#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 2.79 0.05 1.24 1.51 -1.26 -5.13 117.35 116.55 2ce8 s TYR 435 Ca 0.00 -0.13 0.03 0.00 -1.01 0.00 0.00 57.07 55.96 2ce8 s TYR 435 Cb 0.00 -1.45 -0.03 0.00 -0.11 0.00 0.00 41.96 40.37 2ce8 s TYR 435 CO 0.00 0.44 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.73 2ce8 s PHE 436 N -1.24 0.79 0.03 2.71 0.40 -1.26 -5.16 117.98 114.24 2ce8 s PHE 436 Ca 0.22 -0.53 0.04 0.00 -0.60 0.00 0.00 56.93 56.06 2ce8 s PHE 436 Cb -0.11 -0.46 -0.02 0.00 0.51 0.00 0.00 43.02 42.94 2ce8 s PHE 436 CO 0.15 -0.06 -0.11 -0.65 0.70 0.00 0.00 175.22 175.24 2ce8 s GLN 437 N -1.83 0.77 0.67 0.44 -0.21 -1.26 -5.05 119.66 113.20 2ce8 s GLN 437 Ca -0.06 -0.65 -0.17 0.00 0.02 0.00 0.00 55.36 54.49 2ce8 s GLN 437 Cb -0.09 -0.72 0.00 0.00 1.00 0.00 0.00 33.01 33.21 2ce8 s GLN 437 CO 0.00 0.18 1.24 0.20 -2.12 0.00 0.00 175.29 174.79 2ce8 s GLY 438 N -1.03 2.61 -0.11 3.09 0.00 -1.26 -5.05 107.32 105.57 2ce8 s GLY 438 Ca -0.01 1.02 -0.04 0.00 0.00 0.00 0.00 44.72 45.70 2ce8 s GLY 438 CO 0.01 1.43 0.22 0.00 0.00 0.00 0.00 173.10 174.76 2ce8 s ALA 439 N -1.69 -0.38 0.37 3.20 0.00 -1.26 -5.14 121.76 116.86 2ce8 s ALA 439 Ca 0.78 0.77 -0.26 0.00 0.00 0.00 0.00 51.96 53.25 2ce8 s ALA 439 Cb -0.32 -0.91 -0.09 0.00 0.00 0.00 0.00 23.12 21.80 2ce8 s ALA 439 CO 0.41 -0.58 1.12 1.41 0.00 0.00 0.00 175.76 178.11 2ce8 s MET 440 N 2.30 4.22 0.09 0.00 1.75 -1.26 -5.05 119.30 121.35 2ce8 s MET 440 Ca 0.01 1.74 0.01 0.00 -1.25 0.00 0.00 55.69 56.21 2ce8 s MET 440 Cb -0.12 -2.75 -0.00 0.00 2.84 0.00 0.00 34.83 34.80 2ce8 s MET 440 CO -0.07 -0.15 0.04 0.41 -0.65 0.00 0.00 175.02 174.60 2ce8 n GLY 441 N 0.67 3.87 3.35 2.11 0.00 -1.26 -5.18 105.19 108.76 2ce8 n GLY 441 Ca 0.03 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.56 -0.44 0.06 1.61 0.15 -1.26 -5.18 113.70 107.07 2ce8 s SER 442 Ca 0.06 0.74 0.01 0.00 0.70 0.00 0.00 55.95 57.46 2ce8 s SER 442 Cb 0.00 0.78 -0.03 0.00 -1.71 0.00 0.00 66.02 65.06 2ce8 s SER 442 CO 0.04 -0.27 -0.05 -0.54 1.20 0.00 0.00 173.24 173.63 2ce8 s LYS 443 N -0.22 0.62 0.26 5.44 1.02 -1.26 -5.13 119.74 120.47 2ce8 s LYS 443 Ca -0.04 -1.08 -0.30 0.00 0.02 0.00 0.00 55.97 54.57 2ce8 s LYS 443 Cb -0.03 -0.03 -0.14 0.00 -0.52 0.00 0.00 37.83 37.10 2ce8 s LYS 443 CO 0.02 -0.04 1.17 -2.30 -0.92 0.00 0.00 175.35 173.28 2ce8 n PRO 444 N 0.53 1.57 -1.40 -1.68 -0.02 -1.26 -4.77 135.00 127.98 2ce8 n PRO 444 Ca -0.17 0.56 -0.55 0.00 -2.02 0.00 0.00 63.50 61.32 2ce8 n PRO 444 Cb 0.59 -2.05 -0.08 0.00 -0.02 0.00 0.00 33.50 31.95 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 0.88 -2.54 0.00 3.55 0.00 -1.26 -4.85 120.51 116.29 2ce8 n ALA 445 Ca 0.10 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2ce8 n ALA 445 Cb 0.31 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 2.10 0.00 -4.20 0.00 0.18 -1.26 -5.02 117.16 108.97 2ce8 n TYR 446 Ca 0.21 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.65 2ce8 n TYR 446 Cb 0.03 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 38.84 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 -0.57 3.78 0.04 9.48 0.15 -1.26 -1.01 113.70 124.32 2ce8 s SER 447 Ca 0.00 -0.48 0.07 0.00 0.70 0.00 0.00 55.95 56.24 2ce8 s SER 447 Cb 0.00 -1.61 -0.02 0.00 -1.71 0.00 0.00 66.02 62.68 2ce8 s SER 447 CO 0.00 0.03 -0.19 -0.36 1.20 0.00 0.00 173.24 173.91 2ce8 s PHE 448 N 1.17 1.70 -0.18 3.44 0.40 -0.20 -1.45 117.98 122.84 2ce8 s PHE 448 Ca 0.01 -0.37 -0.07 0.00 -0.60 0.00 0.00 56.93 55.90 2ce8 s PHE 448 Cb -0.14 -1.01 -0.04 0.00 0.51 0.00 0.00 43.02 42.34 2ce8 s PHE 448 CO -0.05 0.09 0.05 -1.58 0.70 0.00 0.00 175.22 174.43 2ce8 s HIS 449 N -0.82 3.21 -0.28 0.36 2.46 0.17 -0.82 115.29 119.57 2ce8 s HIS 449 Ca 0.06 -0.01 -0.08 0.00 0.47 0.00 0.00 55.06 55.51 2ce8 s HIS 449 Cb -0.09 -2.07 -0.01 0.00 -0.13 0.00 0.00 32.58 30.28 2ce8 s HIS 449 CO 0.02 0.10 0.10 0.08 -2.47 0.00 0.00 174.74 172.56 2ce8 s VAL 450 N 0.45 4.29 0.79 0.89 1.01 0.25 -2.26 120.40 125.81 2ce8 s VAL 450 Ca 0.02 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 2ce8 s VAL 450 Cb -0.13 -3.12 0.12 0.00 0.00 0.00 0.00 36.38 33.26 2ce8 s VAL 450 CO 0.01 0.19 1.11 0.42 0.00 0.00 0.00 175.10 176.82 2ce8 s THR 451 N 1.58 2.15 0.37 3.92 -4.23 -0.69 -1.34 115.64 117.40 2ce8 s THR 451 Ca 0.05 -0.28 0.12 0.00 -1.18 0.00 0.00 61.69 60.40 2ce8 s THR 451 Cb -0.16 -2.87 0.34 0.00 1.34 0.00 0.00 72.50 71.15 2ce8 s THR 451 CO 0.04 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 175.96 2ce8 h ALA 452 N -0.90 1.96 -3.65 3.99 0.00 -1.92 -3.39 119.26 115.34 2ce8 h ALA 452 Ca -0.42 0.03 -0.40 0.00 0.00 0.00 0.00 54.91 54.13 2ce8 h ALA 452 Cb 1.28 -0.07 0.17 0.00 0.00 0.00 0.00 17.79 19.17 2ce8 h ALA 452 CO 0.48 -0.26 0.29 -0.40 0.00 0.00 0.00 179.25 179.36 2ce8 n ASP 453 N -4.59 -0.69 0.00 0.00 5.68 -1.26 -4.93 116.55 110.75 2ce8 n ASP 453 Ca 0.20 -1.34 0.06 0.00 -0.50 0.00 0.00 54.79 53.21 2ce8 n ASP 453 Cb 0.60 -0.96 0.26 0.00 -1.14 0.00 0.00 41.12 39.88 2ce8 n ASP 453 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ce8 n GLY 454 N -3.65 -0.83 3.75 6.12 0.00 -1.26 -4.92 105.19 104.40 2ce8 n GLY 454 Ca 0.15 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2ce8 n GLY 454 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ce8 s GLN 455 N -2.86 4.21 -0.13 1.61 0.74 -1.26 -4.75 119.66 117.21 2ce8 s GLN 455 Ca 0.07 2.42 -0.00 0.00 0.05 0.00 0.00 55.36 57.90 2ce8 s GLN 455 Cb 0.08 -3.08 0.03 0.00 1.10 0.00 0.00 33.01 31.14 2ce8 s GLN 455 CO 0.20 -0.51 -0.07 1.41 -0.55 0.00 0.00 175.29 175.77 2ce8 s MET 456 N -0.37 1.49 0.00 1.67 -2.45 -1.26 -1.70 119.30 116.68 2ce8 s MET 456 Ca 0.61 -0.33 0.01 0.00 -1.25 0.00 0.00 55.69 54.73 2ce8 s MET 456 Cb -0.44 -1.71 -0.01 0.00 1.25 0.00 0.00 34.83 33.92 2ce8 s MET 456 CO 0.45 -0.32 -0.04 1.14 1.05 0.00 0.00 175.02 177.30 2ce8 s GLN 457 N 1.69 0.29 0.37 4.11 0.00 -0.96 -4.96 119.66 120.20 2ce8 s GLN 457 Ca 0.04 -0.20 -0.28 0.00 -0.00 0.00 0.00 55.36 54.92 2ce8 s GLN 457 Cb -0.13 -0.24 -0.11 0.00 0.00 0.00 0.00 33.01 32.53 2ce8 s GLN 457 CO -0.08 0.06 1.46 -1.25 0.00 0.00 0.00 175.29 175.49 2ce8 s PRO 458 N -0.27 4.14 0.02 9.60 0.04 -1.26 -0.65 135.00 146.61 2ce8 s PRO 458 Ca -0.01 2.53 -0.30 0.00 0.04 0.00 0.00 61.00 63.26 2ce8 s PRO 458 Cb -0.02 -2.98 -0.06 0.00 0.04 0.00 0.00 34.50 31.48 2ce8 s PRO 458 CO -0.00 -0.49 1.35 0.08 0.04 0.00 0.00 177.00 177.98 2ce8 s VAL 459 N -1.11 3.76 -0.56 -0.36 1.01 -0.53 -4.81 120.40 117.80 2ce8 s VAL 459 Ca 0.52 1.18 -0.28 0.00 0.00 0.00 0.00 61.98 63.40 2ce8 s VAL 459 Cb -0.46 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.18 2ce8 s VAL 459 CO 0.62 0.03 1.38 -2.16 0.00 0.00 0.00 175.10 174.96 2ce8 s PRO 460 N 1.98 3.35 0.27 2.72 0.04 -1.26 -5.00 135.00 137.10 2ce8 s PRO 460 Ca 0.62 0.44 -0.30 0.00 0.04 0.00 0.00 61.00 61.81 2ce8 s PRO 460 Cb -0.31 -4.10 -0.10 0.00 0.04 0.00 0.00 34.50 30.03 2ce8 s PRO 460 CO 0.27 -1.87 1.37 -0.06 0.04 0.00 0.00 177.00 176.74 2ce8 s PHE 461 N 5.83 3.07 0.99 0.56 2.99 -1.26 -5.03 117.98 125.13 2ce8 s PHE 461 Ca 0.51 1.20 -0.13 0.00 0.00 0.00 0.00 56.93 58.51 2ce8 s PHE 461 Cb -0.10 -3.73 0.18 0.00 0.00 0.00 0.00 43.02 39.37 2ce8 s PHE 461 CO 0.25 -2.24 1.12 -1.25 -0.00 0.00 0.00 175.22 173.11 2ce8 s PRO 462 N -0.82 0.53 0.58 0.24 0.04 -1.26 -4.94 135.00 129.37 2ce8 s PRO 462 Ca 0.55 0.32 0.36 0.00 0.04 0.00 0.00 61.00 62.27 2ce8 s PRO 462 Cb -0.40 -1.77 1.76 0.00 0.04 0.00 0.00 34.50 34.14 2ce8 s PRO 462 CO 0.46 -2.62 2.15 -1.35 0.04 0.00 0.00 177.00 175.67 2ce8 h PRO 463 N -1.80 0.00 -0.72 0.56 0.11 -1.98 -2.55 132.00 125.62 2ce8 h PRO 463 Ca -0.52 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.40 2ce8 h PRO 463 Cb 1.33 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.32 2ce8 h PRO 463 CO 0.57 0.04 0.24 -0.40 -0.21 0.00 0.00 178.00 178.23 2ce8 n ASP 464 N -3.24 4.97 -0.01 -2.05 5.75 -1.26 -4.55 116.55 116.15 2ce8 n ASP 464 Ca -0.01 -3.20 -0.10 0.00 -0.01 0.00 0.00 54.79 51.47 2ce8 n ASP 464 Cb 0.21 -0.74 0.04 0.00 -1.03 0.00 0.00 41.12 39.60 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 2.85 0.67 0.00 2.12 0.00 -1.82 -3.35 119.26 119.73 2ce8 h ALA 465 Ca 0.24 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2ce8 h ALA 465 Cb 2.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 20.01 2ce8 h ALA 465 CO 0.72 0.69 0.00 1.28 0.00 0.00 0.00 179.25 181.93 2ce8 n LEU 466 N -3.97 0.82 -3.79 0.00 4.77 -1.26 -4.70 117.00 108.88 2ce8 n LEU 466 Ca -0.03 -0.86 -0.13 0.00 -0.03 0.00 0.00 56.01 54.96 2ce8 n LEU 466 Cb 0.61 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.56 2ce8 n LEU 466 CO 0.47 0.20 -0.20 -0.63 -1.33 0.00 0.00 177.39 175.91 2ce8 s ILE 467 N -0.09 -0.02 0.00 -0.08 -1.09 -1.26 -4.96 121.20 113.70 2ce8 s ILE 467 Ca 0.00 0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 2ce8 s ILE 467 Cb 0.00 -0.25 0.00 0.00 -1.58 0.00 0.00 42.46 40.63 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 0.99 3.70 6.18 0.00 -1.26 -4.48 105.19 113.83 2ce8 n GLY 468 Ca -0.18 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 2ce8 n GLY 468 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2ce8 s PRO 469 N -1.69 4.15 0.00 1.61 0.02 -1.26 -1.47 135.00 136.35 2ce8 s PRO 469 Ca 0.00 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.55 2ce8 s PRO 469 Cb 0.00 -3.50 0.00 0.00 0.02 0.00 0.00 34.50 31.02 2ce8 s PRO 469 CO 0.00 -0.80 0.00 0.41 -0.33 0.00 0.00 177.00 176.28 2ce8 n GLY 470 N 4.12 0.86 3.63 0.52 0.00 -1.26 -5.02 105.19 108.04 2ce8 n GLY 470 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.39 5.28 0.60 -0.61 -1.09 -0.55 -4.88 121.20 116.56 2ce8 s ILE 471 Ca 0.00 0.34 -0.19 0.00 -2.23 0.00 0.00 60.65 58.57 2ce8 s ILE 471 Cb 0.00 -3.58 -0.05 0.00 -1.58 0.00 0.00 42.46 37.25 2ce8 s ILE 471 CO 0.00 0.26 0.97 -2.65 -1.23 0.00 0.00 174.94 172.30 2ce8 n PRO 472 N 4.75 0.92 -0.02 2.79 -0.02 -1.26 -4.69 135.00 137.47 2ce8 n PRO 472 Ca -0.12 0.36 0.01 0.00 -2.02 0.00 0.00 63.50 61.72 2ce8 n PRO 472 Cb 0.52 -2.17 -0.08 0.00 -0.02 0.00 0.00 33.50 31.74 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 -1.00 1.22 -3.58 -0.52 1.74 0.59 -4.95 116.66 110.17 2ce8 n ARG 473 Ca 0.14 -0.06 -0.16 0.00 -0.77 0.00 0.00 57.85 57.00 2ce8 n ARG 473 Cb 0.47 -1.25 -0.07 0.00 -1.02 0.00 0.00 32.46 30.59 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 -2.52 -0.73 -0.33 -1.55 5.04 -1.00 -4.69 115.29 109.52 2ce8 s HIS 474 Ca -0.04 1.55 -0.05 0.00 -1.54 0.00 0.00 55.06 54.98 2ce8 s HIS 474 Cb 0.05 0.34 0.04 0.00 0.04 0.00 0.00 32.58 33.05 2ce8 s HIS 474 CO 0.43 -0.48 0.08 0.00 -2.34 0.00 0.00 174.74 172.42 2ce8 s ALA 475 N -0.35 2.98 -0.23 1.58 0.00 -1.26 0.27 121.76 124.76 2ce8 s ALA 475 Ca -0.05 -1.73 -0.16 0.00 0.00 0.00 0.00 51.96 50.02 2ce8 s ALA 475 Cb -0.03 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 2ce8 s ALA 475 CO 0.05 -1.29 0.40 0.50 0.00 0.00 0.00 175.76 175.42 2ce8 s ARG 476 N 1.37 4.12 -0.15 0.00 3.52 -0.00 -4.90 118.95 122.91 2ce8 s ARG 476 Ca -0.02 0.16 -0.29 0.00 -0.13 0.00 0.00 55.73 55.45 2ce8 s ARG 476 Cb -0.19 -3.58 -0.02 0.00 -1.56 0.00 0.00 34.95 29.59 2ce8 s ARG 476 CO 0.02 -0.14 1.39 -0.65 -0.81 0.00 0.00 175.30 175.11 2ce8 s GLN 477 N 1.63 4.17 -0.03 5.12 -0.21 -1.26 -0.03 119.66 129.05 2ce8 s GLN 477 Ca 0.18 1.77 0.08 0.00 0.02 0.00 0.00 55.36 57.41 2ce8 s GLN 477 Cb -0.15 -3.85 -0.12 0.00 1.00 0.00 0.00 33.01 29.89 2ce8 s GLN 477 CO 0.09 -0.81 0.15 0.44 -2.12 0.00 0.00 175.29 173.03 2ce8 n ILE 478 N 5.53 0.13 -3.80 1.08 -5.35 0.44 -4.93 119.36 112.45 2ce8 n ILE 478 Ca 0.15 -0.23 -0.12 0.00 -0.27 0.00 0.00 62.75 62.28 2ce8 n ILE 478 Cb 0.44 0.04 -0.11 0.00 -1.74 0.00 0.00 39.64 38.28 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 -3.21 -0.18 -0.14 7.28 0.01 -1.11 -4.74 114.94 112.84 2ce8 s ASN 479 Ca -0.03 0.27 -0.02 0.00 -0.71 0.00 0.00 52.86 52.36 2ce8 s ASN 479 Cb 0.05 0.41 -0.02 0.00 0.41 0.00 0.00 41.25 42.09 2ce8 s ASN 479 CO 0.34 -0.21 -0.07 -0.89 -1.51 0.00 0.00 177.10 174.76 2ce8 s THR 480 N -0.47 3.59 -0.48 1.60 2.01 -1.26 -0.61 115.64 120.02 2ce8 s THR 480 Ca -0.06 -0.47 -0.14 0.00 0.31 0.00 0.00 61.69 61.34 2ce8 s THR 480 Cb -0.04 -2.55 0.10 0.00 0.01 0.00 0.00 72.50 70.02 2ce8 s THR 480 CO 0.01 0.51 0.40 -0.76 -0.69 0.00 0.00 174.62 174.09 2ce8 s LEU 481 N 0.32 5.72 -1.33 4.42 1.43 0.76 -4.87 118.68 125.13 2ce8 s LEU 481 Ca -0.06 -1.56 -0.14 0.00 -1.03 0.00 0.00 54.13 51.34 2ce8 s LEU 481 Cb -0.15 -2.14 0.10 0.00 0.03 0.00 0.00 46.19 44.03 2ce8 s LEU 481 CO 0.04 -0.70 1.88 0.59 0.23 0.00 0.00 176.35 178.39 2ce8 n ASN 482 N 5.13 4.66 -0.34 2.29 5.03 -1.26 -1.33 115.26 129.44 2ce8 n ASN 482 Ca -0.12 -2.94 0.04 0.00 0.87 0.00 0.00 54.58 52.43 2ce8 n ASN 482 Cb 0.42 -1.64 0.19 0.00 -1.02 0.00 0.00 39.78 37.74 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 6.62 1.06 0.00 3.10 2.76 -1.90 -3.47 115.15 123.31 2ce8 h HIS 483 Ca 0.46 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.66 2ce8 h HIS 483 Cb 0.75 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.37 2ce8 h HIS 483 CO 1.35 0.46 0.00 0.41 -1.30 0.00 0.00 177.93 178.85 2ce8 n GLY 484 N -1.34 0.83 3.13 5.26 0.00 -0.46 -5.03 105.19 107.58 2ce8 n GLY 484 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 2ce8 n GLY 484 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ce8 s GLU 485 N -0.38 0.71 0.15 1.61 0.41 -1.26 -4.97 118.70 114.97 2ce8 s GLU 485 Ca 0.00 -1.15 -0.34 0.00 -0.41 0.00 0.00 54.97 53.06 2ce8 s GLU 485 Cb 0.00 -0.16 -0.14 0.00 -1.78 0.00 0.00 34.13 32.05 2ce8 s GLU 485 CO 0.00 -0.02 1.56 0.28 -0.49 0.00 0.00 175.26 176.59 2ce8 n VAL 486 N 0.40 0.01 -3.10 2.63 0.31 -1.26 -4.09 118.33 113.23 2ce8 n VAL 486 Ca -0.15 -0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.73 2ce8 n VAL 486 Cb 0.59 -1.46 -0.04 0.00 -0.91 0.00 0.00 33.84 32.02 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 0.93 4.88 -1.27 2.52 1.01 -1.00 -4.39 120.40 123.09 2ce8 s VAL 487 Ca 0.80 -1.22 0.24 0.00 0.00 0.00 0.00 61.98 61.80 2ce8 s VAL 487 Cb -0.71 -4.54 0.02 0.00 0.00 0.00 0.00 36.38 31.15 2ce8 s VAL 487 CO 0.39 -1.18 1.32 0.00 0.00 0.00 0.00 175.10 175.63 2ce8 s ALA 489 N -2.84 -0.73 0.01 0.00 0.00 -1.22 -4.65 121.76 112.34 2ce8 s ALA 489 Ca 0.14 0.89 0.01 0.00 0.00 0.00 0.00 51.96 53.00 2ce8 s ALA 489 Cb 0.18 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 2ce8 s ALA 489 CO 0.68 -0.15 -0.05 0.14 0.00 0.00 0.00 175.76 176.38 2ce8 s VAL 490 N 0.34 0.33 0.09 0.00 -7.23 -1.26 -0.12 120.40 112.55 2ce8 s VAL 490 Ca -0.01 -0.51 -0.10 0.00 -1.81 0.00 0.00 61.98 59.55 2ce8 s VAL 490 Cb -0.03 -0.34 0.01 0.00 0.56 0.00 0.00 36.38 36.57 2ce8 s VAL 490 CO -0.01 -0.12 0.23 0.28 -0.31 0.00 0.00 175.10 175.16 2ce8 s THR 491 N -0.62 0.13 -0.03 5.32 -1.32 -0.45 -4.62 115.64 114.04 2ce8 s THR 491 Ca -0.04 -1.05 0.04 0.00 -1.21 0.00 0.00 61.69 59.43 2ce8 s THR 491 Cb -0.05 -1.28 -0.00 0.00 -1.51 0.00 0.00 72.50 69.66 2ce8 s THR 491 CO -0.00 -0.58 -0.15 -0.63 -2.21 0.00 0.00 174.62 171.05 2ce8 s ILE 492 N -3.75 1.24 0.77 5.08 1.01 -1.26 -0.64 121.20 123.65 2ce8 s ILE 492 Ca 0.04 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 59.94 2ce8 s ILE 492 Cb 0.04 -1.06 0.06 0.00 0.01 0.00 0.00 42.46 41.51 2ce8 s ILE 492 CO -0.11 0.36 1.13 -0.94 0.00 0.00 0.00 174.94 175.38 2ce8 s SER 493 N -0.03 4.21 -0.21 3.58 1.04 -0.08 -4.90 113.70 117.31 2ce8 s SER 493 Ca -0.01 2.04 -0.00 0.00 0.48 0.00 0.00 55.95 58.45 2ce8 s SER 493 Cb -0.09 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.53 2ce8 s SER 493 CO 0.01 -2.24 -0.04 0.21 0.98 0.00 0.00 173.24 172.16 2ce8 s ASN 494 N -2.82 3.44 0.81 7.02 2.47 -1.26 -2.65 114.94 121.95 2ce8 s ASN 494 Ca 0.66 -0.99 -0.11 0.00 0.42 0.00 0.00 52.86 52.84 2ce8 s ASN 494 Cb -0.21 -1.02 0.08 0.00 -1.45 0.00 0.00 41.25 38.65 2ce8 s ASN 494 CO 0.51 -0.23 1.13 -2.16 -3.72 0.00 0.00 177.10 172.63 2ce8 s PRO 495 N 1.53 1.83 0.01 0.43 0.04 -1.26 -4.70 135.00 132.88 2ce8 s PRO 495 Ca -0.03 1.40 -0.33 0.00 0.04 0.00 0.00 61.00 62.08 2ce8 s PRO 495 Cb -0.18 -1.83 -0.12 0.00 0.04 0.00 0.00 34.50 32.42 2ce8 s PRO 495 CO -0.07 -2.00 1.82 2.41 0.04 0.00 0.00 177.00 179.21 2ce8 n THR 496 N -3.59 0.45 0.13 1.26 -1.04 -1.09 -4.58 114.28 105.82 2ce8 n THR 496 Ca 0.11 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2ce8 n THR 496 Cb 0.52 -1.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.13 2ce8 n THR 496 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2ce8 n ARG 497 N 5.92 0.00 -4.40 -2.82 0.63 -1.26 -4.95 116.66 109.77 2ce8 n ARG 497 Ca 0.20 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.81 2ce8 n ARG 497 Cb 0.32 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.13 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 2.98 -0.01 -0.14 3.76 -1.26 -1.02 115.29 117.61 2ce8 s HIS 498 Ca 0.00 0.03 0.05 0.00 -0.15 0.00 0.00 55.06 54.98 2ce8 s HIS 498 Cb 0.00 -1.65 -0.03 0.00 1.11 0.00 0.00 32.58 32.01 2ce8 s HIS 498 CO 0.00 0.41 -0.13 0.08 -0.85 0.00 0.00 174.74 174.25 2ce8 s VAL 499 N -1.01 3.14 -0.15 -0.90 1.01 0.94 -0.90 120.40 122.54 2ce8 s VAL 499 Ca 0.17 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.28 2ce8 s VAL 499 Cb -0.11 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.97 2ce8 s VAL 499 CO 0.08 0.46 -0.17 -0.31 0.00 0.00 0.00 175.10 175.16 2ce8 s TYR 500 N -0.86 2.76 -0.13 5.22 1.51 0.19 -0.34 117.35 125.69 2ce8 s TYR 500 Ca 0.14 -1.13 0.01 0.00 -1.01 0.00 0.00 57.07 55.09 2ce8 s TYR 500 Cb -0.11 -1.88 -0.00 0.00 -0.11 0.00 0.00 41.96 39.86 2ce8 s TYR 500 CO 0.04 -0.52 -0.17 0.95 -1.11 0.00 0.00 175.55 174.74 2ce8 s THR 501 N 0.85 2.57 -0.26 -0.71 -4.23 -0.42 -1.34 115.64 112.10 2ce8 s THR 501 Ca -0.05 -0.82 -0.11 0.00 -1.18 0.00 0.00 61.69 59.54 2ce8 s THR 501 Cb -0.15 -2.06 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 2ce8 s THR 501 CO -0.01 0.53 0.18 -0.83 -0.54 0.00 0.00 174.62 173.95 2ce8 s GLY 502 N 0.59 1.96 0.00 3.99 0.00 0.83 -1.14 107.32 113.54 2ce8 s GLY 502 Ca -0.10 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.63 2ce8 s GLY 502 CO 0.03 0.53 0.00 0.61 0.00 0.00 0.00 173.10 174.28 2ce8 n GLY 503 N 4.68 1.59 3.29 0.20 0.00 -0.09 -1.61 105.19 113.25 2ce8 n GLY 503 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 3.84 2.63 -0.78 1.61 2.20 -1.26 -0.72 119.74 127.25 2ce8 s LYS 504 Ca 0.00 -1.32 0.00 0.00 -0.36 0.00 0.00 55.97 54.29 2ce8 s LYS 504 Cb 0.00 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 2ce8 s LYS 504 CO 0.00 -0.82 0.00 0.41 -0.36 0.00 0.00 175.35 174.58 2ce8 n GLY 505 N 4.89 0.88 3.48 5.54 0.00 0.08 -4.68 105.19 115.38 2ce8 n GLY 505 Ca -0.11 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 1.09 4.08 0.09 0.00 1.01 -0.44 -0.92 120.40 125.31 2ce8 s VAL 507 Ca -0.06 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.66 2ce8 s VAL 507 Cb -0.06 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2ce8 s VAL 507 CO -0.10 0.45 0.12 -0.54 0.00 0.00 0.00 175.10 175.03 2ce8 s LYS 508 N 0.70 3.02 -0.10 2.72 1.02 -0.29 -0.14 119.74 126.67 2ce8 s LYS 508 Ca -0.00 -0.66 0.03 0.00 0.02 0.00 0.00 55.97 55.36 2ce8 s LYS 508 Cb -0.14 -2.79 -0.01 0.00 -0.52 0.00 0.00 37.83 34.37 2ce8 s LYS 508 CO 0.02 0.56 -0.19 0.08 -0.92 0.00 0.00 175.35 174.90 2ce8 s VAL 509 N -1.48 2.55 0.03 3.17 1.01 -0.29 -1.30 120.40 124.08 2ce8 s VAL 509 Ca 0.31 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.48 2ce8 s VAL 509 Cb -0.12 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 2ce8 s VAL 509 CO 0.24 0.55 -0.16 0.26 0.00 0.00 0.00 175.10 175.99 2ce8 s TRP 510 N 0.10 1.38 -0.37 5.22 0.52 0.54 0.12 118.94 126.45 2ce8 s TRP 510 Ca -0.09 -0.33 -0.07 0.00 0.02 0.00 0.00 56.10 55.64 2ce8 s TRP 510 Cb -0.15 -0.84 0.06 0.00 -1.15 0.00 0.00 33.47 31.39 2ce8 s TRP 510 CO 0.06 0.03 0.16 0.34 0.02 0.00 0.00 176.95 177.56 2ce8 s ASP 511 N -0.93 5.39 -0.18 2.95 -1.08 -1.26 -0.04 116.67 121.53 2ce8 s ASP 511 Ca 0.04 -1.39 0.10 0.00 -0.52 0.00 0.00 52.55 50.78 2ce8 s ASP 511 Cb -0.07 -1.89 0.59 0.00 -1.46 0.00 0.00 42.92 40.09 2ce8 s ASP 511 CO 0.01 -0.42 1.41 2.30 0.52 0.00 0.00 175.17 178.99 2ce8 n ILE 512 N 4.81 2.02 -1.33 4.11 -5.35 -0.19 -4.51 119.36 118.92 2ce8 n ILE 512 Ca -0.10 -1.02 -0.25 0.00 -0.27 0.00 0.00 62.75 61.11 2ce8 n ILE 512 Cb 0.44 -0.35 -0.02 0.00 -1.74 0.00 0.00 39.64 37.97 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 0.43 6.57 -0.17 7.28 3.41 -1.26 -4.44 113.62 125.44 2ce8 n SER 513 Ca 0.21 -3.22 0.00 0.00 -0.26 0.00 0.00 58.87 55.60 2ce8 n SER 513 Cb 0.95 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 2ce8 n SER 513 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2ce8 n HIS 514 N 0.59 0.00 0.00 7.33 8.25 -1.26 -5.07 115.22 125.05 2ce8 n HIS 514 Ca 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.90 2ce8 n HIS 514 Cb 0.55 0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.83 2ce8 n HIS 514 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2ce8 n PRO 515 N 0.00 0.00 -1.05 -0.41 -0.02 -1.26 -3.16 135.00 129.10 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 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.85 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 0.00 1.15 3.00 -1.23 0.00 -1.26 -4.50 105.19 102.34 2ce8 n GLY 516 Ca 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 46.02 45.60 2ce8 n GLY 516 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ce8 n ASN 517 N 0.96 -0.68 0.00 1.61 0.23 -1.19 -5.13 115.26 111.06 2ce8 n ASN 517 Ca 0.00 0.08 0.00 0.00 -0.53 0.00 0.00 54.58 54.13 2ce8 n ASN 517 Cb 0.25 -0.50 0.00 0.00 -2.08 0.00 0.00 39.78 37.46 2ce8 n ASN 517 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2ce8 n LYS 518 N -0.56 0.00 -4.73 -3.83 4.81 -1.26 -5.09 118.16 107.50 2ce8 n LYS 518 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 2ce8 n LYS 518 Cb 0.03 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 34.94 2ce8 n LYS 518 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2ce8 s SER 519 N 0.00 2.81 0.40 3.14 1.04 -1.26 -4.51 113.70 115.32 2ce8 s SER 519 Ca 0.00 -0.57 -0.24 0.00 0.48 0.00 0.00 55.95 55.62 2ce8 s SER 519 Cb 0.00 -0.24 -0.09 0.00 0.10 0.00 0.00 66.02 65.79 2ce8 s SER 519 CO 0.00 0.20 1.07 -2.16 0.98 0.00 0.00 173.24 173.33 2ce8 s PRO 520 N -1.27 4.12 0.05 4.02 0.04 -1.26 -4.62 135.00 136.08 2ce8 s PRO 520 Ca 0.10 1.57 0.22 0.00 0.04 0.00 0.00 61.00 62.93 2ce8 s PRO 520 Cb -0.09 -2.55 -0.07 0.00 0.04 0.00 0.00 34.50 31.82 2ce8 s PRO 520 CO 0.02 -0.19 0.89 1.33 0.04 0.00 0.00 177.00 179.09 2ce8 n VAL 521 N -0.07 0.18 -3.84 -0.36 0.24 0.12 -4.97 118.33 109.62 2ce8 n VAL 521 Ca 0.05 -0.33 -0.07 0.00 -2.04 0.00 0.00 64.34 61.96 2ce8 n VAL 521 Cb 0.49 0.14 -0.02 0.00 -1.47 0.00 0.00 33.84 32.99 2ce8 n VAL 521 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2ce8 s SER 522 N -4.20 -0.23 -0.01 -1.34 0.15 -1.20 -5.02 113.70 101.86 2ce8 s SER 522 Ca 0.01 -0.63 -0.17 0.00 0.70 0.00 0.00 55.95 55.86 2ce8 s SER 522 Cb 0.14 0.71 0.03 0.00 -1.71 0.00 0.00 66.02 65.18 2ce8 s SER 522 CO 0.83 -1.32 0.37 0.00 1.20 0.00 0.00 173.24 174.32 2ce8 s GLN 523 N -3.70 0.75 -0.31 5.44 -2.07 -1.26 -1.14 119.66 117.38 2ce8 s GLN 523 Ca 0.12 -0.17 0.03 0.00 -1.82 0.00 0.00 55.36 53.52 2ce8 s GLN 523 Cb -0.05 0.34 0.09 0.00 -1.09 0.00 0.00 33.01 32.29 2ce8 s GLN 523 CO 0.07 -0.22 -0.00 -0.51 -1.32 0.00 0.00 175.29 173.30 2ce8 s LEU 524 N -1.43 4.06 -0.19 2.60 1.43 0.80 -4.93 118.68 121.03 2ce8 s LEU 524 Ca -0.12 -1.83 -0.23 0.00 -1.03 0.00 0.00 54.13 50.92 2ce8 s LEU 524 Cb -0.04 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 2ce8 s LEU 524 CO 0.04 -0.31 0.74 -1.81 0.23 0.00 0.00 176.35 175.23 2ce8 s ASP 525 N 1.04 6.82 0.46 2.29 1.01 -1.26 -1.33 116.67 125.70 2ce8 s ASP 525 Ca 0.04 1.00 -0.20 0.00 0.71 0.00 0.00 52.55 54.10 2ce8 s ASP 525 Cb -0.19 -2.40 -0.10 0.00 1.01 0.00 0.00 42.92 41.24 2ce8 s ASP 525 CO -0.08 -0.35 0.98 0.00 0.21 0.00 0.00 175.17 175.93 2ce8 n LEU 527 N -0.88 -0.20 -4.56 0.00 4.77 -1.26 -3.88 117.00 110.99 2ce8 n LEU 527 Ca 0.08 0.74 -0.34 0.00 -0.03 0.00 0.00 56.01 56.45 2ce8 n LEU 527 Cb 0.54 -0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 41.27 2ce8 n LEU 527 CO 0.39 -0.48 -0.33 0.21 -1.33 0.00 0.00 177.39 175.85 2ce8 s ASN 528 N -3.75 4.98 -0.02 -1.43 2.47 -1.26 -5.02 114.94 110.90 2ce8 s ASN 528 Ca -0.02 -0.04 0.02 0.00 0.42 0.00 0.00 52.86 53.23 2ce8 s ASN 528 Cb 0.02 -1.70 0.08 0.00 -1.45 0.00 0.00 41.25 38.21 2ce8 s ASN 528 CO 0.12 0.22 0.70 -2.11 -3.72 0.00 0.00 177.10 172.32 2ce8 n ARG 529 N 3.17 1.38 0.00 0.43 1.85 -1.25 -3.88 116.66 118.36 2ce8 n ARG 529 Ca -0.18 -0.33 0.04 0.00 -1.00 0.00 0.00 57.85 56.39 2ce8 n ARG 529 Cb 0.53 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.45 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 0.01 1.29 -4.73 2.89 9.92 -1.26 -3.76 116.55 120.91 2ce8 n ASP 530 Ca 0.03 -1.15 -0.35 0.00 -0.53 0.00 0.00 54.79 52.79 2ce8 n ASP 530 Cb 0.30 0.31 -0.08 0.00 -0.64 0.00 0.00 41.12 41.01 2ce8 n ASP 530 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 2ce8 s ASN 531 N -1.02 5.86 0.28 -2.24 0.01 -1.25 -4.81 114.94 111.78 2ce8 s ASN 531 Ca 0.08 0.23 -0.30 0.00 -0.71 0.00 0.00 52.86 52.16 2ce8 s ASN 531 Cb 0.07 -1.92 -0.10 0.00 0.41 0.00 0.00 41.25 39.70 2ce8 s ASN 531 CO 0.17 0.28 1.43 -0.31 -1.51 0.00 0.00 177.10 177.16 2ce8 s TYR 532 N -0.28 2.97 0.06 2.20 2.02 -1.26 -0.74 117.35 122.32 2ce8 s TYR 532 Ca 0.09 1.09 -0.30 0.00 -0.37 0.00 0.00 57.07 57.57 2ce8 s TYR 532 Cb -0.12 -3.83 -0.05 0.00 -0.40 0.00 0.00 41.96 37.56 2ce8 s TYR 532 CO 0.01 -2.62 1.13 0.42 -1.57 0.00 0.00 175.55 172.92 2ce8 s ILE 533 N -0.28 4.24 -0.02 2.71 1.01 0.10 -1.12 121.20 127.84 2ce8 s ILE 533 Ca 0.57 1.64 0.15 0.00 0.00 0.00 0.00 60.65 63.01 2ce8 s ILE 533 Cb -0.42 -4.05 -0.23 0.00 0.01 0.00 0.00 42.46 37.77 2ce8 s ILE 533 CO 0.47 0.14 0.31 0.54 0.00 0.00 0.00 174.94 176.41 2ce8 n ARG 534 N 3.75 0.48 -3.63 2.79 5.12 0.41 -4.26 116.66 121.32 2ce8 n ARG 534 Ca 0.07 -0.13 -0.11 0.00 -1.93 0.00 0.00 57.85 55.75 2ce8 n ARG 534 Cb 0.48 -1.35 -0.07 0.00 -1.16 0.00 0.00 32.46 30.36 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 -3.71 -0.75 -0.00 0.55 0.15 -0.72 -4.54 113.70 104.67 2ce8 s SER 535 Ca -0.05 1.37 0.00 0.00 0.70 0.00 0.00 55.95 57.97 2ce8 s SER 535 Cb 0.09 1.37 -0.00 0.00 -1.71 0.00 0.00 66.02 65.77 2ce8 s SER 535 CO 0.61 -0.23 -0.01 0.00 1.20 0.00 0.00 173.24 174.80 2ce8 s LYS 537 N -0.04 0.08 0.01 0.00 -0.14 -0.65 -4.57 119.74 114.43 2ce8 s LYS 537 Ca 0.00 0.16 -0.14 0.00 -1.36 0.00 0.00 55.97 54.64 2ce8 s LYS 537 Cb -0.01 -0.03 -0.06 0.00 -1.68 0.00 0.00 37.83 36.06 2ce8 s LYS 537 CO -0.00 -0.05 0.40 -0.51 -0.76 0.00 0.00 175.35 174.42 2ce8 s LEU 538 N 0.35 4.46 0.62 3.17 1.43 -1.26 0.06 118.68 127.50 2ce8 s LEU 538 Ca -0.03 0.92 -0.17 0.00 -1.03 0.00 0.00 54.13 53.83 2ce8 s LEU 538 Cb -0.04 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 2ce8 s LEU 538 CO -0.01 0.31 1.16 -0.76 0.23 0.00 0.00 176.35 177.28 2ce8 s LEU 539 N -1.19 3.55 0.47 1.79 1.43 -0.44 -4.95 118.68 119.34 2ce8 s LEU 539 Ca 0.25 2.23 0.24 0.00 -1.03 0.00 0.00 54.13 55.82 2ce8 s LEU 539 Cb -0.16 -4.58 1.27 0.00 0.03 0.00 0.00 46.19 42.74 2ce8 s LEU 539 CO 0.14 -1.64 1.86 -0.65 0.23 0.00 0.00 176.35 176.28 2ce8 h PRO 540 N 0.51 0.22 0.00 1.29 0.11 -1.96 -1.00 132.00 131.17 2ce8 h PRO 540 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2ce8 h PRO 540 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2ce8 h PRO 540 CO 0.54 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 2ce8 n ASP 541 N -4.42 0.38 0.00 -2.05 5.75 -1.26 -4.87 116.55 110.08 2ce8 n ASP 541 Ca 0.20 0.62 0.00 0.00 -0.01 0.00 0.00 54.79 55.60 2ce8 n ASP 541 Cb 0.84 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 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 -0.49 0.48 0.53 6.12 0.00 -0.38 -4.88 105.19 106.57 2ce8 n GLY 542 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.72 0.57 -0.10 0.00 2.01 -1.26 -0.19 115.64 113.96 2ce8 s THR 544 Ca 0.36 -0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.23 2ce8 s THR 544 Cb 0.30 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 72.23 2ce8 s THR 544 CO 0.07 0.22 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.77 2ce8 s LEU 545 N 0.72 2.04 -0.21 4.42 2.96 -0.77 -1.32 118.68 126.51 2ce8 s LEU 545 Ca -0.10 -0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 53.19 2ce8 s LEU 545 Cb -0.13 -1.34 -0.05 0.00 0.50 0.00 0.00 46.19 45.18 2ce8 s LEU 545 CO 0.00 0.14 0.11 -0.63 -1.32 0.00 0.00 176.35 174.66 2ce8 s ILE 546 N 0.38 5.09 -0.08 6.68 1.09 0.11 -0.96 121.20 133.52 2ce8 s ILE 546 Ca -0.18 0.08 0.05 0.00 -1.10 0.00 0.00 60.65 59.50 2ce8 s ILE 546 Cb -0.18 -3.34 -0.00 0.00 -1.06 0.00 0.00 42.46 37.88 2ce8 s ILE 546 CO 0.08 0.40 -0.23 -0.69 -0.10 0.00 0.00 174.94 174.40 2ce8 s VAL 547 N 0.74 1.96 0.04 2.92 1.01 0.55 -1.63 120.40 125.99 2ce8 s VAL 547 Ca 0.06 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2ce8 s VAL 547 Cb -0.13 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2ce8 s VAL 547 CO 0.02 0.54 -0.05 -0.83 0.00 0.00 0.00 175.10 174.78 2ce8 s GLY 548 N 0.14 0.44 0.00 4.51 0.00 -0.55 -0.47 107.32 111.39 2ce8 s GLY 548 Ca -0.12 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.71 2ce8 s GLY 548 CO 0.06 -0.97 0.00 0.61 0.00 0.00 0.00 173.10 172.80 2ce8 n GLY 549 N 0.97 1.40 2.17 0.20 0.00 -1.24 -0.45 105.19 108.26 2ce8 n GLY 549 Ca -0.20 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 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 2.74 -3.76 1.61 1.02 -0.27 -1.03 120.64 120.95 2ce8 n GLU 550 Ca 0.00 -1.54 -0.10 0.00 -0.02 0.00 0.00 57.16 55.50 2ce8 n GLU 550 Cb 0.00 -2.37 -0.04 0.00 -0.02 0.00 0.00 31.44 29.01 2ce8 n GLU 550 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ce8 s ALA 551 N 1.66 -0.79 -0.32 0.62 0.00 -1.15 -4.71 121.76 117.08 2ce8 s ALA 551 Ca 0.66 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.33 2ce8 s ALA 551 Cb 0.24 0.83 0.14 0.00 0.00 0.00 0.00 23.12 24.33 2ce8 s ALA 551 CO -0.03 -0.75 1.05 -1.13 0.00 0.00 0.00 175.76 174.90 2ce8 n SER 552 N -0.30 2.79 -3.74 0.00 3.41 -1.12 -3.96 113.62 110.69 2ce8 n SER 552 Ca -0.11 -2.28 -0.16 0.00 -0.26 0.00 0.00 58.87 56.07 2ce8 n SER 552 Cb 0.63 -0.56 -0.16 0.00 -0.26 0.00 0.00 64.21 63.86 2ce8 n SER 552 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2ce8 s THR 553 N -0.86 -0.08 -0.14 6.66 -1.32 -1.26 -0.94 115.64 117.71 2ce8 s THR 553 Ca 0.11 0.27 -0.16 0.00 -1.21 0.00 0.00 61.69 60.70 2ce8 s THR 553 Cb 0.09 -0.12 -0.04 0.00 -1.51 0.00 0.00 72.50 70.92 2ce8 s THR 553 CO 0.02 0.11 0.37 -0.76 -2.21 0.00 0.00 174.62 172.15 2ce8 s LEU 554 N 1.36 4.26 -0.14 9.08 1.43 0.66 -4.55 118.68 130.79 2ce8 s LEU 554 Ca -0.06 0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 53.63 2ce8 s LEU 554 Cb -0.13 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 2ce8 s LEU 554 CO -0.03 0.07 0.06 -0.44 0.23 0.00 0.00 176.35 176.24 2ce8 s SER 555 N 0.47 5.68 -0.24 2.29 0.01 0.39 0.63 113.70 122.92 2ce8 s SER 555 Ca 0.20 0.19 -0.06 0.00 1.31 0.00 0.00 55.95 57.60 2ce8 s SER 555 Cb -0.14 -1.83 -0.02 0.00 0.21 0.00 0.00 66.02 64.24 2ce8 s SER 555 CO 0.07 0.30 0.04 -0.63 0.41 0.00 0.00 173.24 173.42 2ce8 s ILE 556 N -0.37 4.01 -0.17 1.44 1.01 0.11 -0.33 121.20 126.91 2ce8 s ILE 556 Ca 0.09 -0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 2ce8 s ILE 556 Cb -0.12 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 2ce8 s ILE 556 CO 0.02 0.34 -0.01 0.26 0.00 0.00 0.00 174.94 175.56 2ce8 s TRP 557 N 1.57 3.09 -0.22 3.97 0.52 -0.13 0.61 118.94 128.34 2ce8 s TRP 557 Ca 0.06 -0.22 -0.23 0.00 0.02 0.00 0.00 56.10 55.73 2ce8 s TRP 557 Cb -0.15 -2.01 -0.01 0.00 -1.15 0.00 0.00 33.47 30.15 2ce8 s TRP 557 CO 0.01 -0.01 0.74 0.34 0.02 0.00 0.00 176.95 178.05 2ce8 s ASP 558 N 0.45 6.76 -0.29 2.95 -1.08 0.12 -1.85 116.67 123.74 2ce8 s ASP 558 Ca -0.01 0.94 0.08 0.00 -0.52 0.00 0.00 52.55 53.04 2ce8 s ASP 558 Cb -0.14 -2.40 0.45 0.00 -1.46 0.00 0.00 42.92 39.38 2ce8 s ASP 558 CO 0.02 -0.40 1.30 0.18 0.52 0.00 0.00 175.17 176.79 2ce8 n LEU 559 N 5.57 4.16 0.04 -1.34 4.77 0.74 -1.52 117.00 129.42 2ce8 n LEU 559 Ca 0.02 -4.25 -0.10 0.00 -0.03 0.00 0.00 56.01 51.65 2ce8 n LEU 559 Cb 0.49 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 2ce8 n LEU 559 CO 0.46 1.67 0.75 0.00 -1.33 0.00 0.00 177.39 178.94 2ce8 h ALA 560 N 1.53 -0.16 0.00 -1.18 0.00 -1.90 -3.43 119.26 114.12 2ce8 h ALA 560 Ca 0.23 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2ce8 h ALA 560 Cb 1.33 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2ce8 h ALA 560 CO 0.47 -0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.08 2ce8 n ALA 561 N -2.52 0.85 1.55 0.00 0.00 -1.26 -4.99 120.51 114.14 2ce8 n ALA 561 Ca -0.04 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.54 2ce8 n ALA 561 Cb 0.21 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.24 2ce8 n ALA 561 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ce8 n PRO 562 N -2.04 1.49 -4.42 0.00 -0.04 -1.26 -4.94 135.00 123.80 2ce8 n PRO 562 Ca 0.00 -0.78 -0.34 0.00 -0.04 0.00 0.00 63.50 62.34 2ce8 n PRO 562 Cb 0.00 -1.48 -0.13 0.00 -0.04 0.00 0.00 33.50 31.85 2ce8 n PRO 562 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2ce8 s THR 563 N -2.04 3.66 0.36 0.52 -4.23 -1.26 -5.08 115.64 107.56 2ce8 s THR 563 Ca 0.38 -0.44 -0.28 0.00 -1.18 0.00 0.00 61.69 60.18 2ce8 s THR 563 Cb 0.21 -2.60 -0.12 0.00 1.34 0.00 0.00 72.50 71.33 2ce8 s THR 563 CO 0.36 0.49 1.34 -0.81 -0.54 0.00 0.00 174.62 175.46 2ce8 n PRO 564 N 3.70 2.26 -4.23 3.99 -0.04 -1.26 -4.88 135.00 134.54 2ce8 n PRO 564 Ca -0.18 0.79 -0.17 0.00 -0.04 0.00 0.00 63.50 63.91 2ce8 n PRO 564 Cb 0.52 -2.43 -0.15 0.00 -0.04 0.00 0.00 33.50 31.41 2ce8 n PRO 564 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2ce8 s ARG 565 N -1.98 0.58 -0.20 0.54 1.70 -0.57 -4.99 118.95 114.02 2ce8 s ARG 565 Ca 0.55 -0.22 -0.29 0.00 -0.47 0.00 0.00 55.73 55.30 2ce8 s ARG 565 Cb -0.54 -0.56 0.00 0.00 -0.57 0.00 0.00 34.95 33.28 2ce8 s ARG 565 CO 0.62 0.12 1.09 -1.50 -1.08 0.00 0.00 175.30 174.55 2ce8 s ILE 566 N -0.03 4.60 -0.18 4.99 1.10 -1.26 0.12 121.20 130.54 2ce8 s ILE 566 Ca 0.01 1.92 -0.08 0.00 -0.51 0.00 0.00 60.65 61.99 2ce8 s ILE 566 Cb -0.04 -4.24 -0.22 0.00 0.15 0.00 0.00 42.46 38.11 2ce8 s ILE 566 CO -0.00 -0.15 0.16 1.17 -2.11 0.00 0.00 174.94 174.01 2ce8 n LYS 567 N 6.21 0.69 -3.66 3.50 4.81 0.20 -4.90 118.16 125.01 2ce8 n LYS 567 Ca 0.12 0.30 -0.12 0.00 -0.87 0.00 0.00 58.31 57.73 2ce8 n LYS 567 Cb 0.46 -1.66 -0.06 0.00 0.02 0.00 0.00 35.03 33.79 2ce8 n LYS 567 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ce8 s ALA 568 N -2.51 -0.99 -0.18 3.14 0.00 -1.03 -5.00 121.76 115.19 2ce8 s ALA 568 Ca -0.27 0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.96 2ce8 s ALA 568 Cb 0.08 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.60 2ce8 s ALA 568 CO 0.68 -0.48 -0.17 -1.21 0.00 0.00 0.00 175.76 174.58 2ce8 s GLU 569 N -2.62 2.69 -0.40 0.00 0.41 -1.26 -0.71 118.70 116.81 2ce8 s GLU 569 Ca -0.04 -0.78 -0.17 0.00 -0.41 0.00 0.00 54.97 53.56 2ce8 s GLU 569 Cb -0.01 -2.45 0.01 0.00 -1.78 0.00 0.00 34.13 29.91 2ce8 s GLU 569 CO -0.03 -0.25 0.44 -0.51 -0.49 0.00 0.00 175.26 174.41 2ce8 s LEU 570 N 1.34 4.69 -0.08 1.80 1.43 0.21 -4.92 118.68 123.15 2ce8 s LEU 570 Ca 0.04 -0.49 -0.19 0.00 -1.03 0.00 0.00 54.13 52.46 2ce8 s LEU 570 Cb -0.14 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2ce8 s LEU 570 CO -0.12 -0.52 0.53 -0.89 0.23 0.00 0.00 176.35 175.58 2ce8 s THR 571 N 2.17 5.11 0.35 5.49 2.01 -1.26 -0.24 115.64 129.26 2ce8 s THR 571 Ca 0.13 1.07 0.08 0.00 0.31 0.00 0.00 61.69 63.29 2ce8 s THR 571 Cb -0.17 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 2ce8 s THR 571 CO 0.13 0.35 0.11 -0.94 -0.69 0.00 0.00 174.62 173.58 2ce8 s SER 572 N 0.40 4.52 0.05 3.53 1.04 -0.12 -5.00 113.70 118.12 2ce8 s SER 572 Ca 0.28 -0.87 0.24 0.00 0.48 0.00 0.00 55.95 56.09 2ce8 s SER 572 Cb -0.16 -0.65 0.31 0.00 0.10 0.00 0.00 66.02 65.62 2ce8 s SER 572 CO 0.13 -0.31 1.26 -1.54 0.98 0.00 0.00 173.24 173.76 2ce8 n SER 573 N -1.11 0.61 -4.75 7.02 3.41 -1.26 -4.79 113.62 112.75 2ce8 n SER 573 Ca -0.03 -0.16 -0.40 0.00 -0.26 0.00 0.00 58.87 58.02 2ce8 n SER 573 Cb 0.62 0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 64.91 2ce8 n SER 573 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ce8 s ALA 574 N -3.10 3.36 0.36 7.33 0.00 -1.26 -4.95 121.76 123.50 2ce8 s ALA 574 Ca 0.08 0.74 0.39 0.00 0.00 0.00 0.00 51.96 53.16 2ce8 s ALA 574 Cb 0.15 -3.28 1.90 0.00 0.00 0.00 0.00 23.12 21.90 2ce8 s ALA 574 CO 0.74 0.00 2.17 -1.00 0.00 0.00 0.00 175.76 177.67 2ce8 h PRO 575 N 4.32 0.00 -2.43 0.00 0.13 -1.88 -3.40 132.00 128.74 2ce8 h PRO 575 Ca -0.45 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 2ce8 h PRO 575 Cb 1.21 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.14 2ce8 h PRO 575 CO 0.69 0.00 -0.00 0.00 -0.23 0.00 0.00 178.00 178.45 2ce8 s ALA 576 N -3.90 -1.36 -0.14 -0.56 0.00 -1.25 -2.81 121.76 111.74 2ce8 s ALA 576 Ca -0.02 0.90 -0.02 0.00 0.00 0.00 0.00 51.96 52.82 2ce8 s ALA 576 Cb 0.11 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 2ce8 s ALA 576 CO 0.46 -0.32 -0.08 0.00 0.00 0.00 0.00 175.76 175.82 2ce8 n TYR 578 N 3.39 0.00 -3.58 0.00 0.53 -0.05 -3.63 117.16 113.82 2ce8 n TYR 578 Ca -0.18 0.00 -0.10 0.00 -1.02 0.00 0.00 57.90 56.60 2ce8 n TYR 578 Cb 0.53 -0.25 -0.05 0.00 -1.03 0.00 0.00 39.34 38.54 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 -3.05 -1.93 0.10 -0.72 0.00 -1.25 -4.60 121.76 110.30 2ce8 s ALA 579 Ca -0.01 1.58 0.05 0.00 0.00 0.00 0.00 51.96 53.58 2ce8 s ALA 579 Cb 0.13 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 2ce8 s ALA 579 CO 0.76 -0.31 -0.13 -0.51 0.00 0.00 0.00 175.76 175.57 2ce8 s LEU 580 N -1.13 2.36 0.01 0.00 1.43 -1.26 -1.13 118.68 118.96 2ce8 s LEU 580 Ca -0.02 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 2ce8 s LEU 580 Cb -0.00 -0.48 -0.01 0.00 0.03 0.00 0.00 46.19 45.73 2ce8 s LEU 580 CO 0.01 -0.15 -0.02 0.00 0.23 0.00 0.00 176.35 176.43 2ce8 s ALA 581 N -1.94 0.09 -0.12 4.21 0.00 -0.43 -4.90 121.76 118.67 2ce8 s ALA 581 Ca 0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 2ce8 s ALA 581 Cb -0.06 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2ce8 s ALA 581 CO 0.02 -0.04 0.03 0.42 0.00 0.00 0.00 175.76 176.19 2ce8 s ILE 582 N -0.52 4.55 0.63 0.00 -1.09 -1.26 0.05 121.20 123.55 2ce8 s ILE 582 Ca -0.05 -0.14 -0.18 0.00 -2.23 0.00 0.00 60.65 58.04 2ce8 s ILE 582 Cb -0.04 -2.97 -0.02 0.00 -1.58 0.00 0.00 42.46 37.86 2ce8 s ILE 582 CO -0.00 0.56 1.24 -0.94 -1.23 0.00 0.00 174.94 174.57 2ce8 s SER 583 N -0.42 4.83 0.56 3.58 1.04 -0.23 -4.90 113.70 118.16 2ce8 s SER 583 Ca 0.09 2.48 0.25 0.00 0.48 0.00 0.00 55.95 59.25 2ce8 s SER 583 Cb -0.12 -2.61 1.50 0.00 0.10 0.00 0.00 66.02 64.89 2ce8 s SER 583 CO 0.02 -1.84 2.08 -0.65 0.98 0.00 0.00 173.24 173.83 2ce8 h PRO 584 N 0.61 0.00 -0.06 4.02 0.11 -1.92 0.47 132.00 135.23 2ce8 h PRO 584 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2ce8 h PRO 584 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2ce8 h PRO 584 CO 0.54 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.93 2ce8 n ASP 585 N -4.14 1.01 0.00 -2.05 5.68 -1.26 -4.93 116.55 110.86 2ce8 n ASP 585 Ca 0.03 -1.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 2ce8 n ASP 585 Cb 0.36 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 2ce8 n ASP 585 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2ce8 n SER 586 N -0.16 -2.34 0.16 -1.12 7.64 0.15 -4.85 113.62 113.12 2ce8 n SER 586 Ca 0.18 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.18 2ce8 n SER 586 Cb 0.25 -1.85 0.11 0.00 -1.01 0.00 0.00 64.21 61.71 2ce8 n SER 586 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2ce8 h LYS 587 N 0.84 0.00 -4.32 1.43 1.57 -1.92 -3.46 116.57 110.71 2ce8 h LYS 587 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 2ce8 h LYS 587 Cb 0.29 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.29 2ce8 h LYS 587 CO 0.00 0.00 -0.77 0.08 -0.57 0.00 0.00 179.45 178.19 2ce8 s VAL 588 N -3.26 0.57 -0.13 0.50 1.01 -1.26 -1.22 120.40 116.60 2ce8 s VAL 588 Ca 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 2ce8 s VAL 588 Cb 0.08 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 2ce8 s VAL 588 CO 0.72 0.19 -0.07 0.00 0.00 0.00 0.00 175.10 175.94 2ce8 s PHE 590 N 0.11 3.29 -0.16 0.00 0.40 0.11 -0.69 117.98 121.04 2ce8 s PHE 590 Ca -0.03 0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.47 2ce8 s PHE 590 Cb -0.14 -2.25 0.00 0.00 0.51 0.00 0.00 43.02 41.14 2ce8 s PHE 590 CO 0.03 0.04 -0.16 0.45 0.70 0.00 0.00 175.22 176.28 2ce8 s SER 591 N 1.04 3.55 -0.40 1.36 0.15 0.89 -1.31 113.70 118.98 2ce8 s SER 591 Ca 0.07 -0.51 -0.29 0.00 0.70 0.00 0.00 55.95 55.92 2ce8 s SER 591 Cb -0.14 -1.55 0.02 0.00 -1.71 0.00 0.00 66.02 62.65 2ce8 s SER 591 CO 0.04 0.07 1.19 0.00 1.20 0.00 0.00 173.24 175.74 2ce8 h SER 594 N 2.04 0.00 -0.06 0.00 4.64 -1.23 -1.57 113.55 117.38 2ce8 h SER 594 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 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 0.68 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.74 2ce8 n ASP 595 N -3.11 1.10 0.00 4.97 3.85 -1.26 -2.96 116.55 119.14 2ce8 n ASP 595 Ca -0.02 -1.46 0.00 0.00 -0.71 0.00 0.00 54.79 52.59 2ce8 n ASP 595 Cb 0.11 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 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 1.08 2.27 3.78 6.12 0.00 -0.64 -4.50 105.19 113.30 2ce8 n GLY 596 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.50 7.25 -0.38 1.61 0.01 -1.26 -3.99 114.94 116.68 2ce8 s ASN 597 Ca 0.00 1.93 -0.16 0.00 -0.71 0.00 0.00 52.86 53.92 2ce8 s ASN 597 Cb 0.00 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.08 2ce8 s ASN 597 CO 0.00 -0.13 0.37 -0.63 -1.51 0.00 0.00 177.10 175.20 2ce8 s ILE 598 N -1.54 5.16 0.02 0.60 -1.09 -0.54 -0.87 121.20 122.94 2ce8 s ILE 598 Ca 0.50 -0.24 -0.24 0.00 -2.23 0.00 0.00 60.65 58.44 2ce8 s ILE 598 Cb -0.21 -3.91 -0.05 0.00 -1.58 0.00 0.00 42.46 36.70 2ce8 s ILE 598 CO 0.27 -0.25 0.73 0.00 -1.23 0.00 0.00 174.94 174.46 2ce8 s ALA 599 N 1.98 3.38 -0.25 9.38 0.00 0.17 -0.37 121.76 136.05 2ce8 s ALA 599 Ca 0.10 0.22 -0.05 0.00 0.00 0.00 0.00 51.96 52.23 2ce8 s ALA 599 Cb -0.17 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2ce8 s ALA 599 CO 0.12 0.05 0.01 0.08 0.00 0.00 0.00 175.76 176.03 2ce8 s VAL 600 N 0.07 3.62 -0.16 0.00 1.01 -0.27 -0.08 120.40 124.58 2ce8 s VAL 600 Ca 0.37 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 2ce8 s VAL 600 Cb -0.20 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2ce8 s VAL 600 CO 0.21 0.25 -0.04 0.26 0.00 0.00 0.00 175.10 175.79 2ce8 s TRP 601 N 1.48 3.01 -0.27 5.22 0.52 0.14 -0.65 118.94 128.39 2ce8 s TRP 601 Ca 0.04 -0.35 -0.29 0.00 0.02 0.00 0.00 56.10 55.52 2ce8 s TRP 601 Cb -0.16 -1.96 0.01 0.00 -1.15 0.00 0.00 33.47 30.21 2ce8 s TRP 601 CO -0.01 -0.07 1.13 0.34 0.02 0.00 0.00 176.95 178.36 2ce8 s ASP 602 N 0.43 6.94 -0.03 2.95 -1.08 0.91 -1.09 116.67 125.69 2ce8 s ASP 602 Ca -0.04 1.27 -0.24 0.00 -0.52 0.00 0.00 52.55 53.03 2ce8 s ASP 602 Cb -0.14 -2.54 -0.22 0.00 -1.46 0.00 0.00 42.92 38.55 2ce8 s ASP 602 CO 0.03 -0.83 1.08 -0.07 0.52 0.00 0.00 175.17 175.90 2ce8 h LEU 603 N 9.98 0.25 -0.62 -1.34 3.38 -1.47 0.19 115.31 125.68 2ce8 h LEU 603 Ca -0.22 -0.72 -0.01 0.00 0.09 0.00 0.00 57.88 57.01 2ce8 h LEU 603 Cb 1.07 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 2ce8 h LEU 603 CO 1.01 0.94 0.34 -0.74 0.09 0.00 0.00 178.44 180.08 2ce8 h HIS 604 N -0.41 0.85 0.00 1.13 2.76 -1.91 -2.91 115.15 114.65 2ce8 h HIS 604 Ca -0.03 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 2ce8 h HIS 604 Cb 0.96 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.65 2ce8 h HIS 604 CO 0.16 0.61 -0.55 0.09 -1.30 0.00 0.00 177.93 176.93 2ce8 n ASN 605 N -4.56 0.55 -2.46 3.26 3.02 -1.25 -4.98 115.26 108.85 2ce8 n ASN 605 Ca 0.04 -0.08 -0.12 0.00 -0.03 0.00 0.00 54.58 54.40 2ce8 n ASN 605 Cb 0.08 0.22 0.05 0.00 -0.61 0.00 0.00 39.78 39.53 2ce8 n ASN 605 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ce8 n GLN 606 N -1.74 -4.27 -3.80 3.52 6.02 0.61 -5.01 117.38 112.71 2ce8 n GLN 606 Ca 0.05 0.51 -0.13 0.00 -0.01 0.00 0.00 57.00 57.42 2ce8 n GLN 606 Cb 0.38 -4.56 -0.12 0.00 1.02 0.00 0.00 30.24 26.96 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 -3.21 -0.00 -0.20 5.09 -1.32 -0.81 -4.98 115.64 110.21 2ce8 s THR 607 Ca 0.10 0.01 -0.29 0.00 -1.21 0.00 0.00 61.69 60.30 2ce8 s THR 607 Cb -0.04 -0.28 -0.00 0.00 -1.51 0.00 0.00 72.50 70.67 2ce8 s THR 607 CO 0.44 0.00 1.16 -0.22 -2.21 0.00 0.00 174.62 173.80 2ce8 s LEU 608 N 0.18 4.14 -0.06 9.08 2.96 -1.26 -0.06 118.68 133.65 2ce8 s LEU 608 Ca -0.01 1.54 0.12 0.00 -0.22 0.00 0.00 54.13 55.57 2ce8 s LEU 608 Cb -0.02 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 42.95 2ce8 s LEU 608 CO -0.00 -0.72 0.19 1.33 -1.32 0.00 0.00 176.35 175.83 2ce8 n VAL 609 N 5.36 0.34 -3.55 1.68 0.24 0.18 -4.95 118.33 117.62 2ce8 n VAL 609 Ca 0.13 -0.39 -0.13 0.00 -2.04 0.00 0.00 64.34 61.91 2ce8 n VAL 609 Cb 0.45 -0.16 -0.05 0.00 -1.47 0.00 0.00 33.84 32.62 2ce8 n VAL 609 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2ce8 s ARG 610 N -2.66 0.79 -0.11 7.34 3.52 -1.23 -5.04 118.95 121.56 2ce8 s ARG 610 Ca -0.05 0.12 0.02 0.00 -0.13 0.00 0.00 55.73 55.69 2ce8 s ARG 610 Cb 0.06 0.37 0.02 0.00 -1.56 0.00 0.00 34.95 33.84 2ce8 s ARG 610 CO 0.53 -0.26 -0.15 -0.65 -0.81 0.00 0.00 175.30 173.96 2ce8 s GLN 611 N -1.40 2.15 -0.52 5.12 -0.21 -1.26 -1.12 119.66 122.43 2ce8 s GLN 611 Ca -0.04 -0.54 -0.28 0.00 0.02 0.00 0.00 55.36 54.53 2ce8 s GLN 611 Cb -0.00 -1.85 0.03 0.00 1.00 0.00 0.00 33.01 32.19 2ce8 s GLN 611 CO 0.03 -0.07 1.10 -0.06 -2.12 0.00 0.00 175.29 174.17 2ce8 s PHE 612 N 1.01 2.76 -0.10 0.91 0.08 0.50 -4.92 117.98 118.22 2ce8 s PHE 612 Ca -0.06 0.48 -0.03 0.00 0.12 0.00 0.00 56.93 57.44 2ce8 s PHE 612 Cb -0.15 -4.35 -0.03 0.00 -0.57 0.00 0.00 43.02 37.92 2ce8 s PHE 612 CO -0.02 -1.36 -0.00 -0.65 -0.10 0.00 0.00 175.22 173.09 2ce8 s GLN 613 N 4.45 3.17 0.00 0.44 -0.21 -1.26 -1.47 119.66 124.79 2ce8 s GLN 613 Ca 0.43 -0.42 0.00 0.00 0.02 0.00 0.00 55.36 55.38 2ce8 s GLN 613 Cb -0.08 -2.84 0.00 0.00 1.00 0.00 0.00 33.01 31.09 2ce8 s GLN 613 CO 0.28 0.59 0.00 0.41 -2.12 0.00 0.00 175.29 174.45 2ce8 n GLY 614 N 2.49 -0.10 3.60 3.09 0.00 -1.26 -4.94 105.19 108.06 2ce8 n GLY 614 Ca -0.18 0.19 -0.50 0.00 0.00 0.00 0.00 46.02 45.53 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 1.58 -0.59 1.61 8.25 -1.26 -4.85 115.22 119.96 2ce8 n HIS 615 Ca 0.00 0.59 0.09 0.00 -0.26 0.00 0.00 57.72 58.15 2ce8 n HIS 615 Cb 0.00 -2.35 0.34 0.00 1.12 0.00 0.00 29.99 29.10 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 2.31 1.73 -3.83 1.59 -2.24 -1.26 -4.47 114.28 108.11 2ce8 n THR 616 Ca 0.17 -1.21 -0.08 0.00 -2.27 0.00 0.00 64.05 60.67 2ce8 n THR 616 Cb 0.22 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 2ce8 n THR 616 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ce8 s ASP 617 N -0.98 -0.12 0.39 3.42 -1.08 -1.26 -4.92 116.67 112.13 2ce8 s ASP 617 Ca 0.49 -0.87 -0.26 0.00 -0.52 0.00 0.00 52.55 51.40 2ce8 s ASP 617 Cb 0.31 0.77 -0.11 0.00 -1.46 0.00 0.00 42.92 42.43 2ce8 s ASP 617 CO 0.24 -1.48 1.13 0.61 0.52 0.00 0.00 175.17 176.19 2ce8 n GLY 618 N -0.51 0.13 3.69 2.66 0.00 -1.15 -3.50 105.19 106.51 2ce8 n GLY 618 Ca -0.06 0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.20 3.48 -0.83 4.61 0.00 -0.88 -0.83 121.76 126.11 2ce8 s ALA 619 Ca 0.61 -0.15 0.17 0.00 0.00 0.00 0.00 51.96 52.59 2ce8 s ALA 619 Cb -0.56 -2.91 -0.19 0.00 0.00 0.00 0.00 23.12 19.46 2ce8 s ALA 619 CO 0.58 -0.34 0.75 -1.13 0.00 0.00 0.00 175.76 175.62 2ce8 n SER 620 N 4.47 0.83 -3.54 0.00 3.41 -0.10 -4.39 113.62 114.30 2ce8 n SER 620 Ca -0.02 -0.91 -0.07 0.00 -0.26 0.00 0.00 58.87 57.61 2ce8 n SER 620 Cb 0.50 1.01 -0.02 0.00 -0.26 0.00 0.00 64.21 65.44 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 -2.92 0.00 0.22 0.00 2.07 -1.26 -1.33 121.20 117.98 2ce8 s ILE 622 Ca 0.07 0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 59.14 2ce8 s ILE 622 Cb -0.01 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.60 2ce8 s ILE 622 CO -0.07 0.00 0.55 -0.62 -1.91 0.00 0.00 174.94 172.88 2ce8 s ASP 623 N -0.43 -0.23 0.00 4.50 -1.08 -0.10 -4.88 116.67 114.45 2ce8 s ASP 623 Ca -0.01 -0.59 0.05 0.00 -0.52 0.00 0.00 52.55 51.48 2ce8 s ASP 623 Cb -0.03 0.60 -0.03 0.00 -1.46 0.00 0.00 42.92 42.01 2ce8 s ASP 623 CO 0.00 -1.12 -0.15 -0.63 0.52 0.00 0.00 175.17 173.79 2ce8 s ILE 624 N -3.91 3.01 0.90 4.11 1.01 -1.26 -0.55 121.20 124.51 2ce8 s ILE 624 Ca 0.12 -0.96 -0.10 0.00 0.00 0.00 0.00 60.65 59.71 2ce8 s ILE 624 Cb -0.02 -2.24 0.14 0.00 0.01 0.00 0.00 42.46 40.35 2ce8 s ILE 624 CO 0.01 0.44 1.13 -0.94 0.00 0.00 0.00 174.94 175.58 2ce8 s SER 625 N -1.18 3.08 0.48 3.58 1.04 0.09 -4.81 113.70 115.98 2ce8 s SER 625 Ca 0.14 2.10 0.21 0.00 0.48 0.00 0.00 55.95 58.87 2ce8 s SER 625 Cb -0.11 -2.54 1.21 0.00 0.10 0.00 0.00 66.02 64.68 2ce8 s SER 625 CO 0.04 -2.99 2.01 -0.55 0.98 0.00 0.00 173.24 172.74 2ce8 h ASN 626 N -1.79 0.00 0.28 7.02 -1.07 -1.86 -1.49 115.58 116.68 2ce8 h ASN 626 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.93 2ce8 h ASN 626 Cb 1.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.52 2ce8 h ASN 626 CO 0.44 0.17 -0.02 -0.90 0.07 0.00 0.00 177.43 177.18 2ce8 n ASP 627 N -3.93 0.19 0.00 6.14 3.85 -1.26 -4.93 116.55 116.60 2ce8 n ASP 627 Ca -0.02 -0.63 0.00 0.00 -0.71 0.00 0.00 54.79 53.43 2ce8 n ASP 627 Cb 0.26 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 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 1.17 0.50 0.00 6.12 0.00 -0.56 -4.93 105.19 107.50 2ce8 n GLY 628 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.00 0.00 -4.72 2.61 -2.24 -1.26 -4.91 114.28 100.76 2ce8 n THR 629 Ca 0.00 -0.25 -0.23 0.00 -2.27 0.00 0.00 64.05 61.29 2ce8 n THR 629 Cb 0.00 0.72 -0.15 0.00 -2.10 0.00 0.00 70.33 68.80 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 -2.21 1.26 -0.10 -0.78 -0.14 -1.26 -1.46 119.74 115.04 2ce8 s LYS 630 Ca 0.01 -0.55 -0.04 0.00 -1.36 0.00 0.00 55.97 54.03 2ce8 s LYS 630 Cb 0.07 -1.21 -0.04 0.00 -1.68 0.00 0.00 37.83 34.97 2ce8 s LYS 630 CO 0.41 0.33 0.08 -1.17 -0.76 0.00 0.00 175.35 174.24 2ce8 s LEU 631 N -0.34 4.05 -0.08 3.17 2.96 0.10 -0.74 118.68 127.80 2ce8 s LEU 631 Ca 0.06 0.32 0.04 0.00 -0.22 0.00 0.00 54.13 54.32 2ce8 s LEU 631 Cb -0.06 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.63 2ce8 s LEU 631 CO -0.01 0.38 -0.19 0.26 -1.32 0.00 0.00 176.35 175.47 2ce8 s TRP 632 N -1.00 2.10 0.02 5.38 0.52 0.28 -1.14 118.94 125.10 2ce8 s TRP 632 Ca 0.15 -0.80 0.03 0.00 0.02 0.00 0.00 56.10 55.50 2ce8 s TRP 632 Cb -0.12 -1.43 -0.01 0.00 -1.15 0.00 0.00 33.47 30.76 2ce8 s TRP 632 CO 0.04 -0.33 -0.08 0.95 0.02 0.00 0.00 176.95 177.55 2ce8 s THR 633 N 0.38 0.63 0.09 2.01 -4.23 -0.45 -0.92 115.64 113.15 2ce8 s THR 633 Ca -0.15 -0.67 0.06 0.00 -1.18 0.00 0.00 61.69 59.75 2ce8 s THR 633 Cb -0.16 -0.59 -0.04 0.00 1.34 0.00 0.00 72.50 73.04 2ce8 s THR 633 CO 0.06 -0.05 -0.06 -0.83 -0.54 0.00 0.00 174.62 173.20 2ce8 s GLY 634 N -0.80 1.84 0.08 3.99 0.00 -0.44 -0.79 107.32 111.20 2ce8 s GLY 634 Ca -0.02 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 43.55 2ce8 s GLY 634 CO 0.00 -1.14 -0.07 -0.32 0.00 0.00 0.00 173.10 171.57 2ce8 s GLY 635 N -2.15 0.71 0.00 0.20 0.00 -0.58 -0.92 107.32 104.58 2ce8 s GLY 635 Ca 0.22 -1.18 0.23 0.00 0.00 0.00 0.00 44.72 44.00 2ce8 s GLY 635 CO 0.15 -1.27 1.76 1.04 0.00 0.00 0.00 173.10 174.78 2ce8 n LEU 636 N 0.41 0.00 -0.74 0.66 4.77 -0.01 -1.97 117.00 120.12 2ce8 n LEU 636 Ca -0.15 0.05 0.04 0.00 -0.03 0.00 0.00 56.01 55.92 2ce8 n LEU 636 Cb 0.59 -0.05 0.14 0.00 -2.33 0.00 0.00 43.42 41.76 2ce8 n LEU 636 CO 0.27 -0.01 0.56 -0.90 -1.33 0.00 0.00 177.39 175.98 2ce8 n ASP 637 N -1.05 2.07 -1.72 -1.43 5.75 -1.26 -4.82 116.55 114.08 2ce8 n ASP 637 Ca 0.16 -2.15 -0.14 0.00 -0.01 0.00 0.00 54.79 52.65 2ce8 n ASP 637 Cb 0.10 -0.35 -0.00 0.00 -1.03 0.00 0.00 41.12 39.84 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 0.30 -4.42 -4.12 -1.12 4.13 -0.83 -4.92 115.26 104.27 2ce8 n ASN 638 Ca 0.10 -0.05 -0.15 0.00 1.68 0.00 0.00 54.58 56.16 2ce8 n ASN 638 Cb 0.40 -3.52 -0.12 0.00 -1.54 0.00 0.00 39.78 35.00 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 -2.76 0.84 -0.08 3.41 -4.23 -1.25 0.36 115.64 111.93 2ce8 s THR 639 Ca 0.04 -1.25 0.01 0.00 -1.18 0.00 0.00 61.69 59.31 2ce8 s THR 639 Cb -0.02 -0.90 -0.03 0.00 1.34 0.00 0.00 72.50 72.89 2ce8 s THR 639 CO 0.05 -0.33 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.03 2ce8 s VAL 640 N -1.46 3.59 0.00 2.29 1.01 0.11 -1.52 120.40 124.42 2ce8 s VAL 640 Ca -0.05 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.48 2ce8 s VAL 640 Cb -0.09 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 2ce8 s VAL 640 CO 0.01 0.58 -0.18 -0.13 0.00 0.00 0.00 175.10 175.39 2ce8 s ARG 641 N -0.63 1.35 0.11 2.72 0.52 0.03 -0.00 118.95 123.05 2ce8 s ARG 641 Ca 0.09 -0.70 0.06 0.00 -0.52 0.00 0.00 55.73 54.67 2ce8 s ARG 641 Cb -0.11 -1.34 -0.04 0.00 0.52 0.00 0.00 34.95 33.97 2ce8 s ARG 641 CO 0.02 0.36 -0.06 -1.54 0.02 0.00 0.00 175.30 174.10 2ce8 s SER 642 N -0.64 4.62 -0.00 0.23 1.04 -0.27 -1.33 113.70 117.35 2ce8 s SER 642 Ca 0.06 -0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.19 2ce8 s SER 642 Cb -0.07 -0.96 -0.01 0.00 0.10 0.00 0.00 66.02 65.08 2ce8 s SER 642 CO 0.00 0.17 -0.07 0.26 0.98 0.00 0.00 173.24 174.57 2ce8 s TRP 643 N -1.30 0.66 -0.36 5.02 0.52 -0.29 0.12 118.94 123.31 2ce8 s TRP 643 Ca 0.23 -0.14 -0.29 0.00 0.02 0.00 0.00 56.10 55.93 2ce8 s TRP 643 Cb -0.11 -0.42 0.02 0.00 -1.15 0.00 0.00 33.47 31.81 2ce8 s TRP 643 CO 0.16 -0.01 1.11 0.34 0.02 0.00 0.00 176.95 178.56 2ce8 s ASP 644 N -0.22 6.83 0.59 2.95 2.15 -0.44 -0.72 116.67 127.82 2ce8 s ASP 644 Ca 0.02 0.89 0.37 0.00 0.43 0.00 0.00 52.55 54.27 2ce8 s ASP 644 Cb -0.03 -2.55 1.81 0.00 -0.30 0.00 0.00 42.92 41.85 2ce8 s ASP 644 CO -0.00 -1.00 2.15 -0.07 -0.17 0.00 0.00 175.17 176.08 2ce8 h LEU 645 N 10.46 0.00 0.00 -1.34 3.38 -1.59 0.13 115.31 126.35 2ce8 h LEU 645 Ca -0.21 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 2ce8 h LEU 645 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2ce8 h LEU 645 CO 1.06 0.02 -1.07 0.54 0.09 0.00 0.00 178.44 179.09 2ce8 n ARG 646 N -3.19 0.52 -0.33 1.13 1.74 -1.26 -4.39 116.66 110.88 2ce8 n ARG 646 Ca -0.01 0.33 0.21 0.00 -0.77 0.00 0.00 57.85 57.61 2ce8 n ARG 646 Cb 0.20 -1.53 0.46 0.00 -1.02 0.00 0.00 32.46 30.57 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 -1.00 0.45 0.00 5.56 5.08 -1.95 -3.46 114.58 119.26 2ce8 h GLU 647 Ca -0.11 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2ce8 h GLU 647 Cb 0.96 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2ce8 h GLU 647 CO -0.07 0.30 0.00 0.41 -1.00 0.00 0.00 179.01 178.65 2ce8 n GLY 648 N -1.41 2.12 0.36 -3.84 0.00 0.44 -5.04 105.19 97.82 2ce8 n GLY 648 Ca 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.25 2ce8 n GLY 648 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ce8 n ARG 649 N -2.00 0.96 -2.46 1.61 1.74 -1.24 -4.80 116.66 110.47 2ce8 n ARG 649 Ca 0.00 -0.37 -0.41 0.00 -0.77 0.00 0.00 57.85 56.30 2ce8 n ARG 649 Cb 0.00 0.20 -0.04 0.00 -1.02 0.00 0.00 32.46 31.60 2ce8 n ARG 649 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2ce8 s GLN 650 N -2.17 4.59 -0.01 5.56 0.74 -1.26 -1.33 119.66 125.78 2ce8 s GLN 650 Ca 0.02 1.80 -0.02 0.00 0.05 0.00 0.00 55.36 57.22 2ce8 s GLN 650 Cb 0.00 -3.22 -0.01 0.00 1.10 0.00 0.00 33.01 30.88 2ce8 s GLN 650 CO 0.01 0.10 -0.03 1.28 -0.55 0.00 0.00 175.29 176.10 2ce8 n LEU 651 N 1.83 0.22 -4.77 3.68 4.77 0.32 -4.87 117.00 118.18 2ce8 n LEU 651 Ca 0.01 0.04 -0.24 0.00 -0.03 0.00 0.00 56.01 55.79 2ce8 n LEU 651 Cb 0.45 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 2ce8 n LEU 651 CO 0.54 -0.49 -0.22 -1.10 -1.33 0.00 0.00 177.39 174.79 2ce8 s GLN 652 N -1.21 2.77 -0.01 3.23 -0.21 -1.16 -4.93 119.66 118.15 2ce8 s GLN 652 Ca -0.03 -1.06 0.01 0.00 0.02 0.00 0.00 55.36 54.31 2ce8 s GLN 652 Cb 0.00 -2.51 0.00 0.00 1.00 0.00 0.00 33.01 31.51 2ce8 s GLN 652 CO 0.04 0.43 -0.04 -1.14 -2.12 0.00 0.00 175.29 172.46 2ce8 s GLN 653 N -3.50 0.37 -0.12 2.91 0.74 -1.26 -1.11 119.66 117.69 2ce8 s GLN 653 Ca 0.31 -0.11 0.01 0.00 0.05 0.00 0.00 55.36 55.63 2ce8 s GLN 653 Cb -0.08 -0.40 0.02 0.00 1.10 0.00 0.00 33.01 33.65 2ce8 s GLN 653 CO 0.23 0.04 -0.15 -1.01 -0.55 0.00 0.00 175.29 173.85 2ce8 s HIS 654 N 0.17 2.02 -0.17 1.67 3.76 1.00 -4.98 115.29 118.75 2ce8 s HIS 654 Ca -0.01 -1.02 -0.11 0.00 -0.15 0.00 0.00 55.06 53.77 2ce8 s HIS 654 Cb -0.05 -1.47 -0.05 0.00 1.11 0.00 0.00 32.58 32.12 2ce8 s HIS 654 CO -0.00 -0.54 0.19 -0.51 -0.85 0.00 0.00 174.74 173.02 2ce8 s ASP 655 N 1.18 6.32 0.34 1.40 1.01 -1.26 -0.72 116.67 124.94 2ce8 s ASP 655 Ca -0.02 0.37 0.08 0.00 0.71 0.00 0.00 52.55 53.69 2ce8 s ASP 655 Cb -0.14 -2.12 -0.07 0.00 1.01 0.00 0.00 42.92 41.61 2ce8 s ASP 655 CO -0.05 0.19 -0.07 -0.36 0.21 0.00 0.00 175.17 175.10 2ce8 s PHE 656 N 0.14 2.29 -0.49 4.23 0.40 0.16 -5.00 117.98 119.71 2ce8 s PHE 656 Ca 0.12 -0.59 0.24 0.00 -0.60 0.00 0.00 56.93 56.10 2ce8 s PHE 656 Cb -0.12 -1.37 0.38 0.00 0.51 0.00 0.00 43.02 42.42 2ce8 s PHE 656 CO 0.01 0.47 1.49 1.15 0.70 0.00 0.00 175.22 179.04 2ce8 h THR 657 N 2.05 0.00 -4.37 0.64 2.02 -1.99 -3.46 112.91 107.81 2ce8 h THR 657 Ca -0.42 -0.81 -0.33 0.00 0.77 0.00 0.00 66.41 65.62 2ce8 h THR 657 Cb 1.24 1.65 -0.14 0.00 -1.74 0.00 0.00 68.15 69.16 2ce8 h THR 657 CO 0.71 0.00 -0.59 -0.94 0.37 0.00 0.00 175.52 175.07 2ce8 s SER 658 N -5.39 0.84 0.63 4.18 1.04 -1.26 -5.06 113.70 108.68 2ce8 s SER 658 Ca 0.06 -1.48 -0.18 0.00 0.48 0.00 0.00 55.95 54.83 2ce8 s SER 658 Cb 0.09 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 2ce8 s SER 658 CO 0.68 -0.87 1.26 -1.10 0.98 0.00 0.00 173.24 174.20 2ce8 s GLN 659 N -3.96 2.68 -0.21 4.02 -0.21 -1.26 -4.39 119.66 116.34 2ce8 s GLN 659 Ca 0.38 1.97 -0.11 0.00 0.02 0.00 0.00 55.36 57.63 2ce8 s GLN 659 Cb 0.06 -1.87 -0.05 0.00 1.00 0.00 0.00 33.01 32.15 2ce8 s GLN 659 CO 0.16 -1.47 0.17 0.42 -2.12 0.00 0.00 175.29 172.45 2ce8 s ILE 660 N -1.48 5.37 -0.04 1.08 1.09 -0.85 -1.10 121.20 125.28 2ce8 s ILE 660 Ca 0.81 0.25 0.08 0.00 -1.10 0.00 0.00 60.65 60.69 2ce8 s ILE 660 Cb -0.35 -3.51 -0.13 0.00 -1.06 0.00 0.00 42.46 37.42 2ce8 s ILE 660 CO 0.38 0.40 0.14 0.49 -0.10 0.00 0.00 174.94 176.24 2ce8 n PHE 661 N 3.79 0.00 -3.73 3.97 0.99 -0.38 -4.24 117.46 117.85 2ce8 n PHE 661 Ca -0.15 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.19 2ce8 n PHE 661 Cb 0.52 -0.28 -0.06 0.00 -1.00 0.00 0.00 39.48 38.65 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 -3.40 -0.13 0.12 4.37 1.04 -1.00 -4.65 113.70 110.05 2ce8 s SER 662 Ca -0.04 -0.29 -0.21 0.00 0.48 0.00 0.00 55.95 55.89 2ce8 s SER 662 Cb 0.05 0.40 0.06 0.00 0.10 0.00 0.00 66.02 66.62 2ce8 s SER 662 CO 0.36 -0.71 0.54 -1.48 0.98 0.00 0.00 173.24 172.93 2ce8 s LEU 663 N -2.42 -0.22 -0.03 2.42 2.34 -1.26 -0.34 118.68 119.18 2ce8 s LEU 663 Ca -0.01 -0.01 -0.15 0.00 0.06 0.00 0.00 54.13 54.02 2ce8 s LEU 663 Cb 0.01 2.30 0.03 0.00 -0.56 0.00 0.00 46.19 47.97 2ce8 s LEU 663 CO -0.07 -0.87 0.34 -0.83 -1.06 0.00 0.00 176.35 173.86 2ce8 s GLY 664 N -2.52 -0.19 -0.17 -3.48 0.00 -0.03 -4.75 107.32 96.18 2ce8 s GLY 664 Ca -0.00 0.46 -0.05 0.00 0.00 0.00 0.00 44.72 45.12 2ce8 s GLY 664 CO -0.09 0.25 0.01 -0.47 0.00 0.00 0.00 173.10 172.79 2ce8 s TYR 665 N -1.15 3.11 0.02 1.90 5.04 -1.26 -1.19 117.35 123.82 2ce8 s TYR 665 Ca -0.12 -0.18 -0.32 0.00 -2.44 0.00 0.00 57.07 54.01 2ce8 s TYR 665 Cb -0.05 -2.03 -0.11 0.00 0.35 0.00 0.00 41.96 40.13 2ce8 s TYR 665 CO 0.04 -0.00 1.87 0.00 -1.34 0.00 0.00 175.55 176.12 2ce8 h PRO 667 N 9.14 0.00 -0.02 0.00 0.11 -1.87 0.13 132.00 139.50 2ce8 h PRO 667 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 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 0.94 0.04 -0.01 0.25 -0.21 0.00 0.00 178.00 179.00 2ce8 n THR 668 N -3.67 0.00 0.00 -1.15 -2.24 -1.26 -4.77 114.28 101.19 2ce8 n THR 668 Ca -0.03 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2ce8 n THR 668 Cb 0.13 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.19 1.06 3.72 3.38 0.00 0.45 -5.01 105.19 109.98 2ce8 n GLY 669 Ca 0.18 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 0.69 0.00 -4.64 1.61 2.13 -1.26 -4.67 120.64 114.50 2ce8 n GLU 670 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 2ce8 n GLU 670 Cb 0.00 -0.11 -0.15 0.00 0.27 0.00 0.00 31.44 31.45 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 -0.32 1.30 -0.20 4.31 0.52 -1.26 -0.09 118.94 123.19 2ce8 s TRP 671 Ca 0.00 -0.26 0.01 0.00 0.02 0.00 0.00 56.10 55.87 2ce8 s TRP 671 Cb 0.00 -0.83 0.04 0.00 -1.15 0.00 0.00 33.47 31.54 2ce8 s TRP 671 CO 0.00 -0.01 -0.10 -1.17 0.02 0.00 0.00 176.95 175.69 2ce8 s LEU 672 N -0.44 2.28 0.02 2.99 2.96 -0.45 -0.27 118.68 125.78 2ce8 s LEU 672 Ca 0.05 -0.89 -0.21 0.00 -0.22 0.00 0.00 54.13 52.86 2ce8 s LEU 672 Cb -0.06 -1.22 -0.06 0.00 0.50 0.00 0.00 46.19 45.35 2ce8 s LEU 672 CO -0.00 -0.15 0.61 0.00 -1.32 0.00 0.00 176.35 175.49 2ce8 s ALA 673 N 1.40 3.50 -0.07 5.97 0.00 -0.33 -0.23 121.76 131.99 2ce8 s ALA 673 Ca -0.01 0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.03 2ce8 s ALA 673 Cb -0.16 -2.75 0.01 0.00 0.00 0.00 0.00 23.12 20.22 2ce8 s ALA 673 CO -0.08 0.21 -0.14 0.08 0.00 0.00 0.00 175.76 175.84 2ce8 s VAL 674 N -0.42 1.26 -0.19 0.00 1.01 0.13 -0.85 120.40 121.34 2ce8 s VAL 674 Ca 0.31 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 2ce8 s VAL 674 Cb -0.19 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2ce8 s VAL 674 CO 0.18 0.38 0.07 -0.83 0.00 0.00 0.00 175.10 174.90 2ce8 s GLY 675 N 0.70 1.90 0.16 4.51 0.00 0.54 -1.04 107.32 114.09 2ce8 s GLY 675 Ca -0.14 -0.78 0.09 0.00 0.00 0.00 0.00 44.72 43.89 2ce8 s GLY 675 CO 0.03 0.11 -0.12 1.06 0.00 0.00 0.00 173.10 174.18 2ce8 s MET 676 N 0.49 1.99 0.38 2.90 -1.94 -0.81 -1.25 119.30 121.06 2ce8 s MET 676 Ca 0.03 -1.25 0.12 0.00 -1.71 0.00 0.00 55.69 52.88 2ce8 s MET 676 Cb -0.13 -2.15 0.91 0.00 2.01 0.00 0.00 34.83 35.48 2ce8 s MET 676 CO 0.01 0.45 1.88 1.49 -0.01 0.00 0.00 175.02 178.83 2ce8 h GLU 677 N 3.12 0.57 0.00 2.03 4.81 -1.42 -1.98 114.58 121.72 2ce8 h GLU 677 Ca -0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2ce8 h GLU 677 Cb 1.20 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2ce8 h GLU 677 CO 0.52 0.38 0.00 0.45 -0.73 0.00 0.00 179.01 179.63 2ce8 n SER 678 N -4.54 0.00 0.00 1.04 2.88 -1.26 -3.56 113.62 108.19 2ce8 n SER 678 Ca 0.17 0.77 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 2ce8 n SER 678 Cb 0.51 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 2ce8 n SER 678 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2ce8 n SER 679 N -1.46 0.00 -4.77 -3.46 3.41 -1.01 -2.83 113.62 103.50 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 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 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 0.00 6.43 -0.18 4.04 -0.87 -1.26 -4.14 114.94 118.97 2ce8 s ASN 680 Ca 0.00 2.21 -0.05 0.00 -1.57 0.00 0.00 52.86 53.45 2ce8 s ASN 680 Cb 0.00 -2.60 -0.03 0.00 -0.02 0.00 0.00 41.25 38.60 2ce8 s ASN 680 CO 0.00 -0.73 0.00 -0.69 -2.57 0.00 0.00 177.10 173.12 2ce8 s VAL 681 N -1.57 4.17 -0.07 1.60 1.01 -0.95 -1.92 120.40 122.68 2ce8 s VAL 681 Ca 0.60 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.35 2ce8 s VAL 681 Cb -0.26 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 2ce8 s VAL 681 CO 0.33 0.46 -0.10 -1.61 0.00 0.00 0.00 175.10 174.18 2ce8 s GLU 682 N 0.56 2.72 -0.30 2.72 2.02 -0.21 -0.66 118.70 125.56 2ce8 s GLU 682 Ca -0.01 -0.61 0.03 0.00 0.02 0.00 0.00 54.97 54.41 2ce8 s GLU 682 Cb -0.14 -2.52 0.08 0.00 0.10 0.00 0.00 34.13 31.65 2ce8 s GLU 682 CO 0.02 0.61 -0.02 0.08 0.02 0.00 0.00 175.26 175.96 2ce8 s VAL 683 N -0.66 2.24 0.06 2.63 1.01 0.04 0.18 120.40 125.90 2ce8 s VAL 683 Ca 0.10 -2.02 -0.20 0.00 0.00 0.00 0.00 61.98 59.86 2ce8 s VAL 683 Cb -0.11 -2.50 -0.06 0.00 0.00 0.00 0.00 36.38 33.70 2ce8 s VAL 683 CO 0.01 -0.33 0.60 -0.76 0.00 0.00 0.00 175.10 174.62 2ce8 s LEU 684 N 1.00 4.50 -0.40 3.92 1.02 0.67 -1.05 118.68 128.34 2ce8 s LEU 684 Ca 0.02 1.28 -0.25 0.00 0.02 0.00 0.00 54.13 55.20 2ce8 s LEU 684 Cb -0.19 -2.96 0.02 0.00 0.02 0.00 0.00 46.19 43.08 2ce8 s LEU 684 CO -0.07 0.21 0.88 -2.28 0.02 0.00 0.00 176.35 175.12 2ce8 s HIS 685 N -0.81 3.03 0.09 0.29 2.46 -0.80 -1.34 115.29 118.21 2ce8 s HIS 685 Ca 0.31 0.56 -0.31 0.00 0.47 0.00 0.00 55.06 56.09 2ce8 s HIS 685 Cb -0.20 -3.69 -0.09 0.00 -0.13 0.00 0.00 32.58 28.47 2ce8 s HIS 685 CO 0.19 -0.90 1.64 0.08 -2.47 0.00 0.00 174.74 173.28 2ce8 s VAL 686 N 3.47 2.92 0.00 0.89 1.01 0.87 -1.77 120.40 127.79 2ce8 s VAL 686 Ca 0.36 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.80 2ce8 s VAL 686 Cb -0.12 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2ce8 s VAL 686 CO 0.21 0.01 0.00 0.59 0.00 0.00 0.00 175.10 175.91 2ce8 n ASN 687 N 5.23 -2.20 -4.42 3.32 3.02 -1.26 -4.93 115.26 114.02 2ce8 n ASN 687 Ca 0.15 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.50 2ce8 n ASN 687 Cb 0.40 -1.13 -0.10 0.00 -0.61 0.00 0.00 39.78 38.33 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 -0.48 1.52 0.00 3.52 1.02 -0.73 -5.08 119.74 119.51 2ce8 s LYS 688 Ca 0.00 -1.75 0.23 0.00 0.02 0.00 0.00 55.97 54.47 2ce8 s LYS 688 Cb 0.00 -1.16 0.63 0.00 -0.52 0.00 0.00 37.83 36.78 2ce8 s LYS 688 CO 0.00 0.07 1.53 -0.35 -0.92 0.00 0.00 175.35 175.68 2ce8 n PRO 689 N -0.55 2.71 -3.47 -1.68 -0.04 -1.26 -4.62 135.00 126.09 2ce8 n PRO 689 Ca -0.06 -2.65 -0.19 0.00 -0.04 0.00 0.00 63.50 60.56 2ce8 n PRO 689 Cb 0.63 -1.57 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.05 5.74 0.20 3.54 -4.77 -1.26 -3.96 116.67 115.11 2ce8 s ASP 690 Ca 0.49 -0.31 -0.19 0.00 -3.30 0.00 0.00 52.55 49.23 2ce8 s ASP 690 Cb 0.26 -1.06 0.04 0.00 -1.09 0.00 0.00 42.92 41.07 2ce8 s ASP 690 CO 0.34 -0.48 0.57 -1.59 0.70 0.00 0.00 175.17 174.70 2ce8 s LYS 691 N -4.16 1.41 0.06 2.11 -2.85 -0.45 -1.90 119.74 113.95 2ce8 s LYS 691 Ca 0.46 -0.79 0.03 0.00 -1.00 0.00 0.00 55.97 54.67 2ce8 s LYS 691 Cb -0.09 0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 36.20 2ce8 s LYS 691 CO 0.30 -0.61 0.00 0.71 0.10 0.00 0.00 175.35 175.86 2ce8 s TYR 692 N -3.85 3.03 -0.08 1.78 1.51 -0.22 0.85 117.35 120.37 2ce8 s TYR 692 Ca 0.07 0.02 0.03 0.00 -1.01 0.00 0.00 57.07 56.18 2ce8 s TYR 692 Cb -0.02 -1.59 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 2ce8 s TYR 692 CO -0.04 0.47 -0.18 -0.65 -1.11 0.00 0.00 175.55 174.04 2ce8 s GLN 693 N -2.03 2.32 -0.07 -0.62 -0.21 -0.00 -0.78 119.66 118.28 2ce8 s GLN 693 Ca 0.24 -0.65 0.03 0.00 0.02 0.00 0.00 55.36 54.99 2ce8 s GLN 693 Cb -0.12 -1.83 0.01 0.00 1.00 0.00 0.00 33.01 32.07 2ce8 s GLN 693 CO 0.15 0.13 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.80 2ce8 s LEU 694 N 0.42 1.77 -0.54 2.90 1.43 0.17 -1.04 118.68 123.80 2ce8 s LEU 694 Ca -0.15 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 2ce8 s LEU 694 Cb -0.16 -0.95 0.16 0.00 0.03 0.00 0.00 46.19 45.27 2ce8 s LEU 694 CO 0.06 0.08 0.37 -1.00 0.23 0.00 0.00 176.35 176.09 2ce8 s HIS 695 N 0.50 2.34 -0.02 0.29 3.76 -0.18 -2.23 115.29 119.75 2ce8 s HIS 695 Ca -0.14 -2.77 0.03 0.00 -0.15 0.00 0.00 55.06 52.04 2ce8 s HIS 695 Cb -0.15 -1.91 0.05 0.00 1.11 0.00 0.00 32.58 31.68 2ce8 s HIS 695 CO 0.04 -0.70 0.86 1.28 -0.85 0.00 0.00 174.74 175.38 2ce8 n LEU 696 N 2.69 0.87 -4.65 0.89 4.77 -1.26 -4.81 117.00 115.49 2ce8 n LEU 696 Ca 0.20 -1.27 -0.28 0.00 -0.03 0.00 0.00 56.01 54.63 2ce8 n LEU 696 Cb 0.39 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 2ce8 n LEU 696 CO 0.20 0.31 -0.35 -1.00 -1.33 0.00 0.00 177.39 175.22 2ce8 s HIS 697 N -0.74 2.85 -1.69 -1.77 3.76 -1.26 -5.01 115.29 111.43 2ce8 s HIS 697 Ca 0.06 -0.12 0.14 0.00 -0.15 0.00 0.00 55.06 54.99 2ce8 s HIS 697 Cb 0.05 -1.42 0.16 0.00 1.11 0.00 0.00 32.58 32.48 2ce8 s HIS 697 CO 0.01 0.49 1.01 0.39 -0.85 0.00 0.00 174.74 175.79 2ce8 n GLU 698 N 0.16 1.28 -3.77 1.40 1.02 -1.26 -4.85 120.64 114.61 2ce8 n GLU 698 Ca -0.11 -1.49 -0.11 0.00 -0.02 0.00 0.00 57.16 55.44 2ce8 n GLU 698 Cb 0.54 -1.28 0.01 0.00 -0.02 0.00 0.00 31.44 30.68 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 0.80 -1.93 -4.54 1.62 2.88 -1.26 -4.97 113.62 106.22 2ce8 n SER 699 Ca 0.09 -2.65 -0.47 0.00 -1.33 0.00 0.00 58.87 54.51 2ce8 n SER 699 Cb 0.38 3.31 -0.03 0.00 -0.75 0.00 0.00 64.21 67.12 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 -0.80 4.55 0.13 0.00 1.01 -0.78 -1.71 120.40 122.80 2ce8 s VAL 701 Ca 0.64 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.17 2ce8 s VAL 701 Cb -0.81 -4.55 -0.19 0.00 0.00 0.00 0.00 36.38 30.82 2ce8 s VAL 701 CO 0.57 -1.22 1.30 -0.07 0.00 0.00 0.00 175.10 175.68 2ce8 h LEU 702 N 10.67 0.24 -7.63 3.92 3.38 -1.00 -3.38 115.31 121.52 2ce8 h LEU 702 Ca -0.28 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 2ce8 h LEU 702 Cb 1.08 -0.08 -0.11 0.00 0.09 0.00 0.00 40.66 41.64 2ce8 h LEU 702 CO 1.11 1.09 -0.05 -0.94 0.09 0.00 0.00 178.44 179.74 2ce8 s SER 703 N -6.93 -0.21 -0.15 -0.43 1.04 -1.21 -4.45 113.70 101.35 2ce8 s SER 703 Ca -0.02 -0.47 -0.27 0.00 0.48 0.00 0.00 55.95 55.66 2ce8 s SER 703 Cb 0.09 0.52 0.07 0.00 0.10 0.00 0.00 66.02 66.80 2ce8 s SER 703 CO 0.84 -0.96 0.68 -0.22 0.98 0.00 0.00 173.24 174.56 2ce8 s LEU 704 N -2.86 -0.61 -0.23 2.42 0.20 -1.26 -0.84 118.68 115.49 2ce8 s LEU 704 Ca 0.08 1.03 -0.14 0.00 0.69 0.00 0.00 54.13 55.79 2ce8 s LEU 704 Cb 0.01 2.43 0.07 0.00 -0.43 0.00 0.00 46.19 48.26 2ce8 s LEU 704 CO -0.06 -0.43 0.58 -0.75 -0.29 0.00 0.00 176.35 175.40 2ce8 s LYS 705 N -0.45 0.59 0.27 1.98 2.47 0.03 -4.77 119.74 119.86 2ce8 s LYS 705 Ca -0.06 1.03 -0.29 0.00 -1.56 0.00 0.00 55.97 55.09 2ce8 s LYS 705 Cb -0.02 0.09 -0.09 0.00 -1.46 0.00 0.00 37.83 36.35 2ce8 s LYS 705 CO 0.06 -0.15 1.02 -0.06 0.16 0.00 0.00 175.35 176.38 2ce8 s PHE 706 N 1.44 3.73 0.56 4.03 0.40 -1.26 -0.31 117.98 126.58 2ce8 s PHE 706 Ca -0.09 1.79 -0.21 0.00 -0.60 0.00 0.00 56.93 57.82 2ce8 s PHE 706 Cb -0.06 -3.13 -0.04 0.00 0.51 0.00 0.00 43.02 40.29 2ce8 s PHE 706 CO -0.16 -0.10 1.31 0.00 0.70 0.00 0.00 175.22 176.98 2ce8 s ALA 707 N -1.22 2.71 0.39 5.36 0.00 -0.15 -4.84 121.76 124.01 2ce8 s ALA 707 Ca 0.44 1.24 0.19 0.00 0.00 0.00 0.00 51.96 53.83 2ce8 s ALA 707 Cb -0.28 -3.54 1.07 0.00 0.00 0.00 0.00 23.12 20.37 2ce8 s ALA 707 CO 0.36 -1.33 1.95 1.88 0.00 0.00 0.00 175.76 178.62 2ce8 h TYR 708 N 1.26 0.00 0.00 0.00 -1.99 -1.86 0.15 116.97 114.53 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 1.30 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.03 2ce8 h TYR 708 CO 0.46 0.23 0.00 0.00 -0.00 0.00 0.00 178.16 178.84 2ce8 n GLY 710 N 0.06 2.04 0.11 0.00 0.00 0.51 -4.76 105.19 103.15 2ce8 n GLY 710 Ca 0.04 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 0.26 -3.89 1.61 5.02 -1.26 -4.65 118.16 113.26 2ce8 n LYS 711 Ca 0.00 0.24 -0.09 0.00 -2.02 0.00 0.00 58.31 56.44 2ce8 n LYS 711 Cb 0.00 -1.82 -0.05 0.00 -0.02 0.00 0.00 35.03 33.13 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 -3.12 0.20 0.16 2.13 1.48 -1.26 -0.73 118.94 117.80 2ce8 s TRP 712 Ca 0.10 -0.56 -0.12 0.00 -1.06 0.00 0.00 56.10 54.46 2ce8 s TRP 712 Cb 0.12 0.17 0.01 0.00 -1.16 0.00 0.00 33.47 32.60 2ce8 s TRP 712 CO 0.58 -0.86 0.36 -0.59 -4.06 0.00 0.00 176.95 172.38 2ce8 s PHE 713 N -3.94 0.16 0.16 1.66 -0.12 -0.22 -0.98 117.98 114.70 2ce8 s PHE 713 Ca 0.15 -0.52 0.09 0.00 -0.05 0.00 0.00 56.93 56.61 2ce8 s PHE 713 Cb 0.01 0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.46 2ce8 s PHE 713 CO 0.01 -0.76 -0.15 0.14 -0.05 0.00 0.00 175.22 174.42 2ce8 s VAL 714 N -3.91 2.95 0.15 -2.49 -7.23 0.58 -0.42 120.40 110.02 2ce8 s VAL 714 Ca 0.12 -1.67 0.07 0.00 -1.81 0.00 0.00 61.98 58.68 2ce8 s VAL 714 Cb 0.02 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 2ce8 s VAL 714 CO -0.03 -0.05 -0.14 -0.94 -0.31 0.00 0.00 175.10 173.63 2ce8 s SER 715 N -2.59 2.22 0.07 4.85 1.04 -0.12 -0.79 113.70 118.37 2ce8 s SER 715 Ca 0.22 -0.91 0.05 0.00 0.48 0.00 0.00 55.95 55.79 2ce8 s SER 715 Cb -0.09 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 2ce8 s SER 715 CO 0.13 -0.17 -0.14 0.42 0.98 0.00 0.00 173.24 174.46 2ce8 s THR 716 N -2.55 1.11 0.10 2.02 -4.23 -0.02 -1.17 115.64 110.90 2ce8 s THR 716 Ca 0.15 -1.26 0.06 0.00 -1.18 0.00 0.00 61.69 59.46 2ce8 s THR 716 Cb -0.03 -1.06 -0.03 0.00 1.34 0.00 0.00 72.50 72.72 2ce8 s THR 716 CO 0.04 -0.19 -0.16 -0.83 -0.54 0.00 0.00 174.62 172.94 2ce8 s GLY 717 N -1.64 1.05 0.61 3.99 0.00 -0.39 -0.42 107.32 110.52 2ce8 s GLY 717 Ca -0.01 -1.18 0.29 0.00 0.00 0.00 0.00 44.72 43.82 2ce8 s GLY 717 CO 0.02 -1.21 1.95 1.70 0.00 0.00 0.00 173.10 175.56 2ce8 h LYS 718 N 3.94 0.00 0.00 2.90 3.64 -1.54 -1.10 116.57 124.40 2ce8 h LYS 718 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2ce8 h LYS 718 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2ce8 h LYS 718 CO 0.44 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.22 2ce8 n ASP 719 N -3.50 0.00 0.00 4.20 5.75 -1.26 -4.33 116.55 117.41 2ce8 n ASP 719 Ca 0.04 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.31 2ce8 n ASP 719 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 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 -0.66 0.00 -4.82 -1.12 5.03 -0.74 -4.95 115.26 107.99 2ce8 n ASN 720 Ca 0.07 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.14 2ce8 n ASN 720 Cb 0.03 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.73 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 4.49 -0.29 3.41 1.43 -1.26 -0.08 118.68 126.38 2ce8 s LEU 721 Ca 0.00 1.07 -0.09 0.00 -1.03 0.00 0.00 54.13 54.08 2ce8 s LEU 721 Cb 0.00 -2.70 -0.01 0.00 0.03 0.00 0.00 46.19 43.51 2ce8 s LEU 721 CO 0.00 0.30 0.12 -0.22 0.23 0.00 0.00 176.35 176.78 2ce8 s LEU 722 N -1.05 3.90 -0.11 1.79 2.96 0.21 -1.26 118.68 125.13 2ce8 s LEU 722 Ca 0.26 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 2ce8 s LEU 722 Cb -0.18 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 2ce8 s LEU 722 CO 0.15 -0.15 -0.12 0.20 -1.32 0.00 0.00 176.35 175.11 2ce8 s ASN 723 N 1.60 4.15 -0.10 3.68 0.02 -0.32 -0.25 114.94 123.73 2ce8 s ASN 723 Ca 0.05 -0.25 -0.01 0.00 -1.02 0.00 0.00 52.86 51.63 2ce8 s ASN 723 Cb -0.17 -1.41 -0.03 0.00 0.02 0.00 0.00 41.25 39.66 2ce8 s ASN 723 CO 0.05 0.22 -0.05 0.00 0.02 0.00 0.00 177.10 177.34 2ce8 s ALA 724 N 0.00 3.01 0.00 0.60 0.00 -0.36 -0.95 121.76 124.07 2ce8 s ALA 724 Ca -0.03 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.09 2ce8 s ALA 724 Cb -0.14 -1.36 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 2ce8 s ALA 724 CO 0.04 0.46 -0.07 -1.58 0.00 0.00 0.00 175.76 174.60 2ce8 s TRP 725 N -0.43 0.62 0.15 0.00 0.52 0.44 -0.78 118.94 119.46 2ce8 s TRP 725 Ca 0.07 -0.15 -0.30 0.00 0.02 0.00 0.00 56.10 55.74 2ce8 s TRP 725 Cb -0.12 -0.40 -0.07 0.00 -1.15 0.00 0.00 33.47 31.74 2ce8 s TRP 725 CO 0.02 -0.01 1.04 0.50 0.02 0.00 0.00 176.95 178.52 2ce8 s ARG 726 N -0.30 4.64 0.17 4.98 6.06 -0.05 -1.06 118.95 133.39 2ce8 s ARG 726 Ca 0.02 1.60 -0.30 0.00 -2.50 0.00 0.00 55.73 54.54 2ce8 s ARG 726 Cb -0.03 -3.32 -0.07 0.00 0.06 0.00 0.00 34.95 31.58 2ce8 s ARG 726 CO -0.00 0.13 0.95 0.99 -2.50 0.00 0.00 175.30 174.88 2ce8 s THR 727 N -0.11 4.30 -0.48 4.11 2.01 0.09 0.35 115.64 125.91 2ce8 s THR 727 Ca 0.48 2.07 0.23 0.00 0.31 0.00 0.00 61.69 64.78 2ce8 s THR 727 Cb -0.27 -4.32 -0.13 0.00 0.01 0.00 0.00 72.50 67.80 2ce8 s THR 727 CO 0.32 0.40 0.96 -0.81 -0.69 0.00 0.00 174.62 174.80 2ce8 n PRO 728 N 2.20 0.38 0.00 4.92 -0.04 -1.26 -4.82 135.00 136.38 2ce8 n PRO 728 Ca 0.00 -0.01 0.14 0.00 -0.04 0.00 0.00 63.50 63.59 2ce8 n PRO 728 Cb 0.48 -1.62 0.50 0.00 -0.04 0.00 0.00 33.50 32.83 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 -2.11 0.00 -2.84 0.54 0.18 -1.17 -4.83 117.16 106.92 2ce8 n TYR 729 Ca 0.01 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.70 2ce8 n TYR 729 Cb 0.47 -0.12 0.03 0.00 -0.38 0.00 0.00 39.34 39.34 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 1.28 0.38 3.77 -7.48 0.00 0.16 -4.76 105.19 98.53 2ce8 n GLY 730 Ca 0.14 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 2ce8 n GLY 730 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ce8 s ALA 731 N -3.06 3.49 -0.65 4.61 0.00 -1.26 -4.62 121.76 120.27 2ce8 s ALA 731 Ca 0.20 1.33 -0.28 0.00 0.00 0.00 0.00 51.96 53.21 2ce8 s ALA 731 Cb -0.09 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.55 2ce8 s ALA 731 CO 0.25 -0.75 1.24 0.45 0.00 0.00 0.00 175.76 176.94 2ce8 s SER 732 N -0.44 6.31 0.06 0.00 0.15 -1.26 -0.87 113.70 117.66 2ce8 s SER 732 Ca 0.51 -0.14 -0.16 0.00 0.70 0.00 0.00 55.95 56.86 2ce8 s SER 732 Cb -0.41 -2.56 -0.19 0.00 -1.71 0.00 0.00 66.02 61.16 2ce8 s SER 732 CO 0.55 -1.65 1.23 0.40 1.20 0.00 0.00 173.24 174.97 2ce8 h ILE 733 N 6.10 1.33 -2.98 6.45 2.04 -1.30 -3.48 117.51 125.67 2ce8 h ILE 733 Ca -0.26 -1.98 0.02 0.00 1.00 0.00 0.00 64.86 63.64 2ce8 h ILE 733 Cb 1.05 2.20 -0.09 0.00 -0.74 0.00 0.00 36.82 39.25 2ce8 h ILE 733 CO 1.23 0.61 0.23 0.72 0.00 0.00 0.00 178.15 180.93 2ce8 s PHE 734 N -3.58 -0.38 0.01 1.37 -0.12 -1.23 -4.92 117.98 109.13 2ce8 s PHE 734 Ca -0.11 0.06 0.02 0.00 -0.05 0.00 0.00 56.93 56.84 2ce8 s PHE 734 Cb 0.07 0.63 -0.01 0.00 -0.63 0.00 0.00 43.02 43.07 2ce8 s PHE 734 CO 0.87 -1.02 -0.06 -0.65 -0.05 0.00 0.00 175.22 174.31 2ce8 s GLN 735 N -3.81 0.48 -0.09 1.99 -0.21 -1.26 -1.22 119.66 115.55 2ce8 s GLN 735 Ca 0.06 -0.35 0.00 0.00 0.02 0.00 0.00 55.36 55.09 2ce8 s GLN 735 Cb -0.03 -0.42 0.02 0.00 1.00 0.00 0.00 33.01 33.58 2ce8 s GLN 735 CO -0.04 0.11 -0.07 0.45 -2.12 0.00 0.00 175.29 173.62 2ce8 s SER 736 N -0.50 1.84 -0.34 5.90 0.15 0.66 -5.00 113.70 116.41 2ce8 s SER 736 Ca -0.01 -0.24 -0.15 0.00 0.70 0.00 0.00 55.95 56.25 2ce8 s SER 736 Cb -0.04 -0.72 -0.01 0.00 -1.71 0.00 0.00 66.02 63.53 2ce8 s SER 736 CO -0.00 -0.09 0.34 -0.75 1.20 0.00 0.00 173.24 173.94 2ce8 s LYS 737 N 1.43 3.56 0.69 5.44 2.47 -1.26 -0.61 119.74 131.45 2ce8 s LYS 737 Ca -0.01 -0.44 0.00 0.00 -1.56 0.00 0.00 55.97 53.96 2ce8 s LYS 737 Cb -0.13 -3.80 0.11 0.00 -1.46 0.00 0.00 37.83 32.55 2ce8 s LYS 737 CO -0.04 -0.51 0.95 -1.21 0.16 0.00 0.00 175.35 174.70 2ce8 s GLU 738 N 1.98 1.85 0.47 4.03 2.02 0.88 -5.00 118.70 124.92 2ce8 s GLU 738 Ca 0.11 -1.12 0.26 0.00 0.02 0.00 0.00 54.97 54.24 2ce8 s GLU 738 Cb -0.17 -2.38 0.98 0.00 0.10 0.00 0.00 34.13 32.66 2ce8 s GLU 738 CO 0.11 -1.30 1.84 0.66 0.02 0.00 0.00 175.26 176.60 2ce8 h SER 739 N -0.38 0.00 -3.43 -0.19 4.64 -1.98 -3.47 113.55 108.74 2ce8 h SER 739 Ca -0.36 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.75 2ce8 h SER 739 Cb 1.27 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.32 2ce8 h SER 739 CO 0.42 0.15 -0.07 -0.24 -0.87 0.00 0.00 176.83 176.22 2ce8 n SER 740 N -3.28 -1.22 -4.63 4.97 2.88 -1.26 -4.98 113.62 106.10 2ce8 n SER 740 Ca 0.01 -2.52 -0.44 0.00 -1.33 0.00 0.00 58.87 54.58 2ce8 n SER 740 Cb 0.41 2.23 -0.02 0.00 -0.75 0.00 0.00 64.21 66.09 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 -1.67 1.85 -4.21 -3.46 2.88 -1.26 -4.11 113.62 103.64 2ce8 n SER 741 Ca -0.01 1.18 -0.37 0.00 -1.33 0.00 0.00 58.87 58.34 2ce8 n SER 741 Cb 0.48 -1.35 -0.12 0.00 -0.75 0.00 0.00 64.21 62.48 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 -0.86 3.58 -0.21 2.46 1.01 -0.49 -0.61 120.40 125.28 2ce8 s VAL 742 Ca 0.60 -1.51 0.21 0.00 0.00 0.00 0.00 61.98 61.29 2ce8 s VAL 742 Cb -0.68 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2ce8 s VAL 742 CO 0.59 -0.39 0.98 0.18 0.00 0.00 0.00 175.10 176.46 2ce8 n LEU 743 N 4.74 0.82 -3.56 3.92 4.32 -0.01 -3.58 117.00 123.65 2ce8 n LEU 743 Ca -0.09 0.32 -0.13 0.00 -0.02 0.00 0.00 56.01 56.09 2ce8 n LEU 743 Cb 0.43 -0.03 -0.05 0.00 -1.62 0.00 0.00 43.42 42.15 2ce8 n LEU 743 CO 0.33 -0.12 0.28 -0.94 -1.22 0.00 0.00 177.39 175.72 2ce8 s SER 744 N -5.41 -0.43 0.19 -1.43 1.04 -1.22 -4.45 113.70 101.99 2ce8 s SER 744 Ca -0.01 0.06 -0.18 0.00 0.48 0.00 0.00 55.95 56.30 2ce8 s SER 744 Cb 0.10 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.75 2ce8 s SER 744 CO 0.80 -0.79 0.53 0.00 0.98 0.00 0.00 173.24 174.76 2ce8 s ASP 746 N -2.86 -0.24 -0.05 0.00 2.15 -0.25 -4.71 116.67 110.71 2ce8 s ASP 746 Ca 0.08 -0.04 0.06 0.00 0.43 0.00 0.00 52.55 53.08 2ce8 s ASP 746 Cb -0.01 0.40 -0.01 0.00 -0.30 0.00 0.00 42.92 43.00 2ce8 s ASP 746 CO -0.04 -0.64 -0.24 -0.63 -0.17 0.00 0.00 175.17 173.45 2ce8 s ILE 747 N -2.43 1.97 0.63 4.11 1.01 -1.26 -0.60 121.20 124.62 2ce8 s ILE 747 Ca -0.06 -1.02 -0.17 0.00 0.00 0.00 0.00 60.65 59.40 2ce8 s ILE 747 Cb -0.01 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 2ce8 s ILE 747 CO -0.02 0.55 1.17 -0.94 0.00 0.00 0.00 174.94 175.70 2ce8 s SER 748 N -0.15 5.02 0.60 3.58 1.04 -0.84 -4.91 113.70 118.04 2ce8 s SER 748 Ca -0.03 2.26 0.30 0.00 0.48 0.00 0.00 55.95 58.96 2ce8 s SER 748 Cb -0.13 -2.58 1.81 0.00 0.10 0.00 0.00 66.02 65.22 2ce8 s SER 748 CO 0.03 -1.70 2.21 -0.37 0.98 0.00 0.00 173.24 174.40 2ce8 h VAL 749 N 0.47 0.47 -0.17 5.02 -1.51 -1.90 0.95 116.25 119.58 2ce8 h VAL 749 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 2ce8 h VAL 749 Cb 1.28 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.39 2ce8 h VAL 749 CO 0.54 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 175.98 2ce8 n ASP 750 N -3.77 1.60 -0.87 4.19 5.68 -1.26 -4.78 116.55 117.33 2ce8 n ASP 750 Ca -0.02 -1.71 -0.10 0.00 -0.50 0.00 0.00 54.79 52.47 2ce8 n ASP 750 Cb 0.16 -0.11 -0.04 0.00 -1.14 0.00 0.00 41.12 39.99 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 0.28 -4.45 0.10 -1.12 8.00 0.33 -4.86 116.55 114.83 2ce8 n ASP 751 Ca 0.16 0.24 0.01 0.00 0.71 0.00 0.00 54.79 55.91 2ce8 n ASP 751 Cb 0.32 -3.47 -0.02 0.00 -0.02 0.00 0.00 41.12 37.93 2ce8 n ASP 751 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2ce8 h LYS 752 N 0.00 0.00 -4.70 -1.24 1.57 -1.91 -3.44 116.57 106.84 2ce8 h LYS 752 Ca -0.20 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.26 2ce8 h LYS 752 Cb 0.95 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.03 2ce8 h LYS 752 CO 0.29 0.50 -0.75 0.71 -0.57 0.00 0.00 179.45 179.63 2ce8 s TYR 753 N -2.92 0.76 -0.06 -1.35 1.51 -1.26 -0.65 117.35 113.38 2ce8 s TYR 753 Ca 0.02 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 55.75 2ce8 s TYR 753 Cb 0.08 -0.46 -0.01 0.00 -0.11 0.00 0.00 41.96 41.47 2ce8 s TYR 753 CO 0.77 -0.04 -0.24 0.42 -1.11 0.00 0.00 175.55 175.36 2ce8 s ILE 754 N -1.02 1.96 -0.10 2.71 1.01 -0.37 -1.98 121.20 123.40 2ce8 s ILE 754 Ca -0.05 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.63 2ce8 s ILE 754 Cb -0.08 -1.67 -0.00 0.00 0.01 0.00 0.00 42.46 40.72 2ce8 s ILE 754 CO 0.01 0.54 -0.21 -0.69 0.00 0.00 0.00 174.94 174.59 2ce8 s VAL 755 N -0.05 2.29 0.11 2.92 1.01 0.23 -0.13 120.40 126.78 2ce8 s VAL 755 Ca -0.06 -0.94 0.10 0.00 0.00 0.00 0.00 61.98 61.08 2ce8 s VAL 755 Cb -0.14 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2ce8 s VAL 755 CO 0.04 0.55 -0.26 0.42 0.00 0.00 0.00 175.10 175.85 2ce8 s THR 756 N 0.31 2.17 -0.04 3.92 -4.23 -0.72 -1.08 115.64 115.97 2ce8 s THR 756 Ca -0.16 -1.64 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 2ce8 s THR 756 Cb -0.17 -1.91 -0.03 0.00 1.34 0.00 0.00 72.50 71.73 2ce8 s THR 756 CO 0.08 0.15 -0.04 -0.83 -0.54 0.00 0.00 174.62 173.43 2ce8 s GLY 757 N -1.83 1.77 0.12 3.99 0.00 0.08 -1.14 107.32 110.31 2ce8 s GLY 757 Ca 0.13 -0.92 0.09 0.00 0.00 0.00 0.00 44.72 44.02 2ce8 s GLY 757 CO 0.05 -0.73 -0.23 -0.45 0.00 0.00 0.00 173.10 171.73 2ce8 s SER 758 N -1.11 2.87 0.08 1.64 0.15 0.01 -0.83 113.70 116.51 2ce8 s SER 758 Ca 0.15 -0.73 0.19 0.00 0.70 0.00 0.00 55.95 56.26 2ce8 s SER 758 Cb -0.11 -0.17 0.79 0.00 -1.71 0.00 0.00 66.02 64.81 2ce8 s SER 758 CO 0.05 0.10 1.59 0.61 1.20 0.00 0.00 173.24 176.79 2ce8 n GLY 759 N 0.94 -1.16 0.86 9.45 0.00 0.22 -2.37 105.19 113.13 2ce8 n GLY 759 Ca -0.18 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 45.85 2ce8 n GLY 759 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ce8 n ASP 760 N -1.72 2.34 -2.38 1.61 8.00 -1.26 -4.81 116.55 118.33 2ce8 n ASP 760 Ca 0.04 -2.24 -0.13 0.00 0.71 0.00 0.00 54.79 53.17 2ce8 n ASP 760 Cb 0.22 -0.46 0.05 0.00 -0.02 0.00 0.00 41.12 40.91 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 0.24 -4.43 -3.88 -1.24 5.02 -1.01 -4.95 118.16 107.91 2ce8 n LYS 761 Ca 0.10 0.50 -0.09 0.00 -2.02 0.00 0.00 58.31 56.80 2ce8 n LYS 761 Cb 0.49 -4.50 -0.04 0.00 -0.02 0.00 0.00 35.03 30.95 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 -5.40 1.55 0.22 1.97 -2.85 -1.25 -1.35 119.74 112.63 2ce8 s LYS 762 Ca 0.21 -1.06 0.11 0.00 -1.00 0.00 0.00 55.97 54.23 2ce8 s LYS 762 Cb -0.09 0.52 -0.05 0.00 -2.06 0.00 0.00 37.83 36.15 2ce8 s LYS 762 CO 0.43 -0.67 -0.21 0.00 0.10 0.00 0.00 175.35 175.01 2ce8 s ALA 763 N -3.95 2.47 -0.06 0.59 0.00 -0.44 -0.81 121.76 119.56 2ce8 s ALA 763 Ca 0.15 -1.69 0.06 0.00 0.00 0.00 0.00 51.96 50.47 2ce8 s ALA 763 Cb -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 2ce8 s ALA 763 CO 0.05 0.32 -0.24 0.99 0.00 0.00 0.00 175.76 176.87 2ce8 s THR 764 N -2.12 2.14 -0.21 0.00 2.01 -0.29 -0.17 115.64 117.00 2ce8 s THR 764 Ca 0.23 -1.03 -0.07 0.00 0.31 0.00 0.00 61.69 61.12 2ce8 s THR 764 Cb -0.06 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 2ce8 s THR 764 CO 0.11 0.57 0.07 -0.69 -0.69 0.00 0.00 174.62 173.98 2ce8 s VAL 765 N -0.15 4.59 -0.11 3.82 1.01 0.22 -1.75 120.40 128.03 2ce8 s VAL 765 Ca -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 2ce8 s VAL 765 Cb -0.14 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 2ce8 s VAL 765 CO 0.04 0.41 -0.07 -0.31 0.00 0.00 0.00 175.10 175.16 2ce8 s TYR 766 N 0.87 2.93 -0.18 5.22 1.51 0.81 -0.42 117.35 128.09 2ce8 s TYR 766 Ca 0.04 -0.23 -0.20 0.00 -1.01 0.00 0.00 57.07 55.68 2ce8 s TYR 766 Cb -0.14 -1.82 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 2ce8 s TYR 766 CO 0.02 0.09 0.57 -2.00 -1.11 0.00 0.00 175.55 173.13 2ce8 s GLU 767 N -0.17 4.23 -0.27 -0.62 2.12 0.96 -1.24 118.70 123.72 2ce8 s GLU 767 Ca 0.02 0.52 -0.29 0.00 0.36 0.00 0.00 54.97 55.58 2ce8 s GLU 767 Cb -0.13 -3.55 0.01 0.00 0.26 0.00 0.00 34.13 30.72 2ce8 s GLU 767 CO 0.03 -0.14 1.13 0.08 -0.54 0.00 0.00 175.26 175.82 2ce8 s VAL 768 N 1.58 4.47 -0.26 3.70 1.01 0.17 -0.82 120.40 130.25 2ce8 s VAL 768 Ca 0.27 1.73 -0.15 0.00 0.00 0.00 0.00 61.98 63.83 2ce8 s VAL 768 Cb -0.16 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2ce8 s VAL 768 CO 0.10 -0.34 0.36 -0.63 0.00 0.00 0.00 175.10 174.60 2ce8 s ILE 769 N 3.60 5.19 -2.86 2.22 -1.09 0.14 -4.91 121.20 123.49 2ce8 s ILE 769 Ca 0.48 0.56 0.25 0.00 -2.23 0.00 0.00 60.65 59.71 2ce8 s ILE 769 Cb -0.15 -3.69 0.29 0.00 -1.58 0.00 0.00 42.46 37.33 2ce8 s ILE 769 CO 0.14 0.18 1.39 -1.22 -1.23 0.00 0.00 174.94 174.20