VAL 671 Ca 0.00 -1.22 0.10 0.00 0.00 0.00 0.00 61.98 60.87 1p8x s VAL 671 Cb 0.00 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1p8x s VAL 671 CO 0.00 0.49 -0.23 -0.04 0.00 0.00 0.00 175.10 175.33 1p8x s MET 672 N -0.85 1.40 -0.13 2.72 1.00 0.02 -0.16 119.30 123.29 1p8x s MET 672 Ca 0.11 -1.43 0.03 0.00 0.00 0.00 0.00 55.69 54.39 1p8x s MET 672 Cb -0.10 -1.67 0.01 0.00 0.00 0.00 0.00 34.83 33.06 1p8x s MET 672 CO 0.00 0.37 -0.22 -0.51 0.00 0.00 0.00 175.02 174.66 1p8x s LEU 673 N -2.50 2.12 -0.33 -0.03 1.43 0.77 -0.02 118.68 120.12 1p8x s LEU 673 Ca 0.17 -0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 52.64 1p8x s LEU 673 Cb -0.08 -1.44 0.06 0.00 0.03 0.00 0.00 46.19 44.75 1p8x s LEU 673 CO 0.08 0.09 0.06 -0.22 0.23 0.00 0.00 176.35 176.59 1p8x s LEU 674 N 0.73 4.22 -0.50 1.79 0.20 0.17 -0.20 118.68 125.09 1p8x s LEU 674 Ca -0.09 -1.34 -0.16 0.00 0.69 0.00 0.00 54.13 53.24 1p8x s LEU 674 Cb -0.16 -1.78 0.10 0.00 -0.43 0.00 0.00 46.19 43.92 1p8x s LEU 674 CO 0.00 -0.32 0.44 -0.62 -0.29 0.00 0.00 176.35 175.56 1p8x s ASP 675 N 1.39 6.15 -0.08 3.68 -1.08 0.62 -0.40 116.67 126.95 1p8x s ASP 675 Ca -0.02 -1.53 0.11 0.00 -0.52 0.00 0.00 52.55 50.59 1p8x s ASP 675 Cb -0.20 -2.19 0.47 0.00 -1.46 0.00 0.00 42.92 39.54 1p8x s ASP 675 CO -0.00 -0.73 1.32 0.35 0.52 0.00 0.00 175.17 176.62 1p8x n THR 676 N 5.22 1.22 0.00 1.71 -2.24 0.10 -1.33 114.28 118.96 1p8x n THR 676 Ca -0.13 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1p8x n THR 676 Cb 0.42 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1p8x n THR 676 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1p8x n TRP 677 N 0.62 0.00 0.66 4.78 -0.00 -1.26 -4.30 117.44 117.93 1p8x n TRP 677 Ca 0.17 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.80 1p8x n TRP 677 Cb 0.64 0.00 0.37 0.00 -0.00 0.00 0.00 31.31 32.32 1p8x n TRP 677 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1p8x n ASP 678 N 1.89 0.72 -3.53 5.87 5.68 -1.26 -4.73 116.55 121.20 1p8x n ASP 678 Ca 0.00 0.47 -0.15 0.00 -0.50 0.00 0.00 54.79 54.60 1p8x n ASP 678 Cb 0.00 -0.57 -0.05 0.00 -1.14 0.00 0.00 41.12 39.36 1p8x n ASP 678 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1p8x s GLN 679 N -3.10 0.94 -0.16 0.11 0.74 -1.26 -4.28 119.66 112.65 1p8x s GLN 679 Ca 0.10 0.15 0.01 0.00 0.05 0.00 0.00 55.36 55.67 1p8x s GLN 679 Cb 0.13 0.44 0.02 0.00 1.10 0.00 0.00 33.01 34.70 1p8x s GLN 679 CO 0.62 -0.31 -0.16 0.08 -0.55 0.00 0.00 175.29 174.97 1p8x s VAL 680 N -1.44 1.73 -0.09 1.34 1.01 -0.68 -0.72 120.40 121.55 1p8x s VAL 680 Ca -0.07 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 1p8x s VAL 680 Cb -0.00 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 1p8x s VAL 680 CO 0.05 0.49 0.27 -0.36 0.00 0.00 0.00 175.10 175.55 1p8x s PHE 681 N 1.39 3.61 -0.36 5.22 0.08 0.46 -1.27 117.98 127.11 1p8x s PHE 681 Ca 0.04 0.71 -0.07 0.00 0.12 0.00 0.00 56.93 57.73 1p8x s PHE 681 Cb -0.13 -2.17 0.05 0.00 -0.57 0.00 0.00 43.02 40.20 1p8x s PHE 681 CO -0.11 0.57 0.15 0.08 -0.10 0.00 0.00 175.22 175.81 1p8x s VAL 682 N -0.65 3.89 -0.18 -0.44 1.01 -0.13 -0.65 120.40 123.25 1p8x s VAL 682 Ca 0.18 -1.23 -0.15 0.00 0.00 0.00 0.00 61.98 60.78 1p8x s VAL 682 Cb -0.14 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1p8x s VAL 682 CO 0.07 -0.28 0.38 0.86 0.00 0.00 0.00 175.10 176.13 1p8x s TRP 683 N 1.40 3.41 -0.32 5.22 -0.00 0.97 -0.68 118.94 128.94 1p8x s TRP 683 Ca 0.00 0.63 -0.10 0.00 -0.00 0.00 0.00 56.10 56.64 1p8x s TRP 683 Cb -0.20 -2.48 -0.01 0.00 -0.00 0.00 0.00 33.47 30.78 1p8x s TRP 683 CO 0.02 0.08 0.16 0.08 -0.00 0.00 0.00 176.95 177.29 1p8x s VAL 684 N 1.00 4.67 0.34 5.86 1.01 0.52 -0.80 120.40 133.01 1p8x s VAL 684 Ca 0.19 -0.41 -0.28 0.00 0.00 0.00 0.00 61.98 61.47 1p8x s VAL 684 Cb -0.14 -3.39 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 1p8x s VAL 684 CO 0.07 0.05 1.34 -0.83 0.00 0.00 0.00 175.10 175.73 1p8x s GLY 685 N 1.62 2.99 0.44 4.51 0.00 0.02 -1.96 107.32 114.94 1p8x s GLY 685 Ca 0.05 1.31 0.16 0.00 0.00 0.00 0.00 44.72 46.24 1p8x s GLY 685 CO 0.07 1.97 1.95 1.70 0.00 0.00 0.00 173.10 178.78 1p8x h LYS 686 N 3.27 0.38 -0.49 2.90 3.64 -1.79 -1.61 116.57 122.87 1p8x h LYS 686 Ca -0.49 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.82 1p8x h LYS 686 Cb 1.23 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 1p8x h LYS 686 CO 0.65 0.25 0.04 -0.25 -2.27 0.00 0.00 179.45 177.87 1p8x n ASP 687 N -4.47 4.88 -4.89 4.20 8.00 -0.09 -5.00 116.55 119.17 1p8x n ASP 687 Ca 0.12 -3.05 -0.29 0.00 0.71 0.00 0.00 54.79 52.28 1p8x n ASP 687 Cb 0.47 -0.65 0.05 0.00 -0.02 0.00 0.00 41.12 40.97 1p8x n ASP 687 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1p8x s SER 688 N -1.27 5.23 0.19 -2.24 1.04 -0.61 -4.68 113.70 111.36 1p8x s SER 688 Ca 0.50 0.96 0.01 0.00 0.48 0.00 0.00 55.95 57.90 1p8x s SER 688 Cb 0.40 -1.71 -0.04 0.00 0.10 0.00 0.00 66.02 64.77 1p8x s SER 688 CO 0.13 -1.44 0.35 -1.10 0.98 0.00 0.00 173.24 172.16 1p8x s GLN 689 N -5.35 3.48 0.24 4.02 -0.21 -1.26 -5.00 119.66 115.57 1p8x s GLN 689 Ca 0.58 -0.49 -0.06 0.00 0.02 0.00 0.00 55.36 55.42 1p8x s GLN 689 Cb -0.11 -2.89 0.32 0.00 1.00 0.00 0.00 33.01 31.34 1p8x s GLN 689 CO 0.50 0.44 1.84 0.93 -2.12 0.00 0.00 175.29 176.88 1p8x h GLU 690 N 1.91 0.87 0.00 2.91 4.39 -2.00 -1.31 114.58 121.36 1p8x h GLU 690 Ca -0.49 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.13 1p8x h GLU 690 Cb 1.20 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1p8x h GLU 690 CO 0.67 0.58 -0.13 0.93 -1.16 0.00 0.00 179.01 179.90 1p8x h GLU 691 N 0.90 0.00 -0.13 2.33 3.07 -1.99 -1.83 114.58 116.92 1p8x h GLU 691 Ca 0.36 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.06 1p8x h GLU 691 Cb 0.20 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1p8x h GLU 691 CO -0.18 0.13 -0.59 0.93 -1.40 0.00 0.00 179.01 177.90 1p8x h GLU 692 N 0.00 0.44 -0.29 2.33 5.08 -1.63 -1.79 114.58 118.71 1p8x h GLU 692 Ca -0.00 -0.29 -0.18 0.00 -1.00 0.00 0.00 59.36 57.88 1p8x h GLU 692 Cb 0.29 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1p8x h GLU 692 CO 0.02 0.90 -0.54 -0.22 -1.00 0.00 0.00 179.01 178.17 1p8x h LYS 693 N 0.33 0.86 0.08 2.33 3.64 -1.25 -1.27 116.57 121.29 1p8x h LYS 693 Ca -0.00 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1p8x h LYS 693 Cb 1.12 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1p8x h LYS 693 CO 0.10 1.17 -0.08 1.15 -2.27 0.00 0.00 179.45 179.52 1p8x h THR 694 N 0.66 0.81 0.00 1.00 2.02 -1.25 -1.59 112.91 114.56 1p8x h THR 694 Ca 0.02 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.12 1p8x h THR 694 Cb 1.14 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1p8x h THR 694 CO 0.12 0.00 -0.39 -0.33 0.37 0.00 0.00 175.52 175.29 1p8x h GLU 695 N -0.19 0.00 -0.55 6.66 4.39 -1.35 -2.68 114.58 120.87 1p8x h GLU 695 Ca 0.01 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1p8x h GLU 695 Cb 0.18 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1p8x h GLU 695 CO -0.03 0.39 -0.06 0.00 -1.16 0.00 0.00 179.01 178.16 1p8x h ALA 696 N 1.61 0.85 -0.55 3.43 0.00 -0.87 -0.29 119.26 123.43 1p8x h ALA 696 Ca -0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1p8x h ALA 696 Cb 0.84 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1p8x h ALA 696 CO 0.05 0.66 0.14 -0.07 0.00 0.00 0.00 179.25 180.03 1p8x h LEU 697 N 0.90 0.84 -1.07 0.00 3.38 -1.10 0.35 115.31 118.61 1p8x h LEU 697 Ca 0.15 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1p8x h LEU 697 Cb 0.61 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1p8x h LEU 697 CO 0.04 0.85 0.21 0.74 0.09 0.00 0.00 178.44 180.36 1p8x h THR 698 N 0.79 1.22 -0.21 0.22 2.02 -1.24 -1.47 112.91 114.23 1p8x h THR 698 Ca 0.17 -0.72 -0.14 0.00 0.77 0.00 0.00 66.41 66.49 1p8x h THR 698 Cb 0.33 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1p8x h THR 698 CO 0.00 0.28 -0.46 0.28 0.37 0.00 0.00 175.52 176.00 1p8x h SER 699 N 0.86 0.59 -0.41 4.18 0.02 -0.39 -0.88 113.55 117.52 1p8x h SER 699 Ca 0.20 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1p8x h SER 699 Cb 0.21 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1p8x h SER 699 CO -0.01 0.96 0.27 0.00 -1.14 0.00 0.00 176.83 176.90 1p8x h ALA 700 N 1.06 0.52 -0.58 3.77 0.00 0.20 -0.04 119.26 124.20 1p8x h ALA 700 Ca 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1p8x h ALA 700 Cb 0.97 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1p8x h ALA 700 CO 0.09 -0.01 0.28 -0.22 0.00 0.00 0.00 179.25 179.38 1p8x h LYS 701 N 0.55 0.83 -0.82 0.00 3.64 -1.05 -1.65 116.57 118.07 1p8x h LYS 701 Ca 0.15 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1p8x h LYS 701 Cb -0.05 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.58 1p8x h LYS 701 CO -0.03 0.67 0.53 -0.09 -2.27 0.00 0.00 179.45 178.26 1p8x h ARG 702 N 0.79 1.10 -0.32 1.90 2.43 -0.78 -0.48 114.38 119.02 1p8x h ARG 702 Ca 0.20 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1p8x h ARG 702 Cb 0.11 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1p8x h ARG 702 CO -0.03 0.75 0.13 1.88 -1.51 0.00 0.00 179.97 181.19 1p8x h TYR 703 N 1.12 0.49 -0.11 2.20 -1.99 -0.74 -1.96 116.97 115.98 1p8x h TYR 703 Ca 0.30 -0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.93 1p8x h TYR 703 Cb -0.09 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.48 1p8x h TYR 703 CO -0.01 0.46 -0.22 0.82 -0.00 0.00 0.00 178.16 179.21 1p8x h ILE 704 N 0.37 1.21 -0.00 -2.88 2.04 -0.89 -2.60 117.51 114.76 1p8x h ILE 704 Ca 0.11 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1p8x h ILE 704 Cb 0.17 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1p8x h ILE 704 CO -0.01 0.30 -0.06 -0.62 0.00 0.00 0.00 178.15 177.76 1p8x n GLU 705 N -4.21 0.65 -0.16 2.37 1.02 -0.22 -4.24 120.64 115.85 1p8x n GLU 705 Ca -0.01 -0.14 -0.09 0.00 -0.02 0.00 0.00 57.16 56.89 1p8x n GLU 705 Cb 0.33 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.25 1p8x n GLU 705 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1p8x h THR 706 N 0.35 1.24 -2.03 2.62 2.02 -0.95 -3.37 112.91 112.79 1p8x h THR 706 Ca 0.00 -0.88 -0.56 0.00 0.77 0.00 0.00 66.41 65.73 1p8x h THR 706 Cb 0.30 0.93 -0.39 0.00 -1.74 0.00 0.00 68.15 67.25 1p8x h THR 706 CO 0.00 0.31 -1.03 -0.67 0.37 0.00 0.00 175.52 174.50 1p8x n ASP 707 N -4.47 0.73 -0.32 4.18 4.64 -1.26 -4.98 116.55 115.07 1p8x n ASP 707 Ca 0.01 -2.81 0.21 0.00 -1.38 0.00 0.00 54.79 50.82 1p8x n ASP 707 Cb 0.24 -0.64 0.49 0.00 -1.04 0.00 0.00 41.12 40.16 1p8x n ASP 707 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1p8x h PRO 708 N 3.99 0.42 0.00 -0.67 0.11 -1.76 0.18 132.00 134.27 1p8x h PRO 708 Ca 0.09 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1p8x h PRO 708 Cb 0.85 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1p8x h PRO 708 CO 0.52 0.28 0.00 0.00 -0.21 0.00 0.00 178.00 178.59 1p8x n ALA 709 N -2.46 1.26 0.34 -0.75 0.00 -1.26 -2.87 120.51 114.78 1p8x n ALA 709 Ca 0.25 0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.86 1p8x n ALA 709 Cb 0.83 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.99 1p8x n ALA 709 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1p8x n ASN 710 N -2.13 1.28 -3.78 0.00 3.02 0.62 -5.01 115.26 109.27 1p8x n ASN 710 Ca 0.00 -1.14 -0.13 0.00 -0.03 0.00 0.00 54.58 53.28 1p8x n ASN 710 Cb 0.10 0.31 -0.13 0.00 -0.61 0.00 0.00 39.78 39.44 1p8x n ASN 710 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p8x s ARG 711 N -1.00 0.18 0.00 3.52 1.70 -1.14 -5.11 118.95 117.12 1p8x s ARG 711 Ca 0.08 0.34 0.00 0.00 -0.47 0.00 0.00 55.73 55.67 1p8x s ARG 711 Cb 0.06 -0.01 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 1p8x s ARG 711 CO 0.16 -0.09 0.00 -0.25 -1.08 0.00 0.00 175.30 174.05 1p8x n ASP 712 N 3.53 0.00 0.06 -2.89 9.92 -1.26 -4.87 116.55 121.04 1p8x n ASP 712 Ca -0.18 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 53.89 1p8x n ASP 712 Cb 0.56 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.89 1p8x n ASP 712 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1p8x h ARG 713 N 0.00 0.30 -0.41 -1.24 1.12 -1.99 -3.35 114.38 108.80 1p8x h ARG 713 Ca 0.00 -0.51 0.00 0.00 -1.11 0.00 0.00 59.98 58.36 1p8x h ARG 713 Cb 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 29.97 30.15 1p8x h ARG 713 CO 0.00 1.17 0.00 0.54 -3.11 0.00 0.00 179.97 178.57 1p8x n ARG 714 N -3.49 2.05 -0.98 0.20 3.00 -1.26 -4.97 116.66 111.21 1p8x n ARG 714 Ca -0.20 -1.62 -0.46 0.00 -0.01 0.00 0.00 57.85 55.56 1p8x n ARG 714 Cb 1.06 -1.38 -0.09 0.00 0.00 0.00 0.00 32.46 32.05 1p8x n ARG 714 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1p8x n THR 715 N 0.82 0.00 -3.13 0.55 -1.04 -1.26 -4.85 114.28 105.37 1p8x n THR 715 Ca 0.16 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.90 1p8x n THR 715 Cb 0.40 -0.38 -0.02 0.00 -1.82 0.00 0.00 70.33 68.51 1p8x n THR 715 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1p8x s PRO 716 N 4.45 3.57 -0.19 -2.82 0.04 -1.26 -4.94 135.00 133.86 1p8x s PRO 716 Ca 0.91 -0.01 -0.03 0.00 0.04 0.00 0.00 61.00 61.91 1p8x s PRO 716 Cb -1.15 -2.56 -0.01 0.00 0.04 0.00 0.00 34.50 30.82 1p8x s PRO 716 CO 0.51 0.06 -0.06 0.42 0.04 0.00 0.00 177.00 177.97 1p8x s ILE 717 N -2.35 3.40 -0.17 0.56 1.01 -1.26 -1.69 121.20 120.69 1p8x s ILE 717 Ca 0.44 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.60 1p8x s ILE 717 Cb -0.10 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.87 1p8x s ILE 717 CO 0.36 0.46 -0.19 -0.89 0.00 0.00 0.00 174.94 174.68 1p8x s THR 718 N 1.01 2.19 -0.09 2.92 2.01 -0.39 -5.00 115.64 118.28 1p8x s THR 718 Ca 0.00 -0.91 -0.22 0.00 0.31 0.00 0.00 61.69 60.87 1p8x s THR 718 Cb -0.15 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 1p8x s THR 718 CO -0.00 0.53 0.64 -0.69 -0.69 0.00 0.00 174.62 174.41 1p8x s VAL 719 N 1.12 5.08 0.14 3.82 1.01 -1.26 -0.96 120.40 129.36 1p8x s VAL 719 Ca 0.01 1.29 0.07 0.00 0.00 0.00 0.00 61.98 63.35 1p8x s VAL 719 Cb -0.14 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1p8x s VAL 719 CO -0.08 0.25 -0.17 0.68 0.00 0.00 0.00 175.10 175.79 1p8x s VAL 720 N 0.88 1.62 0.10 2.92 -7.23 0.14 -4.93 120.40 113.89 1p8x s VAL 720 Ca 0.34 -1.80 0.07 0.00 -1.81 0.00 0.00 61.98 58.78 1p8x s VAL 720 Cb -0.17 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 1p8x s VAL 720 CO 0.15 -0.33 -0.13 -0.54 -0.31 0.00 0.00 175.10 173.95 1p8x s LYS 721 N -2.65 2.05 0.10 4.82 1.02 -1.26 -0.35 119.74 123.46 1p8x s LYS 721 Ca 0.12 -1.05 -0.36 0.00 0.02 0.00 0.00 55.97 54.70 1p8x s LYS 721 Cb -0.06 -2.25 -0.16 0.00 -0.52 0.00 0.00 37.83 34.84 1p8x s LYS 721 CO 0.05 0.51 1.32 0.94 -0.92 0.00 0.00 175.35 177.25 1p8x n GLN 722 N 0.85 1.19 -0.93 1.68 7.27 -0.83 -0.34 117.38 126.27 1p8x n GLN 722 Ca -0.14 0.43 0.00 0.00 0.07 0.00 0.00 57.00 57.35 1p8x n GLN 722 Cb 0.52 -2.05 0.00 0.00 2.41 0.00 0.00 30.24 31.12 1p8x n GLN 722 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1p8x n GLY 723 N 2.47 1.02 1.54 1.69 0.00 -1.26 -4.82 105.19 105.82 1p8x n GLY 723 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1p8x n GLY 723 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1p8x n PHE 724 N -2.00 0.60 -2.55 1.61 3.01 0.54 -5.09 117.46 113.59 1p8x n PHE 724 Ca 0.00 -1.33 -0.41 0.00 1.01 0.00 0.00 57.45 56.72 1p8x n PHE 724 Cb 0.00 -0.22 -0.04 0.00 -0.01 0.00 0.00 39.48 39.21 1p8x n PHE 724 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1p8x s GLU 725 N -2.14 4.62 0.65 -1.08 8.01 -1.23 -4.52 118.70 123.00 1p8x s GLU 725 Ca 0.36 1.68 -0.11 0.00 0.01 0.00 0.00 54.97 56.91 1p8x s GLU 725 Cb 0.37 -3.29 -0.02 0.00 -4.31 0.00 0.00 34.13 26.89 1p8x s GLU 725 CO -0.09 0.11 1.05 -1.25 0.01 0.00 0.00 175.26 175.09 1p8x s PRO 726 N -0.37 3.31 0.37 0.39 0.04 -1.26 -4.83 135.00 132.65 1p8x s PRO 726 Ca 0.49 0.69 0.07 0.00 0.04 0.00 0.00 61.00 62.28 1p8x s PRO 726 Cb -0.29 -2.05 0.77 0.00 0.04 0.00 0.00 34.50 32.97 1p8x s PRO 726 CO 0.34 -0.76 1.97 -1.35 0.04 0.00 0.00 177.00 177.23 1p8x h PRO 727 N -0.46 0.70 0.00 0.56 0.11 -1.91 -0.49 132.00 130.50 1p8x h PRO 727 Ca -0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1p8x h PRO 727 Cb 1.21 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1p8x h PRO 727 CO 0.62 0.46 -0.04 0.66 -0.21 0.00 0.00 178.00 179.49 1p8x h SER 728 N 0.72 0.00 0.00 -2.05 4.64 -1.94 -0.56 113.55 114.36 1p8x h SER 728 Ca 0.30 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.47 1p8x h SER 728 Cb 0.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1p8x h SER 728 CO -0.10 0.04 -0.92 0.15 -0.87 0.00 0.00 176.83 175.13 1p8x h PHE 729 N 0.00 0.00 -0.63 4.77 3.57 -1.50 -3.40 116.94 119.75 1p8x h PHE 729 Ca -0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1p8x h PHE 729 Cb 0.13 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1p8x h PHE 729 CO 0.00 1.14 0.42 0.28 -2.23 0.00 0.00 178.31 177.92 1p8x h VAL 730 N -1.00 1.04 0.00 1.41 2.07 -1.04 -2.60 116.25 116.14 1p8x h VAL 730 Ca -0.23 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1p8x h VAL 730 Cb 1.09 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1p8x h VAL 730 CO -0.14 0.13 0.13 1.23 0.02 0.00 0.00 177.57 178.94 1p8x h GLY 731 N 0.69 0.00 0.13 2.17 0.00 -1.31 -1.29 103.07 103.46 1p8x h GLY 731 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1p8x h GLY 731 CO -0.08 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.25 1p8x n TRP 732 N -2.76 0.05 -4.05 5.60 7.02 -0.98 -4.84 117.44 117.48 1p8x n TRP 732 Ca -0.02 -0.03 -0.30 0.00 -1.02 0.00 0.00 57.50 56.13 1p8x n TRP 732 Cb 0.18 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.01 1p8x n TRP 732 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1p8x s PHE 733 N -1.95 3.19 -0.89 -5.99 0.40 -0.49 -4.63 117.98 107.64 1p8x s PHE 733 Ca 0.36 0.07 -0.21 0.00 -0.60 0.00 0.00 56.93 56.55 1p8x s PHE 733 Cb 0.18 -1.61 0.10 0.00 0.51 0.00 0.00 43.02 42.20 1p8x s PHE 733 CO 0.29 0.52 1.17 -1.17 0.70 0.00 0.00 175.22 176.73 1p8x s LEU 734 N -2.48 4.53 0.00 -0.37 2.96 -0.37 -4.76 118.68 118.19 1p8x s LEU 734 Ca 0.30 -1.66 0.00 0.00 -0.22 0.00 0.00 54.13 52.55 1p8x s LEU 734 Cb -0.12 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 44.13 1p8x s LEU 734 CO 0.22 -1.26 0.00 0.61 -1.32 0.00 0.00 176.35 174.60 1p8x n GLY 735 N 5.75 -1.22 3.38 7.98 0.00 -1.26 -4.80 105.19 115.02 1p8x n GLY 735 Ca 0.20 -1.35 -0.11 0.00 0.00 0.00 0.00 46.02 44.76 1p8x n GLY 735 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1p8x s TRP 736 N -2.13 -0.67 -0.22 1.61 -0.11 -1.26 -4.49 118.94 111.68 1p8x s TRP 736 Ca 0.00 1.46 -0.02 0.00 1.22 0.00 0.00 56.10 58.75 1p8x s TRP 736 Cb 0.00 0.31 0.01 0.00 -1.50 0.00 0.00 33.47 32.28 1p8x s TRP 736 CO 0.00 -0.35 -0.08 0.34 -4.62 0.00 0.00 176.95 172.24 1p8x s ASP 737 N 1.05 4.04 0.53 5.86 3.68 -1.26 -4.99 116.67 125.57 1p8x s ASP 737 Ca -0.06 -0.56 0.19 0.00 2.13 0.00 0.00 52.55 54.24 1p8x s ASP 737 Cb -0.06 -1.66 1.33 0.00 -1.45 0.00 0.00 42.92 41.08 1p8x s ASP 737 CO -0.09 -0.04 2.12 0.44 0.13 0.00 0.00 175.17 177.73 1p8x h ASP 738 N 8.05 0.00 -0.63 -0.34 5.19 -2.02 -1.76 116.42 124.91 1p8x h ASP 738 Ca -0.40 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 55.89 1p8x h ASP 738 Cb 1.14 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.59 1p8x h ASP 738 CO 0.61 0.00 0.14 0.47 -3.12 0.00 0.00 179.24 177.33 1p8x n ASP 739 N -4.46 5.07 -0.07 6.45 8.00 -1.26 -4.57 116.55 125.72 1p8x n ASP 739 Ca -0.00 -3.11 0.03 0.00 0.71 0.00 0.00 54.79 52.42 1p8x n ASP 739 Cb 0.20 -0.71 0.37 0.00 -0.02 0.00 0.00 41.12 40.97 1p8x n ASP 739 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1p8x h TYR 740 N 3.08 0.64 -0.03 1.24 5.03 -1.74 -3.56 116.97 121.64 1p8x h TYR 740 Ca 0.14 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.47 1p8x h TYR 740 Cb 2.12 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 40.18 1p8x h TYR 740 CO 1.15 0.40 0.00 0.91 -1.32 0.00 0.00 178.16 179.30