#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ce8 n TYR 435 N 0.00 0.00 -4.30 1.24 9.36 -1.26 -4.81 117.16 117.39 2ce8 n TYR 435 Ca 0.00 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.90 2ce8 n TYR 435 Cb 0.00 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 38.62 2ce8 n TYR 435 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 2ce8 s PHE 436 N 0.00 3.05 0.08 2.98 0.40 -1.26 -5.15 117.98 118.08 2ce8 s PHE 436 Ca 0.00 0.07 0.10 0.00 -0.60 0.00 0.00 56.93 56.49 2ce8 s PHE 436 Cb 0.00 -1.66 -0.03 0.00 0.51 0.00 0.00 43.02 41.84 2ce8 s PHE 436 CO 0.00 0.45 -0.26 -0.65 0.70 0.00 0.00 175.22 175.46 2ce8 s GLN 437 N -1.55 1.58 0.64 0.44 -0.21 -1.26 -5.12 119.66 114.18 2ce8 s GLN 437 Ca 0.19 -1.19 -0.17 0.00 0.02 0.00 0.00 55.36 54.21 2ce8 s GLN 437 Cb -0.11 -1.88 -0.04 0.00 1.00 0.00 0.00 33.01 31.98 2ce8 s GLN 437 CO 0.10 0.47 0.88 0.41 -2.12 0.00 0.00 175.29 175.03 2ce8 n GLY 438 N 1.42 -0.57 3.28 3.09 0.00 -1.26 -5.04 105.19 106.11 2ce8 n GLY 438 Ca -0.17 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 2ce8 n GLY 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ce8 s ALA 439 N -1.63 -1.13 0.14 4.61 0.00 -1.26 -5.15 121.76 117.34 2ce8 s ALA 439 Ca 0.74 1.54 -0.27 0.00 0.00 0.00 0.00 51.96 53.97 2ce8 s ALA 439 Cb -0.40 -1.15 -0.07 0.00 0.00 0.00 0.00 23.12 21.51 2ce8 s ALA 439 CO 0.49 -0.52 0.85 1.41 0.00 0.00 0.00 175.76 177.99 2ce8 s MET 440 N 2.03 4.64 0.52 0.00 1.75 -1.26 -5.06 119.30 121.92 2ce8 s MET 440 Ca -0.06 1.28 0.01 0.00 -1.25 0.00 0.00 55.69 55.67 2ce8 s MET 440 Cb -0.10 -3.32 0.01 0.00 2.84 0.00 0.00 34.83 34.26 2ce8 s MET 440 CO -0.13 0.40 0.06 0.41 -0.65 0.00 0.00 175.02 175.11 2ce8 n GLY 441 N 1.93 3.44 3.38 2.11 0.00 -1.26 -5.18 105.19 109.61 2ce8 n GLY 441 Ca -0.02 -2.36 -0.10 0.00 0.00 0.00 0.00 46.02 43.53 2ce8 n GLY 441 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ce8 s SER 442 N -3.88 -0.25 0.10 1.61 1.04 -1.26 -5.18 113.70 105.88 2ce8 s SER 442 Ca 0.05 -0.36 -0.08 0.00 0.48 0.00 0.00 55.95 56.03 2ce8 s SER 442 Cb -0.00 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 2ce8 s SER 442 CO 0.03 -0.92 0.19 -0.54 0.98 0.00 0.00 173.24 172.98 2ce8 s LYS 443 N -3.83 0.88 0.38 4.02 1.02 -1.26 -5.13 119.74 115.82 2ce8 s LYS 443 Ca 0.05 -1.01 -0.26 0.00 0.02 0.00 0.00 55.97 54.76 2ce8 s LYS 443 Cb 0.01 0.34 -0.11 0.00 -0.52 0.00 0.00 37.83 37.54 2ce8 s LYS 443 CO -0.09 -0.28 1.14 -2.30 -0.92 0.00 0.00 175.35 172.90 2ce8 n PRO 444 N -0.08 1.69 -1.59 -1.68 -0.02 -1.26 -4.80 135.00 127.26 2ce8 n PRO 444 Ca -0.14 0.60 -0.54 0.00 -2.02 0.00 0.00 63.50 61.40 2ce8 n PRO 444 Cb 0.62 -2.16 -0.07 0.00 -0.02 0.00 0.00 33.50 31.88 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 -0.08 -1.36 0.00 3.55 0.00 -1.26 -4.86 120.51 116.50 2ce8 n ALA 445 Ca 0.07 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2ce8 n ALA 445 Cb 0.37 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 2.67 0.00 -4.64 0.00 0.18 -1.26 -5.02 117.16 109.09 2ce8 n TYR 446 Ca 0.20 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.65 2ce8 n TYR 446 Cb 0.16 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 38.96 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 -1.20 3.21 0.00 9.48 0.15 -1.26 -0.45 113.70 123.63 2ce8 s SER 447 Ca 0.00 -0.58 0.04 0.00 0.70 0.00 0.00 55.95 56.11 2ce8 s SER 447 Cb 0.00 -1.47 -0.01 0.00 -1.71 0.00 0.00 66.02 62.83 2ce8 s SER 447 CO 0.00 0.08 -0.12 -0.36 1.20 0.00 0.00 173.24 174.04 2ce8 s PHE 448 N 0.82 1.06 -0.19 3.44 0.40 -0.21 -1.52 117.98 121.78 2ce8 s PHE 448 Ca -0.07 -0.24 -0.13 0.00 -0.60 0.00 0.00 56.93 55.90 2ce8 s PHE 448 Cb -0.15 -0.67 -0.05 0.00 0.51 0.00 0.00 43.02 42.66 2ce8 s PHE 448 CO -0.02 -0.01 0.24 -1.58 0.70 0.00 0.00 175.22 174.56 2ce8 s HIS 449 N -0.43 3.41 -0.27 0.36 2.46 0.10 -0.63 115.29 120.29 2ce8 s HIS 449 Ca 0.03 0.47 -0.05 0.00 0.47 0.00 0.00 55.06 55.98 2ce8 s HIS 449 Cb -0.05 -2.31 0.01 0.00 -0.13 0.00 0.00 32.58 30.10 2ce8 s HIS 449 CO -0.00 0.19 0.03 0.08 -2.47 0.00 0.00 174.74 172.57 2ce8 s VAL 450 N 0.64 3.58 0.78 0.89 1.01 0.11 -1.09 120.40 126.33 2ce8 s VAL 450 Ca 0.13 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 2ce8 s VAL 450 Cb -0.13 -2.82 0.11 0.00 0.00 0.00 0.00 36.38 33.55 2ce8 s VAL 450 CO 0.03 0.15 1.09 0.42 0.00 0.00 0.00 175.10 176.79 2ce8 s THR 451 N 1.44 2.17 0.27 3.92 -4.23 -0.59 -1.78 115.64 116.84 2ce8 s THR 451 Ca 0.02 -0.26 -0.05 0.00 -1.18 0.00 0.00 61.69 60.21 2ce8 s THR 451 Cb -0.17 -2.90 0.37 0.00 1.34 0.00 0.00 72.50 71.14 2ce8 s THR 451 CO -0.00 0.00 1.59 0.00 -0.54 0.00 0.00 174.62 175.67 2ce8 h ALA 452 N -0.86 0.82 -3.00 3.99 0.00 -1.91 -3.39 119.26 114.90 2ce8 h ALA 452 Ca -0.43 0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2ce8 h ALA 452 Cb 1.29 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2ce8 h ALA 452 CO 0.50 -0.45 0.00 -0.40 0.00 0.00 0.00 179.25 178.90 2ce8 n ASP 453 N -5.49 -0.70 -0.14 0.00 5.68 -1.26 -4.91 116.55 109.74 2ce8 n ASP 453 Ca 0.17 -0.44 0.00 0.00 -0.50 0.00 0.00 54.79 54.02 2ce8 n ASP 453 Cb 0.55 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 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 2.78 -0.31 3.74 6.12 0.00 -1.26 -4.94 105.19 111.32 2ce8 n GLY 454 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.73 4.74 -0.20 1.61 2.00 -1.26 -4.89 119.66 119.93 2ce8 s GLN 455 Ca 0.00 1.42 -0.02 0.00 -2.00 0.00 0.00 55.36 54.76 2ce8 s GLN 455 Cb 0.00 -3.33 0.06 0.00 0.80 0.00 0.00 33.01 30.54 2ce8 s GLN 455 CO 0.00 0.37 0.02 1.41 -0.50 0.00 0.00 175.29 176.59 2ce8 s MET 456 N -0.56 0.84 -0.09 1.67 1.75 -1.26 -1.54 119.30 120.11 2ce8 s MET 456 Ca 0.43 -0.53 0.04 0.00 -1.25 0.00 0.00 55.69 54.38 2ce8 s MET 456 Cb -0.24 -2.21 -0.01 0.00 2.84 0.00 0.00 34.83 35.21 2ce8 s MET 456 CO 0.30 -0.63 -0.22 -1.14 -0.65 0.00 0.00 175.02 172.67 2ce8 s GLN 457 N 1.77 2.95 0.21 4.11 2.00 -0.25 -4.92 119.66 125.53 2ce8 s GLN 457 Ca -0.02 -0.85 -0.32 0.00 -2.00 0.00 0.00 55.36 52.17 2ce8 s GLN 457 Cb -0.17 -2.32 -0.13 0.00 0.80 0.00 0.00 33.01 31.19 2ce8 s GLN 457 CO -0.08 0.26 1.56 -0.35 -0.50 0.00 0.00 175.29 176.18 2ce8 n PRO 458 N 3.32 2.31 -2.19 1.67 -0.04 -1.26 0.03 135.00 138.84 2ce8 n PRO 458 Ca -0.18 0.83 -0.42 0.00 -0.04 0.00 0.00 63.50 63.68 2ce8 n PRO 458 Cb 0.53 -2.58 -0.03 0.00 -0.04 0.00 0.00 33.50 31.38 2ce8 n PRO 458 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ce8 s VAL 459 N 0.52 3.66 -0.28 0.52 1.01 -0.57 -4.81 120.40 120.44 2ce8 s VAL 459 Ca 0.73 1.02 -0.25 0.00 0.00 0.00 0.00 61.98 63.48 2ce8 s VAL 459 Cb -0.61 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2ce8 s VAL 459 CO 0.42 -0.01 0.88 -2.16 0.00 0.00 0.00 175.10 174.23 2ce8 s PRO 460 N 2.58 4.08 0.12 2.72 0.04 -1.26 -5.01 135.00 138.28 2ce8 s PRO 460 Ca 0.65 0.87 -0.30 0.00 0.04 0.00 0.00 61.00 62.25 2ce8 s PRO 460 Cb -0.32 -3.70 -0.07 0.00 0.04 0.00 0.00 34.50 30.46 2ce8 s PRO 460 CO 0.27 -0.67 1.20 -0.06 0.04 0.00 0.00 177.00 177.78 2ce8 s PHE 461 N 3.08 3.44 0.96 0.56 2.99 -1.26 -5.04 117.98 122.72 2ce8 s PHE 461 Ca 0.37 1.35 -0.12 0.00 0.00 0.00 0.00 56.93 58.53 2ce8 s PHE 461 Cb -0.14 -3.43 0.17 0.00 0.00 0.00 0.00 43.02 39.62 2ce8 s PHE 461 CO 0.11 -1.26 1.09 -2.14 -0.00 0.00 0.00 175.22 173.02 2ce8 s PRO 462 N 0.42 0.71 0.55 0.24 0.02 -1.26 -4.91 135.00 130.77 2ce8 s PRO 462 Ca 0.56 0.84 0.25 0.00 0.02 0.00 0.00 61.00 62.67 2ce8 s PRO 462 Cb -0.31 -1.74 1.47 0.00 0.02 0.00 0.00 34.50 33.94 2ce8 s PRO 462 CO 0.33 -2.62 2.04 -1.35 -0.33 0.00 0.00 177.00 175.07 2ce8 h PRO 463 N -1.83 0.00 -0.76 5.54 0.11 -1.97 -2.05 132.00 131.05 2ce8 h PRO 463 Ca -0.52 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.30 2ce8 h PRO 463 Cb 1.30 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.23 2ce8 h PRO 463 CO 0.53 0.00 0.34 -0.40 -0.21 0.00 0.00 178.00 178.26 2ce8 n ASP 464 N -4.15 4.23 -0.18 -2.05 5.75 -1.26 -4.55 116.55 114.34 2ce8 n ASP 464 Ca 0.05 -3.39 -0.10 0.00 -0.01 0.00 0.00 54.79 51.33 2ce8 n ASP 464 Cb 0.44 -0.75 0.01 0.00 -1.03 0.00 0.00 41.12 39.79 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 1.95 0.71 -0.00 2.12 0.00 -1.72 -3.37 119.26 118.95 2ce8 h ALA 465 Ca 0.36 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ce8 h ALA 465 Cb 2.40 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 20.00 2ce8 h ALA 465 CO 0.79 0.61 -0.00 1.28 0.00 0.00 0.00 179.25 181.94 2ce8 n LEU 466 N -4.19 0.92 -3.63 0.00 4.77 -1.26 -4.69 117.00 108.92 2ce8 n LEU 466 Ca 0.01 -0.95 -0.12 0.00 -0.03 0.00 0.00 56.01 54.92 2ce8 n LEU 466 Cb 0.39 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.41 2ce8 n LEU 466 CO 0.45 0.23 0.43 -0.51 -1.33 0.00 0.00 177.39 176.66 2ce8 s ILE 467 N -0.12 0.00 0.00 -0.08 -1.16 -1.26 -4.95 121.20 113.63 2ce8 s ILE 467 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 2ce8 s ILE 467 Cb 0.00 -1.00 0.00 0.00 0.61 0.00 0.00 42.46 42.07 2ce8 s ILE 467 CO 0.00 0.00 0.00 0.61 -2.81 0.00 0.00 174.94 172.74 2ce8 n GLY 468 N 3.10 1.87 3.66 1.50 0.00 -1.26 -4.34 105.19 109.72 2ce8 n GLY 468 Ca -0.16 -1.23 -0.46 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.16 1.99 -0.95 1.61 -0.02 -1.26 -1.41 135.00 133.80 2ce8 n PRO 469 Ca 0.00 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2ce8 n PRO 469 Cb 0.00 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 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 2.98 0.46 3.55 -1.23 0.00 -1.26 -4.99 105.19 104.70 2ce8 n GLY 470 Ca 0.16 0.00 -0.37 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 -2.13 4.82 0.62 -0.61 -1.09 -0.50 -4.89 121.20 117.42 2ce8 s ILE 471 Ca 0.00 -0.00 -0.19 0.00 -2.23 0.00 0.00 60.65 58.23 2ce8 s ILE 471 Cb 0.00 -3.25 -0.02 0.00 -1.58 0.00 0.00 42.46 37.61 2ce8 s ILE 471 CO 0.00 0.34 1.27 -2.65 -1.23 0.00 0.00 174.94 172.67 2ce8 n PRO 472 N 4.62 1.21 -0.04 2.79 -0.02 -1.26 -4.58 135.00 137.71 2ce8 n PRO 472 Ca -0.15 0.47 -0.18 0.00 -2.02 0.00 0.00 63.50 61.61 2ce8 n PRO 472 Cb 0.52 -2.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.36 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 -1.63 0.71 -3.82 -0.52 1.74 0.40 -4.89 116.66 108.65 2ce8 n ARG 473 Ca 0.15 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 2ce8 n ARG 473 Cb 0.47 -1.66 0.01 0.00 -1.02 0.00 0.00 32.46 30.25 2ce8 n ARG 473 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2ce8 s HIS 474 N -2.55 -0.00 -0.02 -1.55 -3.43 -1.11 -4.91 115.29 101.72 2ce8 s HIS 474 Ca -0.22 -0.21 0.03 0.00 -0.80 0.00 0.00 55.06 53.87 2ce8 s HIS 474 Cb 0.07 0.60 -0.00 0.00 -1.43 0.00 0.00 32.58 31.82 2ce8 s HIS 474 CO 0.74 -0.50 -0.12 0.00 -2.00 0.00 0.00 174.74 172.87 2ce8 s ALA 475 N -2.33 1.02 -0.13 -1.38 0.00 -1.26 -0.06 121.76 117.62 2ce8 s ALA 475 Ca 0.21 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.71 2ce8 s ALA 475 Cb 0.01 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.83 2ce8 s ALA 475 CO 0.00 0.21 -0.19 0.50 0.00 0.00 0.00 175.76 176.28 2ce8 s ARG 476 N -0.07 2.68 0.12 0.00 3.52 -0.31 -4.94 118.95 119.96 2ce8 s ARG 476 Ca 0.01 -0.73 -0.31 0.00 -0.13 0.00 0.00 55.73 54.57 2ce8 s ARG 476 Cb -0.07 -2.23 -0.07 0.00 -1.56 0.00 0.00 34.95 31.02 2ce8 s ARG 476 CO 0.00 -0.06 1.31 -1.14 -0.81 0.00 0.00 175.30 174.60 2ce8 s GLN 477 N 0.95 4.38 0.00 5.12 0.74 -1.26 -0.00 119.66 129.59 2ce8 s GLN 477 Ca -0.05 1.97 0.00 0.00 0.05 0.00 0.00 55.36 57.33 2ce8 s GLN 477 Cb -0.15 -3.27 0.00 0.00 1.10 0.00 0.00 33.01 30.69 2ce8 s GLN 477 CO -0.03 -0.33 0.00 0.44 -0.55 0.00 0.00 175.29 174.82 2ce8 n ILE 478 N 3.63 0.00 -3.80 -2.34 -5.35 0.53 -4.90 119.36 107.12 2ce8 n ILE 478 Ca 0.09 -0.01 -0.10 0.00 -0.27 0.00 0.00 62.75 62.46 2ce8 n ILE 478 Cb 0.44 0.37 -0.07 0.00 -1.74 0.00 0.00 39.64 38.64 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 -1.38 -0.01 -0.07 7.28 0.01 -1.11 -4.99 114.94 114.68 2ce8 s ASN 479 Ca 0.00 -0.42 0.03 0.00 -0.71 0.00 0.00 52.86 51.76 2ce8 s ASN 479 Cb 0.00 0.35 0.01 0.00 0.41 0.00 0.00 41.25 42.02 2ce8 s ASN 479 CO 0.00 -0.67 -0.13 -0.89 -1.51 0.00 0.00 177.10 173.90 2ce8 s THR 480 N -3.17 1.21 -0.36 1.60 2.01 -1.26 -0.83 115.64 114.84 2ce8 s THR 480 Ca -0.00 -0.53 -0.03 0.00 0.31 0.00 0.00 61.69 61.43 2ce8 s THR 480 Cb 0.02 -1.10 0.08 0.00 0.01 0.00 0.00 72.50 71.51 2ce8 s THR 480 CO -0.07 0.37 0.12 -0.76 -0.69 0.00 0.00 174.62 173.58 2ce8 s LEU 481 N 0.59 4.61 -1.37 4.42 1.43 0.72 -4.96 118.68 124.12 2ce8 s LEU 481 Ca -0.14 -1.60 -0.13 0.00 -1.03 0.00 0.00 54.13 51.23 2ce8 s LEU 481 Cb -0.16 -1.80 0.09 0.00 0.03 0.00 0.00 46.19 44.36 2ce8 s LEU 481 CO 0.04 -0.41 2.01 0.59 0.23 0.00 0.00 176.35 178.81 2ce8 n ASN 482 N 4.65 4.48 -0.19 2.29 5.03 -1.26 -1.21 115.26 129.04 2ce8 n ASN 482 Ca -0.08 -2.95 -0.02 0.00 0.87 0.00 0.00 54.58 52.41 2ce8 n ASN 482 Cb 0.43 -1.61 0.09 0.00 -1.02 0.00 0.00 39.78 37.67 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 6.18 0.45 0.00 3.10 2.76 -1.90 -3.47 115.15 122.26 2ce8 h HIS 483 Ca 0.48 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.68 2ce8 h HIS 483 Cb 0.68 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.53 2ce8 h HIS 483 CO 1.36 0.16 0.00 0.41 -1.30 0.00 0.00 177.93 178.57 2ce8 n GLY 484 N -1.28 0.82 3.22 5.26 0.00 0.19 -5.02 105.19 108.38 2ce8 n GLY 484 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.56 0.97 0.08 1.61 0.41 -1.25 -4.96 118.70 114.99 2ce8 s GLU 485 Ca 0.00 -1.25 -0.35 0.00 -0.41 0.00 0.00 54.97 52.96 2ce8 s GLU 485 Cb 0.00 -0.71 -0.14 0.00 -1.78 0.00 0.00 34.13 31.50 2ce8 s GLU 485 CO 0.00 0.12 1.61 0.28 -0.49 0.00 0.00 175.26 176.78 2ce8 n VAL 486 N 0.39 0.13 -2.94 2.63 0.31 -1.26 -4.04 118.33 113.55 2ce8 n VAL 486 Ca -0.15 -0.02 -0.44 0.00 -0.01 0.00 0.00 64.34 63.72 2ce8 n VAL 486 Cb 0.58 -1.48 -0.04 0.00 -0.91 0.00 0.00 33.84 32.00 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 1.60 4.54 -0.78 2.52 1.01 -0.97 -4.34 120.40 123.97 2ce8 s VAL 487 Ca 0.83 -0.78 0.25 0.00 0.00 0.00 0.00 61.98 62.29 2ce8 s VAL 487 Cb -0.74 -4.65 0.08 0.00 0.00 0.00 0.00 36.38 31.06 2ce8 s VAL 487 CO 0.43 -1.38 1.45 0.00 0.00 0.00 0.00 175.10 175.60 2ce8 s ALA 489 N -3.10 -0.68 -0.04 0.00 0.00 -1.22 -4.62 121.76 112.11 2ce8 s ALA 489 Ca 0.09 0.60 -0.06 0.00 0.00 0.00 0.00 51.96 52.59 2ce8 s ALA 489 Cb 0.15 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.99 2ce8 s ALA 489 CO 0.68 -0.17 0.15 0.14 0.00 0.00 0.00 175.76 176.57 2ce8 s VAL 490 N -0.31 0.03 0.03 0.00 -7.23 -1.26 -0.49 120.40 111.17 2ce8 s VAL 490 Ca -0.04 -0.22 -0.11 0.00 -1.81 0.00 0.00 61.98 59.80 2ce8 s VAL 490 Cb -0.03 -0.29 0.01 0.00 0.56 0.00 0.00 36.38 36.63 2ce8 s VAL 490 CO 0.01 -0.12 0.24 -0.89 -0.31 0.00 0.00 175.10 174.03 2ce8 s THR 491 N -0.38 0.09 -0.01 5.32 2.01 -0.48 -4.48 115.64 117.72 2ce8 s THR 491 Ca -0.05 -0.77 0.06 0.00 0.31 0.00 0.00 61.69 61.25 2ce8 s THR 491 Cb -0.03 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.59 2ce8 s THR 491 CO 0.01 -0.42 -0.20 -0.51 -0.69 0.00 0.00 174.62 172.80 2ce8 s ILE 492 N -2.36 2.56 0.83 1.82 2.07 -1.26 -0.30 121.20 124.56 2ce8 s ILE 492 Ca -0.07 -1.02 -0.11 0.00 -1.41 0.00 0.00 60.65 58.04 2ce8 s ILE 492 Cb -0.02 -1.99 0.09 0.00 0.13 0.00 0.00 42.46 40.67 2ce8 s ILE 492 CO -0.02 0.51 1.09 -0.94 -1.91 0.00 0.00 174.94 173.67 2ce8 s SER 493 N -0.89 4.10 -0.18 4.50 1.04 0.19 -4.94 113.70 117.51 2ce8 s SER 493 Ca 0.12 1.58 0.01 0.00 0.48 0.00 0.00 55.95 58.13 2ce8 s SER 493 Cb -0.10 -2.29 0.03 0.00 0.10 0.00 0.00 66.02 63.76 2ce8 s SER 493 CO 0.01 -2.26 -0.16 0.21 0.98 0.00 0.00 173.24 172.03 2ce8 s ASN 494 N -3.51 3.17 0.80 7.02 2.47 -1.26 -2.67 114.94 120.95 2ce8 s ASN 494 Ca 0.62 -0.71 -0.12 0.00 0.42 0.00 0.00 52.86 53.06 2ce8 s ASN 494 Cb -0.17 -1.35 0.08 0.00 -1.45 0.00 0.00 41.25 38.36 2ce8 s ASN 494 CO 0.56 -0.06 1.15 -2.16 -3.72 0.00 0.00 177.10 172.87 2ce8 s PRO 495 N 1.35 1.84 -0.22 0.43 0.04 -1.26 -4.79 135.00 132.39 2ce8 s PRO 495 Ca 0.03 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 2ce8 s PRO 495 Cb -0.14 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2ce8 s PRO 495 CO -0.11 -2.01 1.67 0.95 0.04 0.00 0.00 177.00 177.54 2ce8 s THR 496 N -2.44 3.62 0.00 1.26 -4.23 -1.09 -4.48 115.64 108.27 2ce8 s THR 496 Ca 0.68 0.69 0.00 0.00 -1.18 0.00 0.00 61.69 61.88 2ce8 s THR 496 Cb -0.23 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 69.96 2ce8 s THR 496 CO 0.51 -0.29 0.00 -2.11 -0.54 0.00 0.00 174.62 172.20 2ce8 n ARG 497 N 7.78 0.32 -4.62 3.99 1.85 -1.26 -4.92 116.66 119.81 2ce8 n ARG 497 Ca 0.20 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.75 2ce8 n ARG 497 Cb 0.45 -0.06 -0.14 0.00 -1.05 0.00 0.00 32.46 31.66 2ce8 n ARG 497 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2ce8 s HIS 498 N -0.59 2.28 -0.01 2.89 3.76 -1.26 -0.70 115.29 121.67 2ce8 s HIS 498 Ca 0.00 -0.40 0.07 0.00 -0.15 0.00 0.00 55.06 54.59 2ce8 s HIS 498 Cb 0.00 -1.30 -0.02 0.00 1.11 0.00 0.00 32.58 32.37 2ce8 s HIS 498 CO 0.00 0.24 -0.23 0.08 -0.85 0.00 0.00 174.74 173.98 2ce8 s VAL 499 N -0.95 2.33 -0.21 -0.90 1.01 -0.21 -0.64 120.40 120.83 2ce8 s VAL 499 Ca 0.13 -1.10 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 2ce8 s VAL 499 Cb -0.10 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 2ce8 s VAL 499 CO 0.04 0.52 -0.04 -0.31 0.00 0.00 0.00 175.10 175.32 2ce8 s TYR 500 N -0.70 2.97 -0.19 5.22 1.51 0.58 -1.11 117.35 125.64 2ce8 s TYR 500 Ca 0.11 -0.77 -0.02 0.00 -1.01 0.00 0.00 57.07 55.38 2ce8 s TYR 500 Cb -0.10 -2.08 -0.01 0.00 -0.11 0.00 0.00 41.96 39.66 2ce8 s TYR 500 CO 0.00 -0.43 -0.08 0.95 -1.11 0.00 0.00 175.55 174.88 2ce8 s THR 501 N 1.26 3.18 -0.24 -0.71 -4.23 -0.55 -1.38 115.64 112.97 2ce8 s THR 501 Ca 0.03 -0.57 -0.19 0.00 -1.18 0.00 0.00 61.69 59.78 2ce8 s THR 501 Cb -0.14 -2.41 -0.03 0.00 1.34 0.00 0.00 72.50 71.26 2ce8 s THR 501 CO -0.01 0.46 0.54 -0.83 -0.54 0.00 0.00 174.62 174.24 2ce8 s GLY 502 N 1.15 1.91 0.00 3.99 0.00 0.36 -1.29 107.32 113.44 2ce8 s GLY 502 Ca 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.23 2ce8 s GLY 502 CO -0.02 1.23 0.00 0.61 0.00 0.00 0.00 173.10 174.91 2ce8 n GLY 503 N 4.19 1.87 3.36 0.20 0.00 -0.64 -1.95 105.19 112.22 2ce8 n GLY 503 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 3.28 2.79 0.00 1.61 2.20 -1.26 -0.88 119.74 127.49 2ce8 s LYS 504 Ca 0.00 -1.12 0.00 0.00 -0.36 0.00 0.00 55.97 54.49 2ce8 s LYS 504 Cb 0.00 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 2ce8 s LYS 504 CO 0.00 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 174.68 2ce8 n GLY 505 N 4.99 2.82 3.04 5.54 0.00 0.64 -4.85 105.19 117.37 2ce8 n GLY 505 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.37 5.24 0.01 0.00 1.01 -0.06 -1.63 120.40 122.61 2ce8 s VAL 507 Ca -0.07 0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 2ce8 s VAL 507 Cb -0.03 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2ce8 s VAL 507 CO -0.04 0.40 0.24 -0.54 0.00 0.00 0.00 175.10 175.16 2ce8 s LYS 508 N 0.72 3.52 -0.13 2.72 1.02 -0.41 0.13 119.74 127.31 2ce8 s LYS 508 Ca 0.07 -0.18 0.01 0.00 0.02 0.00 0.00 55.97 55.89 2ce8 s LYS 508 Cb -0.12 -3.07 -0.01 0.00 -0.52 0.00 0.00 37.83 34.11 2ce8 s LYS 508 CO 0.01 0.64 -0.17 0.08 -0.92 0.00 0.00 175.35 175.00 2ce8 s VAL 509 N -1.34 2.64 -0.07 3.17 1.01 -0.11 -1.49 120.40 124.21 2ce8 s VAL 509 Ca 0.29 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.51 2ce8 s VAL 509 Cb -0.13 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 2ce8 s VAL 509 CO 0.18 0.53 -0.21 0.26 0.00 0.00 0.00 175.10 175.86 2ce8 s TRP 510 N 0.50 2.17 -0.63 5.22 0.52 -0.26 0.08 118.94 126.54 2ce8 s TRP 510 Ca -0.11 -0.79 -0.22 0.00 0.02 0.00 0.00 56.10 55.00 2ce8 s TRP 510 Cb -0.16 -1.47 0.08 0.00 -1.15 0.00 0.00 33.47 30.77 2ce8 s TRP 510 CO 0.05 -0.31 0.89 0.34 0.02 0.00 0.00 176.95 177.94 2ce8 s ASP 511 N 0.25 6.18 0.00 2.95 -1.08 -1.26 -1.05 116.67 122.67 2ce8 s ASP 511 Ca -0.13 -1.07 0.28 0.00 -0.52 0.00 0.00 52.55 51.11 2ce8 s ASP 511 Cb -0.16 -2.39 1.00 0.00 -1.46 0.00 0.00 42.92 39.92 2ce8 s ASP 511 CO 0.06 -1.33 1.72 2.30 0.52 0.00 0.00 175.17 178.43 2ce8 n ILE 512 N 5.83 0.00 1.26 4.11 -5.35 0.13 -3.07 119.36 122.26 2ce8 n ILE 512 Ca -0.05 -0.09 0.14 0.00 -0.27 0.00 0.00 62.75 62.48 2ce8 n ILE 512 Cb 0.45 0.14 0.66 0.00 -1.74 0.00 0.00 39.64 39.15 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 -0.80 0.10 -4.04 7.28 3.41 -1.20 -4.03 113.62 114.34 2ce8 n SER 513 Ca 0.13 -0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.41 2ce8 n SER 513 Cb 0.31 -0.29 -0.10 0.00 -0.26 0.00 0.00 64.21 63.87 2ce8 n SER 513 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2ce8 s HIS 514 N -2.73 3.56 0.51 7.33 3.76 -1.18 -5.00 115.29 121.54 2ce8 s HIS 514 Ca 0.23 -3.00 0.27 0.00 -0.15 0.00 0.00 55.06 52.40 2ce8 s HIS 514 Cb 0.20 -3.06 1.37 0.00 1.11 0.00 0.00 32.58 32.19 2ce8 s HIS 514 CO 0.50 -0.74 1.91 -1.35 -0.85 0.00 0.00 174.74 174.22 2ce8 h PRO 515 N 6.31 0.09 0.00 8.40 0.11 -1.81 -1.63 132.00 143.47 2ce8 h PRO 515 Ca 0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2ce8 h PRO 515 Cb 0.86 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2ce8 h PRO 515 CO 0.75 0.06 0.00 0.78 -0.21 0.00 0.00 178.00 179.38 2ce8 h GLY 516 N 0.09 0.00 -4.34 -0.55 0.00 -1.94 -3.46 103.07 92.87 2ce8 h GLY 516 Ca 0.38 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 47.18 2ce8 h GLY 516 CO -0.04 0.00 0.86 0.70 0.00 0.00 0.00 176.54 178.06 2ce8 n ASN 517 N -2.73 3.77 -0.03 0.19 4.13 -0.62 -4.91 115.26 115.07 2ce8 n ASN 517 Ca 0.01 1.15 0.04 0.00 1.68 0.00 0.00 54.58 57.45 2ce8 n ASN 517 Cb 0.24 -1.58 -0.04 0.00 -1.54 0.00 0.00 39.78 36.86 2ce8 n ASN 517 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2ce8 n LYS 518 N 2.12 4.07 -4.33 3.52 5.02 -1.26 -5.04 118.16 122.25 2ce8 n LYS 518 Ca 0.09 -0.08 -0.17 0.00 -2.02 0.00 0.00 58.31 56.13 2ce8 n LYS 518 Cb 0.36 -0.90 -0.10 0.00 -0.02 0.00 0.00 35.03 34.37 2ce8 n LYS 518 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2ce8 s SER 519 N -1.68 1.96 0.88 4.39 1.04 -1.26 -4.68 113.70 114.35 2ce8 s SER 519 Ca 0.04 -1.19 -0.10 0.00 0.48 0.00 0.00 55.95 55.17 2ce8 s SER 519 Cb 0.06 -0.02 0.12 0.00 0.10 0.00 0.00 66.02 66.29 2ce8 s SER 519 CO 0.31 -0.47 1.13 -2.84 0.98 0.00 0.00 173.24 172.35 2ce8 s PRO 520 N -3.83 1.32 0.00 4.02 0.02 -1.26 -4.78 135.00 130.49 2ce8 s PRO 520 Ca 0.27 1.43 0.20 0.00 0.02 0.00 0.00 61.00 62.91 2ce8 s PRO 520 Cb 0.05 -1.77 -0.20 0.00 0.02 0.00 0.00 34.50 32.60 2ce8 s PRO 520 CO 0.08 -2.38 0.60 1.33 -0.33 0.00 0.00 177.00 176.30 2ce8 n VAL 521 N -4.05 0.75 -3.91 3.83 0.24 0.11 -4.98 118.33 110.33 2ce8 n VAL 521 Ca 0.11 -0.64 -0.08 0.00 -2.04 0.00 0.00 64.34 61.68 2ce8 n VAL 521 Cb 0.52 -0.38 -0.08 0.00 -1.47 0.00 0.00 33.84 32.43 2ce8 n VAL 521 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2ce8 s SER 522 N -5.24 0.20 -0.02 -1.34 0.01 -1.14 -5.01 113.70 101.15 2ce8 s SER 522 Ca -0.06 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.50 2ce8 s SER 522 Cb 0.10 0.30 0.02 0.00 0.21 0.00 0.00 66.02 66.66 2ce8 s SER 522 CO 0.84 -0.68 0.01 -1.58 0.41 0.00 0.00 173.24 172.24 2ce8 s GLN 523 N -3.75 0.16 -0.39 12.44 0.74 -1.26 -0.93 119.66 126.66 2ce8 s GLN 523 Ca 0.04 0.10 -0.07 0.00 0.05 0.00 0.00 55.36 55.49 2ce8 s GLN 523 Cb 0.05 -0.36 0.07 0.00 1.10 0.00 0.00 33.01 33.88 2ce8 s GLN 523 CO -0.10 -0.13 0.19 -0.51 -0.55 0.00 0.00 175.29 174.20 2ce8 s LEU 524 N 0.90 4.89 -0.53 3.68 1.43 0.12 -4.97 118.68 124.20 2ce8 s LEU 524 Ca -0.08 -1.52 -0.28 0.00 -1.03 0.00 0.00 54.13 51.22 2ce8 s LEU 524 Cb -0.12 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.23 2ce8 s LEU 524 CO -0.02 -0.47 1.14 -1.81 0.23 0.00 0.00 176.35 175.42 2ce8 s ASP 525 N 1.84 6.52 -0.15 2.29 1.01 -1.26 -0.88 116.67 126.03 2ce8 s ASP 525 Ca 0.02 0.22 -0.09 0.00 0.71 0.00 0.00 52.55 53.42 2ce8 s ASP 525 Cb -0.22 -2.54 -0.07 0.00 1.01 0.00 0.00 42.92 41.10 2ce8 s ASP 525 CO 0.01 -1.35 -0.21 0.00 0.21 0.00 0.00 175.17 173.82 2ce8 s LEU 527 N -6.96 2.30 0.26 0.00 1.43 -0.72 -4.94 118.68 110.05 2ce8 s LEU 527 Ca -0.22 -1.60 -0.30 0.00 -1.03 0.00 0.00 54.13 50.97 2ce8 s LEU 527 Cb 0.08 -0.60 -0.14 0.00 0.03 0.00 0.00 46.19 45.57 2ce8 s LEU 527 CO 0.28 -0.80 1.23 -3.20 0.23 0.00 0.00 176.35 174.10 2ce8 n ASN 528 N -1.20 2.11 0.28 2.29 2.85 -1.26 -4.64 115.26 115.69 2ce8 n ASN 528 Ca -0.13 1.17 0.13 0.00 -0.11 0.00 0.00 54.58 55.63 2ce8 n ASN 528 Cb 0.67 -1.36 0.69 0.00 1.24 0.00 0.00 39.78 41.01 2ce8 n ASN 528 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 2ce8 h ARG 529 N 3.11 0.00 -0.01 1.20 3.08 -1.88 0.30 114.38 120.17 2ce8 h ARG 529 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2ce8 h ARG 529 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2ce8 h ARG 529 CO 0.68 0.00 -0.49 -0.25 -1.07 0.00 0.00 179.97 178.83 2ce8 n ASP 530 N -2.63 1.85 -4.72 7.04 8.00 -1.26 -4.19 116.55 120.63 2ce8 n ASP 530 Ca -0.02 -1.42 -0.36 0.00 0.71 0.00 0.00 54.79 53.70 2ce8 n ASP 530 Cb 0.34 0.53 -0.08 0.00 -0.02 0.00 0.00 41.12 41.89 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 -2.40 6.27 0.17 -2.24 0.01 0.11 -4.93 114.94 111.93 2ce8 s ASN 531 Ca 0.16 0.30 -0.30 0.00 -0.71 0.00 0.00 52.86 52.32 2ce8 s ASN 531 Cb 0.17 -2.12 -0.08 0.00 0.41 0.00 0.00 41.25 39.62 2ce8 s ASN 531 CO 0.56 0.13 1.23 -0.31 -1.51 0.00 0.00 177.10 177.20 2ce8 s TYR 532 N 0.53 3.38 0.32 2.20 2.02 -1.26 -0.26 117.35 124.27 2ce8 s TYR 532 Ca 0.11 1.35 -0.29 0.00 -0.37 0.00 0.00 57.07 57.86 2ce8 s TYR 532 Cb -0.12 -3.48 -0.11 0.00 -0.40 0.00 0.00 41.96 37.85 2ce8 s TYR 532 CO 0.01 -1.41 1.45 0.42 -1.57 0.00 0.00 175.55 174.45 2ce8 s ILE 533 N 0.14 2.37 -0.01 2.71 -1.09 -0.06 -0.54 121.20 124.72 2ce8 s ILE 533 Ca 0.55 0.34 0.04 0.00 -2.23 0.00 0.00 60.65 59.34 2ce8 s ILE 533 Cb -0.33 -3.22 -0.05 0.00 -1.58 0.00 0.00 42.46 37.27 2ce8 s ILE 533 CO 0.36 0.07 0.08 0.54 -1.23 0.00 0.00 174.94 174.76 2ce8 n ARG 534 N 1.32 0.27 -3.66 2.79 5.12 -0.12 -4.51 116.66 117.87 2ce8 n ARG 534 Ca 0.03 -0.03 -0.14 0.00 -1.93 0.00 0.00 57.85 55.78 2ce8 n ARG 534 Cb 0.40 -1.07 -0.08 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 -2.38 -0.62 -0.07 0.55 0.15 -0.81 -4.58 113.70 105.94 2ce8 s SER 535 Ca -0.01 1.18 -0.03 0.00 0.70 0.00 0.00 55.95 57.78 2ce8 s SER 535 Cb 0.02 1.19 0.04 0.00 -1.71 0.00 0.00 66.02 65.56 2ce8 s SER 535 CO 0.15 -0.23 0.17 0.00 1.20 0.00 0.00 173.24 174.52 2ce8 s LYS 537 N 1.23 1.48 -0.02 0.00 -0.14 0.11 -4.68 119.74 117.72 2ce8 s LYS 537 Ca -0.09 -0.50 -0.15 0.00 -1.36 0.00 0.00 55.97 53.88 2ce8 s LYS 537 Cb -0.11 -1.31 -0.05 0.00 -1.68 0.00 0.00 37.83 34.67 2ce8 s LYS 537 CO -0.07 0.20 0.40 -0.51 -0.76 0.00 0.00 175.35 174.61 2ce8 s LEU 538 N 0.09 4.44 0.59 3.17 1.43 -1.26 -0.28 118.68 126.86 2ce8 s LEU 538 Ca -0.03 0.91 -0.19 0.00 -1.03 0.00 0.00 54.13 53.78 2ce8 s LEU 538 Cb -0.10 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 2ce8 s LEU 538 CO 0.02 0.29 1.23 -0.76 0.23 0.00 0.00 176.35 177.35 2ce8 s LEU 539 N -0.84 3.68 0.52 1.79 2.01 0.09 -4.91 118.68 121.03 2ce8 s LEU 539 Ca 0.23 2.45 0.37 0.00 0.01 0.00 0.00 54.13 57.20 2ce8 s LEU 539 Cb -0.16 -4.56 1.53 0.00 0.01 0.00 0.00 46.19 43.01 2ce8 s LEU 539 CO 0.12 -1.62 1.73 -0.65 1.01 0.00 0.00 176.35 176.94 2ce8 h PRO 540 N 0.94 0.06 -0.00 1.29 0.11 -1.93 0.12 132.00 132.59 2ce8 h PRO 540 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2ce8 h PRO 540 Cb 1.30 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2ce8 h PRO 540 CO 0.55 0.04 -0.40 -0.40 -0.21 0.00 0.00 178.00 177.58 2ce8 n ASP 541 N -4.24 0.80 0.00 -2.05 5.75 -1.26 -4.95 116.55 110.60 2ce8 n ASP 541 Ca 0.31 -0.61 0.00 0.00 -0.01 0.00 0.00 54.79 54.48 2ce8 n ASP 541 Cb 1.40 0.23 0.00 0.00 -1.03 0.00 0.00 41.12 41.72 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 1.42 0.99 0.20 6.12 0.00 0.43 -4.90 105.19 109.45 2ce8 n GLY 542 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.23 0.44 -0.13 0.00 2.01 -1.26 0.39 115.64 113.85 2ce8 s THR 544 Ca 0.06 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.89 2ce8 s THR 544 Cb 0.06 -0.41 -0.01 0.00 0.01 0.00 0.00 72.50 72.15 2ce8 s THR 544 CO 0.69 0.15 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.40 2ce8 s LEU 545 N 0.29 2.58 -0.16 4.42 2.96 -0.74 -0.73 118.68 127.29 2ce8 s LEU 545 Ca -0.03 -0.39 -0.06 0.00 -0.22 0.00 0.00 54.13 53.43 2ce8 s LEU 545 Cb -0.07 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 2ce8 s LEU 545 CO -0.00 0.14 0.03 -0.63 -1.32 0.00 0.00 176.35 174.57 2ce8 s ILE 546 N 0.48 4.53 -0.07 6.68 1.01 0.61 -0.65 121.20 133.80 2ce8 s ILE 546 Ca -0.10 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.45 2ce8 s ILE 546 Cb -0.16 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2ce8 s ILE 546 CO 0.05 0.49 -0.19 -0.69 0.00 0.00 0.00 174.94 174.60 2ce8 s VAL 547 N 0.19 1.61 0.08 2.92 1.01 -0.23 -0.71 120.40 125.27 2ce8 s VAL 547 Ca 0.02 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.24 2ce8 s VAL 547 Cb -0.13 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 2ce8 s VAL 547 CO 0.01 0.46 -0.06 -0.83 0.00 0.00 0.00 175.10 174.68 2ce8 s GLY 548 N 0.36 0.66 0.00 4.51 0.00 -0.73 -1.50 107.32 110.62 2ce8 s GLY 548 Ca -0.13 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.34 2ce8 s GLY 548 CO 0.05 -1.35 0.00 0.61 0.00 0.00 0.00 173.10 172.42 2ce8 n GLY 549 N 0.16 1.78 2.58 0.20 0.00 -1.24 -0.94 105.19 107.73 2ce8 n GLY 549 Ca -0.14 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 3.45 -3.57 1.61 1.02 0.29 -0.40 120.64 123.04 2ce8 n GLU 550 Ca 0.00 -2.69 -0.07 0.00 -0.02 0.00 0.00 57.16 54.38 2ce8 n GLU 550 Cb 0.00 -3.00 -0.02 0.00 -0.02 0.00 0.00 31.44 28.40 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 1.96 -1.83 -0.86 0.62 0.00 -1.13 -4.76 121.76 115.77 2ce8 s ALA 551 Ca 0.55 0.88 0.20 0.00 0.00 0.00 0.00 51.96 53.59 2ce8 s ALA 551 Cb 0.15 0.41 0.83 0.00 0.00 0.00 0.00 23.12 24.51 2ce8 s ALA 551 CO -0.07 -0.76 1.63 0.43 0.00 0.00 0.00 175.76 176.99 2ce8 n SER 552 N -0.28 0.22 -4.53 0.00 7.64 -1.18 -3.88 113.62 111.61 2ce8 n SER 552 Ca -0.07 0.55 -0.33 0.00 1.01 0.00 0.00 58.87 60.02 2ce8 n SER 552 Cb 0.61 -0.60 -0.12 0.00 -1.01 0.00 0.00 64.21 63.10 2ce8 n SER 552 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2ce8 s THR 553 N -3.08 3.46 -0.17 0.44 -4.23 -1.26 -0.71 115.64 110.10 2ce8 s THR 553 Ca 0.08 -0.56 -0.08 0.00 -1.18 0.00 0.00 61.69 59.95 2ce8 s THR 553 Cb 0.11 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.50 2ce8 s THR 553 CO 0.37 0.59 0.10 -0.76 -0.54 0.00 0.00 174.62 174.37 2ce8 s LEU 554 N -0.64 4.06 -0.13 4.79 1.43 0.63 -4.58 118.68 124.25 2ce8 s LEU 554 Ca 0.10 0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 53.37 2ce8 s LEU 554 Cb -0.11 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 2ce8 s LEU 554 CO 0.01 0.24 0.04 -0.94 0.23 0.00 0.00 176.35 175.94 2ce8 s SER 555 N -0.04 5.51 -0.25 2.29 1.04 -0.56 -0.57 113.70 121.12 2ce8 s SER 555 Ca 0.08 0.14 -0.07 0.00 0.48 0.00 0.00 55.95 56.59 2ce8 s SER 555 Cb -0.12 -1.77 -0.02 0.00 0.10 0.00 0.00 66.02 64.21 2ce8 s SER 555 CO 0.00 0.29 0.05 -0.63 0.98 0.00 0.00 173.24 173.94 2ce8 s ILE 556 N -0.33 4.15 -0.20 -1.02 1.01 0.63 -1.06 121.20 124.38 2ce8 s ILE 556 Ca 0.08 -0.26 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 2ce8 s ILE 556 Cb -0.12 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 2ce8 s ILE 556 CO 0.02 0.33 0.01 0.26 0.00 0.00 0.00 174.94 175.56 2ce8 s TRP 557 N 1.59 3.06 -0.16 3.97 0.52 0.18 0.13 118.94 128.23 2ce8 s TRP 557 Ca 0.06 -0.39 -0.29 0.00 0.02 0.00 0.00 56.10 55.50 2ce8 s TRP 557 Cb -0.15 -2.08 -0.01 0.00 -1.15 0.00 0.00 33.47 30.08 2ce8 s TRP 557 CO 0.03 -0.19 1.19 0.34 0.02 0.00 0.00 176.95 178.33 2ce8 s ASP 558 N 0.93 7.01 0.00 2.95 -1.08 0.18 -1.80 116.67 124.86 2ce8 s ASP 558 Ca 0.01 1.63 0.22 0.00 -0.52 0.00 0.00 52.55 53.89 2ce8 s ASP 558 Cb -0.14 -2.54 -0.14 0.00 -1.46 0.00 0.00 42.92 38.63 2ce8 s ASP 558 CO 0.02 -0.70 0.95 0.18 0.52 0.00 0.00 175.17 176.15 2ce8 n LEU 559 N 6.24 0.90 -4.72 -1.34 4.77 0.16 -1.95 117.00 121.07 2ce8 n LEU 559 Ca 0.13 -0.42 -0.42 0.00 -0.03 0.00 0.00 56.01 55.27 2ce8 n LEU 559 Cb 0.46 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 2ce8 n LEU 559 CO 0.55 0.22 1.33 0.00 -1.33 0.00 0.00 177.39 178.15 2ce8 s ALA 560 N -3.02 3.89 0.92 -1.18 0.00 -1.25 -4.75 121.76 116.37 2ce8 s ALA 560 Ca 0.08 1.52 -0.12 0.00 0.00 0.00 0.00 51.96 53.45 2ce8 s ALA 560 Cb 0.16 -3.67 0.09 0.00 0.00 0.00 0.00 23.12 19.70 2ce8 s ALA 560 CO 0.85 -0.88 0.83 0.00 0.00 0.00 0.00 175.76 176.56 2ce8 n ALA 561 N 3.92 -1.50 -1.00 0.00 0.00 -1.26 -4.76 120.51 115.91 2ce8 n ALA 561 Ca 0.15 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2ce8 n ALA 561 Cb 0.36 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 -3.03 0.00 -2.18 0.00 -0.02 -1.26 -4.99 135.00 123.51 2ce8 n PRO 562 Ca 0.10 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.55 2ce8 n PRO 562 Cb 0.52 -0.04 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 2ce8 n PRO 562 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2ce8 n THR 563 N 0.00 -6.31 -1.99 3.45 -1.04 -1.26 -5.09 114.28 102.04 2ce8 n THR 563 Ca 0.00 0.34 -0.42 0.00 -2.04 0.00 0.00 64.05 61.93 2ce8 n THR 563 Cb 0.00 -5.55 -0.03 0.00 -1.82 0.00 0.00 70.33 62.93 2ce8 n THR 563 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2ce8 s PRO 564 N -2.02 4.21 0.11 -2.82 0.02 -1.26 -4.86 135.00 128.38 2ce8 s PRO 564 Ca 0.10 2.24 0.07 0.00 0.02 0.00 0.00 61.00 63.43 2ce8 s PRO 564 Cb -0.03 -3.66 -0.04 0.00 0.02 0.00 0.00 34.50 30.80 2ce8 s PRO 564 CO 0.38 -0.72 -0.17 -0.98 -0.33 0.00 0.00 177.00 175.17 2ce8 s ARG 565 N 2.82 1.06 0.06 5.54 1.70 -0.82 -4.98 118.95 124.32 2ce8 s ARG 565 Ca 0.72 -1.18 -0.31 0.00 -0.47 0.00 0.00 55.73 54.50 2ce8 s ARG 565 Cb -0.37 -1.14 -0.06 0.00 -0.57 0.00 0.00 34.95 32.81 2ce8 s ARG 565 CO 0.31 0.25 1.26 -1.50 -1.08 0.00 0.00 175.30 174.53 2ce8 s ILE 566 N -1.57 3.87 -0.17 4.99 2.07 -1.26 0.51 121.20 129.64 2ce8 s ILE 566 Ca 0.07 1.33 -0.00 0.00 -1.41 0.00 0.00 60.65 60.63 2ce8 s ILE 566 Cb -0.08 -3.85 -0.10 0.00 0.13 0.00 0.00 42.46 38.55 2ce8 s ILE 566 CO 0.04 0.08 -0.16 1.17 -1.91 0.00 0.00 174.94 174.17 2ce8 n LYS 567 N 4.18 0.41 -3.71 3.50 4.81 0.12 -4.84 118.16 122.62 2ce8 n LYS 567 Ca 0.10 0.10 -0.09 0.00 -0.87 0.00 0.00 58.31 57.55 2ce8 n LYS 567 Cb 0.45 -1.30 -0.03 0.00 0.02 0.00 0.00 35.03 34.17 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 -2.33 -1.17 0.01 3.14 0.00 -1.01 -5.02 121.76 115.39 2ce8 s ALA 568 Ca -0.23 -0.11 0.05 0.00 0.00 0.00 0.00 51.96 51.68 2ce8 s ALA 568 Cb 0.06 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 24.04 2ce8 s ALA 568 CO 0.37 -0.88 -0.16 -1.21 0.00 0.00 0.00 175.76 173.88 2ce8 s GLU 569 N -3.87 1.24 -0.22 0.00 2.02 -1.26 -0.27 118.70 116.35 2ce8 s GLU 569 Ca 0.08 -0.67 -0.05 0.00 0.02 0.00 0.00 54.97 54.36 2ce8 s GLU 569 Cb -0.03 -1.23 -0.02 0.00 0.10 0.00 0.00 34.13 32.95 2ce8 s GLU 569 CO -0.01 0.33 -0.00 -0.51 0.02 0.00 0.00 175.26 175.08 2ce8 s LEU 570 N -0.65 3.17 -0.30 1.80 1.43 0.26 -4.95 118.68 119.44 2ce8 s LEU 570 Ca 0.05 -0.26 -0.08 0.00 -1.03 0.00 0.00 54.13 52.81 2ce8 s LEU 570 Cb -0.07 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.34 2ce8 s LEU 570 CO 0.00 0.02 0.11 -0.89 0.23 0.00 0.00 176.35 175.82 2ce8 s THR 571 N 1.26 4.21 0.50 5.49 2.01 -1.26 -0.27 115.64 127.58 2ce8 s THR 571 Ca 0.04 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.50 2ce8 s THR 571 Cb -0.15 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.24 2ce8 s THR 571 CO 0.01 0.08 0.69 -0.94 -0.69 0.00 0.00 174.62 173.77 2ce8 s SER 572 N 1.54 5.43 0.00 3.53 1.04 0.12 -5.02 113.70 120.34 2ce8 s SER 572 Ca 0.03 -0.20 0.23 0.00 0.48 0.00 0.00 55.95 56.49 2ce8 s SER 572 Cb -0.17 -0.76 0.12 0.00 0.10 0.00 0.00 66.02 65.31 2ce8 s SER 572 CO 0.04 -0.99 1.20 -1.54 0.98 0.00 0.00 173.24 172.93 2ce8 n SER 573 N -2.13 2.62 -4.75 7.02 3.41 -1.26 -4.82 113.62 113.70 2ce8 n SER 573 Ca 0.08 -1.81 -0.41 0.00 -0.26 0.00 0.00 58.87 56.48 2ce8 n SER 573 Cb 0.59 0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.69 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 -2.19 3.42 0.47 7.33 0.00 -1.26 -4.97 121.76 124.57 2ce8 s ALA 574 Ca 0.24 0.94 0.13 0.00 0.00 0.00 0.00 51.96 53.27 2ce8 s ALA 574 Cb 0.19 -3.36 1.11 0.00 0.00 0.00 0.00 23.12 21.06 2ce8 s ALA 574 CO 0.41 -0.26 2.10 -1.35 0.00 0.00 0.00 175.76 176.66 2ce8 h PRO 575 N 4.22 0.23 -3.18 0.00 0.11 -1.91 -3.38 132.00 128.09 2ce8 h PRO 575 Ca -0.46 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 2ce8 h PRO 575 Cb 1.21 -0.05 -0.18 0.00 0.11 0.00 0.00 31.00 32.09 2ce8 h PRO 575 CO 0.69 0.15 -0.25 0.00 -0.21 0.00 0.00 178.00 178.38 2ce8 s ALA 576 N -5.25 -0.73 -0.18 -0.75 0.00 -1.26 -2.83 121.76 110.76 2ce8 s ALA 576 Ca -0.06 0.15 -0.07 0.00 0.00 0.00 0.00 51.96 51.97 2ce8 s ALA 576 Cb 0.17 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 2ce8 s ALA 576 CO 0.70 -0.35 0.05 0.00 0.00 0.00 0.00 175.76 176.16 2ce8 n TYR 578 N 3.56 0.00 -3.54 0.00 0.53 -0.08 -3.66 117.16 113.96 2ce8 n TYR 578 Ca -0.17 0.00 -0.15 0.00 -1.02 0.00 0.00 57.90 56.57 2ce8 n TYR 578 Cb 0.52 -0.40 -0.06 0.00 -1.03 0.00 0.00 39.34 38.38 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 -3.25 -1.84 0.13 -0.72 0.00 -1.25 -4.62 121.76 110.20 2ce8 s ALA 579 Ca -0.06 1.43 0.05 0.00 0.00 0.00 0.00 51.96 53.39 2ce8 s ALA 579 Cb 0.12 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 2ce8 s ALA 579 CO 0.78 -0.34 -0.13 -0.51 0.00 0.00 0.00 175.76 175.55 2ce8 s LEU 580 N -1.16 2.43 -0.10 0.00 1.43 -1.26 -0.97 118.68 119.05 2ce8 s LEU 580 Ca -0.07 -0.85 -0.13 0.00 -1.03 0.00 0.00 54.13 52.05 2ce8 s LEU 580 Cb -0.00 -0.49 0.03 0.00 0.03 0.00 0.00 46.19 45.76 2ce8 s LEU 580 CO 0.06 -0.19 0.34 0.00 0.23 0.00 0.00 176.35 176.79 2ce8 s ALA 581 N -2.39 -0.85 -0.05 4.21 0.00 -0.71 -4.93 121.76 117.05 2ce8 s ALA 581 Ca 0.10 0.82 0.01 0.00 0.00 0.00 0.00 51.96 52.89 2ce8 s ALA 581 Cb -0.03 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 2ce8 s ALA 581 CO 0.02 -0.19 -0.06 0.42 0.00 0.00 0.00 175.76 175.96 2ce8 s ILE 582 N -0.21 3.78 0.60 0.00 -1.09 -1.26 -0.22 121.20 122.79 2ce8 s ILE 582 Ca -0.04 -0.55 -0.18 0.00 -2.23 0.00 0.00 60.65 57.65 2ce8 s ILE 582 Cb -0.03 -2.58 -0.03 0.00 -1.58 0.00 0.00 42.46 38.23 2ce8 s ILE 582 CO 0.01 0.53 1.19 -0.94 -1.23 0.00 0.00 174.94 174.50 2ce8 s SER 583 N -1.04 5.21 0.50 3.58 1.04 -0.36 -4.90 113.70 117.74 2ce8 s SER 583 Ca 0.14 2.33 0.23 0.00 0.48 0.00 0.00 55.95 59.13 2ce8 s SER 583 Cb -0.11 -2.59 1.30 0.00 0.10 0.00 0.00 66.02 64.72 2ce8 s SER 583 CO 0.04 -1.57 2.04 1.55 0.98 0.00 0.00 173.24 176.28 2ce8 h PRO 584 N 0.81 0.00 0.00 4.02 0.13 -1.94 0.45 132.00 135.48 2ce8 h PRO 584 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2ce8 h PRO 584 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2ce8 h PRO 584 CO 0.55 0.15 0.00 -0.40 -0.23 0.00 0.00 178.00 178.07 2ce8 n ASP 585 N -3.85 0.00 0.00 1.44 5.68 -1.26 -4.93 116.55 113.63 2ce8 n ASP 585 Ca -0.02 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 53.02 2ce8 n ASP 585 Cb 0.24 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 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 -0.81 -2.54 0.06 -1.12 7.64 0.15 -4.88 113.62 112.12 2ce8 n SER 586 Ca 0.14 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.02 2ce8 n SER 586 Cb 0.06 -1.78 -0.05 0.00 -1.01 0.00 0.00 64.21 61.43 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 0.87 0.00 -5.24 1.43 1.57 -1.92 -3.47 116.57 109.81 2ce8 h LYS 587 Ca 0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 2ce8 h LYS 587 Cb 0.30 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.34 2ce8 h LYS 587 CO 0.00 0.37 -0.80 0.08 -0.57 0.00 0.00 179.45 178.53 2ce8 s VAL 588 N -2.93 1.07 -0.12 0.50 1.01 -1.26 -1.34 120.40 117.33 2ce8 s VAL 588 Ca -0.01 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 2ce8 s VAL 588 Cb 0.08 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 2ce8 s VAL 588 CO 0.79 0.14 -0.11 0.00 0.00 0.00 0.00 175.10 175.92 2ce8 s PHE 590 N 0.08 3.34 -0.13 0.00 0.40 0.70 -0.33 117.98 122.03 2ce8 s PHE 590 Ca -0.04 0.23 0.03 0.00 -0.60 0.00 0.00 56.93 56.55 2ce8 s PHE 590 Cb -0.14 -2.21 0.01 0.00 0.51 0.00 0.00 43.02 41.19 2ce8 s PHE 590 CO 0.04 0.15 -0.22 0.45 0.70 0.00 0.00 175.22 176.34 2ce8 s SER 591 N 0.73 3.18 -0.41 1.36 0.15 0.49 -1.74 113.70 117.46 2ce8 s SER 591 Ca 0.07 -0.57 -0.27 0.00 0.70 0.00 0.00 55.95 55.88 2ce8 s SER 591 Cb -0.12 -1.45 0.02 0.00 -1.71 0.00 0.00 66.02 62.76 2ce8 s SER 591 CO 0.02 0.10 1.01 0.00 1.20 0.00 0.00 173.24 175.56 2ce8 n SER 594 N -0.73 0.69 -0.57 0.00 3.41 -0.62 -1.34 113.62 114.46 2ce8 n SER 594 Ca -0.01 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 2ce8 n SER 594 Cb 0.53 -0.82 0.41 0.00 -0.26 0.00 0.00 64.21 64.07 2ce8 n SER 594 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2ce8 n ASP 595 N -2.27 1.73 0.00 4.04 5.68 -1.26 -3.30 116.55 121.17 2ce8 n ASP 595 Ca 0.02 -1.66 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 2ce8 n ASP 595 Cb 0.22 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 2ce8 n ASP 595 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ce8 n GLY 596 N 1.17 1.25 3.79 6.12 0.00 -0.45 -4.53 105.19 112.53 2ce8 n GLY 596 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.48 5.99 -0.34 1.61 0.01 -1.26 -3.91 114.94 114.56 2ce8 s ASN 597 Ca 0.00 2.05 -0.07 0.00 -0.71 0.00 0.00 52.86 54.13 2ce8 s ASN 597 Cb 0.00 -2.57 0.04 0.00 0.41 0.00 0.00 41.25 39.13 2ce8 s ASN 597 CO 0.00 -1.03 0.12 -0.63 -1.51 0.00 0.00 177.10 174.05 2ce8 s ILE 598 N -1.91 3.88 0.10 0.60 -1.09 -0.74 -0.82 121.20 121.23 2ce8 s ILE 598 Ca 0.70 -1.11 -0.28 0.00 -2.23 0.00 0.00 60.65 57.72 2ce8 s ILE 598 Cb -0.20 -3.20 -0.06 0.00 -1.58 0.00 0.00 42.46 37.42 2ce8 s ILE 598 CO 0.24 -0.19 0.90 0.00 -1.23 0.00 0.00 174.94 174.66 2ce8 s ALA 599 N 1.42 3.29 -0.27 9.38 0.00 0.22 -0.91 121.76 134.88 2ce8 s ALA 599 Ca -0.01 0.49 -0.03 0.00 0.00 0.00 0.00 51.96 52.41 2ce8 s ALA 599 Cb -0.20 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.76 2ce8 s ALA 599 CO 0.03 0.02 -0.01 0.08 0.00 0.00 0.00 175.76 175.88 2ce8 s VAL 600 N -0.09 3.23 -0.23 0.00 1.01 -0.29 -0.38 120.40 123.65 2ce8 s VAL 600 Ca 0.44 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 2ce8 s VAL 600 Cb -0.23 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 2ce8 s VAL 600 CO 0.28 0.11 0.07 0.26 0.00 0.00 0.00 175.10 175.82 2ce8 s TRP 601 N 1.37 3.14 -0.33 5.22 0.52 0.55 -0.13 118.94 129.28 2ce8 s TRP 601 Ca 0.00 -0.23 -0.29 0.00 0.02 0.00 0.00 56.10 55.60 2ce8 s TRP 601 Cb -0.17 -2.20 0.01 0.00 -1.15 0.00 0.00 33.47 29.96 2ce8 s TRP 601 CO -0.02 -0.19 1.29 0.34 0.02 0.00 0.00 176.95 178.39 2ce8 s ASP 602 N 1.25 6.64 0.14 2.95 3.68 -0.16 -1.26 116.67 129.91 2ce8 s ASP 602 Ca 0.05 1.09 -0.10 0.00 2.13 0.00 0.00 52.55 55.72 2ce8 s ASP 602 Cb -0.14 -2.54 -0.03 0.00 -1.45 0.00 0.00 42.92 38.75 2ce8 s ASP 602 CO 0.04 -1.13 1.46 -0.07 0.13 0.00 0.00 175.17 175.60 2ce8 h LEU 603 N 11.02 0.94 -0.25 -1.34 3.38 -1.52 -0.66 115.31 126.88 2ce8 h LEU 603 Ca -0.26 -0.47 0.06 0.00 0.09 0.00 0.00 57.88 57.30 2ce8 h LEU 603 Cb 1.09 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 2ce8 h LEU 603 CO 1.05 1.26 -0.13 -0.74 0.09 0.00 0.00 178.44 179.97 2ce8 h HIS 604 N 0.68 -0.30 -0.46 1.13 2.76 -1.92 -3.18 115.15 113.85 2ce8 h HIS 604 Ca 0.03 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2ce8 h HIS 604 Cb 1.07 0.17 0.00 0.00 1.55 0.00 0.00 27.41 30.20 2ce8 h HIS 604 CO 0.06 -0.19 0.00 0.27 -1.30 0.00 0.00 177.93 176.77 2ce8 n ASN 605 N -5.29 3.34 -3.80 3.26 0.23 -1.24 -5.00 115.26 106.76 2ce8 n ASN 605 Ca -0.01 -2.08 -0.24 0.00 -0.53 0.00 0.00 54.58 51.73 2ce8 n ASN 605 Cb 0.21 -0.33 0.02 0.00 -2.08 0.00 0.00 39.78 37.59 2ce8 n ASN 605 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ce8 n GLN 606 N 0.79 -4.50 -4.99 -3.83 3.00 -0.28 -4.98 117.38 102.59 2ce8 n GLN 606 Ca 0.16 0.55 -0.28 0.00 -0.01 0.00 0.00 57.00 57.43 2ce8 n GLN 606 Cb 0.53 -5.03 -0.16 0.00 0.00 0.00 0.00 30.24 25.57 2ce8 n GLN 606 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2ce8 s THR 607 N -3.70 1.63 -0.44 5.09 2.01 -1.08 -4.96 115.64 114.19 2ce8 s THR 607 Ca 0.09 -0.85 -0.28 0.00 0.31 0.00 0.00 61.69 60.95 2ce8 s THR 607 Cb -0.04 -1.38 0.00 0.00 0.01 0.00 0.00 72.50 71.09 2ce8 s THR 607 CO 0.84 0.46 1.52 -0.22 -0.69 0.00 0.00 174.62 176.53 2ce8 s LEU 608 N -0.20 3.51 0.09 4.42 2.96 -1.26 -0.99 118.68 127.20 2ce8 s LEU 608 Ca 0.01 0.77 0.21 0.00 -0.22 0.00 0.00 54.13 54.90 2ce8 s LEU 608 Cb -0.11 -3.36 -0.14 0.00 0.50 0.00 0.00 46.19 43.09 2ce8 s LEU 608 CO 0.01 -1.62 0.79 1.33 -1.32 0.00 0.00 176.35 175.54 2ce8 n VAL 609 N 7.12 0.57 -3.64 1.68 0.24 0.82 -4.97 118.33 120.14 2ce8 n VAL 609 Ca 0.17 -0.57 -0.12 0.00 -2.04 0.00 0.00 64.34 61.78 2ce8 n VAL 609 Cb 0.48 -0.31 -0.05 0.00 -1.47 0.00 0.00 33.84 32.49 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 -3.30 1.00 -0.04 7.34 3.52 -1.18 -5.02 118.95 121.27 2ce8 s ARG 610 Ca -0.04 -0.53 -0.02 0.00 -0.13 0.00 0.00 55.73 55.02 2ce8 s ARG 610 Cb 0.11 0.44 0.03 0.00 -1.56 0.00 0.00 34.95 33.97 2ce8 s ARG 610 CO 0.83 -0.37 0.05 -1.14 -0.81 0.00 0.00 175.30 173.86 2ce8 s GLN 611 N -3.14 0.04 -0.38 5.12 0.74 -1.26 -1.14 119.66 119.64 2ce8 s GLN 611 Ca -0.01 0.31 -0.26 0.00 0.05 0.00 0.00 55.36 55.45 2ce8 s GLN 611 Cb 0.01 -0.56 0.02 0.00 1.10 0.00 0.00 33.01 33.58 2ce8 s GLN 611 CO -0.07 -0.31 0.92 -0.06 -0.55 0.00 0.00 175.29 175.22 2ce8 s PHE 612 N 2.01 3.07 -0.09 1.67 0.40 -0.09 -4.93 117.98 120.01 2ce8 s PHE 612 Ca 0.03 0.73 -0.01 0.00 -0.60 0.00 0.00 56.93 57.08 2ce8 s PHE 612 Cb -0.12 -3.67 -0.03 0.00 0.51 0.00 0.00 43.02 39.71 2ce8 s PHE 612 CO -0.03 -0.85 -0.03 -0.65 0.70 0.00 0.00 175.22 174.36 2ce8 s GLN 613 N 3.49 2.99 0.00 0.44 -0.21 -1.26 -1.78 119.66 123.32 2ce8 s GLN 613 Ca 0.38 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 55.29 2ce8 s GLN 613 Cb -0.12 -2.74 0.00 0.00 1.00 0.00 0.00 33.01 31.15 2ce8 s GLN 613 CO 0.19 0.63 0.00 0.41 -2.12 0.00 0.00 175.29 174.40 2ce8 n GLY 614 N 2.34 -1.30 3.59 3.09 0.00 -1.26 -4.91 105.19 106.74 2ce8 n GLY 614 Ca -0.18 0.50 -0.50 0.00 0.00 0.00 0.00 46.02 45.85 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 1.44 0.05 1.61 8.25 -1.25 -4.87 115.22 120.44 2ce8 n HIS 615 Ca 0.00 0.64 0.09 0.00 -0.26 0.00 0.00 57.72 58.20 2ce8 n HIS 615 Cb 0.00 -2.31 0.20 0.00 1.12 0.00 0.00 29.99 29.00 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 1.93 0.67 -4.05 1.59 -2.24 -1.26 -4.53 114.28 106.39 2ce8 n THR 616 Ca 0.16 -0.84 -0.14 0.00 -2.27 0.00 0.00 64.05 60.96 2ce8 n THR 616 Cb 0.23 0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 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 1.17 -1.23 -4.71 3.42 -0.08 -1.26 -4.93 116.55 108.93 2ce8 n ASP 617 Ca 0.17 -2.82 -0.42 0.00 -1.51 0.00 0.00 54.79 50.21 2ce8 n ASP 617 Cb 0.52 2.33 -0.00 0.00 2.34 0.00 0.00 41.12 46.31 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 -0.55 0.66 3.65 0.27 0.00 -1.21 -3.38 105.19 104.63 2ce8 n GLY 618 Ca 0.01 0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.11 3.57 -0.04 4.61 0.00 -0.85 -1.22 121.76 126.71 2ce8 s ALA 619 Ca 0.56 -0.17 0.18 0.00 0.00 0.00 0.00 51.96 52.52 2ce8 s ALA 619 Cb -0.55 -3.12 -0.28 0.00 0.00 0.00 0.00 23.12 19.17 2ce8 s ALA 619 CO 0.62 -0.69 0.36 -1.13 0.00 0.00 0.00 175.76 174.92 2ce8 n SER 620 N 5.38 0.83 -3.84 0.00 3.41 -0.24 -4.34 113.62 114.82 2ce8 n SER 620 Ca 0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.55 2ce8 n SER 620 Cb 0.49 1.74 -0.02 0.00 -0.26 0.00 0.00 64.21 66.15 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 -3.91 0.00 0.25 0.00 2.07 -1.26 -1.87 121.20 116.48 2ce8 s ILE 622 Ca 0.11 0.00 -0.14 0.00 -1.41 0.00 0.00 60.65 59.21 2ce8 s ILE 622 Cb -0.05 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.54 2ce8 s ILE 622 CO 0.06 0.00 0.51 -0.62 -1.91 0.00 0.00 174.94 172.97 2ce8 s ASP 623 N -0.28 -0.09 0.04 4.50 -1.08 -0.03 -4.90 116.67 114.82 2ce8 s ASP 623 Ca 0.02 -0.91 0.06 0.00 -0.52 0.00 0.00 52.55 51.20 2ce8 s ASP 623 Cb -0.03 0.61 -0.03 0.00 -1.46 0.00 0.00 42.92 42.00 2ce8 s ASP 623 CO -0.04 -1.17 -0.14 -0.63 0.52 0.00 0.00 175.17 173.71 2ce8 s ILE 624 N -3.98 3.08 0.76 4.11 1.01 -1.26 -0.63 121.20 124.30 2ce8 s ILE 624 Ca 0.21 -1.10 -0.12 0.00 0.00 0.00 0.00 60.65 59.64 2ce8 s ILE 624 Cb -0.01 -2.33 0.06 0.00 0.01 0.00 0.00 42.46 40.18 2ce8 s ILE 624 CO 0.09 0.32 1.12 -0.94 0.00 0.00 0.00 174.94 175.53 2ce8 s SER 625 N -1.55 4.34 0.52 3.58 1.04 0.11 -4.75 113.70 116.99 2ce8 s SER 625 Ca 0.16 2.00 0.22 0.00 0.48 0.00 0.00 55.95 58.81 2ce8 s SER 625 Cb -0.11 -2.55 1.37 0.00 0.10 0.00 0.00 66.02 64.84 2ce8 s SER 625 CO 0.07 -2.15 2.11 -0.55 0.98 0.00 0.00 173.24 173.70 2ce8 h ASN 626 N -0.86 0.00 -0.14 7.02 -1.07 -1.87 -1.35 115.58 117.32 2ce8 h ASN 626 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.92 2ce8 h ASN 626 Cb 1.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 2ce8 h ASN 626 CO 0.50 0.09 0.00 -0.90 0.07 0.00 0.00 177.43 177.19 2ce8 n ASP 627 N -4.08 1.16 -0.41 6.14 3.85 -1.26 -4.93 116.55 117.03 2ce8 n ASP 627 Ca -0.03 -1.68 -0.05 0.00 -0.71 0.00 0.00 54.79 52.32 2ce8 n ASP 627 Cb 0.17 -0.09 -0.02 0.00 -1.35 0.00 0.00 41.12 39.83 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 1.00 0.66 0.01 6.12 0.00 -0.51 -4.87 105.19 107.59 2ce8 n GLY 628 Ca 0.14 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.43 0.00 -4.66 2.61 -2.24 -1.26 -4.89 114.28 101.41 2ce8 n THR 629 Ca -0.05 -0.33 -0.24 0.00 -2.27 0.00 0.00 64.05 61.16 2ce8 n THR 629 Cb 0.38 0.33 -0.14 0.00 -2.10 0.00 0.00 70.33 68.79 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 -3.16 1.28 -0.03 -0.78 1.02 -1.26 -1.69 119.74 115.12 2ce8 s LYS 630 Ca -0.03 -0.74 -0.03 0.00 0.02 0.00 0.00 55.97 55.19 2ce8 s LYS 630 Cb 0.13 -1.30 -0.04 0.00 -0.52 0.00 0.00 37.83 36.10 2ce8 s LYS 630 CO 0.78 0.34 0.15 -1.17 -0.92 0.00 0.00 175.35 174.53 2ce8 s LEU 631 N -0.79 4.26 -0.07 3.17 2.96 -0.17 -0.71 118.68 127.33 2ce8 s LEU 631 Ca 0.06 0.32 0.03 0.00 -0.22 0.00 0.00 54.13 54.32 2ce8 s LEU 631 Cb -0.07 -2.42 0.01 0.00 0.50 0.00 0.00 46.19 44.20 2ce8 s LEU 631 CO 0.00 0.30 -0.14 0.26 -1.32 0.00 0.00 176.35 175.45 2ce8 s TRP 632 N -1.23 1.65 0.06 5.38 0.52 0.20 -0.94 118.94 124.56 2ce8 s TRP 632 Ca 0.24 -0.62 0.03 0.00 0.02 0.00 0.00 56.10 55.76 2ce8 s TRP 632 Cb -0.12 -1.18 -0.03 0.00 -1.15 0.00 0.00 33.47 30.99 2ce8 s TRP 632 CO 0.15 -0.30 -0.10 0.95 0.02 0.00 0.00 176.95 177.67 2ce8 s THR 633 N 0.61 0.73 0.14 2.01 -4.23 -0.09 -0.85 115.64 113.96 2ce8 s THR 633 Ca -0.15 -1.21 0.10 0.00 -1.18 0.00 0.00 61.69 59.24 2ce8 s THR 633 Cb -0.16 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.81 2ce8 s THR 633 CO 0.05 -0.37 -0.23 -0.83 -0.54 0.00 0.00 174.62 172.70 2ce8 s GLY 634 N -1.74 1.45 0.13 3.99 0.00 -0.78 -1.22 107.32 109.15 2ce8 s GLY 634 Ca -0.06 -1.43 0.01 0.00 0.00 0.00 0.00 44.72 43.25 2ce8 s GLY 634 CO 0.01 -1.44 -0.02 -0.32 0.00 0.00 0.00 173.10 171.33 2ce8 s GLY 635 N -2.23 0.98 0.00 0.20 0.00 0.02 -1.08 107.32 105.21 2ce8 s GLY 635 Ca 0.13 -1.46 0.30 0.00 0.00 0.00 0.00 44.72 43.68 2ce8 s GLY 635 CO 0.06 -1.47 2.01 1.04 0.00 0.00 0.00 173.10 174.74 2ce8 n LEU 636 N -0.13 0.31 -0.84 0.66 4.77 -0.36 -2.03 117.00 119.38 2ce8 n LEU 636 Ca -0.09 0.02 0.04 0.00 -0.03 0.00 0.00 56.01 55.95 2ce8 n LEU 636 Cb 0.62 -0.13 0.15 0.00 -2.33 0.00 0.00 43.42 41.73 2ce8 n LEU 636 CO 0.32 0.05 0.55 -0.90 -1.33 0.00 0.00 177.39 176.08 2ce8 n ASP 637 N -0.94 2.34 -1.31 -1.43 5.75 -1.26 -4.81 116.55 114.89 2ce8 n ASP 637 Ca 0.18 -2.21 -0.14 0.00 -0.01 0.00 0.00 54.79 52.60 2ce8 n ASP 637 Cb 0.22 -0.41 -0.04 0.00 -1.03 0.00 0.00 41.12 39.86 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 -4.55 -4.42 -1.12 4.13 -0.90 -4.93 115.26 103.77 2ce8 n ASN 638 Ca 0.11 0.20 -0.27 0.00 1.68 0.00 0.00 54.58 56.29 2ce8 n ASN 638 Cb 0.47 -3.47 -0.12 0.00 -1.54 0.00 0.00 39.78 35.12 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 -2.60 2.33 -0.10 3.41 -4.23 -1.25 -0.45 115.64 112.74 2ce8 s THR 639 Ca 0.00 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 58.51 2ce8 s THR 639 Cb 0.00 -2.10 -0.03 0.00 1.34 0.00 0.00 72.50 71.71 2ce8 s THR 639 CO 0.00 -0.09 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.23 2ce8 s VAL 640 N -1.58 3.67 -0.01 2.29 1.01 0.24 -0.80 120.40 125.21 2ce8 s VAL 640 Ca 0.20 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.77 2ce8 s VAL 640 Cb -0.08 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 2ce8 s VAL 640 CO 0.09 0.56 -0.20 -0.13 0.00 0.00 0.00 175.10 175.42 2ce8 s ARG 641 N -0.28 1.59 0.05 2.72 0.52 -0.35 -0.49 118.95 122.71 2ce8 s ARG 641 Ca 0.04 -0.72 0.02 0.00 -0.52 0.00 0.00 55.73 54.55 2ce8 s ARG 641 Cb -0.13 -1.55 -0.04 0.00 0.52 0.00 0.00 34.95 33.75 2ce8 s ARG 641 CO 0.02 0.42 0.06 -1.54 0.02 0.00 0.00 175.30 174.29 2ce8 s SER 642 N -0.51 5.45 -0.01 0.23 1.04 -1.15 -0.91 113.70 117.84 2ce8 s SER 642 Ca 0.08 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.51 2ce8 s SER 642 Cb -0.08 -1.46 0.01 0.00 0.10 0.00 0.00 66.02 64.59 2ce8 s SER 642 CO -0.01 0.21 -0.01 0.26 0.98 0.00 0.00 173.24 174.67 2ce8 s TRP 643 N -1.30 0.18 -0.30 5.02 0.52 -0.12 -0.43 118.94 122.51 2ce8 s TRP 643 Ca 0.26 -0.01 -0.29 0.00 0.02 0.00 0.00 56.10 56.08 2ce8 s TRP 643 Cb -0.12 -0.17 0.00 0.00 -1.15 0.00 0.00 33.47 32.03 2ce8 s TRP 643 CO 0.18 -0.03 1.32 0.34 0.02 0.00 0.00 176.95 178.78 2ce8 s ASP 644 N 0.25 6.65 0.42 2.95 -1.08 -0.53 -1.00 116.67 124.34 2ce8 s ASP 644 Ca -0.02 1.22 0.11 0.00 -0.52 0.00 0.00 52.55 53.34 2ce8 s ASP 644 Cb -0.04 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.79 2ce8 s ASP 644 CO -0.01 -1.09 1.98 -0.07 0.52 0.00 0.00 175.17 176.50 2ce8 h LEU 645 N 10.93 0.15 0.08 -1.34 3.38 -1.67 0.22 115.31 127.07 2ce8 h LEU 645 Ca -0.26 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2ce8 h LEU 645 Cb 1.10 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2ce8 h LEU 645 CO 1.03 0.28 -0.04 0.08 0.09 0.00 0.00 178.44 179.88 2ce8 h ARG 646 N 0.16 -0.11 0.00 1.13 0.11 -1.93 -3.38 114.38 110.37 2ce8 h ARG 646 Ca 0.04 0.01 -0.21 0.00 0.10 0.00 0.00 59.98 59.91 2ce8 h ARG 646 Cb 0.28 0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.35 2ce8 h ARG 646 CO 0.02 0.43 -1.26 0.93 0.10 0.00 0.00 179.97 180.19 2ce8 h GLU 647 N -0.78 0.00 0.00 0.08 5.08 -1.95 -3.48 114.58 113.52 2ce8 h GLU 647 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2ce8 h GLU 647 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2ce8 h GLU 647 CO 0.02 0.57 0.00 0.41 -1.00 0.00 0.00 179.01 179.00 2ce8 n GLY 648 N 1.41 0.74 3.90 -3.84 0.00 0.78 -5.06 105.19 103.12 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 1.09 0.00 0.00 0.00 173.32 174.41 2ce8 s ARG 649 N -0.54 3.52 0.21 1.61 1.70 -1.24 -4.81 118.95 119.39 2ce8 s ARG 649 Ca 0.00 -0.20 -0.31 0.00 -0.47 0.00 0.00 55.73 54.75 2ce8 s ARG 649 Cb 0.00 -3.05 -0.10 0.00 -0.57 0.00 0.00 34.95 31.23 2ce8 s ARG 649 CO 0.00 0.63 1.48 -1.14 -1.08 0.00 0.00 175.30 175.19 2ce8 s GLN 650 N -2.02 4.25 -0.18 3.89 0.74 -1.26 -1.46 119.66 123.62 2ce8 s GLN 650 Ca 0.30 2.30 -0.15 0.00 0.05 0.00 0.00 55.36 57.86 2ce8 s GLN 650 Cb -0.13 -3.14 -0.07 0.00 1.10 0.00 0.00 33.01 30.77 2ce8 s GLN 650 CO 0.20 -0.49 -0.32 1.28 -0.55 0.00 0.00 175.29 175.41 2ce8 n LEU 651 N 3.05 1.83 -4.51 3.68 4.77 0.43 -4.90 117.00 121.34 2ce8 n LEU 651 Ca 0.10 0.31 -0.25 0.00 -0.03 0.00 0.00 56.01 56.14 2ce8 n LEU 651 Cb 0.40 -0.71 -0.10 0.00 -2.33 0.00 0.00 43.42 40.67 2ce8 n LEU 651 CO 0.61 -0.05 -0.41 -1.10 -1.33 0.00 0.00 177.39 175.10 2ce8 s GLN 652 N -2.70 1.76 -0.08 3.23 -0.21 -1.23 -4.98 119.66 115.44 2ce8 s GLN 652 Ca -0.29 -1.88 -0.04 0.00 0.02 0.00 0.00 55.36 53.17 2ce8 s GLN 652 Cb 0.07 -1.67 0.04 0.00 1.00 0.00 0.00 33.01 32.44 2ce8 s GLN 652 CO 0.40 0.18 0.20 -1.14 -2.12 0.00 0.00 175.29 172.81 2ce8 s GLN 653 N -3.59 0.16 -0.17 2.91 0.74 -1.26 -2.93 119.66 115.52 2ce8 s GLN 653 Ca 0.31 0.43 -0.00 0.00 0.05 0.00 0.00 55.36 56.15 2ce8 s GLN 653 Cb 0.01 -0.12 0.00 0.00 1.10 0.00 0.00 33.01 34.00 2ce8 s GLN 653 CO 0.16 -0.15 -0.14 -1.01 -0.55 0.00 0.00 175.29 173.59 2ce8 s HIS 654 N 1.08 2.81 -0.21 1.67 3.76 0.35 -4.98 115.29 119.78 2ce8 s HIS 654 Ca -0.08 -1.18 -0.09 0.00 -0.15 0.00 0.00 55.06 53.56 2ce8 s HIS 654 Cb -0.10 -1.94 -0.05 0.00 1.11 0.00 0.00 32.58 31.61 2ce8 s HIS 654 CO -0.06 -0.57 0.11 -0.51 -0.85 0.00 0.00 174.74 172.86 2ce8 s ASP 655 N 1.06 5.90 0.47 1.40 1.01 -1.26 -0.59 116.67 124.67 2ce8 s ASP 655 Ca -0.01 0.10 0.04 0.00 0.71 0.00 0.00 52.55 53.40 2ce8 s ASP 655 Cb -0.15 -2.04 -0.03 0.00 1.01 0.00 0.00 42.92 41.71 2ce8 s ASP 655 CO -0.04 0.12 0.09 -0.36 0.21 0.00 0.00 175.17 175.19 2ce8 s PHE 656 N 0.72 2.13 -2.57 4.23 0.40 0.40 -5.02 117.98 118.28 2ce8 s PHE 656 Ca 0.06 -0.80 0.25 0.00 -0.60 0.00 0.00 56.93 55.84 2ce8 s PHE 656 Cb -0.13 -1.76 0.74 0.00 0.51 0.00 0.00 43.02 42.38 2ce8 s PHE 656 CO 0.02 0.18 1.56 0.25 0.70 0.00 0.00 175.22 177.93 2ce8 n THR 657 N -1.26 0.09 -4.06 0.64 -2.24 -1.26 -4.86 114.28 101.33 2ce8 n THR 657 Ca -0.10 -0.37 -0.11 0.00 -2.27 0.00 0.00 64.05 61.20 2ce8 n THR 657 Cb 0.66 0.75 -0.06 0.00 -2.10 0.00 0.00 70.33 69.58 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 -1.87 0.19 0.44 3.42 1.04 -1.26 -5.04 113.70 110.63 2ce8 s SER 658 Ca 0.35 -1.16 -0.23 0.00 0.48 0.00 0.00 55.95 55.39 2ce8 s SER 658 Cb 0.20 0.56 -0.08 0.00 0.10 0.00 0.00 66.02 66.80 2ce8 s SER 658 CO 0.31 -1.11 1.09 -1.10 0.98 0.00 0.00 173.24 173.41 2ce8 s GLN 659 N -3.83 3.92 -0.15 4.02 -0.21 -1.26 -4.39 119.66 117.76 2ce8 s GLN 659 Ca 0.28 1.57 -0.16 0.00 0.02 0.00 0.00 55.36 57.08 2ce8 s GLN 659 Cb 0.01 -2.38 -0.04 0.00 1.00 0.00 0.00 33.01 31.60 2ce8 s GLN 659 CO 0.12 -0.37 0.37 0.42 -2.12 0.00 0.00 175.29 173.71 2ce8 s ILE 660 N -1.69 5.25 -0.09 1.08 1.09 -0.86 -0.64 121.20 125.34 2ce8 s ILE 660 Ca 0.62 0.70 0.12 0.00 -1.10 0.00 0.00 60.65 61.00 2ce8 s ILE 660 Cb -0.23 -3.71 -0.18 0.00 -1.06 0.00 0.00 42.46 37.28 2ce8 s ILE 660 CO 0.28 0.35 0.14 0.49 -0.10 0.00 0.00 174.94 176.10 2ce8 n PHE 661 N 3.72 0.00 -3.76 3.97 0.99 -0.52 -4.29 117.46 117.58 2ce8 n PHE 661 Ca -0.10 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.24 2ce8 n PHE 661 Cb 0.52 -0.52 -0.07 0.00 -1.00 0.00 0.00 39.48 38.41 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 -4.22 -0.10 0.06 4.37 1.04 -1.15 -4.48 113.70 109.22 2ce8 s SER 662 Ca -0.06 -0.29 -0.27 0.00 0.48 0.00 0.00 55.95 55.82 2ce8 s SER 662 Cb 0.06 0.37 0.07 0.00 0.10 0.00 0.00 66.02 66.62 2ce8 s SER 662 CO 0.55 -0.67 0.67 -1.48 0.98 0.00 0.00 173.24 173.29 2ce8 s LEU 663 N -2.30 -0.58 -0.18 2.42 0.05 -1.26 -0.18 118.68 116.65 2ce8 s LEU 663 Ca -0.02 0.28 -0.15 0.00 0.05 0.00 0.00 54.13 54.29 2ce8 s LEU 663 Cb 0.00 2.50 0.05 0.00 -2.05 0.00 0.00 46.19 46.70 2ce8 s LEU 663 CO -0.06 -0.78 0.47 -0.83 -0.55 0.00 0.00 176.35 174.60 2ce8 s GLY 664 N -2.08 -0.36 -0.23 -3.48 0.00 -0.15 -4.64 107.32 96.37 2ce8 s GLY 664 Ca -0.03 1.42 -0.11 0.00 0.00 0.00 0.00 44.72 46.00 2ce8 s GLY 664 CO -0.04 1.31 0.18 -0.47 0.00 0.00 0.00 173.10 174.08 2ce8 s TYR 665 N 0.53 3.33 0.00 1.90 5.04 -1.26 -1.20 117.35 125.69 2ce8 s TYR 665 Ca -0.02 0.27 -0.33 0.00 -2.44 0.00 0.00 57.07 54.55 2ce8 s TYR 665 Cb -0.04 -2.28 -0.11 0.00 0.35 0.00 0.00 41.96 39.87 2ce8 s TYR 665 CO -0.03 0.08 1.85 0.00 -1.34 0.00 0.00 175.55 176.11 2ce8 n PRO 667 N 6.21 0.13 -0.20 0.00 -0.04 -1.26 -0.43 135.00 139.42 2ce8 n PRO 667 Ca 0.21 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 64.32 2ce8 n PRO 667 Cb 0.33 -1.86 0.22 0.00 -0.04 0.00 0.00 33.50 32.15 2ce8 n PRO 667 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2ce8 n THR 668 N -2.13 0.53 0.00 0.52 -2.24 -1.26 -4.81 114.28 104.90 2ce8 n THR 668 Ca 0.00 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2ce8 n THR 668 Cb 0.10 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 1.51 0.89 3.40 3.38 0.00 0.43 -5.00 105.19 109.80 2ce8 n GLY 669 Ca 0.20 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 1.00 0.00 -4.48 1.61 2.13 -1.26 -4.70 120.64 114.93 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 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 31.55 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 -0.45 1.14 -0.17 4.31 0.52 -1.26 0.05 118.94 123.08 2ce8 s TRP 671 Ca 0.00 -0.32 0.01 0.00 0.02 0.00 0.00 56.10 55.82 2ce8 s TRP 671 Cb 0.00 -0.81 0.01 0.00 -1.15 0.00 0.00 33.47 31.52 2ce8 s TRP 671 CO 0.00 -0.14 -0.20 -1.17 0.02 0.00 0.00 176.95 175.46 2ce8 s LEU 672 N 0.28 2.18 -0.05 2.99 2.96 -0.18 -1.20 118.68 125.65 2ce8 s LEU 672 Ca -0.05 -0.62 -0.13 0.00 -0.22 0.00 0.00 54.13 53.11 2ce8 s LEU 672 Cb -0.10 -1.49 -0.05 0.00 0.50 0.00 0.00 46.19 45.05 2ce8 s LEU 672 CO 0.01 0.03 0.34 0.00 -1.32 0.00 0.00 176.35 175.40 2ce8 s ALA 673 N 1.14 3.72 -0.06 5.97 0.00 -0.34 -0.18 121.76 132.01 2ce8 s ALA 673 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.64 2ce8 s ALA 673 Cb -0.14 -2.30 0.02 0.00 0.00 0.00 0.00 23.12 20.70 2ce8 s ALA 673 CO -0.09 0.46 -0.04 0.08 0.00 0.00 0.00 175.76 176.17 2ce8 s VAL 674 N -0.85 0.57 -0.22 0.00 1.01 0.46 -0.97 120.40 120.40 2ce8 s VAL 674 Ca 0.21 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.98 2ce8 s VAL 674 Cb -0.15 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 2ce8 s VAL 674 CO 0.10 0.26 0.24 -0.83 0.00 0.00 0.00 175.10 174.87 2ce8 s GLY 675 N 1.29 2.03 0.07 4.51 0.00 0.75 -0.90 107.32 115.06 2ce8 s GLY 675 Ca -0.05 -0.74 0.04 0.00 0.00 0.00 0.00 44.72 43.97 2ce8 s GLY 675 CO -0.02 0.51 0.00 1.06 0.00 0.00 0.00 173.10 174.65 2ce8 s MET 676 N 1.06 2.62 0.50 2.90 1.00 -0.52 -1.44 119.30 125.42 2ce8 s MET 676 Ca 0.12 -0.78 0.23 0.00 0.00 0.00 0.00 55.69 55.26 2ce8 s MET 676 Cb -0.14 -2.58 1.31 0.00 0.00 0.00 0.00 34.83 33.42 2ce8 s MET 676 CO 0.05 0.56 1.98 1.49 0.00 0.00 0.00 175.02 179.10 2ce8 h GLU 677 N 3.65 0.11 0.00 2.03 4.22 -1.18 -1.35 114.58 122.05 2ce8 h GLU 677 Ca -0.48 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.96 2ce8 h GLU 677 Cb 1.17 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2ce8 h GLU 677 CO 0.60 0.07 0.00 -1.13 -2.18 0.00 0.00 179.01 176.37 2ce8 n SER 678 N -4.40 0.26 0.00 1.04 3.41 -1.26 -3.58 113.62 109.08 2ce8 n SER 678 Ca 0.11 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 2ce8 n SER 678 Cb 0.58 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2ce8 n SER 678 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ce8 n SER 679 N -1.81 0.00 -4.80 4.04 3.41 -0.74 -4.88 113.62 108.85 2ce8 n SER 679 Ca 0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.28 2ce8 n SER 679 Cb 0.12 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.03 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 -2.52 6.43 -0.18 4.04 0.02 -1.26 -4.13 114.94 117.34 2ce8 s ASN 680 Ca 0.00 1.93 -0.08 0.00 -1.02 0.00 0.00 52.86 53.69 2ce8 s ASN 680 Cb 0.00 -2.56 -0.04 0.00 0.02 0.00 0.00 41.25 38.67 2ce8 s ASN 680 CO 0.00 -0.72 0.08 -0.69 0.02 0.00 0.00 177.10 175.79 2ce8 s VAL 681 N -1.95 4.95 -0.18 1.60 1.01 -0.74 -1.44 120.40 123.64 2ce8 s VAL 681 Ca 0.66 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.63 2ce8 s VAL 681 Cb -0.16 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 2ce8 s VAL 681 CO 0.20 0.47 -0.05 -1.61 0.00 0.00 0.00 175.10 174.10 2ce8 s GLU 682 N 0.28 3.49 -0.49 2.72 0.41 -0.08 -1.11 118.70 123.92 2ce8 s GLU 682 Ca 0.05 -0.60 -0.09 0.00 -0.41 0.00 0.00 54.97 53.92 2ce8 s GLU 682 Cb -0.12 -2.91 0.12 0.00 -1.78 0.00 0.00 34.13 29.44 2ce8 s GLU 682 CO -0.00 0.03 0.36 0.08 -0.49 0.00 0.00 175.26 175.24 2ce8 s VAL 683 N 0.88 4.18 0.04 2.63 1.01 0.63 -0.40 120.40 129.36 2ce8 s VAL 683 Ca -0.01 -1.89 -0.27 0.00 0.00 0.00 0.00 61.98 59.81 2ce8 s VAL 683 Cb -0.15 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 2ce8 s VAL 683 CO 0.01 -0.79 0.86 -0.76 0.00 0.00 0.00 175.10 174.43 2ce8 s LEU 684 N 1.24 4.43 -0.47 3.92 1.43 0.74 -0.95 118.68 129.02 2ce8 s LEU 684 Ca 0.07 1.56 -0.29 0.00 -1.03 0.00 0.00 54.13 54.44 2ce8 s LEU 684 Cb -0.25 -3.39 0.03 0.00 0.03 0.00 0.00 46.19 42.61 2ce8 s LEU 684 CO -0.01 -0.09 1.15 -2.28 0.23 0.00 0.00 176.35 175.35 2ce8 s HIS 685 N 0.31 2.80 0.11 0.29 5.65 -1.03 -1.01 115.29 122.41 2ce8 s HIS 685 Ca 0.44 0.73 -0.31 0.00 0.25 0.00 0.00 55.06 56.16 2ce8 s HIS 685 Cb -0.21 -4.41 -0.11 0.00 -1.18 0.00 0.00 32.58 26.67 2ce8 s HIS 685 CO 0.25 -1.30 1.85 0.28 -0.65 0.00 0.00 174.74 175.18 2ce8 n VAL 686 N 6.83 0.41 -0.74 0.89 0.31 0.11 -1.28 118.33 124.86 2ce8 n VAL 686 Ca 0.12 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2ce8 n VAL 686 Cb 0.49 -2.13 0.00 0.00 -0.91 0.00 0.00 33.84 31.29 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 5.86 0.00 -4.33 4.52 3.02 -1.26 -4.98 115.26 118.10 2ce8 n ASN 687 Ca 0.18 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.50 2ce8 n ASN 687 Cb 0.37 -0.39 -0.12 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.14 1.25 0.00 3.52 1.02 -0.41 -5.06 119.74 119.93 2ce8 s LYS 688 Ca 0.00 -1.33 0.24 0.00 0.02 0.00 0.00 55.97 54.90 2ce8 s LYS 688 Cb 0.00 -1.43 1.06 0.00 -0.52 0.00 0.00 37.83 36.94 2ce8 s LYS 688 CO 0.00 0.31 1.79 -0.35 -0.92 0.00 0.00 175.35 176.18 2ce8 n PRO 689 N 0.60 0.02 -3.16 -1.68 -0.04 -1.26 -4.57 135.00 124.91 2ce8 n PRO 689 Ca -0.16 0.08 -0.21 0.00 -0.04 0.00 0.00 63.50 63.17 2ce8 n PRO 689 Cb 0.55 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.52 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 -2.97 5.88 0.33 3.54 -4.77 -1.26 -4.31 116.67 113.11 2ce8 s ASP 690 Ca 0.13 0.12 -0.18 0.00 -3.30 0.00 0.00 52.55 49.32 2ce8 s ASP 690 Cb 0.16 -1.43 0.04 0.00 -1.09 0.00 0.00 42.92 40.60 2ce8 s ASP 690 CO 0.44 -0.60 0.74 -1.59 0.70 0.00 0.00 175.17 174.86 2ce8 s LYS 691 N -4.42 2.00 -0.02 2.11 -2.85 -0.73 -2.45 119.74 113.38 2ce8 s LYS 691 Ca 0.47 -1.23 0.05 0.00 -1.00 0.00 0.00 55.97 54.26 2ce8 s LYS 691 Cb -0.10 0.61 -0.03 0.00 -2.06 0.00 0.00 37.83 36.25 2ce8 s LYS 691 CO 0.35 -0.92 -0.16 0.71 0.10 0.00 0.00 175.35 175.43 2ce8 s TYR 692 N -3.14 2.63 -0.12 1.78 1.51 -0.12 -0.71 117.35 119.19 2ce8 s TYR 692 Ca 0.14 -0.21 0.03 0.00 -1.01 0.00 0.00 57.07 56.02 2ce8 s TYR 692 Cb -0.05 -1.57 0.01 0.00 -0.11 0.00 0.00 41.96 40.23 2ce8 s TYR 692 CO 0.09 0.19 -0.21 -0.65 -1.11 0.00 0.00 175.55 173.87 2ce8 s GLN 693 N -0.94 2.78 -0.10 -0.62 -0.21 0.19 -0.27 119.66 120.50 2ce8 s GLN 693 Ca 0.12 -0.77 0.04 0.00 0.02 0.00 0.00 55.36 54.77 2ce8 s GLN 693 Cb -0.11 -2.22 -0.00 0.00 1.00 0.00 0.00 33.01 31.68 2ce8 s GLN 693 CO 0.02 0.03 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.48 2ce8 s LEU 694 N 0.70 2.13 -0.60 2.90 1.43 -0.27 -1.05 118.68 123.93 2ce8 s LEU 694 Ca -0.11 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.50 2ce8 s LEU 694 Cb -0.16 -1.42 0.17 0.00 0.03 0.00 0.00 46.19 44.81 2ce8 s LEU 694 CO 0.02 0.17 0.45 1.41 0.23 0.00 0.00 176.35 178.63 2ce8 n HIS 695 N 3.47 1.75 -1.19 0.29 8.25 0.40 -1.79 115.22 126.40 2ce8 n HIS 695 Ca -0.19 -3.95 0.03 0.00 -0.26 0.00 0.00 57.72 53.35 2ce8 n HIS 695 Cb 0.53 -0.31 0.04 0.00 1.12 0.00 0.00 29.99 31.37 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 2.21 0.96 -4.49 2.41 4.77 -1.26 -4.79 117.00 116.81 2ce8 n LEU 696 Ca 0.24 -1.49 -0.29 0.00 -0.03 0.00 0.00 56.01 54.43 2ce8 n LEU 696 Cb 0.40 -0.11 -0.11 0.00 -2.33 0.00 0.00 43.42 41.26 2ce8 n LEU 696 CO 0.21 0.36 -0.49 -1.00 -1.33 0.00 0.00 177.39 175.13 2ce8 s HIS 697 N -0.92 2.52 -0.87 -1.77 3.76 -1.26 -5.02 115.29 111.72 2ce8 s HIS 697 Ca 0.08 -0.27 0.20 0.00 -0.15 0.00 0.00 55.06 54.92 2ce8 s HIS 697 Cb 0.07 -1.34 -0.22 0.00 1.11 0.00 0.00 32.58 32.20 2ce8 s HIS 697 CO 0.01 0.39 0.82 0.39 -0.85 0.00 0.00 174.74 175.49 2ce8 n GLU 698 N 0.78 0.44 -2.48 1.40 1.02 -1.26 -4.85 120.64 115.69 2ce8 n GLU 698 Ca -0.16 -0.01 -0.04 0.00 -0.02 0.00 0.00 57.16 56.93 2ce8 n GLU 698 Cb 0.53 -1.44 -0.02 0.00 -0.02 0.00 0.00 31.44 30.49 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 -1.52 0.15 -4.51 1.62 2.88 -1.26 -4.94 113.62 106.04 2ce8 n SER 699 Ca 0.03 -1.47 -0.51 0.00 -1.33 0.00 0.00 58.87 55.59 2ce8 n SER 699 Cb 0.33 0.32 -0.05 0.00 -0.75 0.00 0.00 64.21 64.06 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 -0.36 4.22 -0.04 0.00 1.01 -0.59 -1.85 120.40 122.79 2ce8 s VAL 701 Ca 0.76 0.10 0.12 0.00 0.00 0.00 0.00 61.98 62.95 2ce8 s VAL 701 Cb -0.98 -4.67 -0.08 0.00 0.00 0.00 0.00 36.38 30.64 2ce8 s VAL 701 CO 0.55 -1.39 1.25 -0.07 0.00 0.00 0.00 175.10 175.43 2ce8 h LEU 702 N 11.54 0.00 -7.38 3.92 3.38 -1.19 -3.37 115.31 122.21 2ce8 h LEU 702 Ca -0.27 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 2ce8 h LEU 702 Cb 1.07 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.65 2ce8 h LEU 702 CO 1.16 0.73 -0.11 -0.94 0.09 0.00 0.00 178.44 179.38 2ce8 s SER 703 N -6.44 -0.28 0.06 -0.43 1.04 -1.19 -4.50 113.70 101.97 2ce8 s SER 703 Ca 0.01 -0.03 -0.17 0.00 0.48 0.00 0.00 55.95 56.24 2ce8 s SER 703 Cb 0.09 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.67 2ce8 s SER 703 CO 0.79 -0.68 0.39 -1.48 0.98 0.00 0.00 173.24 173.24 2ce8 s LEU 704 N -2.07 0.48 -0.24 2.42 0.05 -1.26 -0.91 118.68 117.14 2ce8 s LEU 704 Ca -0.05 -0.11 -0.14 0.00 0.05 0.00 0.00 54.13 53.89 2ce8 s LEU 704 Cb -0.01 1.70 0.07 0.00 -2.05 0.00 0.00 46.19 45.91 2ce8 s LEU 704 CO -0.03 -0.70 0.59 -0.75 -0.55 0.00 0.00 176.35 174.91 2ce8 s LYS 705 N -2.83 0.60 0.30 1.48 2.47 -0.38 -4.75 119.74 116.63 2ce8 s LYS 705 Ca -0.03 1.08 -0.29 0.00 -1.56 0.00 0.00 55.97 55.18 2ce8 s LYS 705 Cb -0.00 0.10 -0.09 0.00 -1.46 0.00 0.00 37.83 36.38 2ce8 s LYS 705 CO -0.05 -0.15 1.08 -0.06 0.16 0.00 0.00 175.35 176.32 2ce8 s PHE 706 N 1.59 3.56 0.69 4.03 0.40 -1.26 -1.11 117.98 125.89 2ce8 s PHE 706 Ca -0.10 1.71 -0.17 0.00 -0.60 0.00 0.00 56.93 57.78 2ce8 s PHE 706 Cb -0.06 -3.23 0.01 0.00 0.51 0.00 0.00 43.02 40.25 2ce8 s PHE 706 CO -0.17 -0.47 1.25 0.00 0.70 0.00 0.00 175.22 176.53 2ce8 n ALA 707 N 1.00 0.79 0.24 5.36 0.00 -0.42 -4.90 120.51 122.57 2ce8 n ALA 707 Ca -0.00 -0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.42 2ce8 n ALA 707 Cb 0.46 -2.30 0.59 0.00 0.00 0.00 0.00 19.45 18.20 2ce8 n ALA 707 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2ce8 h TYR 708 N 0.13 0.00 0.00 0.00 -1.99 -1.88 -0.58 116.97 112.65 2ce8 h TYR 708 Ca -0.50 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.23 2ce8 h TYR 708 Cb 1.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.06 2ce8 h TYR 708 CO 0.42 0.15 0.00 0.00 -0.00 0.00 0.00 178.16 178.73 2ce8 n GLY 710 N 0.63 2.36 0.03 0.00 0.00 -0.23 -4.73 105.19 103.26 2ce8 n GLY 710 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 0.06 -3.82 1.61 5.02 -1.26 -4.65 118.16 113.12 2ce8 n LYS 711 Ca 0.00 0.09 -0.09 0.00 -2.02 0.00 0.00 58.31 56.29 2ce8 n LYS 711 Cb 0.00 -1.58 -0.04 0.00 -0.02 0.00 0.00 35.03 33.39 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 -3.03 -0.00 0.20 2.13 1.48 -1.26 -1.25 118.94 117.20 2ce8 s TRP 712 Ca 0.12 -0.36 -0.14 0.00 -1.06 0.00 0.00 56.10 54.66 2ce8 s TRP 712 Cb 0.16 0.37 0.01 0.00 -1.16 0.00 0.00 33.47 32.85 2ce8 s TRP 712 CO 0.51 -0.97 0.45 -0.59 -4.06 0.00 0.00 176.95 172.29 2ce8 s PHE 713 N -3.91 0.13 0.16 1.66 -0.12 -0.20 -1.31 117.98 114.38 2ce8 s PHE 713 Ca 0.13 -0.48 0.09 0.00 -0.05 0.00 0.00 56.93 56.61 2ce8 s PHE 713 Cb -0.01 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 2ce8 s PHE 713 CO 0.01 -0.88 -0.20 0.14 -0.05 0.00 0.00 175.22 174.24 2ce8 s VAL 714 N -3.93 1.89 0.08 -2.49 -7.23 -0.27 0.20 120.40 108.66 2ce8 s VAL 714 Ca 0.14 -1.86 0.04 0.00 -1.81 0.00 0.00 61.98 58.49 2ce8 s VAL 714 Cb 0.00 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 2ce8 s VAL 714 CO 0.01 -0.23 -0.12 -0.94 -0.31 0.00 0.00 175.10 173.51 2ce8 s SER 715 N -2.51 1.57 0.06 4.85 1.04 0.03 -1.25 113.70 117.50 2ce8 s SER 715 Ca 0.15 -0.70 0.05 0.00 0.48 0.00 0.00 55.95 55.93 2ce8 s SER 715 Cb -0.07 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.00 2ce8 s SER 715 CO 0.07 -0.16 -0.15 0.42 0.98 0.00 0.00 173.24 174.40 2ce8 s THR 716 N -1.79 1.20 0.15 2.02 -4.23 -0.09 -0.50 115.64 112.41 2ce8 s THR 716 Ca 0.01 -1.24 0.05 0.00 -1.18 0.00 0.00 61.69 59.34 2ce8 s THR 716 Cb -0.07 -1.12 -0.04 0.00 1.34 0.00 0.00 72.50 72.60 2ce8 s THR 716 CO 0.02 -0.12 -0.12 -0.83 -0.54 0.00 0.00 174.62 173.03 2ce8 s GLY 717 N -1.56 1.14 0.64 3.99 0.00 -0.73 -0.73 107.32 110.06 2ce8 s GLY 717 Ca 0.00 -1.49 0.36 0.00 0.00 0.00 0.00 44.72 43.60 2ce8 s GLY 717 CO 0.02 -1.58 2.24 1.70 0.00 0.00 0.00 173.10 175.48 2ce8 h LYS 718 N 2.86 0.00 0.00 2.90 3.64 -1.57 0.13 116.57 124.53 2ce8 h LYS 718 Ca -0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 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 0.61 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.39 2ce8 n ASP 719 N -3.37 0.00 0.00 4.20 5.75 -1.26 -4.24 116.55 117.63 2ce8 n ASP 719 Ca -0.02 -1.53 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 2ce8 n ASP 719 Cb 0.16 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 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 -0.72 0.00 -4.86 -1.12 5.03 -0.52 -4.93 115.26 108.14 2ce8 n ASN 720 Ca 0.11 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.18 2ce8 n ASN 720 Cb 0.05 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.75 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 4.43 -0.32 3.41 1.43 -1.25 -0.80 118.68 125.58 2ce8 s LEU 721 Ca 0.00 0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 53.69 2ce8 s LEU 721 Cb 0.00 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 2ce8 s LEU 721 CO 0.00 0.37 0.20 -0.22 0.23 0.00 0.00 176.35 176.93 2ce8 s LEU 722 N -1.05 4.27 -0.17 1.79 2.96 -0.09 -1.77 118.68 124.60 2ce8 s LEU 722 Ca 0.19 -0.38 -0.06 0.00 -0.22 0.00 0.00 54.13 53.67 2ce8 s LEU 722 Cb -0.14 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 2ce8 s LEU 722 CO 0.08 -0.18 0.02 0.20 -1.32 0.00 0.00 176.35 175.15 2ce8 s ASN 723 N 1.69 5.23 -0.13 3.68 0.01 0.34 -1.45 114.94 124.31 2ce8 s ASN 723 Ca 0.06 -0.03 -0.09 0.00 -0.71 0.00 0.00 52.86 52.09 2ce8 s ASN 723 Cb -0.17 -1.88 -0.04 0.00 0.41 0.00 0.00 41.25 39.56 2ce8 s ASN 723 CO 0.09 0.16 0.19 0.00 -1.51 0.00 0.00 177.10 176.03 2ce8 s ALA 724 N 0.44 3.78 -0.01 0.60 0.00 -0.25 -0.79 121.76 125.53 2ce8 s ALA 724 Ca 0.00 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.40 2ce8 s ALA 724 Cb -0.13 -2.11 -0.00 0.00 0.00 0.00 0.00 23.12 20.87 2ce8 s ALA 724 CO 0.02 0.44 -0.08 -1.58 0.00 0.00 0.00 175.76 174.55 2ce8 s TRP 725 N -0.55 0.81 0.25 0.00 0.52 0.13 -0.94 118.94 119.16 2ce8 s TRP 725 Ca 0.15 -0.17 -0.30 0.00 0.02 0.00 0.00 56.10 55.80 2ce8 s TRP 725 Cb -0.12 -0.54 -0.09 0.00 -1.15 0.00 0.00 33.47 31.56 2ce8 s TRP 725 CO 0.04 -0.04 1.15 0.50 0.02 0.00 0.00 176.95 178.61 2ce8 s ARG 726 N -0.06 4.57 0.15 4.98 6.06 0.42 -1.04 118.95 134.03 2ce8 s ARG 726 Ca 0.01 1.86 -0.24 0.00 -2.50 0.00 0.00 55.73 54.86 2ce8 s ARG 726 Cb -0.05 -3.20 -0.08 0.00 0.06 0.00 0.00 34.95 31.69 2ce8 s ARG 726 CO -0.00 0.08 0.75 0.99 -2.50 0.00 0.00 175.30 174.62 2ce8 s THR 727 N -0.80 4.43 -0.39 4.11 2.01 -0.38 -0.78 115.64 123.83 2ce8 s THR 727 Ca 0.47 1.64 0.23 0.00 0.31 0.00 0.00 61.69 64.34 2ce8 s THR 727 Cb -0.33 -4.11 -0.08 0.00 0.01 0.00 0.00 72.50 67.99 2ce8 s THR 727 CO 0.41 0.52 1.00 -0.81 -0.69 0.00 0.00 174.62 175.04 2ce8 n PRO 728 N 1.65 0.46 0.00 4.92 -0.04 -1.26 -4.86 135.00 135.88 2ce8 n PRO 728 Ca -0.06 0.03 0.14 0.00 -0.04 0.00 0.00 63.50 63.57 2ce8 n PRO 728 Cb 0.49 -1.68 0.54 0.00 -0.04 0.00 0.00 33.50 32.81 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 -2.29 0.00 -2.65 0.54 0.18 -1.21 -4.87 117.16 106.86 2ce8 n TYR 729 Ca 0.01 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.75 2ce8 n TYR 729 Cb 0.50 -0.11 0.01 0.00 -0.38 0.00 0.00 39.34 39.36 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 1.26 0.69 3.77 -7.48 0.00 0.04 -4.73 105.19 98.74 2ce8 n GLY 730 Ca 0.15 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.05 3.33 -0.47 4.61 0.00 -1.26 -4.66 121.76 120.27 2ce8 s ALA 731 Ca 0.09 1.06 -0.24 0.00 0.00 0.00 0.00 51.96 52.86 2ce8 s ALA 731 Cb -0.04 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.71 2ce8 s ALA 731 CO 0.12 -0.49 0.86 0.45 0.00 0.00 0.00 175.76 176.70 2ce8 s SER 732 N -0.85 6.44 -0.00 0.00 0.15 -1.26 -0.44 113.70 117.73 2ce8 s SER 732 Ca 0.52 -0.05 -0.13 0.00 0.70 0.00 0.00 55.95 56.98 2ce8 s SER 732 Cb -0.34 -2.42 -0.33 0.00 -1.71 0.00 0.00 66.02 61.22 2ce8 s SER 732 CO 0.44 -1.01 0.85 0.40 1.20 0.00 0.00 173.24 175.12 2ce8 h ILE 733 N 6.03 1.13 -2.58 6.45 2.04 -1.38 -3.48 117.51 125.70 2ce8 h ILE 733 Ca -0.25 -2.63 0.06 0.00 1.00 0.00 0.00 64.86 63.04 2ce8 h ILE 733 Cb 1.08 2.91 -0.14 0.00 -0.74 0.00 0.00 36.82 39.93 2ce8 h ILE 733 CO 1.00 0.84 0.37 0.72 0.00 0.00 0.00 178.15 181.08 2ce8 s PHE 734 N -2.59 -0.42 -0.00 1.37 -0.12 -1.24 -4.86 117.98 110.11 2ce8 s PHE 734 Ca -0.12 0.25 0.01 0.00 -0.05 0.00 0.00 56.93 57.03 2ce8 s PHE 734 Cb 0.05 0.55 -0.00 0.00 -0.63 0.00 0.00 43.02 42.98 2ce8 s PHE 734 CO 0.90 -0.68 -0.04 -0.65 -0.05 0.00 0.00 175.22 174.70 2ce8 s GLN 735 N -3.39 0.35 -0.11 1.99 -0.21 -1.26 -1.09 119.66 115.94 2ce8 s GLN 735 Ca 0.03 -0.15 0.01 0.00 0.02 0.00 0.00 55.36 55.28 2ce8 s GLN 735 Cb -0.01 -0.33 0.02 0.00 1.00 0.00 0.00 33.01 33.68 2ce8 s GLN 735 CO -0.10 0.09 -0.13 0.45 -2.12 0.00 0.00 175.29 173.47 2ce8 s SER 736 N -0.10 2.31 -0.33 5.90 0.15 -0.53 -5.01 113.70 116.10 2ce8 s SER 736 Ca 0.02 -0.39 -0.13 0.00 0.70 0.00 0.00 55.95 56.15 2ce8 s SER 736 Cb -0.02 -1.01 -0.02 0.00 -1.71 0.00 0.00 66.02 63.26 2ce8 s SER 736 CO -0.00 -0.01 0.26 -0.75 1.20 0.00 0.00 173.24 173.93 2ce8 s LYS 737 N 1.13 3.62 0.68 5.44 2.47 -1.26 -0.92 119.74 130.90 2ce8 s LYS 737 Ca -0.04 -0.51 0.04 0.00 -1.56 0.00 0.00 55.97 53.90 2ce8 s LYS 737 Cb -0.14 -3.77 0.12 0.00 -1.46 0.00 0.00 37.83 32.58 2ce8 s LYS 737 CO -0.03 -0.40 0.94 -1.21 0.16 0.00 0.00 175.35 174.81 2ce8 s GLU 738 N 1.80 1.83 0.14 4.03 2.02 0.02 -5.01 118.70 123.53 2ce8 s GLU 738 Ca 0.08 -1.43 0.27 0.00 0.02 0.00 0.00 54.97 53.91 2ce8 s GLU 738 Cb -0.17 -2.46 0.94 0.00 0.10 0.00 0.00 34.13 32.55 2ce8 s GLU 738 CO 0.11 -1.29 1.82 -1.13 0.02 0.00 0.00 175.26 174.78 2ce8 n SER 739 N -2.64 0.55 -3.08 -0.19 3.41 -1.26 -4.88 113.62 105.52 2ce8 n SER 739 Ca 0.17 0.54 -0.09 0.00 -0.26 0.00 0.00 58.87 59.23 2ce8 n SER 739 Cb 0.61 -0.68 0.02 0.00 -0.26 0.00 0.00 64.21 63.90 2ce8 n SER 739 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ce8 s SER 740 N -4.02 -0.02 0.25 4.04 0.15 -1.26 -4.96 113.70 107.87 2ce8 s SER 740 Ca 0.12 -1.07 -0.29 0.00 0.70 0.00 0.00 55.95 55.41 2ce8 s SER 740 Cb 0.15 0.83 -0.15 0.00 -1.71 0.00 0.00 66.02 65.14 2ce8 s SER 740 CO 0.58 -1.63 0.92 -1.20 1.20 0.00 0.00 173.24 173.10 2ce8 n SER 741 N -1.26 0.68 -4.29 5.45 7.64 -1.26 -4.15 113.62 116.43 2ce8 n SER 741 Ca -0.08 1.16 -0.39 0.00 1.01 0.00 0.00 58.87 60.58 2ce8 n SER 741 Cb 0.60 -1.19 -0.12 0.00 -1.01 0.00 0.00 64.21 62.49 2ce8 n SER 741 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2ce8 s VAL 742 N -0.90 4.04 -0.21 0.44 1.01 -0.08 -0.84 120.40 123.87 2ce8 s VAL 742 Ca 0.63 -1.17 0.20 0.00 0.00 0.00 0.00 61.98 61.63 2ce8 s VAL 742 Cb -0.79 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 2ce8 s VAL 742 CO 0.58 -0.29 1.06 -0.07 0.00 0.00 0.00 175.10 176.38 2ce8 h LEU 743 N 8.31 0.00 -7.10 3.92 4.07 -1.01 -3.30 115.31 120.19 2ce8 h LEU 743 Ca -0.23 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.70 2ce8 h LEU 743 Cb 1.09 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.70 2ce8 h LEU 743 CO 0.66 0.25 0.13 -0.94 -1.08 0.00 0.00 178.44 177.47 2ce8 s SER 744 N -5.71 -0.48 0.19 -0.43 1.04 -1.22 -4.42 113.70 102.68 2ce8 s SER 744 Ca -0.00 -0.07 -0.16 0.00 0.48 0.00 0.00 55.95 56.20 2ce8 s SER 744 Cb 0.09 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.79 2ce8 s SER 744 CO 0.78 -0.93 0.48 0.00 0.98 0.00 0.00 173.24 174.55 2ce8 s ASP 746 N -2.90 -0.03 0.01 0.00 2.15 -0.15 -4.73 116.67 111.02 2ce8 s ASP 746 Ca 0.12 -0.59 0.05 0.00 0.43 0.00 0.00 52.55 52.55 2ce8 s ASP 746 Cb -0.00 0.42 -0.02 0.00 -0.30 0.00 0.00 42.92 43.02 2ce8 s ASP 746 CO -0.01 -0.83 -0.17 -0.63 -0.17 0.00 0.00 175.17 173.35 2ce8 s ILE 747 N -3.87 1.33 0.84 4.11 1.01 -1.26 -1.39 121.20 121.95 2ce8 s ILE 747 Ca 0.08 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.76 2ce8 s ILE 747 Cb 0.03 -1.13 0.09 0.00 0.01 0.00 0.00 42.46 41.46 2ce8 s ILE 747 CO -0.08 0.27 1.09 -0.94 0.00 0.00 0.00 174.94 175.28 2ce8 s SER 748 N -0.68 4.09 0.61 3.58 1.04 0.07 -4.90 113.70 117.52 2ce8 s SER 748 Ca 0.06 1.39 0.36 0.00 0.48 0.00 0.00 55.95 58.24 2ce8 s SER 748 Cb -0.07 -2.10 2.03 0.00 0.10 0.00 0.00 66.02 65.98 2ce8 s SER 748 CO 0.00 -2.23 2.28 -0.37 0.98 0.00 0.00 173.24 173.89 2ce8 h VAL 749 N -1.27 0.28 -0.50 5.02 -1.51 -1.92 -1.26 116.25 115.09 2ce8 h VAL 749 Ca -0.48 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 2ce8 h VAL 749 Cb 1.27 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 2ce8 h VAL 749 CO 0.57 0.01 0.00 -0.90 -1.23 0.00 0.00 177.57 176.03 2ce8 n ASP 750 N -3.45 3.38 -1.24 4.19 5.75 -1.26 -4.83 116.55 119.09 2ce8 n ASP 750 Ca -0.03 -1.97 -0.16 0.00 -0.01 0.00 0.00 54.79 52.62 2ce8 n ASP 750 Cb 0.11 -0.33 -0.07 0.00 -1.03 0.00 0.00 41.12 39.80 2ce8 n ASP 750 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2ce8 n ASP 751 N 1.12 -4.91 0.03 -1.12 8.00 -0.47 -4.89 116.55 114.30 2ce8 n ASP 751 Ca 0.18 0.38 -0.01 0.00 0.71 0.00 0.00 54.79 56.05 2ce8 n ASP 751 Cb 0.52 -3.83 -0.08 0.00 -0.02 0.00 0.00 41.12 37.71 2ce8 n ASP 751 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2ce8 h LYS 752 N 0.00 0.00 -5.64 -1.24 3.64 -1.90 -3.44 116.57 107.99 2ce8 h LYS 752 Ca -0.33 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.59 2ce8 h LYS 752 Cb 1.05 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.67 2ce8 h LYS 752 CO 0.48 0.35 -0.79 0.71 -2.27 0.00 0.00 179.45 177.93 2ce8 s TYR 753 N -2.88 1.47 -0.05 1.91 1.51 -1.26 -0.25 117.35 117.80 2ce8 s TYR 753 Ca -0.03 -0.48 0.04 0.00 -1.01 0.00 0.00 57.07 55.59 2ce8 s TYR 753 Cb 0.09 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 41.14 2ce8 s TYR 753 CO 0.81 0.15 -0.15 0.42 -1.11 0.00 0.00 175.55 175.66 2ce8 s ILE 754 N -1.57 1.28 -0.05 2.71 1.01 -0.58 -0.75 121.20 123.26 2ce8 s ILE 754 Ca 0.05 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.13 2ce8 s ILE 754 Cb -0.08 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 2ce8 s ILE 754 CO 0.03 0.38 -0.19 -0.69 0.00 0.00 0.00 174.94 174.47 2ce8 s VAL 755 N 0.22 2.58 0.07 2.92 1.01 -0.49 -0.39 120.40 126.32 2ce8 s VAL 755 Ca -0.07 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.10 2ce8 s VAL 755 Cb -0.12 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 2ce8 s VAL 755 CO 0.03 0.58 -0.22 0.42 0.00 0.00 0.00 175.10 175.90 2ce8 s THR 756 N -0.47 1.77 -0.14 3.92 -4.23 -0.30 -0.97 115.64 115.22 2ce8 s THR 756 Ca 0.06 -1.35 -0.05 0.00 -1.18 0.00 0.00 61.69 59.16 2ce8 s THR 756 Cb -0.12 -1.56 -0.04 0.00 1.34 0.00 0.00 72.50 72.13 2ce8 s THR 756 CO 0.01 0.14 0.05 -0.83 -0.54 0.00 0.00 174.62 173.45 2ce8 s GLY 757 N -1.45 1.93 0.08 3.99 0.00 -0.26 -1.10 107.32 110.51 2ce8 s GLY 757 Ca 0.08 -0.75 0.07 0.00 0.00 0.00 0.00 44.72 44.12 2ce8 s GLY 757 CO 0.03 -0.25 -0.13 -0.45 0.00 0.00 0.00 173.10 172.30 2ce8 s SER 758 N -0.34 4.22 0.00 1.64 0.15 0.38 -0.47 113.70 119.28 2ce8 s SER 758 Ca 0.08 -0.39 0.13 0.00 0.70 0.00 0.00 55.95 56.48 2ce8 s SER 758 Cb -0.12 -0.78 0.56 0.00 -1.71 0.00 0.00 66.02 63.97 2ce8 s SER 758 CO 0.02 0.21 1.42 0.61 1.20 0.00 0.00 173.24 176.70 2ce8 n GLY 759 N 1.03 -0.95 1.28 9.45 0.00 -0.02 -2.00 105.19 113.98 2ce8 n GLY 759 Ca -0.15 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.51 3.55 -1.89 1.61 8.00 -1.26 -4.79 116.55 120.25 2ce8 n ASP 760 Ca 0.03 -2.53 -0.11 0.00 0.71 0.00 0.00 54.79 52.90 2ce8 n ASP 760 Cb 0.15 -0.61 0.04 0.00 -0.02 0.00 0.00 41.12 40.68 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 0.29 -3.56 -3.79 -1.24 5.02 -0.85 -4.93 118.16 109.10 2ce8 n LYS 761 Ca 0.16 0.38 -0.09 0.00 -2.02 0.00 0.00 58.31 56.74 2ce8 n LYS 761 Cb 0.79 -4.05 -0.04 0.00 -0.02 0.00 0.00 35.03 31.71 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 -5.57 1.43 0.21 1.97 -2.85 -1.25 -0.64 119.74 113.04 2ce8 s LYS 762 Ca 0.26 -0.93 0.10 0.00 -1.00 0.00 0.00 55.97 54.40 2ce8 s LYS 762 Cb -0.11 0.52 -0.04 0.00 -2.06 0.00 0.00 37.83 36.13 2ce8 s LYS 762 CO 0.32 -0.61 -0.14 0.00 0.10 0.00 0.00 175.35 175.03 2ce8 s ALA 763 N -3.90 2.84 -0.08 0.59 0.00 -0.35 -0.47 121.76 120.39 2ce8 s ALA 763 Ca 0.11 -1.61 0.03 0.00 0.00 0.00 0.00 51.96 50.50 2ce8 s ALA 763 Cb -0.01 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 2ce8 s ALA 763 CO -0.00 0.40 -0.19 0.99 0.00 0.00 0.00 175.76 176.96 2ce8 s THR 764 N -1.91 2.58 -0.19 0.00 2.01 -0.26 -0.20 115.64 117.67 2ce8 s THR 764 Ca 0.25 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.31 2ce8 s THR 764 Cb -0.08 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 2ce8 s THR 764 CO 0.14 0.56 0.08 -0.69 -0.69 0.00 0.00 174.62 174.02 2ce8 s VAL 765 N -0.08 4.87 -0.00 3.82 1.01 -0.01 -1.15 120.40 128.86 2ce8 s VAL 765 Ca -0.04 -0.00 0.05 0.00 0.00 0.00 0.00 61.98 61.99 2ce8 s VAL 765 Cb -0.14 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 2ce8 s VAL 765 CO 0.04 0.45 -0.15 -0.31 0.00 0.00 0.00 175.10 175.13 2ce8 s TYR 766 N 0.46 2.65 -0.19 5.22 1.51 0.47 -0.35 117.35 127.13 2ce8 s TYR 766 Ca 0.04 -0.19 -0.13 0.00 -1.01 0.00 0.00 57.07 55.78 2ce8 s TYR 766 Cb -0.12 -1.55 -0.05 0.00 -0.11 0.00 0.00 41.96 40.13 2ce8 s TYR 766 CO 0.00 0.23 0.26 -2.00 -1.11 0.00 0.00 175.55 172.93 2ce8 s GLU 767 N -1.13 4.20 -0.25 -0.62 2.12 1.00 -1.52 118.70 122.50 2ce8 s GLU 767 Ca 0.14 -0.01 -0.28 0.00 0.36 0.00 0.00 54.97 55.17 2ce8 s GLU 767 Cb -0.11 -3.47 0.01 0.00 0.26 0.00 0.00 34.13 30.83 2ce8 s GLU 767 CO 0.03 0.16 1.01 0.08 -0.54 0.00 0.00 175.26 176.01 2ce8 s VAL 768 N 0.73 4.67 -0.20 3.70 1.01 0.65 -1.16 120.40 129.79 2ce8 s VAL 768 Ca 0.14 1.89 -0.08 0.00 0.00 0.00 0.00 61.98 63.93 2ce8 s VAL 768 Cb -0.13 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 2ce8 s VAL 768 CO 0.04 -0.23 0.08 -0.63 0.00 0.00 0.00 175.10 174.36 2ce8 s ILE 769 N 3.23 4.78 -2.05 2.22 -1.09 0.92 -4.88 121.20 124.34 2ce8 s ILE 769 Ca 0.43 -0.03 0.16 0.00 -2.23 0.00 0.00 60.65 58.98 2ce8 s ILE 769 Cb -0.14 -3.18 0.13 0.00 -1.58 0.00 0.00 42.46 37.69 2ce8 s ILE 769 CO 0.08 0.42 1.02 -1.22 -1.23 0.00 0.00 174.94 174.01