#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ce8 s TYR 435 N 0.00 2.51 0.05 1.24 1.51 -1.26 -5.14 117.35 116.27 2ce8 s TYR 435 Ca 0.00 -0.28 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 2ce8 s TYR 435 Cb 0.00 -1.35 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 2ce8 s TYR 435 CO 0.00 0.36 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.66 2ce8 s PHE 436 N -1.10 0.75 0.03 2.71 0.40 -1.26 -5.16 117.98 114.34 2ce8 s PHE 436 Ca 0.17 -0.57 0.04 0.00 -0.60 0.00 0.00 56.93 55.97 2ce8 s PHE 436 Cb -0.10 -0.44 -0.02 0.00 0.51 0.00 0.00 43.02 42.96 2ce8 s PHE 436 CO 0.09 -0.08 -0.11 -0.65 0.70 0.00 0.00 175.22 175.17 2ce8 s GLN 437 N -1.97 0.74 0.73 0.44 -0.21 -1.26 -5.06 119.66 113.06 2ce8 s GLN 437 Ca -0.06 -0.63 -0.14 0.00 0.02 0.00 0.00 55.36 54.55 2ce8 s GLN 437 Cb -0.07 -0.68 0.04 0.00 1.00 0.00 0.00 33.01 33.29 2ce8 s GLN 437 CO -0.00 0.17 1.14 0.20 -2.12 0.00 0.00 175.29 174.68 2ce8 s GLY 438 N -1.01 2.10 -0.16 3.09 0.00 -1.26 -5.04 107.32 105.05 2ce8 s GLY 438 Ca -0.01 0.63 -0.05 0.00 0.00 0.00 0.00 44.72 45.29 2ce8 s GLY 438 CO 0.01 1.00 0.29 0.00 0.00 0.00 0.00 173.10 174.40 2ce8 s ALA 439 N -2.33 -0.66 0.35 3.20 0.00 -1.26 -5.15 121.76 115.91 2ce8 s ALA 439 Ca 0.69 0.93 -0.27 0.00 0.00 0.00 0.00 51.96 53.31 2ce8 s ALA 439 Cb -0.23 -1.16 -0.09 0.00 0.00 0.00 0.00 23.12 21.63 2ce8 s ALA 439 CO 0.46 -0.79 1.17 1.41 0.00 0.00 0.00 175.76 178.02 2ce8 s MET 440 N 2.45 4.30 0.00 0.00 1.75 -1.26 -5.05 119.30 121.49 2ce8 s MET 440 Ca 0.03 1.90 0.00 0.00 -1.25 0.00 0.00 55.69 56.36 2ce8 s MET 440 Cb -0.13 -2.91 0.00 0.00 2.84 0.00 0.00 34.83 34.64 2ce8 s MET 440 CO -0.10 -0.13 0.00 0.41 -0.65 0.00 0.00 175.02 174.55 2ce8 n GLY 441 N 0.82 4.59 3.50 2.11 0.00 -1.26 -5.18 105.19 109.77 2ce8 n GLY 441 Ca 0.02 -1.92 -0.15 0.00 0.00 0.00 0.00 46.02 43.97 2ce8 n GLY 441 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ce8 s SER 442 N -0.63 -0.61 0.03 1.61 0.15 -1.26 -5.18 113.70 107.82 2ce8 s SER 442 Ca 0.00 0.99 -0.02 0.00 0.70 0.00 0.00 55.95 57.62 2ce8 s SER 442 Cb 0.00 0.97 -0.02 0.00 -1.71 0.00 0.00 66.02 65.26 2ce8 s SER 442 CO 0.00 -0.36 0.01 -0.54 1.20 0.00 0.00 173.24 173.56 2ce8 s LYS 443 N -0.28 0.46 0.34 5.44 1.02 -1.26 -5.13 119.74 120.33 2ce8 s LYS 443 Ca -0.05 -0.77 -0.26 0.00 0.02 0.00 0.00 55.97 54.91 2ce8 s LYS 443 Cb -0.03 0.17 -0.13 0.00 -0.52 0.00 0.00 37.83 37.32 2ce8 s LYS 443 CO 0.04 -0.09 0.93 -2.30 -0.92 0.00 0.00 175.35 173.01 2ce8 n PRO 444 N 1.04 1.21 -1.64 -1.68 -0.02 -1.26 -4.77 135.00 127.88 2ce8 n PRO 444 Ca -0.20 0.43 -0.58 0.00 -2.02 0.00 0.00 63.50 61.12 2ce8 n PRO 444 Cb 0.57 -1.83 -0.08 0.00 -0.02 0.00 0.00 33.50 32.15 2ce8 n PRO 444 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ce8 n ALA 445 N -0.14 -1.34 -0.09 3.55 0.00 -1.26 -4.84 120.51 116.40 2ce8 n ALA 445 Ca 0.10 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2ce8 n ALA 445 Cb 0.35 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2ce8 n ALA 445 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2ce8 n TYR 446 N 3.49 0.00 -4.14 0.00 0.18 -1.26 -5.02 117.16 110.41 2ce8 n TYR 446 Ca 0.24 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.72 2ce8 n TYR 446 Cb 0.10 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 38.90 2ce8 n TYR 446 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2ce8 s SER 447 N -0.46 2.56 -0.02 9.48 0.15 -1.26 -0.43 113.70 123.72 2ce8 s SER 447 Ca 0.00 -0.45 0.03 0.00 0.70 0.00 0.00 55.95 56.23 2ce8 s SER 447 Cb 0.00 -1.12 -0.00 0.00 -1.71 0.00 0.00 66.02 63.19 2ce8 s SER 447 CO 0.00 -0.04 -0.12 -0.36 1.20 0.00 0.00 173.24 173.92 2ce8 s PHE 448 N 1.36 1.21 -0.12 3.44 0.40 -0.63 -1.48 117.98 122.15 2ce8 s PHE 448 Ca 0.01 -0.29 -0.19 0.00 -0.60 0.00 0.00 56.93 55.86 2ce8 s PHE 448 Cb -0.13 -0.82 -0.04 0.00 0.51 0.00 0.00 43.02 42.54 2ce8 s PHE 448 CO -0.08 -0.09 0.53 -1.58 0.70 0.00 0.00 175.22 174.70 2ce8 s HIS 449 N -0.01 3.50 -0.14 0.36 2.46 0.09 -0.76 115.29 120.78 2ce8 s HIS 449 Ca -0.00 0.94 -0.01 0.00 0.47 0.00 0.00 55.06 56.46 2ce8 s HIS 449 Cb -0.08 -2.62 -0.01 0.00 -0.13 0.00 0.00 32.58 29.73 2ce8 s HIS 449 CO 0.01 0.10 -0.12 0.08 -2.47 0.00 0.00 174.74 172.33 2ce8 s VAL 450 N 0.86 3.06 0.50 0.89 1.01 0.12 -0.94 120.40 125.89 2ce8 s VAL 450 Ca 0.28 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.67 2ce8 s VAL 450 Cb -0.16 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 33.96 2ce8 s VAL 450 CO 0.11 0.51 0.68 -0.89 0.00 0.00 0.00 175.10 175.52 2ce8 s THR 451 N 0.50 2.73 0.33 3.92 2.01 -0.67 -1.85 115.64 122.61 2ce8 s THR 451 Ca -0.08 -0.89 0.12 0.00 0.31 0.00 0.00 61.69 61.15 2ce8 s THR 451 Cb -0.16 -2.84 0.32 0.00 0.01 0.00 0.00 72.50 69.83 2ce8 s THR 451 CO 0.04 0.00 1.69 0.00 -0.69 0.00 0.00 174.62 175.66 2ce8 h ALA 452 N 0.35 1.87 -1.26 7.40 0.00 -1.91 0.35 119.26 126.07 2ce8 h ALA 452 Ca -0.39 0.16 0.38 0.00 0.00 0.00 0.00 54.91 55.07 2ce8 h ALA 452 Cb 1.28 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 19.06 2ce8 h ALA 452 CO 0.46 -0.44 0.82 -0.44 0.00 0.00 0.00 179.25 179.65 2ce8 h ASP 453 N 0.43 0.27 0.00 0.00 3.32 -1.94 -3.45 116.42 115.06 2ce8 h ASP 453 Ca 0.69 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.85 2ce8 h ASP 453 Cb 1.47 0.08 0.00 0.00 0.22 0.00 0.00 39.33 41.10 2ce8 h ASP 453 CO -0.55 -0.08 0.00 0.61 -1.72 0.00 0.00 179.24 177.50 2ce8 n GLY 454 N -1.54 0.87 3.68 2.75 0.00 0.11 -5.05 105.19 106.01 2ce8 n GLY 454 Ca 0.33 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.84 2ce8 n GLY 454 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ce8 n GLN 455 N -2.00 1.77 -4.19 1.61 0.00 -1.26 -4.82 117.38 108.49 2ce8 n GLN 455 Ca 0.00 0.64 -0.34 0.00 -0.00 0.00 0.00 57.00 57.30 2ce8 n GLN 455 Cb 0.00 -2.46 -0.10 0.00 0.00 0.00 0.00 30.24 27.68 2ce8 n GLN 455 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 2ce8 s MET 456 N 4.08 3.69 -0.05 3.69 -1.94 -1.26 -1.67 119.30 125.85 2ce8 s MET 456 Ca 0.96 -0.40 0.03 0.00 -1.71 0.00 0.00 55.69 54.57 2ce8 s MET 456 Cb -0.83 -3.05 0.00 0.00 2.01 0.00 0.00 34.83 32.97 2ce8 s MET 456 CO 0.56 0.36 -0.14 -0.65 -0.01 0.00 0.00 175.02 175.14 2ce8 s GLN 457 N 0.09 1.61 0.31 2.03 -1.52 -0.12 -4.97 119.66 117.10 2ce8 s GLN 457 Ca 0.03 -0.47 -0.30 0.00 -1.95 0.00 0.00 55.36 52.67 2ce8 s GLN 457 Cb -0.13 -1.38 -0.11 0.00 -0.22 0.00 0.00 33.01 31.17 2ce8 s GLN 457 CO 0.01 0.13 1.57 -1.25 -0.25 0.00 0.00 175.29 175.50 2ce8 s PRO 458 N 0.33 4.12 0.08 2.91 0.04 -1.26 -0.73 135.00 140.49 2ce8 s PRO 458 Ca -0.08 2.58 -0.31 0.00 0.04 0.00 0.00 61.00 63.23 2ce8 s PRO 458 Cb -0.13 -3.01 -0.07 0.00 0.04 0.00 0.00 34.50 31.33 2ce8 s PRO 458 CO 0.03 -0.61 1.39 0.08 0.04 0.00 0.00 177.00 177.92 2ce8 s VAL 459 N -0.24 3.47 -0.46 -0.36 1.01 -0.55 -4.79 120.40 118.48 2ce8 s VAL 459 Ca 0.61 1.01 -0.25 0.00 0.00 0.00 0.00 61.98 63.35 2ce8 s VAL 459 Cb -0.48 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.28 2ce8 s VAL 459 CO 0.51 0.05 0.90 -2.16 0.00 0.00 0.00 175.10 174.41 2ce8 s PRO 460 N 1.52 3.51 0.25 2.72 0.04 -1.26 -5.00 135.00 136.77 2ce8 s PRO 460 Ca 0.64 0.11 -0.30 0.00 0.04 0.00 0.00 61.00 61.50 2ce8 s PRO 460 Cb -0.35 -3.93 -0.09 0.00 0.04 0.00 0.00 34.50 30.17 2ce8 s PRO 460 CO 0.29 -1.21 1.17 -0.06 0.04 0.00 0.00 177.00 177.23 2ce8 s PHE 461 N 3.69 3.44 0.91 0.56 2.99 -1.26 -5.03 117.98 123.28 2ce8 s PHE 461 Ca 0.36 1.54 -0.13 0.00 0.00 0.00 0.00 56.93 58.70 2ce8 s PHE 461 Cb -0.10 -3.40 0.14 0.00 0.00 0.00 0.00 43.02 39.66 2ce8 s PHE 461 CO 0.26 -1.01 1.16 -1.25 -0.00 0.00 0.00 175.22 174.38 2ce8 s PRO 462 N -0.96 1.12 0.56 0.24 0.04 -1.26 -4.94 135.00 129.79 2ce8 s PRO 462 Ca 0.49 0.16 0.28 0.00 0.04 0.00 0.00 61.00 61.97 2ce8 s PRO 462 Cb -0.33 -1.85 1.63 0.00 0.04 0.00 0.00 34.50 33.99 2ce8 s PRO 462 CO 0.41 -2.19 2.17 -1.35 0.04 0.00 0.00 177.00 176.08 2ce8 h PRO 463 N -1.49 0.00 -0.63 0.56 0.11 -1.98 -2.27 132.00 126.29 2ce8 h PRO 463 Ca -0.49 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 2ce8 h PRO 463 Cb 1.32 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.40 2ce8 h PRO 463 CO 0.59 0.06 0.06 -0.40 -0.21 0.00 0.00 178.00 178.09 2ce8 n ASP 464 N -3.81 5.46 -0.23 -2.05 5.75 -1.26 -4.50 116.55 115.91 2ce8 n ASP 464 Ca -0.03 -2.97 -0.07 0.00 -0.01 0.00 0.00 54.79 51.71 2ce8 n ASP 464 Cb 0.15 -0.70 0.07 0.00 -1.03 0.00 0.00 41.12 39.61 2ce8 n ASP 464 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ce8 h ALA 465 N 3.69 0.96 0.00 2.12 0.00 -1.77 -3.36 119.26 120.89 2ce8 h ALA 465 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2ce8 h ALA 465 Cb 2.03 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2ce8 h ALA 465 CO 0.54 0.66 0.00 1.28 0.00 0.00 0.00 179.25 181.73 2ce8 n LEU 466 N -4.22 0.53 -3.81 0.00 4.77 -1.26 -4.71 117.00 108.30 2ce8 n LEU 466 Ca 0.05 -0.69 -0.13 0.00 -0.03 0.00 0.00 56.01 55.21 2ce8 n LEU 466 Cb 0.28 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.23 2ce8 n LEU 466 CO 0.43 0.13 -0.27 -0.63 -1.33 0.00 0.00 177.39 175.72 2ce8 s ILE 467 N -0.33 -0.02 0.00 -0.08 -1.09 -1.26 -4.96 121.20 113.46 2ce8 s ILE 467 Ca 0.00 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.50 2ce8 s ILE 467 Cb 0.00 -0.15 0.00 0.00 -1.58 0.00 0.00 42.46 40.73 2ce8 s ILE 467 CO 0.00 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.35 2ce8 n GLY 468 N 3.52 3.52 3.67 6.18 0.00 -1.26 -4.50 105.19 116.32 2ce8 n GLY 468 Ca -0.18 -0.95 -0.50 0.00 0.00 0.00 0.00 46.02 44.39 2ce8 n GLY 468 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ce8 n PRO 469 N -1.22 1.88 -0.78 1.61 -0.02 -1.26 -1.53 135.00 133.67 2ce8 n PRO 469 Ca 0.00 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2ce8 n PRO 469 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 2ce8 n PRO 469 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ce8 n GLY 470 N 3.87 0.73 3.60 -1.23 0.00 -1.26 -5.02 105.19 105.88 2ce8 n GLY 470 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 2ce8 n GLY 470 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ce8 s ILE 471 N -2.68 5.29 0.64 -0.61 -1.09 -0.58 -4.91 121.20 117.26 2ce8 s ILE 471 Ca 0.00 0.25 -0.17 0.00 -2.23 0.00 0.00 60.65 58.49 2ce8 s ILE 471 Cb 0.00 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.29 2ce8 s ILE 471 CO 0.00 0.24 0.90 -2.65 -1.23 0.00 0.00 174.94 172.20 2ce8 n PRO 472 N 5.02 0.71 -0.07 2.79 -0.02 -1.26 -4.73 135.00 137.44 2ce8 n PRO 472 Ca -0.13 0.29 -0.08 0.00 -2.02 0.00 0.00 63.50 61.56 2ce8 n PRO 472 Cb 0.52 -2.13 -0.12 0.00 -0.02 0.00 0.00 33.50 31.76 2ce8 n PRO 472 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2ce8 n ARG 473 N -1.17 1.53 -3.57 -0.52 1.74 0.14 -4.96 116.66 109.85 2ce8 n ARG 473 Ca 0.13 -0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 57.05 2ce8 n ARG 473 Cb 0.48 -1.38 -0.06 0.00 -1.02 0.00 0.00 32.46 30.48 2ce8 n ARG 473 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2ce8 s HIS 474 N -2.36 -0.68 -0.27 -1.55 5.04 -1.02 -4.77 115.29 109.68 2ce8 s HIS 474 Ca -0.08 1.39 -0.03 0.00 -1.54 0.00 0.00 55.06 54.80 2ce8 s HIS 474 Cb 0.04 0.36 0.03 0.00 0.04 0.00 0.00 32.58 33.05 2ce8 s HIS 474 CO 0.60 -0.50 -0.02 0.00 -2.34 0.00 0.00 174.74 172.48 2ce8 s ALA 475 N -0.58 2.80 -0.28 1.58 0.00 -1.26 0.11 121.76 124.13 2ce8 s ALA 475 Ca -0.06 -1.52 -0.14 0.00 0.00 0.00 0.00 51.96 50.24 2ce8 s ALA 475 Cb -0.02 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 2ce8 s ALA 475 CO 0.06 -0.93 0.33 0.50 0.00 0.00 0.00 175.76 175.72 2ce8 s ARG 476 N 1.35 3.95 -0.02 0.00 3.52 0.35 -4.90 118.95 123.20 2ce8 s ARG 476 Ca -0.00 -0.09 -0.30 0.00 -0.13 0.00 0.00 55.73 55.21 2ce8 s ARG 476 Cb -0.17 -3.68 -0.07 0.00 -1.56 0.00 0.00 34.95 29.47 2ce8 s ARG 476 CO -0.02 -0.29 1.85 -0.65 -0.81 0.00 0.00 175.30 175.38 2ce8 s GLN 477 N 2.00 4.08 -0.05 5.12 -0.21 -1.26 -0.30 119.66 129.04 2ce8 s GLN 477 Ca 0.13 2.38 0.08 0.00 0.02 0.00 0.00 55.36 57.97 2ce8 s GLN 477 Cb -0.16 -4.10 -0.11 0.00 1.00 0.00 0.00 33.01 29.63 2ce8 s GLN 477 CO 0.10 -1.00 0.09 0.44 -2.12 0.00 0.00 175.29 172.81 2ce8 n ILE 478 N 5.69 0.33 -3.83 1.08 -5.35 0.94 -4.92 119.36 113.30 2ce8 n ILE 478 Ca 0.19 -0.28 -0.12 0.00 -0.27 0.00 0.00 62.75 62.27 2ce8 n ILE 478 Cb 0.42 -0.35 -0.13 0.00 -1.74 0.00 0.00 39.64 37.84 2ce8 n ILE 478 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2ce8 s ASN 479 N -3.59 -0.12 -0.14 7.28 0.01 -1.14 -3.05 114.94 114.19 2ce8 s ASN 479 Ca -0.04 0.22 -0.01 0.00 -0.71 0.00 0.00 52.86 52.33 2ce8 s ASN 479 Cb 0.04 0.26 -0.01 0.00 0.41 0.00 0.00 41.25 41.94 2ce8 s ASN 479 CO 0.34 -0.07 -0.12 -0.89 -1.51 0.00 0.00 177.10 174.85 2ce8 s THR 480 N -0.05 3.09 -0.43 1.60 2.01 -1.26 -0.85 115.64 119.75 2ce8 s THR 480 Ca -0.01 -0.64 -0.07 0.00 0.31 0.00 0.00 61.69 61.28 2ce8 s THR 480 Cb -0.02 -2.31 0.10 0.00 0.01 0.00 0.00 72.50 70.29 2ce8 s THR 480 CO 0.00 0.51 0.27 -0.76 -0.69 0.00 0.00 174.62 173.95 2ce8 s LEU 481 N 0.47 5.34 -1.36 4.42 1.43 0.46 -4.23 118.68 125.22 2ce8 s LEU 481 Ca -0.09 -1.81 -0.14 0.00 -1.03 0.00 0.00 54.13 51.06 2ce8 s LEU 481 Cb -0.16 -1.94 0.09 0.00 0.03 0.00 0.00 46.19 44.21 2ce8 s LEU 481 CO 0.04 -0.59 1.94 0.59 0.23 0.00 0.00 176.35 178.56 2ce8 n ASN 482 N 4.81 4.54 -0.08 2.29 5.03 -1.26 -1.08 115.26 129.50 2ce8 n ASN 482 Ca -0.07 -2.93 -0.08 0.00 0.87 0.00 0.00 54.58 52.37 2ce8 n ASN 482 Cb 0.42 -1.64 -0.01 0.00 -1.02 0.00 0.00 39.78 37.52 2ce8 n ASN 482 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 2ce8 h HIS 483 N 6.53 0.32 0.00 3.10 2.76 -1.90 -3.48 115.15 122.48 2ce8 h HIS 483 Ca 0.48 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.66 2ce8 h HIS 483 Cb 0.73 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.59 2ce8 h HIS 483 CO 1.38 0.19 0.00 0.41 -1.30 0.00 0.00 177.93 178.60 2ce8 n GLY 484 N -1.18 0.39 3.02 5.26 0.00 -0.26 -5.02 105.19 107.40 2ce8 n GLY 484 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2ce8 n GLY 484 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ce8 s GLU 485 N -0.93 0.39 0.01 1.61 2.56 -1.26 -4.98 118.70 116.11 2ce8 s GLU 485 Ca 0.00 -0.70 -0.37 0.00 0.00 0.00 0.00 54.97 53.90 2ce8 s GLU 485 Cb 0.00 0.14 -0.16 0.00 2.00 0.00 0.00 34.13 36.11 2ce8 s GLU 485 CO 0.00 -0.07 1.42 0.28 -0.56 0.00 0.00 175.26 176.33 2ce8 n VAL 486 N 1.29 0.06 -3.14 3.70 0.31 -1.26 -4.14 118.33 115.15 2ce8 n VAL 486 Ca -0.22 -0.01 -0.45 0.00 -0.01 0.00 0.00 64.34 63.65 2ce8 n VAL 486 Cb 0.56 -0.91 -0.04 0.00 -0.91 0.00 0.00 33.84 32.55 2ce8 n VAL 486 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2ce8 s VAL 487 N 1.11 5.00 -0.91 2.52 1.01 -0.99 -4.34 120.40 123.80 2ce8 s VAL 487 Ca 0.87 -1.44 0.26 0.00 0.00 0.00 0.00 61.98 61.67 2ce8 s VAL 487 Cb -0.98 -4.52 0.06 0.00 0.00 0.00 0.00 36.38 30.95 2ce8 s VAL 487 CO 0.50 -1.15 1.49 0.00 0.00 0.00 0.00 175.10 175.95 2ce8 s ALA 489 N -3.04 -0.86 0.02 0.00 0.00 -1.21 -4.62 121.76 112.04 2ce8 s ALA 489 Ca 0.10 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.08 2ce8 s ALA 489 Cb 0.17 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 2ce8 s ALA 489 CO 0.67 -0.17 -0.03 0.14 0.00 0.00 0.00 175.76 176.37 2ce8 s VAL 490 N 0.30 0.13 0.06 0.00 -7.23 -1.26 0.02 120.40 112.42 2ce8 s VAL 490 Ca -0.01 -0.81 -0.11 0.00 -1.81 0.00 0.00 61.98 59.24 2ce8 s VAL 490 Cb -0.03 -0.26 0.01 0.00 0.56 0.00 0.00 36.38 36.66 2ce8 s VAL 490 CO -0.01 -0.43 0.25 0.28 -0.31 0.00 0.00 175.10 174.89 2ce8 s THR 491 N -1.27 0.10 -0.02 5.32 -1.32 -0.55 -4.54 115.64 113.36 2ce8 s THR 491 Ca -0.14 -0.85 0.06 0.00 -1.21 0.00 0.00 61.69 59.56 2ce8 s THR 491 Cb -0.09 -1.03 -0.01 0.00 -1.51 0.00 0.00 72.50 69.86 2ce8 s THR 491 CO -0.01 -0.47 -0.19 -0.63 -2.21 0.00 0.00 174.62 171.12 2ce8 s ILE 492 N -2.92 1.50 0.73 5.08 1.01 -1.26 -0.10 121.20 125.25 2ce8 s ILE 492 Ca -0.02 -0.81 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 2ce8 s ILE 492 Cb 0.00 -1.25 0.04 0.00 0.01 0.00 0.00 42.46 41.26 2ce8 s ILE 492 CO -0.06 0.43 1.10 -0.94 0.00 0.00 0.00 174.94 175.47 2ce8 s SER 493 N -0.42 4.68 -0.19 3.58 1.04 -0.51 -4.93 113.70 116.96 2ce8 s SER 493 Ca 0.07 1.92 0.01 0.00 0.48 0.00 0.00 55.95 58.43 2ce8 s SER 493 Cb -0.08 -2.54 0.04 0.00 0.10 0.00 0.00 66.02 63.55 2ce8 s SER 493 CO -0.01 -1.92 -0.11 0.21 0.98 0.00 0.00 173.24 172.40 2ce8 s ASN 494 N -3.00 3.28 0.89 7.02 2.47 -1.26 -3.08 114.94 121.26 2ce8 s ASN 494 Ca 0.64 -0.82 -0.11 0.00 0.42 0.00 0.00 52.86 52.99 2ce8 s ASN 494 Cb -0.19 -1.23 0.13 0.00 -1.45 0.00 0.00 41.25 38.51 2ce8 s ASN 494 CO 0.50 -0.13 1.11 -2.16 -3.72 0.00 0.00 177.10 172.70 2ce8 s PRO 495 N 1.41 1.25 -0.07 0.43 0.04 -1.26 -4.61 135.00 132.18 2ce8 s PRO 495 Ca -0.00 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 61.95 2ce8 s PRO 495 Cb -0.16 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2ce8 s PRO 495 CO -0.09 -2.36 1.49 0.99 0.04 0.00 0.00 177.00 177.07 2ce8 s THR 496 N -2.77 3.80 0.24 1.26 2.01 -1.18 -4.61 115.64 114.39 2ce8 s THR 496 Ca 0.64 1.03 0.00 0.00 0.31 0.00 0.00 61.69 63.67 2ce8 s THR 496 Cb -0.20 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.64 2ce8 s THR 496 CO 0.58 -0.07 0.00 -1.14 -0.69 0.00 0.00 174.62 173.30 2ce8 n ARG 497 N 6.57 0.00 -4.40 4.92 0.63 -1.26 -4.92 116.66 118.19 2ce8 n ARG 497 Ca 0.15 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.75 2ce8 n ARG 497 Cb 0.43 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.25 2ce8 n ARG 497 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2ce8 s HIS 498 N -2.00 3.03 -0.04 -0.14 3.76 -1.26 -1.05 115.29 117.59 2ce8 s HIS 498 Ca 0.00 0.07 0.02 0.00 -0.15 0.00 0.00 55.06 55.00 2ce8 s HIS 498 Cb 0.00 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.97 2ce8 s HIS 498 CO 0.00 0.42 -0.08 0.08 -0.85 0.00 0.00 174.74 174.31 2ce8 s VAL 499 N -0.97 3.55 -0.18 -0.90 1.01 0.04 -1.42 120.40 121.53 2ce8 s VAL 499 Ca 0.16 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 2ce8 s VAL 499 Cb -0.11 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 2ce8 s VAL 499 CO 0.06 0.52 -0.08 -0.31 0.00 0.00 0.00 175.10 175.29 2ce8 s TYR 500 N -0.86 2.91 -0.13 5.22 1.51 0.86 -1.04 117.35 125.82 2ce8 s TYR 500 Ca 0.14 -0.74 -0.00 0.00 -1.01 0.00 0.00 57.07 55.45 2ce8 s TYR 500 Cb -0.11 -1.98 -0.02 0.00 -0.11 0.00 0.00 41.96 39.74 2ce8 s TYR 500 CO 0.03 -0.35 -0.12 0.95 -1.11 0.00 0.00 175.55 174.96 2ce8 s THR 501 N 0.87 3.17 -0.29 -0.71 -4.23 -0.31 -1.48 115.64 112.65 2ce8 s THR 501 Ca -0.02 -0.62 -0.11 0.00 -1.18 0.00 0.00 61.69 59.76 2ce8 s THR 501 Cb -0.15 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 2ce8 s THR 501 CO 0.01 0.52 0.19 -0.83 -0.54 0.00 0.00 174.62 173.97 2ce8 s GLY 502 N 0.29 1.93 0.00 3.99 0.00 0.10 -0.88 107.32 112.75 2ce8 s GLY 502 Ca -0.09 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.47 2ce8 s GLY 502 CO 0.05 0.67 0.00 0.61 0.00 0.00 0.00 173.10 174.43 2ce8 n GLY 503 N 5.06 1.53 3.11 0.20 0.00 -0.48 -1.69 105.19 112.91 2ce8 n GLY 503 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 2ce8 n GLY 503 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ce8 s LYS 504 N 3.82 2.08 0.00 1.61 2.20 -1.26 -0.78 119.74 127.41 2ce8 s LYS 504 Ca 0.00 -1.54 0.00 0.00 -0.36 0.00 0.00 55.97 54.07 2ce8 s LYS 504 Cb 0.00 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 2ce8 s LYS 504 CO 0.00 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.62 2ce8 n GLY 505 N 4.49 0.87 3.57 5.54 0.00 -0.49 -4.77 105.19 114.40 2ce8 n GLY 505 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 2ce8 n GLY 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ce8 s VAL 507 N 0.86 4.22 0.06 0.00 1.01 -0.41 -1.38 120.40 124.74 2ce8 s VAL 507 Ca -0.04 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2ce8 s VAL 507 Cb -0.05 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2ce8 s VAL 507 CO -0.07 0.44 0.13 -0.54 0.00 0.00 0.00 175.10 175.05 2ce8 s LYS 508 N 0.79 3.12 -0.12 2.72 1.02 -0.06 -0.29 119.74 126.93 2ce8 s LYS 508 Ca 0.01 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.46 2ce8 s LYS 508 Cb -0.14 -2.87 -0.01 0.00 -0.52 0.00 0.00 37.83 34.29 2ce8 s LYS 508 CO 0.02 0.60 -0.17 0.08 -0.92 0.00 0.00 175.35 174.96 2ce8 s VAL 509 N -1.40 2.63 -0.03 3.17 1.01 -0.11 -1.17 120.40 124.51 2ce8 s VAL 509 Ca 0.30 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.52 2ce8 s VAL 509 Cb -0.12 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 2ce8 s VAL 509 CO 0.23 0.54 -0.19 0.26 0.00 0.00 0.00 175.10 175.93 2ce8 s TRP 510 N 0.42 1.80 -0.43 5.22 0.52 -0.21 0.34 118.94 126.61 2ce8 s TRP 510 Ca -0.13 -0.44 -0.14 0.00 0.02 0.00 0.00 56.10 55.40 2ce8 s TRP 510 Cb -0.17 -1.19 0.04 0.00 -1.15 0.00 0.00 33.47 31.01 2ce8 s TRP 510 CO 0.06 -0.11 0.32 0.34 0.02 0.00 0.00 176.95 177.58 2ce8 s ASP 511 N -0.20 6.05 0.00 2.95 -1.08 -1.26 -0.78 116.67 122.35 2ce8 s ASP 511 Ca 0.01 -1.08 0.24 0.00 -0.52 0.00 0.00 52.55 51.20 2ce8 s ASP 511 Cb -0.10 -2.14 0.66 0.00 -1.46 0.00 0.00 42.92 39.88 2ce8 s ASP 511 CO 0.01 -0.51 1.52 2.30 0.52 0.00 0.00 175.17 179.01 2ce8 n ILE 512 N 5.14 0.18 -1.64 4.11 -5.35 -0.22 -4.72 119.36 116.87 2ce8 n ILE 512 Ca -0.12 -0.43 -0.31 0.00 -0.27 0.00 0.00 62.75 61.63 2ce8 n ILE 512 Cb 0.46 0.73 -0.08 0.00 -1.74 0.00 0.00 39.64 39.01 2ce8 n ILE 512 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2ce8 n SER 513 N 0.70 2.48 0.00 7.28 3.41 -1.25 -4.41 113.62 121.84 2ce8 n SER 513 Ca 0.17 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 56.14 2ce8 n SER 513 Cb 0.44 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.90 2ce8 n SER 513 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ce8 n HIS 514 N 13.27 0.00 -0.71 7.33 1.44 -1.26 -5.17 115.22 130.12 2ce8 n HIS 514 Ca 0.46 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.17 2ce8 n HIS 514 Cb 0.45 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.56 2ce8 n HIS 514 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 2ce8 n PRO 515 N -0.46 -0.54 0.00 -1.40 -0.02 -1.26 -4.94 135.00 126.37 2ce8 n PRO 515 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2ce8 n PRO 515 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2ce8 n PRO 515 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ce8 n GLY 516 N 3.59 -0.83 3.77 -1.23 0.00 -1.17 -5.02 105.19 104.30 2ce8 n GLY 516 Ca 0.00 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 2ce8 n GLY 516 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ce8 s ASN 517 N -4.00 4.24 0.39 1.61 0.02 -1.26 -4.03 114.94 111.90 2ce8 s ASN 517 Ca 0.00 -1.48 0.04 0.00 -1.02 0.00 0.00 52.86 50.40 2ce8 s ASN 517 Cb 0.00 0.30 -0.05 0.00 0.02 0.00 0.00 41.25 41.52 2ce8 s ASN 517 CO 0.00 -0.83 0.06 -0.54 0.02 0.00 0.00 177.10 175.81 2ce8 s LYS 518 N -3.95 1.86 0.00 -0.60 -0.14 -1.26 -5.07 119.74 110.58 2ce8 s LYS 518 Ca 0.18 -2.09 0.00 0.00 -1.36 0.00 0.00 55.97 52.71 2ce8 s LYS 518 Cb 0.02 -1.04 0.00 0.00 -1.68 0.00 0.00 37.83 35.13 2ce8 s LYS 518 CO 0.10 -0.26 0.00 0.43 -0.76 0.00 0.00 175.35 174.86 2ce8 n SER 519 N -0.98 0.00 -4.05 2.83 7.64 -1.26 -4.77 113.62 113.04 2ce8 n SER 519 Ca -0.06 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.53 2ce8 n SER 519 Cb 0.66 0.00 0.28 0.00 -1.01 0.00 0.00 64.21 64.14 2ce8 n SER 519 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2ce8 s PRO 520 N 0.00 -1.95 0.25 1.43 0.04 -1.26 -4.95 135.00 128.56 2ce8 s PRO 520 Ca 0.00 0.56 0.23 0.00 0.04 0.00 0.00 61.00 61.83 2ce8 s PRO 520 Cb 0.00 -1.46 0.12 0.00 0.04 0.00 0.00 34.50 33.21 2ce8 s PRO 520 CO 0.00 -4.34 1.21 -0.39 0.04 0.00 0.00 177.00 173.53 2ce8 h VAL 521 N -3.05 0.00 -3.03 -0.36 -1.51 -0.47 -3.49 116.25 104.35 2ce8 h VAL 521 Ca -0.56 -0.95 0.06 0.00 -1.23 0.00 0.00 66.70 64.03 2ce8 h VAL 521 Cb 1.34 1.58 -0.05 0.00 -2.13 0.00 0.00 31.29 32.03 2ce8 h VAL 521 CO 0.42 0.00 0.22 -0.55 -1.23 0.00 0.00 177.57 176.42 2ce8 s SER 522 N -5.45 -0.23 -0.03 4.19 0.15 -1.12 -5.02 113.70 106.19 2ce8 s SER 522 Ca 0.02 -0.66 -0.24 0.00 0.70 0.00 0.00 55.95 55.76 2ce8 s SER 522 Cb 0.09 0.73 0.05 0.00 -1.71 0.00 0.00 66.02 65.18 2ce8 s SER 522 CO 0.75 -1.37 0.53 0.00 1.20 0.00 0.00 173.24 174.35 2ce8 s GLN 523 N -3.80 0.92 -0.30 5.44 -2.07 -1.26 -0.93 119.66 117.65 2ce8 s GLN 523 Ca 0.12 0.04 0.02 0.00 -1.82 0.00 0.00 55.36 53.72 2ce8 s GLN 523 Cb -0.06 0.42 0.07 0.00 -1.09 0.00 0.00 33.01 32.36 2ce8 s GLN 523 CO 0.07 -0.28 -0.03 -0.51 -1.32 0.00 0.00 175.29 173.22 2ce8 s LEU 524 N -1.33 4.00 -0.17 2.60 1.43 0.61 -4.92 118.68 120.88 2ce8 s LEU 524 Ca -0.11 -1.65 -0.21 0.00 -1.03 0.00 0.00 54.13 51.13 2ce8 s LEU 524 Cb -0.02 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 2ce8 s LEU 524 CO 0.07 -0.27 0.63 -1.81 0.23 0.00 0.00 176.35 175.19 2ce8 s ASP 525 N 1.09 6.73 0.50 2.29 1.01 -1.26 -1.29 116.67 125.74 2ce8 s ASP 525 Ca -0.02 0.89 -0.12 0.00 0.71 0.00 0.00 52.55 54.01 2ce8 s ASP 525 Cb -0.20 -2.35 -0.06 0.00 1.01 0.00 0.00 42.92 41.32 2ce8 s ASP 525 CO -0.05 -0.23 0.91 0.00 0.21 0.00 0.00 175.17 176.00 2ce8 h LEU 527 N 0.68 -0.16 -8.43 0.00 3.38 -1.97 -3.35 115.31 105.44 2ce8 h LEU 527 Ca -0.46 0.03 -0.71 0.00 0.09 0.00 0.00 57.88 56.82 2ce8 h LEU 527 Cb 1.19 0.08 -0.20 0.00 0.09 0.00 0.00 40.66 41.81 2ce8 h LEU 527 CO 0.62 -0.08 -0.26 0.21 0.09 0.00 0.00 178.44 179.02 2ce8 s ASN 528 N -5.12 6.17 0.00 -0.43 3.84 -1.26 -4.93 114.94 113.20 2ce8 s ASN 528 Ca -0.14 -0.97 0.19 0.00 0.21 0.00 0.00 52.86 52.16 2ce8 s ASN 528 Cb 0.07 -2.21 1.15 0.00 -0.55 0.00 0.00 41.25 39.72 2ce8 s ASN 528 CO 0.67 -0.62 1.56 -2.11 -2.79 0.00 0.00 177.10 173.80 2ce8 n ARG 529 N 5.46 0.67 0.00 0.43 1.85 -1.26 -2.36 116.66 121.45 2ce8 n ARG 529 Ca -0.10 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.86 2ce8 n ARG 529 Cb 0.46 -1.45 -0.06 0.00 -1.05 0.00 0.00 32.46 30.36 2ce8 n ARG 529 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2ce8 n ASP 530 N -0.95 1.40 -4.71 2.89 8.00 -1.26 -4.06 116.55 117.86 2ce8 n ASP 530 Ca 0.14 -1.19 -0.37 0.00 0.71 0.00 0.00 54.79 54.09 2ce8 n ASP 530 Cb 0.07 0.77 -0.07 0.00 -0.02 0.00 0.00 41.12 41.87 2ce8 n ASP 530 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2ce8 s ASN 531 N -2.79 6.48 0.29 -2.24 0.01 -0.99 -4.84 114.94 110.86 2ce8 s ASN 531 Ca 0.12 0.56 -0.29 0.00 -0.71 0.00 0.00 52.86 52.54 2ce8 s ASN 531 Cb 0.17 -2.22 -0.10 0.00 0.41 0.00 0.00 41.25 39.52 2ce8 s ASN 531 CO 0.75 0.03 1.19 -0.31 -1.51 0.00 0.00 177.10 177.25 2ce8 s TYR 532 N 0.75 3.35 0.14 2.20 2.02 -1.26 -1.39 117.35 123.16 2ce8 s TYR 532 Ca 0.19 1.56 -0.30 0.00 -0.37 0.00 0.00 57.07 58.15 2ce8 s TYR 532 Cb -0.14 -3.46 -0.07 0.00 -0.40 0.00 0.00 41.96 37.89 2ce8 s TYR 532 CO 0.06 -1.15 0.94 0.42 -1.57 0.00 0.00 175.55 174.25 2ce8 s ILE 533 N -1.07 4.39 -0.09 2.71 1.09 0.04 -1.10 121.20 127.18 2ce8 s ILE 533 Ca 0.47 2.04 0.10 0.00 -1.10 0.00 0.00 60.65 62.16 2ce8 s ILE 533 Cb -0.35 -4.31 -0.14 0.00 -1.06 0.00 0.00 42.46 36.59 2ce8 s ILE 533 CO 0.46 0.38 0.25 0.54 -0.10 0.00 0.00 174.94 176.46 2ce8 n ARG 534 N 2.40 0.93 -3.61 2.79 5.12 0.49 -4.38 116.66 120.40 2ce8 n ARG 534 Ca 0.01 -0.07 -0.14 0.00 -1.93 0.00 0.00 57.85 55.71 2ce8 n ARG 534 Cb 0.49 -1.18 -0.07 0.00 -1.16 0.00 0.00 32.46 30.54 2ce8 n ARG 534 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2ce8 s SER 535 N -2.91 -0.69 -0.07 0.55 0.15 -0.90 -4.60 113.70 105.24 2ce8 s SER 535 Ca -0.02 1.23 -0.05 0.00 0.70 0.00 0.00 55.95 57.81 2ce8 s SER 535 Cb 0.06 1.22 0.03 0.00 -1.71 0.00 0.00 66.02 65.62 2ce8 s SER 535 CO 0.40 -0.30 0.18 0.00 1.20 0.00 0.00 173.24 174.72 2ce8 s LYS 537 N 0.55 0.55 0.15 0.00 -0.14 -0.28 -4.58 119.74 115.99 2ce8 s LYS 537 Ca -0.04 -0.19 -0.15 0.00 -1.36 0.00 0.00 55.97 54.22 2ce8 s LYS 537 Cb -0.05 -0.55 -0.07 0.00 -1.68 0.00 0.00 37.83 35.48 2ce8 s LYS 537 CO -0.03 0.09 0.57 -0.51 -0.76 0.00 0.00 175.35 174.72 2ce8 s LEU 538 N 0.06 4.36 0.46 3.17 1.43 -1.26 -0.11 118.68 126.79 2ce8 s LEU 538 Ca -0.00 1.13 -0.21 0.00 -1.03 0.00 0.00 54.13 54.02 2ce8 s LEU 538 Cb -0.05 -3.27 -0.09 0.00 0.03 0.00 0.00 46.19 42.82 2ce8 s LEU 538 CO -0.00 0.11 1.04 -0.76 0.23 0.00 0.00 176.35 176.97 2ce8 s LEU 539 N -1.88 3.94 0.38 1.79 1.43 -0.59 -4.96 118.68 118.79 2ce8 s LEU 539 Ca 0.37 1.97 0.27 0.00 -1.03 0.00 0.00 54.13 55.71 2ce8 s LEU 539 Cb -0.16 -4.44 1.30 0.00 0.03 0.00 0.00 46.19 42.93 2ce8 s LEU 539 CO 0.19 -0.69 1.40 -2.65 0.23 0.00 0.00 176.35 174.83 2ce8 n PRO 540 N -0.68 -0.04 -0.13 1.29 -0.02 -1.26 -0.59 135.00 133.57 2ce8 n PRO 540 Ca 0.08 1.15 0.02 0.00 -2.02 0.00 0.00 63.50 62.73 2ce8 n PRO 540 Cb 0.52 -2.21 0.07 0.00 -0.02 0.00 0.00 33.50 31.86 2ce8 n PRO 540 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2ce8 n ASP 541 N -4.62 1.43 -0.83 2.55 5.75 -1.26 -4.88 116.55 114.69 2ce8 n ASP 541 Ca 0.36 -2.10 -0.01 0.00 -0.01 0.00 0.00 54.79 53.02 2ce8 n ASP 541 Cb 1.34 -0.34 -0.01 0.00 -1.03 0.00 0.00 41.12 41.09 2ce8 n ASP 541 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ce8 n GLY 542 N 0.40 0.12 0.42 6.12 0.00 0.24 -4.68 105.19 107.81 2ce8 n GLY 542 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.17 2ce8 n GLY 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ce8 s THR 544 N -2.35 0.56 -0.09 0.00 2.01 -1.26 0.13 115.64 114.64 2ce8 s THR 544 Ca 0.16 -0.14 0.04 0.00 0.31 0.00 0.00 61.69 62.06 2ce8 s THR 544 Cb 0.16 -0.58 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 2ce8 s THR 544 CO 0.55 0.23 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.28 2ce8 s LEU 545 N 0.89 2.30 -0.18 4.42 2.96 -0.75 -1.55 118.68 126.77 2ce8 s LEU 545 Ca -0.11 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.28 2ce8 s LEU 545 Cb -0.14 -1.46 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 2ce8 s LEU 545 CO 0.00 0.21 0.05 -0.63 -1.32 0.00 0.00 176.35 174.66 2ce8 s ILE 546 N 0.07 4.60 -0.10 6.68 1.01 0.85 -0.78 121.20 133.53 2ce8 s ILE 546 Ca -0.09 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.49 2ce8 s ILE 546 Cb -0.15 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.25 2ce8 s ILE 546 CO 0.06 0.45 -0.17 -0.69 0.00 0.00 0.00 174.94 174.59 2ce8 s VAL 547 N 0.49 1.57 0.14 2.92 1.01 0.10 -1.13 120.40 125.51 2ce8 s VAL 547 Ca 0.02 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.37 2ce8 s VAL 547 Cb -0.13 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2ce8 s VAL 547 CO 0.01 0.45 -0.17 -0.83 0.00 0.00 0.00 175.10 174.56 2ce8 s GLY 548 N 0.78 1.27 0.00 4.51 0.00 -0.52 -0.58 107.32 112.78 2ce8 s GLY 548 Ca -0.11 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.23 2ce8 s GLY 548 CO 0.02 -1.43 0.00 0.61 0.00 0.00 0.00 173.10 172.30 2ce8 n GLY 549 N 0.51 1.40 2.36 0.20 0.00 -1.24 -0.38 105.19 108.04 2ce8 n GLY 549 Ca -0.15 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 2ce8 n GLY 549 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ce8 n GLU 550 N 0.00 2.94 -3.45 1.61 -0.58 -0.25 0.02 120.64 120.93 2ce8 n GLU 550 Ca 0.00 -1.78 -0.13 0.00 -0.42 0.00 0.00 57.16 54.83 2ce8 n GLU 550 Cb 0.00 -2.56 -0.03 0.00 -0.57 0.00 0.00 31.44 28.28 2ce8 n GLU 550 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ce8 s ALA 551 N 2.38 -1.65 -0.51 0.62 0.00 -1.08 -4.69 121.76 116.83 2ce8 s ALA 551 Ca 0.59 0.71 0.25 0.00 0.00 0.00 0.00 51.96 53.52 2ce8 s ALA 551 Cb 0.17 0.66 0.92 0.00 0.00 0.00 0.00 23.12 24.87 2ce8 s ALA 551 CO -0.04 -0.67 1.76 0.66 0.00 0.00 0.00 175.76 177.46 2ce8 h SER 552 N 2.24 0.00 -3.40 0.00 4.64 -1.77 -3.34 113.55 111.93 2ce8 h SER 552 Ca -0.32 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.33 2ce8 h SER 552 Cb 1.27 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.19 2ce8 h SER 552 CO 0.38 0.00 -0.64 0.28 -0.87 0.00 0.00 176.83 175.98 2ce8 s THR 553 N -3.27 4.13 -0.13 2.95 -1.32 -1.26 -0.26 115.64 116.47 2ce8 s THR 553 Ca 0.06 -0.31 -0.18 0.00 -1.21 0.00 0.00 61.69 60.06 2ce8 s THR 553 Cb 0.10 -2.74 -0.04 0.00 -1.51 0.00 0.00 72.50 68.31 2ce8 s THR 553 CO 0.49 0.59 0.46 -0.76 -2.21 0.00 0.00 174.62 173.19 2ce8 s LEU 554 N -0.69 4.26 -0.24 9.08 1.43 -0.29 -4.57 118.68 127.66 2ce8 s LEU 554 Ca 0.11 0.77 -0.10 0.00 -1.03 0.00 0.00 54.13 53.88 2ce8 s LEU 554 Cb -0.12 -2.66 -0.05 0.00 0.03 0.00 0.00 46.19 43.40 2ce8 s LEU 554 CO 0.02 -0.00 0.13 -0.44 0.23 0.00 0.00 176.35 176.29 2ce8 s SER 555 N 0.66 5.87 -0.26 2.29 0.01 0.25 -0.31 113.70 122.21 2ce8 s SER 555 Ca 0.25 0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.43 2ce8 s SER 555 Cb -0.15 -2.06 -0.05 0.00 0.21 0.00 0.00 66.02 63.98 2ce8 s SER 555 CO 0.09 0.05 0.19 -0.63 0.41 0.00 0.00 173.24 173.35 2ce8 s ILE 556 N 1.15 5.32 -0.16 1.44 1.01 0.51 -0.72 121.20 129.76 2ce8 s ILE 556 Ca 0.06 0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.90 2ce8 s ILE 556 Cb -0.14 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 2ce8 s ILE 556 CO 0.05 0.29 -0.07 0.26 0.00 0.00 0.00 174.94 175.47 2ce8 s TRP 557 N 1.42 2.94 -0.18 3.97 0.52 0.04 -0.13 118.94 127.52 2ce8 s TRP 557 Ca 0.08 -0.53 -0.27 0.00 0.02 0.00 0.00 56.10 55.40 2ce8 s TRP 557 Cb -0.15 -1.95 -0.01 0.00 -1.15 0.00 0.00 33.47 30.22 2ce8 s TRP 557 CO 0.08 -0.19 0.90 0.34 0.02 0.00 0.00 176.95 178.09 2ce8 s ASP 558 N 0.57 7.02 0.06 2.95 2.15 0.87 -1.81 116.67 128.47 2ce8 s ASP 558 Ca -0.05 1.26 -0.15 0.00 0.43 0.00 0.00 52.55 54.04 2ce8 s ASP 558 Cb -0.15 -2.48 -0.21 0.00 -0.30 0.00 0.00 42.92 39.78 2ce8 s ASP 558 CO 0.03 -0.47 1.20 -0.07 -0.17 0.00 0.00 175.17 175.69 2ce8 h LEU 559 N 8.55 0.80 0.00 -1.34 3.38 0.77 -2.47 115.31 125.00 2ce8 h LEU 559 Ca -0.27 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 56.99 2ce8 h LEU 559 Cb 1.12 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2ce8 h LEU 559 CO 0.87 1.40 -0.27 0.00 0.09 0.00 0.00 178.44 180.52 2ce8 n ALA 560 N -2.61 3.00 -1.50 1.53 0.00 -1.26 -3.82 120.51 115.84 2ce8 n ALA 560 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.34 2ce8 n ALA 560 Cb 0.77 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.38 2ce8 n ALA 560 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ce8 n ALA 561 N -2.91 -2.77 0.00 0.00 0.00 -1.26 -4.93 120.51 108.64 2ce8 n ALA 561 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ce8 n ALA 561 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.58 2ce8 n ALA 561 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2ce8 n PRO 562 N -0.58 0.00 -0.81 0.00 -0.02 -1.26 -3.96 135.00 128.37 2ce8 n PRO 562 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2ce8 n PRO 562 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.56 2ce8 n PRO 562 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2ce8 n THR 563 N 0.00 -0.40 -1.59 3.45 5.66 -1.25 -5.05 114.28 115.09 2ce8 n THR 563 Ca 0.00 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.60 2ce8 n THR 563 Cb 0.00 -1.46 0.02 0.00 -1.55 0.00 0.00 70.33 67.35 2ce8 n THR 563 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 2ce8 n PRO 564 N -0.70 1.14 -3.76 1.09 -0.02 -1.25 -4.71 135.00 126.79 2ce8 n PRO 564 Ca 0.00 0.42 -0.13 0.00 -2.02 0.00 0.00 63.50 61.77 2ce8 n PRO 564 Cb 0.25 -2.01 -0.13 0.00 -0.02 0.00 0.00 33.50 31.59 2ce8 n PRO 564 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2ce8 s ARG 565 N -2.16 0.21 -0.24 -0.52 3.00 -0.93 -5.01 118.95 113.30 2ce8 s ARG 565 Ca 0.66 0.39 -0.29 0.00 0.00 0.00 0.00 55.73 56.50 2ce8 s ARG 565 Cb -0.52 -0.02 -0.03 0.00 0.00 0.00 0.00 34.95 34.39 2ce8 s ARG 565 CO 0.55 -0.10 1.71 0.42 0.00 0.00 0.00 175.30 177.88 2ce8 s ILE 566 N 0.71 3.57 -0.10 1.52 1.01 -1.26 -0.09 121.20 126.55 2ce8 s ILE 566 Ca -0.05 0.62 -0.25 0.00 0.00 0.00 0.00 60.65 60.97 2ce8 s ILE 566 Cb -0.06 -3.62 -0.21 0.00 0.01 0.00 0.00 42.46 38.57 2ce8 s ILE 566 CO -0.04 -0.30 0.85 0.50 0.00 0.00 0.00 174.94 175.95 2ce8 h LYS 567 N 11.52 -0.03 -3.34 2.79 3.64 -0.86 -3.47 116.57 126.82 2ce8 h LYS 567 Ca -0.35 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.96 2ce8 h LYS 567 Cb 1.17 0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 32.84 2ce8 h LYS 567 CO 1.00 0.69 -0.17 0.00 -2.27 0.00 0.00 179.45 178.70 2ce8 s ALA 568 N -2.96 -0.78 -0.06 5.00 0.00 -1.03 -5.01 121.76 116.91 2ce8 s ALA 568 Ca -0.16 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 51.80 2ce8 s ALA 568 Cb -0.01 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.60 2ce8 s ALA 568 CO 0.60 -0.52 -0.15 -1.21 0.00 0.00 0.00 175.76 174.48 2ce8 s GLU 569 N -3.16 1.92 -0.35 0.00 2.02 -1.26 -0.36 118.70 117.52 2ce8 s GLU 569 Ca -0.01 -0.53 -0.05 0.00 0.02 0.00 0.00 54.97 54.40 2ce8 s GLU 569 Cb 0.01 -1.57 0.06 0.00 0.10 0.00 0.00 34.13 32.72 2ce8 s GLU 569 CO -0.07 0.10 0.11 -0.51 0.02 0.00 0.00 175.26 174.91 2ce8 s LEU 570 N 0.45 4.42 -0.03 1.80 1.43 0.58 -4.94 118.68 122.38 2ce8 s LEU 570 Ca -0.13 -1.33 -0.23 0.00 -1.03 0.00 0.00 54.13 51.42 2ce8 s LEU 570 Cb -0.15 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 2ce8 s LEU 570 CO 0.04 -0.36 0.69 -0.89 0.23 0.00 0.00 176.35 176.06 2ce8 s THR 571 N 1.33 4.97 0.16 5.49 2.01 -1.26 -1.14 115.64 127.20 2ce8 s THR 571 Ca -0.01 1.43 0.04 0.00 0.31 0.00 0.00 61.69 63.47 2ce8 s THR 571 Cb -0.20 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 2ce8 s THR 571 CO 0.01 0.31 0.19 -0.55 -0.69 0.00 0.00 174.62 173.88 2ce8 s SER 572 N 0.45 5.80 0.25 3.53 0.15 0.63 -5.00 113.70 119.52 2ce8 s SER 572 Ca 0.36 -0.03 0.12 0.00 0.70 0.00 0.00 55.95 57.11 2ce8 s SER 572 Cb -0.18 -1.60 0.22 0.00 -1.71 0.00 0.00 66.02 62.75 2ce8 s SER 572 CO 0.19 0.06 1.52 0.77 1.20 0.00 0.00 173.24 176.97 2ce8 h SER 573 N 2.30 0.00 -3.87 5.45 4.64 -1.98 -3.46 113.55 116.63 2ce8 h SER 573 Ca -0.48 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.33 2ce8 h SER 573 Cb 1.20 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.33 2ce8 h SER 573 CO 0.65 0.65 0.53 0.00 -0.87 0.00 0.00 176.83 177.78 2ce8 s ALA 574 N -3.24 3.34 0.63 5.18 0.00 -1.26 -4.94 121.76 121.47 2ce8 s ALA 574 Ca 0.01 1.01 0.44 0.00 0.00 0.00 0.00 51.96 53.42 2ce8 s ALA 574 Cb 0.11 -3.38 2.35 0.00 0.00 0.00 0.00 23.12 22.19 2ce8 s ALA 574 CO 0.76 -0.41 2.35 -1.35 0.00 0.00 0.00 175.76 177.10 2ce8 h PRO 575 N 3.28 0.00 -2.31 0.00 0.11 -1.89 -3.40 132.00 127.80 2ce8 h PRO 575 Ca -0.48 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 2ce8 h PRO 575 Cb 1.22 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.16 2ce8 h PRO 575 CO 0.65 0.00 0.15 0.00 -0.21 0.00 0.00 178.00 178.59 2ce8 s ALA 576 N -4.13 -1.63 -0.10 -0.75 0.00 -1.25 -2.64 121.76 111.25 2ce8 s ALA 576 Ca -0.05 1.05 0.00 0.00 0.00 0.00 0.00 51.96 52.97 2ce8 s ALA 576 Cb 0.13 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 2ce8 s ALA 576 CO 0.42 -0.44 -0.10 0.00 0.00 0.00 0.00 175.76 175.64 2ce8 n TYR 578 N 2.91 0.00 -3.55 0.00 0.53 0.24 -3.70 117.16 113.59 2ce8 n TYR 578 Ca -0.18 0.00 -0.14 0.00 -1.02 0.00 0.00 57.90 56.57 2ce8 n TYR 578 Cb 0.53 -0.33 -0.05 0.00 -1.03 0.00 0.00 39.34 38.45 2ce8 n TYR 578 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2ce8 s ALA 579 N -2.98 -1.86 0.09 -0.72 0.00 -1.25 -4.68 121.76 110.36 2ce8 s ALA 579 Ca -0.05 1.46 0.07 0.00 0.00 0.00 0.00 51.96 53.43 2ce8 s ALA 579 Cb 0.09 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 2ce8 s ALA 579 CO 0.59 -0.35 -0.18 -0.51 0.00 0.00 0.00 175.76 175.32 2ce8 s LEU 580 N -1.19 2.29 0.04 0.00 1.43 -1.26 -0.33 118.68 119.67 2ce8 s LEU 580 Ca -0.05 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 52.40 2ce8 s LEU 580 Cb -0.00 -0.70 -0.02 0.00 0.03 0.00 0.00 46.19 45.49 2ce8 s LEU 580 CO 0.05 -0.01 -0.06 0.00 0.23 0.00 0.00 176.35 176.55 2ce8 s ALA 581 N -1.25 0.46 -0.10 4.21 0.00 -0.20 -4.93 121.76 119.95 2ce8 s ALA 581 Ca 0.03 -0.77 -0.00 0.00 0.00 0.00 0.00 51.96 51.22 2ce8 s ALA 581 Cb -0.10 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 2ce8 s ALA 581 CO 0.03 -0.09 -0.09 0.42 0.00 0.00 0.00 175.76 176.04 2ce8 s ILE 582 N -1.64 3.49 0.74 0.00 -1.09 -1.26 -0.12 121.20 121.31 2ce8 s ILE 582 Ca -0.10 -0.53 -0.15 0.00 -2.23 0.00 0.00 60.65 57.64 2ce8 s ILE 582 Cb -0.08 -2.45 0.04 0.00 -1.58 0.00 0.00 42.46 38.39 2ce8 s ILE 582 CO -0.01 0.55 1.25 -0.94 -1.23 0.00 0.00 174.94 174.56 2ce8 s SER 583 N -0.24 4.01 0.42 3.58 1.04 -0.28 -4.89 113.70 117.34 2ce8 s SER 583 Ca 0.03 2.49 0.29 0.00 0.48 0.00 0.00 55.95 59.23 2ce8 s SER 583 Cb -0.13 -2.60 1.49 0.00 0.10 0.00 0.00 66.02 64.88 2ce8 s SER 583 CO 0.03 -2.39 1.88 -0.65 0.98 0.00 0.00 173.24 173.09 2ce8 h PRO 584 N -0.28 0.00 -0.02 4.02 0.11 -1.94 -1.08 132.00 132.82 2ce8 h PRO 584 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2ce8 h PRO 584 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2ce8 h PRO 584 CO 0.49 0.00 -0.11 -0.40 -0.21 0.00 0.00 178.00 177.77 2ce8 n ASP 585 N -2.54 1.83 -0.04 -2.05 5.75 -1.26 -4.95 116.55 113.29 2ce8 n ASP 585 Ca -0.01 -1.49 -0.01 0.00 -0.01 0.00 0.00 54.79 53.27 2ce8 n ASP 585 Cb 0.10 0.09 -0.00 0.00 -1.03 0.00 0.00 41.12 40.27 2ce8 n ASP 585 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2ce8 n SER 586 N 0.26 -4.51 0.05 -1.12 7.64 -0.41 -4.89 113.62 110.65 2ce8 n SER 586 Ca 0.15 0.01 0.12 0.00 1.01 0.00 0.00 58.87 60.16 2ce8 n SER 586 Cb 0.43 -2.05 0.18 0.00 -1.01 0.00 0.00 64.21 61.76 2ce8 n SER 586 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2ce8 n LYS 587 N -1.06 0.24 -4.20 1.43 4.81 -1.26 -4.87 118.16 113.25 2ce8 n LYS 587 Ca -0.01 0.07 -0.16 0.00 -0.87 0.00 0.00 58.31 57.34 2ce8 n LYS 587 Cb 0.26 -1.65 -0.15 0.00 0.02 0.00 0.00 35.03 33.51 2ce8 n LYS 587 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2ce8 s VAL 588 N -3.14 0.47 -0.09 3.15 1.01 -1.26 -1.60 120.40 118.94 2ce8 s VAL 588 Ca 0.07 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2ce8 s VAL 588 Cb 0.14 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 2ce8 s VAL 588 CO 0.72 0.14 -0.14 0.00 0.00 0.00 0.00 175.10 175.81 2ce8 s PHE 590 N -0.14 3.22 -0.17 0.00 0.40 0.83 -0.11 117.98 122.02 2ce8 s PHE 590 Ca -0.01 -0.01 -0.02 0.00 -0.60 0.00 0.00 56.93 56.29 2ce8 s PHE 590 Cb -0.14 -2.18 -0.01 0.00 0.51 0.00 0.00 43.02 41.21 2ce8 s PHE 590 CO 0.03 -0.01 -0.10 0.45 0.70 0.00 0.00 175.22 176.29 2ce8 s SER 591 N 0.91 4.07 -0.61 1.36 0.15 0.16 -1.03 113.70 118.71 2ce8 s SER 591 Ca 0.05 -0.37 -0.28 0.00 0.70 0.00 0.00 55.95 56.05 2ce8 s SER 591 Cb -0.14 -1.65 0.03 0.00 -1.71 0.00 0.00 66.02 62.55 2ce8 s SER 591 CO 0.03 0.08 1.26 0.00 1.20 0.00 0.00 173.24 175.81 2ce8 h SER 594 N 2.06 0.00 -0.03 0.00 4.64 -1.40 -0.49 113.55 118.34 2ce8 h SER 594 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2ce8 h SER 594 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2ce8 h SER 594 CO 0.63 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.69 2ce8 n ASP 595 N -2.36 0.72 0.00 4.97 3.85 -1.26 -1.70 116.55 120.76 2ce8 n ASP 595 Ca 0.02 -1.33 0.00 0.00 -0.71 0.00 0.00 54.79 52.77 2ce8 n ASP 595 Cb 0.23 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.98 2ce8 n ASP 595 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2ce8 n GLY 596 N 1.04 1.51 3.77 6.12 0.00 -0.23 -4.71 105.19 112.70 2ce8 n GLY 596 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2ce8 n GLY 596 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ce8 s ASN 597 N -2.03 6.92 -0.40 1.61 0.01 -1.26 -3.90 114.94 115.89 2ce8 s ASN 597 Ca 0.00 2.10 -0.18 0.00 -0.71 0.00 0.00 52.86 54.06 2ce8 s ASN 597 Cb 0.00 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 39.08 2ce8 s ASN 597 CO 0.00 -0.38 0.50 -0.63 -1.51 0.00 0.00 177.10 175.08 2ce8 s ILE 598 N -1.51 5.01 -0.04 0.60 -1.09 -0.36 -0.54 121.20 123.27 2ce8 s ILE 598 Ca 0.54 -0.05 -0.27 0.00 -2.23 0.00 0.00 60.65 58.64 2ce8 s ILE 598 Cb -0.25 -4.05 -0.03 0.00 -1.58 0.00 0.00 42.46 36.55 2ce8 s ILE 598 CO 0.31 -0.40 0.87 0.00 -1.23 0.00 0.00 174.94 174.50 2ce8 s ALA 599 N 2.36 3.26 -0.32 9.38 0.00 -0.10 -0.57 121.76 135.76 2ce8 s ALA 599 Ca 0.16 0.36 -0.10 0.00 0.00 0.00 0.00 51.96 52.38 2ce8 s ALA 599 Cb -0.16 -3.20 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 2ce8 s ALA 599 CO 0.15 -0.23 0.17 0.08 0.00 0.00 0.00 175.76 175.93 2ce8 s VAL 600 N 1.06 4.67 -0.14 0.00 1.01 -0.40 0.39 120.40 126.99 2ce8 s VAL 600 Ca 0.46 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 2ce8 s VAL 600 Cb -0.19 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 2ce8 s VAL 600 CO 0.23 0.01 0.02 0.26 0.00 0.00 0.00 175.10 175.62 2ce8 s TRP 601 N 1.62 3.17 -0.35 5.22 0.52 0.85 -0.88 118.94 129.08 2ce8 s TRP 601 Ca 0.04 0.01 -0.28 0.00 0.02 0.00 0.00 56.10 55.90 2ce8 s TRP 601 Cb -0.17 -1.95 0.02 0.00 -1.15 0.00 0.00 33.47 30.22 2ce8 s TRP 601 CO 0.07 0.21 1.04 0.34 0.02 0.00 0.00 176.95 178.63 2ce8 s ASP 602 N -0.07 6.82 -0.02 2.95 -1.08 0.61 -1.31 116.67 124.57 2ce8 s ASP 602 Ca 0.04 0.83 -0.23 0.00 -0.52 0.00 0.00 52.55 52.68 2ce8 s ASP 602 Cb -0.13 -2.52 -0.15 0.00 -1.46 0.00 0.00 42.92 38.66 2ce8 s ASP 602 CO 0.02 -0.92 1.05 -0.07 0.52 0.00 0.00 175.17 175.77 2ce8 h LEU 603 N 10.24 -0.33 -0.60 -1.34 3.38 -1.61 0.24 115.31 125.29 2ce8 h LEU 603 Ca -0.22 -0.20 0.11 0.00 0.09 0.00 0.00 57.88 57.66 2ce8 h LEU 603 Cb 1.07 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.82 2ce8 h LEU 603 CO 1.03 0.10 0.14 -0.74 0.09 0.00 0.00 178.44 179.06 2ce8 h HIS 604 N -0.86 0.22 -0.01 1.13 2.76 -1.92 -2.62 115.15 113.86 2ce8 h HIS 604 Ca -0.04 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2ce8 h HIS 604 Cb 0.52 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.47 2ce8 h HIS 604 CO 0.04 -0.02 -0.28 0.09 -1.30 0.00 0.00 177.93 176.46 2ce8 n ASN 605 N -5.12 1.09 -3.46 3.26 4.13 -1.24 -4.97 115.26 108.96 2ce8 n ASN 605 Ca 0.09 -0.93 -0.18 0.00 1.68 0.00 0.00 54.58 55.24 2ce8 n ASN 605 Cb 0.32 0.17 0.09 0.00 -1.54 0.00 0.00 39.78 38.81 2ce8 n ASN 605 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ce8 n GLN 606 N -0.62 -6.65 -3.83 3.52 6.02 0.79 -4.98 117.38 111.64 2ce8 n GLN 606 Ca 0.12 0.83 -0.12 0.00 -0.01 0.00 0.00 57.00 57.82 2ce8 n GLN 606 Cb 0.36 -5.83 -0.13 0.00 1.02 0.00 0.00 30.24 25.65 2ce8 n GLN 606 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2ce8 s THR 607 N -3.37 -0.00 -0.24 5.09 -1.32 -0.87 -4.97 115.64 109.95 2ce8 s THR 607 Ca 0.05 0.01 -0.29 0.00 -1.21 0.00 0.00 61.69 60.26 2ce8 s THR 607 Cb -0.02 -0.16 0.01 0.00 -1.51 0.00 0.00 72.50 70.82 2ce8 s THR 607 CO 0.73 0.00 1.04 -0.22 -2.21 0.00 0.00 174.62 173.97 2ce8 s LEU 608 N 0.12 4.09 -0.13 9.08 2.96 -1.26 -0.28 118.68 133.26 2ce8 s LEU 608 Ca -0.01 1.35 0.17 0.00 -0.22 0.00 0.00 54.13 55.42 2ce8 s LEU 608 Cb -0.01 -3.53 -0.24 0.00 0.50 0.00 0.00 46.19 42.90 2ce8 s LEU 608 CO -0.00 -0.68 0.17 1.33 -1.32 0.00 0.00 176.35 175.85 2ce8 n VAL 609 N 5.35 0.85 -3.67 1.68 0.24 -0.06 -4.95 118.33 117.77 2ce8 n VAL 609 Ca 0.12 -0.66 -0.02 0.00 -2.04 0.00 0.00 64.34 61.75 2ce8 n VAL 609 Cb 0.46 -0.35 -0.01 0.00 -1.47 0.00 0.00 33.84 32.47 2ce8 n VAL 609 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ce8 s ARG 610 N -2.70 0.77 -0.03 7.34 1.70 -1.23 -5.04 118.95 119.77 2ce8 s ARG 610 Ca -0.08 -0.42 0.03 0.00 -0.47 0.00 0.00 55.73 54.79 2ce8 s ARG 610 Cb 0.07 0.27 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 2ce8 s ARG 610 CO 0.74 -0.35 -0.10 -0.65 -1.08 0.00 0.00 175.30 173.86 2ce8 s GLN 611 N -2.85 1.07 -0.37 3.89 -0.21 -1.26 -1.27 119.66 118.66 2ce8 s GLN 611 Ca 0.12 -0.35 -0.19 0.00 0.02 0.00 0.00 55.36 54.96 2ce8 s GLN 611 Cb 0.01 -0.99 0.00 0.00 1.00 0.00 0.00 33.01 33.04 2ce8 s GLN 611 CO -0.01 0.14 0.55 -0.06 -2.12 0.00 0.00 175.29 173.79 2ce8 s PHE 612 N 0.15 3.15 -0.09 0.91 0.08 0.26 -4.93 117.98 117.50 2ce8 s PHE 612 Ca -0.03 0.14 0.01 0.00 0.12 0.00 0.00 56.93 57.17 2ce8 s PHE 612 Cb -0.09 -3.04 -0.03 0.00 -0.57 0.00 0.00 43.02 39.30 2ce8 s PHE 612 CO 0.01 -0.62 -0.09 -0.65 -0.10 0.00 0.00 175.22 173.76 2ce8 s GLN 613 N 2.51 2.98 0.00 0.44 -0.21 -1.26 -1.22 119.66 122.91 2ce8 s GLN 613 Ca 0.20 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 54.97 2ce8 s GLN 613 Cb -0.15 -2.60 0.00 0.00 1.00 0.00 0.00 33.01 31.26 2ce8 s GLN 613 CO 0.15 0.49 0.00 0.41 -2.12 0.00 0.00 175.29 174.21 2ce8 n GLY 614 N 2.74 -0.21 3.64 3.09 0.00 -1.26 -4.93 105.19 108.27 2ce8 n GLY 614 Ca -0.18 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2ce8 n GLY 614 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ce8 n HIS 615 N 0.00 1.54 -0.12 1.61 8.25 -1.25 -4.99 115.22 120.26 2ce8 n HIS 615 Ca 0.00 0.56 -0.17 0.00 -0.26 0.00 0.00 57.72 57.84 2ce8 n HIS 615 Cb 0.00 -2.29 -0.13 0.00 1.12 0.00 0.00 29.99 28.70 2ce8 n HIS 615 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2ce8 n THR 616 N -0.28 1.50 -1.62 1.59 -2.24 -1.26 -4.48 114.28 107.49 2ce8 n THR 616 Ca 0.08 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2ce8 n THR 616 Cb 0.38 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 2ce8 n THR 616 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2ce8 n ASP 617 N -3.22 0.10 -4.51 3.42 -0.08 -1.26 -4.66 116.55 106.34 2ce8 n ASP 617 Ca -0.43 0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 52.40 2ce8 n ASP 617 Cb 1.01 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.46 2ce8 n ASP 617 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ce8 n GLY 618 N 5.00 -0.91 3.73 0.27 0.00 -0.69 -2.76 105.19 109.83 2ce8 n GLY 618 Ca 0.00 0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 2ce8 n GLY 618 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ce8 s ALA 619 N -1.17 3.28 -0.23 4.61 0.00 -0.97 -1.83 121.76 125.45 2ce8 s ALA 619 Ca 0.61 0.64 0.11 0.00 0.00 0.00 0.00 51.96 53.31 2ce8 s ALA 619 Cb -0.72 -3.29 -0.14 0.00 0.00 0.00 0.00 23.12 18.97 2ce8 s ALA 619 CO 0.58 -0.05 0.33 -1.13 0.00 0.00 0.00 175.76 175.49 2ce8 n SER 620 N 2.60 1.62 -3.52 0.00 3.41 0.53 -4.48 113.62 113.78 2ce8 n SER 620 Ca 0.02 -0.34 -0.08 0.00 -0.26 0.00 0.00 58.87 58.21 2ce8 n SER 620 Cb 0.48 1.27 -0.02 0.00 -0.26 0.00 0.00 64.21 65.68 2ce8 n SER 620 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ce8 s ILE 622 N -3.15 0.00 0.27 0.00 2.07 -1.26 -1.30 121.20 117.82 2ce8 s ILE 622 Ca 0.05 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.11 2ce8 s ILE 622 Cb -0.01 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.59 2ce8 s ILE 622 CO -0.08 0.00 0.63 -0.62 -1.91 0.00 0.00 174.94 172.95 2ce8 s ASP 623 N -0.53 -0.19 -0.04 4.50 -1.08 -0.26 -4.89 116.67 114.17 2ce8 s ASP 623 Ca -0.03 -0.74 0.07 0.00 -0.52 0.00 0.00 52.55 51.33 2ce8 s ASP 623 Cb -0.02 0.68 -0.02 0.00 -1.46 0.00 0.00 42.92 42.10 2ce8 s ASP 623 CO 0.03 -1.27 -0.25 -0.63 0.52 0.00 0.00 175.17 173.57 2ce8 s ILE 624 N -3.95 2.10 0.94 4.11 1.01 -1.26 -0.22 121.20 123.93 2ce8 s ILE 624 Ca 0.15 -1.07 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 2ce8 s ILE 624 Cb -0.04 -1.74 0.07 0.00 0.01 0.00 0.00 42.46 40.76 2ce8 s ILE 624 CO 0.08 0.58 0.65 -1.54 0.00 0.00 0.00 174.94 174.71 2ce8 n SER 625 N 2.70 -1.27 0.23 3.58 3.41 0.16 -4.82 113.62 117.60 2ce8 n SER 625 Ca -0.17 0.36 0.15 0.00 -0.26 0.00 0.00 58.87 58.95 2ce8 n SER 625 Cb 0.52 -1.30 0.50 0.00 -0.26 0.00 0.00 64.21 63.67 2ce8 n SER 625 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ce8 h ASN 626 N -1.67 0.00 0.52 4.04 -1.07 -1.88 -1.64 115.58 113.87 2ce8 h ASN 626 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.94 2ce8 h ASN 626 Cb 1.28 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 2ce8 h ASN 626 CO 0.36 0.00 -0.15 -0.90 0.07 0.00 0.00 177.43 176.81 2ce8 n ASP 627 N -2.93 0.38 -0.03 6.14 3.85 -1.26 -4.94 116.55 117.76 2ce8 n ASP 627 Ca 0.02 -0.30 -0.00 0.00 -0.71 0.00 0.00 54.79 53.80 2ce8 n ASP 627 Cb 0.37 -0.11 -0.00 0.00 -1.35 0.00 0.00 41.12 40.03 2ce8 n ASP 627 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2ce8 n GLY 628 N 1.36 0.45 0.00 6.12 0.00 -0.62 -4.92 105.19 107.59 2ce8 n GLY 628 Ca 0.11 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.12 2ce8 n GLY 628 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ce8 n THR 629 N -2.86 0.00 -5.27 2.61 -2.24 -1.26 -4.92 114.28 100.34 2ce8 n THR 629 Ca -0.00 -0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.24 2ce8 n THR 629 Cb 0.08 0.63 -0.16 0.00 -2.10 0.00 0.00 70.33 68.78 2ce8 n THR 629 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ce8 s LYS 630 N -2.82 2.22 -0.13 -0.78 -0.14 -1.26 -1.46 119.74 115.37 2ce8 s LYS 630 Ca 0.01 -0.91 -0.07 0.00 -1.36 0.00 0.00 55.97 53.64 2ce8 s LYS 630 Cb 0.12 -2.09 -0.04 0.00 -1.68 0.00 0.00 37.83 34.14 2ce8 s LYS 630 CO 0.69 0.53 0.11 -1.17 -0.76 0.00 0.00 175.35 174.76 2ce8 s LEU 631 N -0.54 4.21 -0.04 3.17 2.96 -0.31 -0.66 118.68 127.46 2ce8 s LEU 631 Ca 0.08 0.36 0.06 0.00 -0.22 0.00 0.00 54.13 54.41 2ce8 s LEU 631 Cb -0.11 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 2ce8 s LEU 631 CO -0.00 0.35 -0.23 0.26 -1.32 0.00 0.00 176.35 175.41 2ce8 s TRP 632 N -0.68 2.46 0.01 5.38 0.52 0.70 -0.12 118.94 127.20 2ce8 s TRP 632 Ca 0.13 -0.49 -0.01 0.00 0.02 0.00 0.00 56.10 55.74 2ce8 s TRP 632 Cb -0.12 -1.57 -0.01 0.00 -1.15 0.00 0.00 33.47 30.62 2ce8 s TRP 632 CO 0.03 -0.07 0.00 0.95 0.02 0.00 0.00 176.95 177.88 2ce8 s THR 633 N -0.44 0.10 0.13 2.01 -4.23 -0.32 -1.10 115.64 111.79 2ce8 s THR 633 Ca 0.05 -0.79 0.10 0.00 -1.18 0.00 0.00 61.69 59.87 2ce8 s THR 633 Cb -0.12 -0.27 -0.04 0.00 1.34 0.00 0.00 72.50 73.42 2ce8 s THR 633 CO 0.01 -0.43 -0.22 -0.83 -0.54 0.00 0.00 174.62 172.61 2ce8 s GLY 634 N -1.31 1.65 0.10 3.99 0.00 -0.42 -0.84 107.32 110.49 2ce8 s GLY 634 Ca -0.14 -1.44 0.07 0.00 0.00 0.00 0.00 44.72 43.21 2ce8 s GLY 634 CO -0.01 -1.42 -0.17 -0.32 0.00 0.00 0.00 173.10 171.18 2ce8 s GLY 635 N -2.20 1.07 0.57 0.20 0.00 0.01 -0.35 107.32 106.63 2ce8 s GLY 635 Ca 0.17 -1.18 0.34 0.00 0.00 0.00 0.00 44.72 44.05 2ce8 s GLY 635 CO 0.09 -1.21 2.13 1.41 0.00 0.00 0.00 173.10 175.52 2ce8 h LEU 636 N 3.99 0.00 0.00 0.66 3.38 -1.53 -1.74 115.31 120.07 2ce8 h LEU 636 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2ce8 h LEU 636 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2ce8 h LEU 636 CO 0.43 0.05 0.00 -0.90 0.09 0.00 0.00 178.44 178.11 2ce8 n ASP 637 N -3.34 0.00 -0.83 -0.43 5.75 -1.26 -4.64 116.55 111.80 2ce8 n ASP 637 Ca -0.01 -0.77 -0.10 0.00 -0.01 0.00 0.00 54.79 53.89 2ce8 n ASP 637 Cb 0.21 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.26 2ce8 n ASP 637 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2ce8 n ASN 638 N -0.65 -4.06 -4.43 -1.12 4.13 -0.84 -4.94 115.26 103.35 2ce8 n ASN 638 Ca 0.03 0.20 -0.27 0.00 1.68 0.00 0.00 54.58 56.22 2ce8 n ASN 638 Cb 0.01 -2.59 -0.12 0.00 -1.54 0.00 0.00 39.78 35.54 2ce8 n ASN 638 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2ce8 s THR 639 N -2.39 2.42 -0.09 3.41 -4.23 -1.26 -0.08 115.64 113.43 2ce8 s THR 639 Ca 0.00 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 58.59 2ce8 s THR 639 Cb 0.00 -2.15 -0.02 0.00 1.34 0.00 0.00 72.50 71.67 2ce8 s THR 639 CO 0.00 -0.07 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.20 2ce8 s VAL 640 N -1.54 3.20 0.15 2.29 1.01 0.11 -0.81 120.40 124.81 2ce8 s VAL 640 Ca 0.20 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.59 2ce8 s VAL 640 Cb -0.08 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 2ce8 s VAL 640 CO 0.10 0.56 -0.13 -0.13 0.00 0.00 0.00 175.10 175.49 2ce8 s ARG 641 N -0.29 1.13 0.01 2.72 0.52 -0.02 0.22 118.95 123.24 2ce8 s ARG 641 Ca 0.03 -1.40 0.08 0.00 -0.52 0.00 0.00 55.73 53.91 2ce8 s ARG 641 Cb -0.13 -0.91 -0.02 0.00 0.52 0.00 0.00 34.95 34.41 2ce8 s ARG 641 CO 0.03 0.16 -0.23 0.45 0.02 0.00 0.00 175.30 175.72 2ce8 s SER 642 N -2.90 2.77 0.01 0.23 0.15 -0.74 -1.17 113.70 112.05 2ce8 s SER 642 Ca 0.15 -0.47 0.02 0.00 0.70 0.00 0.00 55.95 56.35 2ce8 s SER 642 Cb -0.02 -0.28 -0.01 0.00 -1.71 0.00 0.00 66.02 64.00 2ce8 s SER 642 CO 0.04 0.26 -0.07 0.26 1.20 0.00 0.00 173.24 174.93 2ce8 s TRP 643 N -0.64 0.58 -0.24 3.44 0.52 0.83 0.21 118.94 123.64 2ce8 s TRP 643 Ca 0.09 -0.18 -0.29 0.00 0.02 0.00 0.00 56.10 55.74 2ce8 s TRP 643 Cb -0.09 -0.37 0.01 0.00 -1.15 0.00 0.00 33.47 31.87 2ce8 s TRP 643 CO 0.00 -0.02 1.12 0.34 0.02 0.00 0.00 176.95 178.41 2ce8 s ASP 644 N -0.42 6.99 0.00 2.95 2.15 0.13 -1.16 116.67 127.31 2ce8 s ASP 644 Ca 0.00 1.36 0.25 0.00 0.43 0.00 0.00 52.55 54.59 2ce8 s ASP 644 Cb -0.04 -2.54 1.43 0.00 -0.30 0.00 0.00 42.92 41.47 2ce8 s ASP 644 CO -0.00 -0.77 1.83 0.18 -0.17 0.00 0.00 175.17 176.23 2ce8 n LEU 645 N 6.62 0.00 -0.05 -1.34 4.77 -0.53 -0.77 117.00 125.70 2ce8 n LEU 645 Ca 0.13 0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 56.10 2ce8 n LEU 645 Cb 0.46 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 2ce8 n LEU 645 CO 0.55 -0.01 -0.40 0.54 -1.33 0.00 0.00 177.39 176.74 2ce8 n ARG 646 N -1.05 0.31 0.14 3.23 1.74 -1.26 -4.74 116.66 115.04 2ce8 n ARG 646 Ca 0.17 0.12 -0.14 0.00 -0.77 0.00 0.00 57.85 57.24 2ce8 n ARG 646 Cb 0.10 -1.05 -0.07 0.00 -1.02 0.00 0.00 32.46 30.43 2ce8 n ARG 646 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2ce8 h GLU 647 N -0.59 -0.59 0.00 5.56 5.08 -1.96 -3.47 114.58 118.60 2ce8 h GLU 647 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2ce8 h GLU 647 Cb 0.59 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2ce8 h GLU 647 CO 0.00 -0.40 0.00 0.41 -1.00 0.00 0.00 179.01 178.02 2ce8 n GLY 648 N -1.44 0.82 3.89 -3.84 0.00 0.05 -5.06 105.19 99.61 2ce8 n GLY 648 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2ce8 n GLY 648 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ce8 s ARG 649 N -0.96 3.59 0.13 1.61 3.52 -1.25 -4.84 118.95 120.76 2ce8 s ARG 649 Ca 0.00 -0.10 -0.31 0.00 -0.13 0.00 0.00 55.73 55.19 2ce8 s ARG 649 Cb 0.00 -2.99 -0.08 0.00 -1.56 0.00 0.00 34.95 30.32 2ce8 s ARG 649 CO 0.00 0.58 1.32 -1.14 -0.81 0.00 0.00 175.30 175.25 2ce8 s GLN 650 N -2.16 4.37 -0.05 5.12 0.74 -1.26 -0.69 119.66 125.72 2ce8 s GLN 650 Ca 0.33 2.00 -0.05 0.00 0.05 0.00 0.00 55.36 57.69 2ce8 s GLN 650 Cb -0.13 -3.25 -0.02 0.00 1.10 0.00 0.00 33.01 30.71 2ce8 s GLN 650 CO 0.21 -0.33 -0.09 1.28 -0.55 0.00 0.00 175.29 175.80 2ce8 n LEU 651 N 3.51 0.59 -4.69 3.68 4.77 0.13 -4.90 117.00 120.09 2ce8 n LEU 651 Ca 0.09 0.18 -0.23 0.00 -0.03 0.00 0.00 56.01 56.02 2ce8 n LEU 651 Cb 0.43 -0.59 -0.07 0.00 -2.33 0.00 0.00 43.42 40.87 2ce8 n LEU 651 CO 0.58 -0.45 -0.27 -1.10 -1.33 0.00 0.00 177.39 174.82 2ce8 s GLN 652 N -1.54 2.41 -0.02 3.23 -0.21 -1.21 -4.95 119.66 117.36 2ce8 s GLN 652 Ca -0.08 -1.39 -0.01 0.00 0.02 0.00 0.00 55.36 53.90 2ce8 s GLN 652 Cb 0.01 -2.22 0.02 0.00 1.00 0.00 0.00 33.01 31.82 2ce8 s GLN 652 CO 0.12 0.31 0.04 -1.14 -2.12 0.00 0.00 175.29 172.50 2ce8 s GLN 653 N -3.74 -0.00 -0.17 2.91 0.74 -1.26 -1.79 119.66 116.35 2ce8 s GLN 653 Ca 0.33 0.17 0.01 0.00 0.05 0.00 0.00 55.36 55.92 2ce8 s GLN 653 Cb -0.06 -0.17 0.01 0.00 1.10 0.00 0.00 33.01 33.90 2ce8 s GLN 653 CO 0.21 -0.12 -0.18 -1.01 -0.55 0.00 0.00 175.29 173.64 2ce8 s HIS 654 N 0.80 2.77 -0.22 1.67 3.76 0.13 -4.98 115.29 119.22 2ce8 s HIS 654 Ca -0.07 -1.39 -0.11 0.00 -0.15 0.00 0.00 55.06 53.35 2ce8 s HIS 654 Cb -0.09 -1.91 -0.05 0.00 1.11 0.00 0.00 32.58 31.64 2ce8 s HIS 654 CO -0.03 -0.67 0.19 -0.51 -0.85 0.00 0.00 174.74 172.87 2ce8 s ASP 655 N 1.10 6.19 0.46 1.40 -0.00 -1.26 -0.71 116.67 123.84 2ce8 s ASP 655 Ca 0.00 0.20 0.07 0.00 -0.00 0.00 0.00 52.55 52.82 2ce8 s ASP 655 Cb -0.14 -2.12 -0.01 0.00 -0.00 0.00 0.00 42.92 40.64 2ce8 s ASP 655 CO -0.07 0.07 0.31 -0.36 -0.00 0.00 0.00 175.17 175.12 2ce8 s PHE 656 N 0.93 2.33 -1.83 4.23 0.40 0.89 -5.02 117.98 119.92 2ce8 s PHE 656 Ca 0.09 -0.64 0.20 0.00 -0.60 0.00 0.00 56.93 55.98 2ce8 s PHE 656 Cb -0.13 -2.01 0.52 0.00 0.51 0.00 0.00 43.02 41.91 2ce8 s PHE 656 CO 0.04 -0.11 1.44 0.25 0.70 0.00 0.00 175.22 177.54 2ce8 n THR 657 N -1.49 0.88 -3.96 0.64 -2.24 -1.26 -4.83 114.28 102.02 2ce8 n THR 657 Ca -0.00 -0.94 -0.10 0.00 -2.27 0.00 0.00 64.05 60.74 2ce8 n THR 657 Cb 0.64 0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 69.41 2ce8 n THR 657 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2ce8 s SER 658 N -1.09 0.05 0.38 3.42 1.04 -1.26 -5.04 113.70 111.21 2ce8 s SER 658 Ca 0.41 -0.87 -0.27 0.00 0.48 0.00 0.00 55.95 55.70 2ce8 s SER 658 Cb 0.22 0.43 -0.11 0.00 0.10 0.00 0.00 66.02 66.66 2ce8 s SER 658 CO 0.29 -0.88 1.34 0.00 0.98 0.00 0.00 173.24 174.97 2ce8 n GLN 659 N -0.20 2.21 -3.29 4.02 6.02 -1.26 -4.43 117.38 120.44 2ce8 n GLN 659 Ca -0.08 0.78 -0.39 0.00 -0.01 0.00 0.00 57.00 57.31 2ce8 n GLN 659 Cb 0.63 -2.45 -0.07 0.00 1.02 0.00 0.00 30.24 29.38 2ce8 n GLN 659 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2ce8 s ILE 660 N -1.14 5.14 -0.08 5.09 1.09 -0.71 -0.57 121.20 130.03 2ce8 s ILE 660 Ca 0.57 0.90 0.13 0.00 -1.10 0.00 0.00 60.65 61.15 2ce8 s ILE 660 Cb -0.52 -3.81 -0.19 0.00 -1.06 0.00 0.00 42.46 36.87 2ce8 s ILE 660 CO 0.61 0.22 0.18 0.49 -0.10 0.00 0.00 174.94 176.34 2ce8 n PHE 661 N 4.48 0.00 -3.71 3.97 0.99 -0.43 -4.22 117.46 118.54 2ce8 n PHE 661 Ca -0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.28 2ce8 n PHE 661 Cb 0.51 -0.50 -0.06 0.00 -1.00 0.00 0.00 39.48 38.43 2ce8 n PHE 661 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2ce8 s SER 662 N -4.16 -0.14 0.04 4.37 1.04 -1.06 -4.57 113.70 109.21 2ce8 s SER 662 Ca -0.06 -0.32 -0.27 0.00 0.48 0.00 0.00 55.95 55.79 2ce8 s SER 662 Cb 0.07 0.41 0.07 0.00 0.10 0.00 0.00 66.02 66.67 2ce8 s SER 662 CO 0.57 -0.75 0.62 -0.22 0.98 0.00 0.00 173.24 174.44 2ce8 s LEU 663 N -2.56 -0.50 -0.18 2.42 0.20 -1.26 -0.97 118.68 115.83 2ce8 s LEU 663 Ca 0.01 0.37 -0.16 0.00 0.69 0.00 0.00 54.13 55.04 2ce8 s LEU 663 Cb 0.02 2.47 0.05 0.00 -0.43 0.00 0.00 46.19 48.29 2ce8 s LEU 663 CO -0.09 -0.75 0.47 -0.83 -0.29 0.00 0.00 176.35 174.87 2ce8 s GLY 664 N -1.85 -0.36 -0.22 7.98 0.00 -0.12 -4.74 107.32 108.01 2ce8 s GLY 664 Ca -0.06 1.34 -0.08 0.00 0.00 0.00 0.00 44.72 45.93 2ce8 s GLY 664 CO 0.00 1.17 0.08 -0.47 0.00 0.00 0.00 173.10 173.88 2ce8 s TYR 665 N 0.27 3.17 0.07 1.90 5.04 -1.26 -0.88 117.35 125.67 2ce8 s TYR 665 Ca -0.00 -0.12 -0.33 0.00 -2.44 0.00 0.00 57.07 54.18 2ce8 s TYR 665 Cb -0.03 -2.18 -0.12 0.00 0.35 0.00 0.00 41.96 39.97 2ce8 s TYR 665 CO 0.00 -0.10 1.75 0.00 -1.34 0.00 0.00 175.55 175.87 2ce8 h PRO 667 N 7.74 0.00 -0.69 0.00 0.11 -1.87 0.16 132.00 137.44 2ce8 h PRO 667 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2ce8 h PRO 667 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2ce8 h PRO 667 CO 0.92 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.96 2ce8 n THR 668 N -2.35 1.17 -0.19 -1.15 -2.24 -1.26 -4.82 114.28 103.45 2ce8 n THR 668 Ca 0.00 -1.04 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 2ce8 n THR 668 Cb 0.15 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 2ce8 n THR 668 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ce8 n GLY 669 N 1.47 -2.96 4.01 3.38 0.00 0.54 -4.98 105.19 106.64 2ce8 n GLY 669 Ca 0.24 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2ce8 n GLY 669 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ce8 n GLU 670 N -0.59 0.00 -4.37 1.61 2.13 -1.26 -4.64 120.64 113.51 2ce8 n GLU 670 Ca 0.00 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.63 2ce8 n GLU 670 Cb 0.00 -0.23 -0.14 0.00 0.27 0.00 0.00 31.44 31.33 2ce8 n GLU 670 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2ce8 s TRP 671 N -0.21 0.88 -0.14 4.31 0.52 -1.26 -0.28 118.94 122.75 2ce8 s TRP 671 Ca 0.00 -0.20 -0.01 0.00 0.02 0.00 0.00 56.10 55.91 2ce8 s TRP 671 Cb 0.00 -0.56 0.04 0.00 -1.15 0.00 0.00 33.47 31.80 2ce8 s TRP 671 CO 0.00 -0.01 -0.02 -1.17 0.02 0.00 0.00 176.95 175.77 2ce8 s LEU 672 N -0.39 1.21 0.00 2.99 2.96 -0.28 -0.69 118.68 124.48 2ce8 s LEU 672 Ca 0.03 -0.51 -0.21 0.00 -0.22 0.00 0.00 54.13 53.22 2ce8 s LEU 672 Cb -0.04 -0.72 -0.05 0.00 0.50 0.00 0.00 46.19 45.88 2ce8 s LEU 672 CO -0.00 -0.21 0.60 0.00 -1.32 0.00 0.00 176.35 175.42 2ce8 s ALA 673 N 1.78 3.49 -0.05 5.97 0.00 -0.06 0.48 121.76 133.36 2ce8 s ALA 673 Ca 0.02 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.03 2ce8 s ALA 673 Cb -0.15 -2.74 0.02 0.00 0.00 0.00 0.00 23.12 20.25 2ce8 s ALA 673 CO -0.07 0.18 -0.08 0.08 0.00 0.00 0.00 175.76 175.87 2ce8 s VAL 674 N -0.23 0.78 -0.19 0.00 1.01 0.35 -0.94 120.40 121.17 2ce8 s VAL 674 Ca 0.31 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.98 2ce8 s VAL 674 Cb -0.18 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 2ce8 s VAL 674 CO 0.17 0.28 -0.02 -0.83 0.00 0.00 0.00 175.10 174.71 2ce8 s GLY 675 N 0.82 1.70 0.14 4.51 0.00 -0.15 -0.63 107.32 113.70 2ce8 s GLY 675 Ca -0.12 -0.98 0.08 0.00 0.00 0.00 0.00 44.72 43.70 2ce8 s GLY 675 CO 0.02 0.19 -0.12 1.06 0.00 0.00 0.00 173.10 174.24 2ce8 s MET 676 N 0.92 1.99 0.49 2.90 -1.94 -0.85 -1.32 119.30 121.50 2ce8 s MET 676 Ca 0.01 -1.17 0.24 0.00 -1.71 0.00 0.00 55.69 53.05 2ce8 s MET 676 Cb -0.14 -2.19 1.30 0.00 2.01 0.00 0.00 34.83 35.81 2ce8 s MET 676 CO 0.02 0.47 1.92 1.49 -0.01 0.00 0.00 175.02 178.91 2ce8 h GLU 677 N 3.35 0.15 0.00 2.03 4.81 -1.11 -1.73 114.58 122.09 2ce8 h GLU 677 Ca -0.48 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2ce8 h GLU 677 Cb 1.18 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2ce8 h GLU 677 CO 0.51 0.10 0.00 0.66 -0.73 0.00 0.00 179.01 179.55 2ce8 h SER 678 N 0.16 0.00 0.00 1.04 4.64 -1.89 -3.29 113.55 114.20 2ce8 h SER 678 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2ce8 h SER 678 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2ce8 h SER 678 CO -0.06 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.36 2ce8 n SER 679 N -2.66 0.00 -4.78 4.97 3.41 -0.70 -4.85 113.62 109.00 2ce8 n SER 679 Ca -0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 2ce8 n SER 679 Cb 0.17 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.07 2ce8 n SER 679 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2ce8 s ASN 680 N -1.43 6.84 -0.22 4.04 -0.87 -1.26 -4.26 114.94 117.79 2ce8 s ASN 680 Ca 0.00 2.04 -0.08 0.00 -1.57 0.00 0.00 52.86 53.25 2ce8 s ASN 680 Cb 0.00 -2.59 -0.04 0.00 -0.02 0.00 0.00 41.25 38.60 2ce8 s ASN 680 CO 0.00 -0.43 0.08 -0.69 -2.57 0.00 0.00 177.10 173.49 2ce8 s VAL 681 N -1.62 4.68 -0.15 1.60 1.01 -0.90 -2.00 120.40 123.03 2ce8 s VAL 681 Ca 0.56 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.45 2ce8 s VAL 681 Cb -0.22 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 2ce8 s VAL 681 CO 0.28 0.39 -0.06 -1.61 0.00 0.00 0.00 175.10 174.11 2ce8 s GLU 682 N 0.97 3.60 -0.40 2.72 0.41 0.19 -0.55 118.70 125.63 2ce8 s GLU 682 Ca 0.04 -0.56 -0.10 0.00 -0.41 0.00 0.00 54.97 53.94 2ce8 s GLU 682 Cb -0.14 -2.85 0.06 0.00 -1.78 0.00 0.00 34.13 29.42 2ce8 s GLU 682 CO 0.03 0.22 0.24 0.08 -0.49 0.00 0.00 175.26 175.34 2ce8 s VAL 683 N 0.40 4.39 0.03 2.63 1.01 0.10 -0.50 120.40 128.46 2ce8 s VAL 683 Ca -0.05 -1.18 -0.23 0.00 0.00 0.00 0.00 61.98 60.52 2ce8 s VAL 683 Cb -0.15 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 2ce8 s VAL 683 CO 0.03 -0.40 0.68 -0.76 0.00 0.00 0.00 175.10 174.65 2ce8 s LEU 684 N 1.48 4.44 -0.48 3.92 1.02 0.18 -0.88 118.68 128.36 2ce8 s LEU 684 Ca 0.02 1.32 -0.28 0.00 0.02 0.00 0.00 54.13 55.21 2ce8 s LEU 684 Cb -0.22 -3.08 0.03 0.00 0.02 0.00 0.00 46.19 42.94 2ce8 s LEU 684 CO 0.04 0.07 1.06 -2.28 0.02 0.00 0.00 176.35 175.26 2ce8 s HIS 685 N -0.17 2.84 0.09 0.29 2.46 -1.08 -1.13 115.29 118.59 2ce8 s HIS 685 Ca 0.35 0.55 -0.32 0.00 0.47 0.00 0.00 55.06 56.11 2ce8 s HIS 685 Cb -0.19 -4.27 -0.11 0.00 -0.13 0.00 0.00 32.58 27.87 2ce8 s HIS 685 CO 0.20 -1.24 1.82 0.28 -2.47 0.00 0.00 174.74 173.33 2ce8 n VAL 686 N 6.68 0.37 -1.00 0.89 0.31 0.61 -1.87 118.33 124.32 2ce8 n VAL 686 Ca 0.09 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2ce8 n VAL 686 Cb 0.49 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 2ce8 n VAL 686 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2ce8 n ASN 687 N 5.60 -3.94 -4.34 4.52 3.02 -1.26 -4.95 115.26 113.90 2ce8 n ASN 687 Ca 0.19 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.56 2ce8 n ASN 687 Cb 0.35 -1.51 -0.10 0.00 -0.61 0.00 0.00 39.78 37.91 2ce8 n ASN 687 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ce8 s LYS 688 N -0.67 1.32 0.10 3.52 3.01 -0.78 -5.08 119.74 121.15 2ce8 s LYS 688 Ca 0.00 -1.59 0.25 0.00 -1.01 0.00 0.00 55.97 53.62 2ce8 s LYS 688 Cb 0.00 -1.07 0.61 0.00 -1.01 0.00 0.00 37.83 36.36 2ce8 s LYS 688 CO 0.00 0.16 1.53 -0.35 0.51 0.00 0.00 175.35 177.20 2ce8 n PRO 689 N -0.38 0.19 -3.41 -1.68 -0.04 -1.26 -4.65 135.00 123.78 2ce8 n PRO 689 Ca -0.08 0.09 -0.19 0.00 -0.04 0.00 0.00 63.50 63.28 2ce8 n PRO 689 Cb 0.61 -1.65 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 2ce8 n PRO 689 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2ce8 s ASP 690 N -3.90 5.51 0.24 3.54 -4.77 -1.26 -3.95 116.67 112.07 2ce8 s ASP 690 Ca 0.09 -0.46 -0.22 0.00 -3.30 0.00 0.00 52.55 48.66 2ce8 s ASP 690 Cb 0.15 -0.83 0.04 0.00 -1.09 0.00 0.00 42.92 41.18 2ce8 s ASP 690 CO 0.66 -0.58 0.69 -1.59 0.70 0.00 0.00 175.17 175.05 2ce8 s LYS 691 N -4.19 1.61 0.02 2.11 -2.85 -0.77 -2.62 119.74 113.05 2ce8 s LYS 691 Ca 0.48 -0.82 0.01 0.00 -1.00 0.00 0.00 55.97 54.65 2ce8 s LYS 691 Cb -0.07 0.60 -0.04 0.00 -2.06 0.00 0.00 37.83 36.26 2ce8 s LYS 691 CO 0.30 -0.73 0.03 0.71 0.10 0.00 0.00 175.35 175.76 2ce8 s TYR 692 N -3.85 3.14 -0.10 1.78 1.51 -0.06 0.12 117.35 119.91 2ce8 s TYR 692 Ca 0.08 0.11 0.03 0.00 -1.01 0.00 0.00 57.07 56.28 2ce8 s TYR 692 Cb -0.04 -1.67 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 2ce8 s TYR 692 CO 0.01 0.50 -0.20 -0.65 -1.11 0.00 0.00 175.55 174.09 2ce8 s GLN 693 N -1.80 2.66 -0.09 -0.62 -0.21 0.06 -0.72 119.66 118.94 2ce8 s GLN 693 Ca 0.22 -0.74 0.04 0.00 0.02 0.00 0.00 55.36 54.91 2ce8 s GLN 693 Cb -0.12 -2.06 -0.00 0.00 1.00 0.00 0.00 33.01 31.82 2ce8 s GLN 693 CO 0.14 0.11 -0.24 -0.51 -2.12 0.00 0.00 175.29 172.67 2ce8 s LEU 694 N 0.50 2.11 -0.61 2.90 1.43 0.29 -1.61 118.68 123.68 2ce8 s LEU 694 Ca -0.16 -0.54 0.06 0.00 -1.03 0.00 0.00 54.13 52.46 2ce8 s LEU 694 Cb -0.17 -1.41 0.21 0.00 0.03 0.00 0.00 46.19 44.85 2ce8 s LEU 694 CO 0.06 0.18 0.58 1.41 0.23 0.00 0.00 176.35 178.82 2ce8 n HIS 695 N 3.38 2.50 -0.99 0.29 8.25 0.43 -2.11 115.22 126.97 2ce8 n HIS 695 Ca -0.19 -4.05 0.04 0.00 -0.26 0.00 0.00 57.72 53.27 2ce8 n HIS 695 Cb 0.53 -0.46 0.06 0.00 1.12 0.00 0.00 29.99 31.23 2ce8 n HIS 695 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2ce8 n LEU 696 N 1.55 1.46 -4.47 2.41 4.77 -1.26 -4.81 117.00 116.65 2ce8 n LEU 696 Ca 0.25 -1.98 -0.32 0.00 -0.03 0.00 0.00 56.01 53.94 2ce8 n LEU 696 Cb 0.41 -0.18 -0.13 0.00 -2.33 0.00 0.00 43.42 41.20 2ce8 n LEU 696 CO 0.29 0.47 -0.47 -1.00 -1.33 0.00 0.00 177.39 175.35 2ce8 s HIS 697 N -1.43 2.63 -2.43 -1.77 3.76 -1.26 -5.02 115.29 109.77 2ce8 s HIS 697 Ca 0.13 -0.21 0.23 0.00 -0.15 0.00 0.00 55.06 55.06 2ce8 s HIS 697 Cb 0.11 -1.54 0.07 0.00 1.11 0.00 0.00 32.58 32.34 2ce8 s HIS 697 CO 0.01 0.22 1.15 0.39 -0.85 0.00 0.00 174.74 175.67 2ce8 n GLU 698 N 1.86 1.69 -2.65 1.40 1.02 -1.26 -4.84 120.64 117.87 2ce8 n GLU 698 Ca -0.16 -1.39 -0.07 0.00 -0.02 0.00 0.00 57.16 55.52 2ce8 n GLU 698 Cb 0.52 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.46 2ce8 n GLU 698 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2ce8 n SER 699 N 0.57 -0.53 -4.57 1.62 2.88 -1.26 -4.97 113.62 107.36 2ce8 n SER 699 Ca 0.11 -1.82 -0.48 0.00 -1.33 0.00 0.00 58.87 55.35 2ce8 n SER 699 Cb 0.52 1.01 -0.04 0.00 -0.75 0.00 0.00 64.21 64.96 2ce8 n SER 699 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ce8 s VAL 701 N -0.32 4.49 0.02 0.00 1.01 -0.89 -1.28 120.40 123.42 2ce8 s VAL 701 Ca 0.71 0.20 0.10 0.00 0.00 0.00 0.00 61.98 62.99 2ce8 s VAL 701 Cb -0.84 -4.48 -0.22 0.00 0.00 0.00 0.00 36.38 30.84 2ce8 s VAL 701 CO 0.53 -1.02 0.89 -0.07 0.00 0.00 0.00 175.10 175.43 2ce8 h LEU 702 N 10.70 0.00 -7.65 3.92 3.38 -0.52 -3.37 115.31 121.78 2ce8 h LEU 702 Ca -0.26 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 2ce8 h LEU 702 Cb 1.08 -0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.71 2ce8 h LEU 702 CO 1.06 1.00 -0.04 -0.94 0.09 0.00 0.00 178.44 179.61 2ce8 s SER 703 N -6.32 -0.21 -0.10 -0.43 1.04 -1.21 -4.46 113.70 102.01 2ce8 s SER 703 Ca -0.03 -0.49 -0.27 0.00 0.48 0.00 0.00 55.95 55.64 2ce8 s SER 703 Cb 0.09 0.53 0.06 0.00 0.10 0.00 0.00 66.02 66.80 2ce8 s SER 703 CO 0.82 -0.98 0.64 -0.22 0.98 0.00 0.00 173.24 174.49 2ce8 s LEU 704 N -2.87 -0.48 -0.23 2.42 0.20 -1.26 -0.41 118.68 116.05 2ce8 s LEU 704 Ca 0.08 0.82 -0.15 0.00 0.69 0.00 0.00 54.13 55.57 2ce8 s LEU 704 Cb 0.00 2.34 0.07 0.00 -0.43 0.00 0.00 46.19 48.18 2ce8 s LEU 704 CO -0.05 -0.50 0.58 -0.75 -0.29 0.00 0.00 176.35 175.34 2ce8 s LYS 705 N -0.80 0.60 0.40 1.98 2.47 -0.25 -4.74 119.74 119.40 2ce8 s LYS 705 Ca -0.08 0.99 -0.24 0.00 -1.56 0.00 0.00 55.97 55.08 2ce8 s LYS 705 Cb -0.02 0.13 -0.09 0.00 -1.46 0.00 0.00 37.83 36.40 2ce8 s LYS 705 CO 0.07 -0.14 1.06 -0.06 0.16 0.00 0.00 175.35 176.44 2ce8 s PHE 706 N 1.25 3.25 0.60 4.03 0.40 -1.26 -1.33 117.98 124.92 2ce8 s PHE 706 Ca -0.07 1.64 -0.20 0.00 -0.60 0.00 0.00 56.93 57.69 2ce8 s PHE 706 Cb -0.06 -3.14 -0.03 0.00 0.51 0.00 0.00 43.02 40.30 2ce8 s PHE 706 CO -0.13 -0.67 1.31 0.00 0.70 0.00 0.00 175.22 176.43 2ce8 s ALA 707 N -1.65 2.58 0.44 5.36 0.00 -0.25 -4.83 121.76 123.41 2ce8 s ALA 707 Ca 0.58 1.25 0.13 0.00 0.00 0.00 0.00 51.96 53.92 2ce8 s ALA 707 Cb -0.22 -3.55 0.98 0.00 0.00 0.00 0.00 23.12 20.33 2ce8 s ALA 707 CO 0.28 -1.46 1.99 1.88 0.00 0.00 0.00 175.76 178.46 2ce8 h TYR 708 N 0.97 0.06 0.00 0.00 -1.99 -1.87 0.11 116.97 114.25 2ce8 h TYR 708 Ca -0.51 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.22 2ce8 h TYR 708 Cb 1.32 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.03 2ce8 h TYR 708 CO 0.44 0.20 0.00 0.00 -0.00 0.00 0.00 178.16 178.80 2ce8 n GLY 710 N 0.27 1.10 0.07 0.00 0.00 0.37 -4.78 105.19 102.21 2ce8 n GLY 710 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 2ce8 n GLY 710 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ce8 n LYS 711 N -2.00 0.17 -3.78 1.61 5.02 -1.26 -4.68 118.16 113.25 2ce8 n LYS 711 Ca 0.00 0.14 -0.08 0.00 -2.02 0.00 0.00 58.31 56.35 2ce8 n LYS 711 Cb 0.00 -1.70 -0.02 0.00 -0.02 0.00 0.00 35.03 33.29 2ce8 n LYS 711 CO 0.00 0.00 0.00 1.67 -0.52 0.00 0.00 177.40 178.55 2ce8 s TRP 712 N -3.07 -0.24 0.27 2.13 1.48 -1.26 -1.31 118.94 116.95 2ce8 s TRP 712 Ca 0.12 -0.17 -0.17 0.00 -1.06 0.00 0.00 56.10 54.82 2ce8 s TRP 712 Cb 0.15 0.65 0.01 0.00 -1.16 0.00 0.00 33.47 33.12 2ce8 s TRP 712 CO 0.58 -1.15 0.62 -0.59 -4.06 0.00 0.00 176.95 172.35 2ce8 s PHE 713 N -3.89 0.06 0.19 1.66 -0.12 -0.38 -1.09 117.98 114.41 2ce8 s PHE 713 Ca 0.09 -0.48 0.10 0.00 -0.05 0.00 0.00 56.93 56.59 2ce8 s PHE 713 Cb -0.05 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 2ce8 s PHE 713 CO 0.03 -1.14 -0.20 0.14 -0.05 0.00 0.00 175.22 174.01 2ce8 s VAL 714 N -3.94 2.03 0.09 -2.49 -7.23 -0.44 -0.37 120.40 108.06 2ce8 s VAL 714 Ca 0.16 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.33 2ce8 s VAL 714 Cb -0.04 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 2ce8 s VAL 714 CO 0.08 -0.31 -0.11 -0.94 -0.31 0.00 0.00 175.10 173.52 2ce8 s SER 715 N -2.85 1.50 0.01 4.85 1.04 -0.03 -1.09 113.70 117.14 2ce8 s SER 715 Ca 0.20 -0.78 0.06 0.00 0.48 0.00 0.00 55.95 55.90 2ce8 s SER 715 Cb -0.06 -0.00 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 2ce8 s SER 715 CO 0.09 -0.23 -0.18 0.42 0.98 0.00 0.00 173.24 174.31 2ce8 s THR 716 N -2.25 1.44 0.17 2.02 -4.23 0.45 -0.96 115.64 112.28 2ce8 s THR 716 Ca 0.04 -0.94 0.10 0.00 -1.18 0.00 0.00 61.69 59.72 2ce8 s THR 716 Cb -0.04 -1.23 -0.04 0.00 1.34 0.00 0.00 72.50 72.53 2ce8 s THR 716 CO 0.01 0.27 -0.23 -0.83 -0.54 0.00 0.00 174.62 173.30 2ce8 s GLY 717 N -0.78 1.59 0.52 3.99 0.00 -0.07 0.19 107.32 112.76 2ce8 s GLY 717 Ca 0.06 -1.56 0.33 0.00 0.00 0.00 0.00 44.72 43.55 2ce8 s GLY 717 CO 0.00 -1.58 2.00 1.70 0.00 0.00 0.00 173.10 175.22 2ce8 h LYS 718 N 3.36 0.00 -0.00 2.90 3.64 -1.38 0.10 116.57 125.19 2ce8 h LYS 718 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2ce8 h LYS 718 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2ce8 h LYS 718 CO 0.47 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.25 2ce8 n ASP 719 N -2.70 0.02 0.00 4.20 5.75 -1.26 -4.35 116.55 118.20 2ce8 n ASP 719 Ca -0.02 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 2ce8 n ASP 719 Cb 0.11 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 2ce8 n ASP 719 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2ce8 n ASN 720 N -0.71 -0.91 -4.80 -1.12 5.03 -0.58 -4.94 115.26 107.24 2ce8 n ASN 720 Ca 0.10 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.19 2ce8 n ASN 720 Cb 0.05 -0.15 -0.07 0.00 -1.02 0.00 0.00 39.78 38.59 2ce8 n ASN 720 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2ce8 s LEU 721 N 0.00 4.19 -0.36 3.41 1.43 -1.25 -0.35 118.68 125.75 2ce8 s LEU 721 Ca 0.00 0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 53.32 2ce8 s LEU 721 Cb 0.00 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.19 2ce8 s LEU 721 CO 0.00 0.33 0.23 -0.22 0.23 0.00 0.00 176.35 176.93 2ce8 s LEU 722 N -0.58 4.68 -0.15 1.79 2.96 -0.10 -0.89 118.68 126.38 2ce8 s LEU 722 Ca 0.12 -0.73 -0.03 0.00 -0.22 0.00 0.00 54.13 53.27 2ce8 s LEU 722 Cb -0.12 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 2ce8 s LEU 722 CO 0.02 -0.33 -0.05 0.20 -1.32 0.00 0.00 176.35 174.87 2ce8 s ASN 723 N 1.65 4.68 -0.12 3.68 0.02 -0.13 -0.39 114.94 124.32 2ce8 s ASN 723 Ca 0.04 -0.16 -0.05 0.00 -1.02 0.00 0.00 52.86 51.68 2ce8 s ASN 723 Cb -0.18 -1.75 -0.04 0.00 0.02 0.00 0.00 41.25 39.30 2ce8 s ASN 723 CO 0.09 0.17 0.05 0.00 0.02 0.00 0.00 177.10 177.43 2ce8 s ALA 724 N 0.35 3.47 -0.03 0.60 0.00 -0.16 -0.85 121.76 125.15 2ce8 s ALA 724 Ca -0.05 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.19 2ce8 s ALA 724 Cb -0.14 -1.73 0.01 0.00 0.00 0.00 0.00 23.12 21.25 2ce8 s ALA 724 CO 0.03 0.48 -0.08 -1.58 0.00 0.00 0.00 175.76 174.62 2ce8 s TRP 725 N -0.56 0.85 0.16 0.00 0.52 0.51 -0.64 118.94 119.77 2ce8 s TRP 725 Ca 0.11 -0.21 -0.30 0.00 0.02 0.00 0.00 56.10 55.71 2ce8 s TRP 725 Cb -0.12 -0.63 -0.08 0.00 -1.15 0.00 0.00 33.47 31.50 2ce8 s TRP 725 CO 0.02 -0.10 1.27 0.50 0.02 0.00 0.00 176.95 178.66 2ce8 s ARG 726 N 0.28 4.41 0.05 4.98 6.06 0.13 -1.25 118.95 133.61 2ce8 s ARG 726 Ca -0.04 1.96 -0.27 0.00 -2.50 0.00 0.00 55.73 54.88 2ce8 s ARG 726 Cb -0.09 -3.24 -0.05 0.00 0.06 0.00 0.00 34.95 31.63 2ce8 s ARG 726 CO 0.00 -0.24 0.83 0.99 -2.50 0.00 0.00 175.30 174.39 2ce8 s THR 727 N 0.41 4.70 -0.33 4.11 2.01 -0.42 -0.15 115.64 125.98 2ce8 s THR 727 Ca 0.57 1.77 0.22 0.00 0.31 0.00 0.00 61.69 64.57 2ce8 s THR 727 Cb -0.34 -4.18 -0.23 0.00 0.01 0.00 0.00 72.50 67.75 2ce8 s THR 727 CO 0.35 0.33 0.73 -0.81 -0.69 0.00 0.00 174.62 174.52 2ce8 n PRO 728 N 2.97 0.47 0.00 4.92 -0.04 -1.26 -4.87 135.00 137.19 2ce8 n PRO 728 Ca -0.00 -0.09 0.15 0.00 -0.04 0.00 0.00 63.50 63.52 2ce8 n PRO 728 Cb 0.50 -1.57 0.71 0.00 -0.04 0.00 0.00 33.50 33.10 2ce8 n PRO 728 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2ce8 n TYR 729 N -2.13 0.00 -2.84 0.54 0.18 -1.20 -4.82 117.16 106.89 2ce8 n TYR 729 Ca -0.01 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.65 2ce8 n TYR 729 Cb 0.50 -0.17 0.03 0.00 -0.38 0.00 0.00 39.34 39.32 2ce8 n TYR 729 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2ce8 n GLY 730 N 1.23 0.14 3.71 -7.48 0.00 0.79 -4.73 105.19 98.86 2ce8 n GLY 730 Ca 0.16 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2ce8 n GLY 730 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ce8 n ALA 731 N -3.21 1.48 -2.60 4.61 0.00 -1.26 -4.66 120.51 114.88 2ce8 n ALA 731 Ca -0.03 0.34 -0.43 0.00 0.00 0.00 0.00 53.44 53.32 2ce8 n ALA 731 Cb 0.55 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.67 2ce8 n ALA 731 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ce8 s SER 732 N -0.32 6.46 -0.02 0.00 0.15 -1.26 -0.69 113.70 118.02 2ce8 s SER 732 Ca 0.56 0.01 -0.09 0.00 0.70 0.00 0.00 55.95 57.14 2ce8 s SER 732 Cb -0.54 -2.47 -0.30 0.00 -1.71 0.00 0.00 66.02 61.00 2ce8 s SER 732 CO 0.62 -1.19 0.78 0.40 1.20 0.00 0.00 173.24 175.05 2ce8 h ILE 733 N 6.09 1.06 -2.77 6.45 2.04 -1.23 -3.48 117.51 125.67 2ce8 h ILE 733 Ca -0.25 -2.65 0.08 0.00 1.00 0.00 0.00 64.86 63.05 2ce8 h ILE 733 Cb 1.07 2.80 -0.08 0.00 -0.74 0.00 0.00 36.82 39.87 2ce8 h ILE 733 CO 1.08 0.84 0.31 0.72 0.00 0.00 0.00 178.15 181.10 2ce8 s PHE 734 N -2.60 -0.25 0.01 1.37 -0.12 -1.22 -4.90 117.98 110.26 2ce8 s PHE 734 Ca -0.12 -0.09 0.01 0.00 -0.05 0.00 0.00 56.93 56.68 2ce8 s PHE 734 Cb 0.06 0.65 -0.01 0.00 -0.63 0.00 0.00 43.02 43.09 2ce8 s PHE 734 CO 0.87 -1.00 -0.05 -0.65 -0.05 0.00 0.00 175.22 174.34 2ce8 s GLN 735 N -3.66 0.36 -0.08 1.99 -0.21 -1.26 -0.98 119.66 115.81 2ce8 s GLN 735 Ca 0.09 -0.35 0.01 0.00 0.02 0.00 0.00 55.36 55.13 2ce8 s GLN 735 Cb -0.03 -0.25 0.02 0.00 1.00 0.00 0.00 33.01 33.75 2ce8 s GLN 735 CO 0.01 0.06 -0.10 0.45 -2.12 0.00 0.00 175.29 173.59 2ce8 s SER 736 N -0.63 1.85 -0.34 5.90 0.15 0.47 -5.01 113.70 116.10 2ce8 s SER 736 Ca -0.03 -0.29 -0.15 0.00 0.70 0.00 0.00 55.95 56.18 2ce8 s SER 736 Cb -0.05 -0.80 -0.01 0.00 -1.71 0.00 0.00 66.02 63.45 2ce8 s SER 736 CO -0.00 -0.03 0.38 -0.75 1.20 0.00 0.00 173.24 174.04 2ce8 s LYS 737 N 1.07 3.61 0.65 5.44 2.47 -1.26 -0.93 119.74 130.79 2ce8 s LYS 737 Ca -0.07 -0.35 0.00 0.00 -1.56 0.00 0.00 55.97 53.99 2ce8 s LYS 737 Cb -0.14 -3.79 0.09 0.00 -1.46 0.00 0.00 37.83 32.53 2ce8 s LYS 737 CO -0.01 -0.51 0.91 -1.21 0.16 0.00 0.00 175.35 174.69 2ce8 s GLU 738 N 2.06 2.02 0.52 4.03 2.02 0.53 -5.01 118.70 124.87 2ce8 s GLU 738 Ca 0.13 -1.02 0.28 0.00 0.02 0.00 0.00 54.97 54.38 2ce8 s GLU 738 Cb -0.16 -2.40 1.44 0.00 0.10 0.00 0.00 34.13 33.10 2ce8 s GLU 738 CO 0.12 -1.16 2.05 0.66 0.02 0.00 0.00 175.26 176.95 2ce8 h SER 739 N -0.28 0.00 -3.71 -0.19 4.64 -1.98 -3.46 113.55 108.56 2ce8 h SER 739 Ca -0.38 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.71 2ce8 h SER 739 Cb 1.28 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.32 2ce8 h SER 739 CO 0.45 0.12 -0.08 -0.24 -0.87 0.00 0.00 176.83 176.21 2ce8 n SER 740 N -3.54 -1.42 -4.49 4.97 2.88 -1.26 -4.98 113.62 105.78 2ce8 n SER 740 Ca -0.01 -2.75 -0.55 0.00 -1.33 0.00 0.00 58.87 54.23 2ce8 n SER 740 Cb 0.26 2.59 -0.06 0.00 -0.75 0.00 0.00 64.21 66.24 2ce8 n SER 740 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2ce8 n SER 741 N -1.63 -0.11 -4.25 -3.46 2.88 -1.26 -4.08 113.62 101.71 2ce8 n SER 741 Ca -0.01 1.15 -0.38 0.00 -1.33 0.00 0.00 58.87 58.30 2ce8 n SER 741 Cb 0.56 -0.97 -0.12 0.00 -0.75 0.00 0.00 64.21 62.93 2ce8 n SER 741 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2ce8 s VAL 742 N -0.24 3.82 -0.14 2.46 1.01 -0.08 -0.61 120.40 126.61 2ce8 s VAL 742 Ca 0.82 -1.35 0.17 0.00 0.00 0.00 0.00 61.98 61.63 2ce8 s VAL 742 Cb -1.13 -3.28 -0.09 0.00 0.00 0.00 0.00 36.38 31.89 2ce8 s VAL 742 CO 0.56 -0.34 0.95 -0.07 0.00 0.00 0.00 175.10 176.19 2ce8 h LEU 743 N 8.24 0.00 -7.43 3.92 4.07 -1.27 -3.31 115.31 119.54 2ce8 h LEU 743 Ca -0.22 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.68 2ce8 h LEU 743 Cb 1.08 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.68 2ce8 h LEU 743 CO 0.66 0.50 -0.10 -0.94 -1.08 0.00 0.00 178.44 177.47 2ce8 s SER 744 N -5.84 -0.21 0.17 -0.43 1.04 -1.24 -4.35 113.70 102.84 2ce8 s SER 744 Ca -0.02 -0.28 -0.14 0.00 0.48 0.00 0.00 55.95 55.99 2ce8 s SER 744 Cb 0.09 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.67 2ce8 s SER 744 CO 0.80 -0.80 0.41 0.00 0.98 0.00 0.00 173.24 174.62 2ce8 s ASP 746 N -2.90 0.20 -0.05 0.00 2.15 -0.12 -4.70 116.67 111.26 2ce8 s ASP 746 Ca 0.11 -0.60 0.05 0.00 0.43 0.00 0.00 52.55 52.54 2ce8 s ASP 746 Cb 0.01 0.24 -0.02 0.00 -0.30 0.00 0.00 42.92 42.86 2ce8 s ASP 746 CO -0.03 -0.55 -0.20 -0.63 -0.17 0.00 0.00 175.17 173.58 2ce8 s ILE 747 N -2.95 2.50 0.81 4.11 1.01 -1.26 -1.63 121.20 123.78 2ce8 s ILE 747 Ca -0.02 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.60 2ce8 s ILE 747 Cb 0.01 -1.94 0.08 0.00 0.01 0.00 0.00 42.46 40.62 2ce8 s ILE 747 CO -0.06 0.58 1.11 -0.94 0.00 0.00 0.00 174.94 175.62 2ce8 s SER 748 N -0.45 4.10 0.54 3.58 1.04 -0.56 -4.91 113.70 117.04 2ce8 s SER 748 Ca 0.05 1.93 0.32 0.00 0.48 0.00 0.00 55.95 58.73 2ce8 s SER 748 Cb -0.12 -2.53 1.51 0.00 0.10 0.00 0.00 66.02 64.98 2ce8 s SER 748 CO 0.01 -2.31 2.05 -0.37 0.98 0.00 0.00 173.24 173.61 2ce8 h VAL 749 N -1.29 0.27 -0.01 5.02 -1.51 -1.91 -0.31 116.25 116.50 2ce8 h VAL 749 Ca -0.43 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.50 2ce8 h VAL 749 Cb 1.24 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 2ce8 h VAL 749 CO 0.49 0.07 -0.12 -0.90 -1.23 0.00 0.00 177.57 175.89 2ce8 n ASP 750 N -3.31 0.85 -0.80 4.19 5.68 -1.26 -4.79 116.55 117.10 2ce8 n ASP 750 Ca -0.01 -0.93 -0.10 0.00 -0.50 0.00 0.00 54.79 53.24 2ce8 n ASP 750 Cb 0.26 0.01 -0.04 0.00 -1.14 0.00 0.00 41.12 40.21 2ce8 n ASP 750 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2ce8 n ASP 751 N -0.59 -4.61 0.04 -1.12 8.00 -0.13 -4.88 116.55 113.25 2ce8 n ASP 751 Ca 0.16 0.26 0.11 0.00 0.71 0.00 0.00 54.79 56.03 2ce8 n ASP 751 Cb 0.30 -3.03 -0.07 0.00 -0.02 0.00 0.00 41.12 38.30 2ce8 n ASP 751 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2ce8 n LYS 752 N -2.22 0.54 -4.12 -1.24 5.02 -1.26 -4.79 118.16 110.09 2ce8 n LYS 752 Ca -0.10 -0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 56.00 2ce8 n LYS 752 Cb 0.40 -1.63 -0.13 0.00 -0.02 0.00 0.00 35.03 33.65 2ce8 n LYS 752 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2ce8 s TYR 753 N -3.38 0.65 -0.03 2.13 1.51 -1.26 -0.38 117.35 116.58 2ce8 s TYR 753 Ca -0.02 -0.35 0.06 0.00 -1.01 0.00 0.00 57.07 55.75 2ce8 s TYR 753 Cb 0.13 -0.39 -0.01 0.00 -0.11 0.00 0.00 41.96 41.57 2ce8 s TYR 753 CO 0.85 -0.05 -0.23 0.42 -1.11 0.00 0.00 175.55 175.43 2ce8 s ILE 754 N -0.92 1.86 -0.04 2.71 1.01 -0.52 -1.49 121.20 123.80 2ce8 s ILE 754 Ca -0.05 -0.98 0.07 0.00 0.00 0.00 0.00 60.65 59.68 2ce8 s ILE 754 Cb -0.07 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 2ce8 s ILE 754 CO 0.00 0.52 -0.24 -0.69 0.00 0.00 0.00 174.94 174.54 2ce8 s VAL 755 N -0.33 1.93 0.09 2.92 1.01 -0.65 -0.12 120.40 125.25 2ce8 s VAL 755 Ca 0.03 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 61.08 2ce8 s VAL 755 Cb -0.11 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 2ce8 s VAL 755 CO 0.01 0.54 -0.23 0.42 0.00 0.00 0.00 175.10 175.84 2ce8 s THR 756 N -0.32 1.88 -0.09 3.92 -4.23 -0.66 -0.94 115.64 115.20 2ce8 s THR 756 Ca 0.02 -1.50 -0.05 0.00 -1.18 0.00 0.00 61.69 58.98 2ce8 s THR 756 Cb -0.12 -1.67 -0.04 0.00 1.34 0.00 0.00 72.50 72.01 2ce8 s THR 756 CO 0.02 0.09 0.13 -0.83 -0.54 0.00 0.00 174.62 173.48 2ce8 s GLY 757 N -1.69 2.12 0.08 3.99 0.00 0.24 -1.16 107.32 110.90 2ce8 s GLY 757 Ca 0.09 -0.69 0.09 0.00 0.00 0.00 0.00 44.72 44.21 2ce8 s GLY 757 CO 0.04 -0.47 -0.23 -0.45 0.00 0.00 0.00 173.10 171.99 2ce8 s SER 758 N -1.19 3.50 0.41 1.64 0.15 0.41 -0.89 113.70 117.73 2ce8 s SER 758 Ca 0.17 -0.58 0.28 0.00 0.70 0.00 0.00 55.95 56.52 2ce8 s SER 758 Cb -0.12 -0.40 1.44 0.00 -1.71 0.00 0.00 66.02 65.23 2ce8 s SER 758 CO 0.07 0.22 1.86 1.23 1.20 0.00 0.00 173.24 177.81 2ce8 h GLY 759 N 4.29 0.00 -1.98 9.45 0.00 -1.15 -2.40 103.07 111.28 2ce8 h GLY 759 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2ce8 h GLY 759 CO 0.44 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.20 2ce8 n ASP 760 N -2.50 2.86 -2.73 0.19 8.00 -1.26 -4.79 116.55 116.31 2ce8 n ASP 760 Ca -0.01 -2.35 -0.15 0.00 0.71 0.00 0.00 54.79 52.98 2ce8 n ASP 760 Cb 0.09 -0.54 0.06 0.00 -0.02 0.00 0.00 41.12 40.71 2ce8 n ASP 760 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2ce8 n LYS 761 N 0.28 -5.40 -3.99 -1.24 5.02 -0.94 -4.93 118.16 106.96 2ce8 n LYS 761 Ca 0.12 0.60 -0.09 0.00 -2.02 0.00 0.00 58.31 56.91 2ce8 n LYS 761 Cb 0.61 -4.93 -0.05 0.00 -0.02 0.00 0.00 35.03 30.64 2ce8 n LYS 761 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2ce8 s LYS 762 N -5.61 1.63 0.19 1.97 -2.85 -1.25 -1.10 119.74 112.72 2ce8 s LYS 762 Ca 0.27 -1.30 0.09 0.00 -1.00 0.00 0.00 55.97 54.03 2ce8 s LYS 762 Cb -0.12 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 2ce8 s LYS 762 CO 0.52 -0.68 -0.17 0.00 0.10 0.00 0.00 175.35 175.12 2ce8 s ALA 763 N -3.84 2.11 -0.07 0.59 0.00 -0.24 -0.44 121.76 119.86 2ce8 s ALA 763 Ca 0.22 -1.59 0.05 0.00 0.00 0.00 0.00 51.96 50.64 2ce8 s ALA 763 Cb -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 2ce8 s ALA 763 CO 0.10 0.19 -0.23 0.99 0.00 0.00 0.00 175.76 176.82 2ce8 s THR 764 N -2.38 1.90 -0.17 0.00 2.01 -0.31 -0.40 115.64 116.29 2ce8 s THR 764 Ca 0.20 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 61.16 2ce8 s THR 764 Cb -0.04 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 2ce8 s THR 764 CO 0.08 0.53 0.06 -0.69 -0.69 0.00 0.00 174.62 173.91 2ce8 s VAL 765 N 0.09 4.79 -0.09 3.82 1.01 -0.03 -1.66 120.40 128.33 2ce8 s VAL 765 Ca -0.10 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.87 2ce8 s VAL 765 Cb -0.15 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 2ce8 s VAL 765 CO 0.05 0.48 -0.17 -0.31 0.00 0.00 0.00 175.10 175.16 2ce8 s TYR 766 N 0.20 2.69 -0.15 5.22 1.51 0.83 -0.04 117.35 127.61 2ce8 s TYR 766 Ca 0.04 -0.57 -0.23 0.00 -1.01 0.00 0.00 57.07 55.30 2ce8 s TYR 766 Cb -0.12 -1.73 -0.02 0.00 -0.11 0.00 0.00 41.96 39.97 2ce8 s TYR 766 CO 0.00 -0.13 0.73 -2.00 -1.11 0.00 0.00 175.55 173.05 2ce8 s GLU 767 N -0.02 4.31 -0.35 -0.62 2.12 0.59 -1.44 118.70 123.28 2ce8 s GLU 767 Ca -0.05 0.85 -0.29 0.00 0.36 0.00 0.00 54.97 55.85 2ce8 s GLU 767 Cb -0.14 -3.54 0.02 0.00 0.26 0.00 0.00 34.13 30.72 2ce8 s GLU 767 CO 0.04 -0.19 1.12 0.08 -0.54 0.00 0.00 175.26 175.78 2ce8 s VAL 768 N 1.70 4.38 -0.33 3.70 1.01 0.49 -0.49 120.40 130.86 2ce8 s VAL 768 Ca 0.35 1.56 -0.18 0.00 0.00 0.00 0.00 61.98 63.71 2ce8 s VAL 768 Cb -0.17 -4.42 -0.01 0.00 0.00 0.00 0.00 36.38 31.79 2ce8 s VAL 768 CO 0.13 -0.60 0.50 -0.63 0.00 0.00 0.00 175.10 174.50 2ce8 s ILE 769 N 3.95 5.04 -2.87 2.22 -1.09 0.12 -4.90 121.20 123.66 2ce8 s ILE 769 Ca 0.48 0.43 0.25 0.00 -2.23 0.00 0.00 60.65 59.58 2ce8 s ILE 769 Cb -0.12 -3.92 0.28 0.00 -1.58 0.00 0.00 42.46 37.13 2ce8 s ILE 769 CO 0.20 -0.13 1.39 -1.22 -1.23 0.00 0.00 174.94 173.94