#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wb8 n GLY 448 N 0.00 -1.30 0.19 -0.72 0.00 -1.26 -4.11 105.19 97.99 2wb8 n GLY 448 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 2wb8 n GLY 448 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wb8 h SER 449 N 0.00 0.52 0.04 1.61 0.02 -2.05 0.18 113.55 113.86 2wb8 h SER 449 Ca 0.00 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2wb8 h SER 449 Cb 0.76 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2wb8 h SER 449 CO 0.00 0.49 -0.02 -0.29 -1.14 0.00 0.00 176.83 175.87 2wb8 h ILE 450 N 0.51 1.03 -0.14 3.27 2.10 -2.00 -1.80 117.51 120.47 2wb8 h ILE 450 Ca 0.14 -0.21 -0.05 0.00 1.08 0.00 0.00 64.86 65.81 2wb8 h ILE 450 Cb 0.10 1.17 -0.01 0.00 -1.09 0.00 0.00 36.82 37.00 2wb8 h ILE 450 CO -0.02 0.05 -0.14 -0.33 -1.08 0.00 0.00 178.15 176.64 2wb8 h GLU 451 N -0.15 0.22 0.10 2.19 5.08 -1.68 -0.97 114.58 119.38 2wb8 h GLU 451 Ca -0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2wb8 h GLU 451 Cb 0.13 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2wb8 h GLU 451 CO 0.01 0.37 -0.05 0.82 -1.00 0.00 0.00 179.01 179.16 2wb8 h ILE 452 N 0.21 1.11 -0.10 3.13 2.04 -0.47 -2.48 117.51 120.96 2wb8 h ILE 452 Ca 0.04 -1.15 -0.12 0.00 1.00 0.00 0.00 64.86 64.63 2wb8 h ILE 452 Cb 0.38 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 2wb8 h ILE 452 CO 0.02 0.26 -0.47 0.77 0.00 0.00 0.00 178.15 178.74 2wb8 h SER 453 N -0.71 0.27 0.07 1.72 4.64 -1.25 0.14 113.55 118.44 2wb8 h SER 453 Ca -0.01 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 2wb8 h SER 453 Cb 0.54 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2wb8 h SER 453 CO 0.02 0.71 -0.03 0.78 -0.87 0.00 0.00 176.83 177.44 2wb8 h ASN 454 N 0.21 0.00 0.99 4.97 2.35 -1.27 -2.49 115.58 120.34 2wb8 h ASN 454 Ca 0.01 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.57 2wb8 h ASN 454 Cb 0.91 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.25 2wb8 h ASN 454 CO 0.07 0.03 -1.06 0.50 -1.65 0.00 0.00 177.43 175.32 2wb8 h LYS 455 N 0.00 0.00 -1.65 0.81 3.64 -0.27 -3.35 116.57 115.75 2wb8 h LYS 455 Ca -0.00 0.00 0.50 0.00 -1.27 0.00 0.00 60.65 59.87 2wb8 h LYS 455 Cb 0.07 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.80 2wb8 h LYS 455 CO 0.00 0.67 1.16 -0.22 -2.27 0.00 0.00 179.45 178.79 2wb8 h LYS 456 N 0.00 0.02 0.00 1.90 1.63 -0.78 -1.17 116.57 118.18 2wb8 h LYS 456 Ca -0.08 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2wb8 h LYS 456 Cb 1.69 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.31 2wb8 h LYS 456 CO 0.09 0.02 0.00 0.00 -3.45 0.00 0.00 179.45 176.11 2wb8 n ALA 457 N -2.78 0.00 -0.23 5.00 0.00 -1.26 -1.43 120.51 119.81 2wb8 n ALA 457 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2wb8 n ALA 457 Cb 1.72 0.00 0.00 0.00 0.00 0.00 0.00 19.45 21.17 2wb8 n ALA 457 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wb8 n SER 458 N -0.31 0.00 -0.32 0.00 7.64 -1.26 -1.82 113.62 117.56 2wb8 n SER 458 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 2wb8 n SER 458 Cb 0.00 0.00 0.39 0.00 -1.01 0.00 0.00 64.21 63.59 2wb8 n SER 458 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2wb8 h ASP 459 N 0.00 0.65 -0.49 6.43 5.19 -1.28 0.11 116.42 127.04 2wb8 h ASP 459 Ca 0.00 0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.45 2wb8 h ASP 459 Cb 0.00 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.45 2wb8 h ASP 459 CO 0.00 0.24 0.17 0.00 -3.12 0.00 0.00 179.24 176.53 2wb8 h ALA 460 N 1.63 0.63 0.00 3.45 0.00 -1.26 -3.16 119.26 120.55 2wb8 h ALA 460 Ca 0.55 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2wb8 h ALA 460 Cb 1.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2wb8 h ALA 460 CO -0.31 0.27 0.00 0.93 0.00 0.00 0.00 179.25 180.14 2wb8 h GLU 461 N 0.65 0.00 0.14 0.00 4.39 -0.04 -2.34 114.58 117.38 2wb8 h GLU 461 Ca 0.16 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.56 2wb8 h GLU 461 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2wb8 h GLU 461 CO -0.01 0.00 -1.40 1.57 -1.16 0.00 0.00 179.01 178.01 2wb8 h LYS 462 N 0.00 0.30 -0.10 2.33 -0.00 -1.30 -2.90 116.57 114.90 2wb8 h LYS 462 Ca 0.00 -0.51 -0.03 0.00 -0.00 0.00 0.00 60.65 60.11 2wb8 h LYS 462 Cb 0.46 0.19 -0.00 0.00 -0.00 0.00 0.00 32.23 32.88 2wb8 h LYS 462 CO 0.00 1.21 -0.05 -0.39 -0.00 0.00 0.00 179.45 180.22 2wb8 h VAL 463 N 0.08 1.32 -3.68 0.07 -1.51 -1.40 -2.42 116.25 108.71 2wb8 h VAL 463 Ca -0.20 -1.08 -0.51 0.00 -1.23 0.00 0.00 66.70 63.69 2wb8 h VAL 463 Cb 2.02 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 33.01 2wb8 h VAL 463 CO 0.20 0.30 0.45 -0.31 -1.23 0.00 0.00 177.57 176.98 2wb8 s TYR 464 N -4.55 3.66 -0.38 5.19 2.02 -0.97 -0.72 117.35 121.61 2wb8 s TYR 464 Ca -0.15 1.69 0.05 0.00 -0.37 0.00 0.00 57.07 58.30 2wb8 s TYR 464 Cb 0.04 -3.22 0.45 0.00 -0.40 0.00 0.00 41.96 38.83 2wb8 s TYR 464 CO 0.72 -0.38 1.32 0.41 -1.57 0.00 0.00 175.55 176.04 2wb8 n GLY 465 N 1.68 6.26 0.27 0.71 0.00 -1.10 -4.06 105.19 108.95 2wb8 n GLY 465 Ca 0.01 -2.63 0.11 0.00 0.00 0.00 0.00 46.02 43.51 2wb8 n GLY 465 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wb8 h GLU 466 N 2.23 0.00 -0.19 1.61 4.57 -0.93 0.35 114.58 122.23 2wb8 h GLU 466 Ca 0.40 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.58 2wb8 h GLU 466 Cb 1.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 2wb8 h GLU 466 CO 0.90 0.04 0.00 0.00 -1.18 0.00 0.00 179.01 178.77 2wb8 n SER 468 N 0.21 -0.45 -4.68 0.00 7.64 0.12 -4.87 113.62 111.59 2wb8 n SER 468 Ca 0.14 -1.23 -0.23 0.00 1.01 0.00 0.00 58.87 58.56 2wb8 n SER 468 Cb 0.27 -1.77 -0.07 0.00 -1.01 0.00 0.00 64.21 61.64 2wb8 n SER 468 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2wb8 s GLN 469 N -7.25 2.39 -0.63 1.43 -0.21 -1.26 -5.00 119.66 109.13 2wb8 s GLN 469 Ca 0.36 -1.37 0.03 0.00 0.02 0.00 0.00 55.36 54.40 2wb8 s GLN 469 Cb -0.21 -2.22 0.15 0.00 1.00 0.00 0.00 33.01 31.73 2wb8 s GLN 469 CO 1.00 0.35 0.41 -1.59 -2.12 0.00 0.00 175.29 173.34 2wb8 s LYS 470 N -3.71 2.34 0.00 2.91 -2.85 -1.26 -4.04 119.74 113.13 2wb8 s LYS 470 Ca 0.32 -2.88 0.00 0.00 -1.00 0.00 0.00 55.97 52.41 2wb8 s LYS 470 Cb -0.06 -3.48 0.00 0.00 -2.06 0.00 0.00 37.83 32.23 2wb8 s LYS 470 CO 0.21 -1.19 0.00 0.41 0.10 0.00 0.00 175.35 174.88 2wb8 n GLY 471 N 2.76 2.13 3.77 0.59 0.00 -1.26 -5.00 105.19 108.18 2wb8 n GLY 471 Ca 0.11 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 2wb8 n GLY 471 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wb8 s PRO 472 N -2.84 4.16 0.27 1.61 0.02 -1.26 -4.94 135.00 132.03 2wb8 s PRO 472 Ca 0.00 2.49 0.08 0.00 0.02 0.00 0.00 61.00 63.59 2wb8 s PRO 472 Cb 0.00 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.49 2wb8 s PRO 472 CO 0.00 -0.47 0.19 0.14 -0.33 0.00 0.00 177.00 176.53 2wb8 s VAL 473 N -1.03 4.06 0.97 3.83 -7.23 -0.91 -4.88 120.40 115.21 2wb8 s VAL 473 Ca 0.53 -1.48 -0.11 0.00 -1.81 0.00 0.00 61.98 59.10 2wb8 s VAL 473 Cb -0.45 -3.26 0.17 0.00 0.56 0.00 0.00 36.38 33.40 2wb8 s VAL 473 CO 0.60 -0.31 1.09 -2.16 -0.31 0.00 0.00 175.10 174.00 2wb8 s PRO 474 N -3.85 0.66 0.22 4.82 0.04 -1.26 -0.49 135.00 135.13 2wb8 s PRO 474 Ca 0.35 1.00 -0.08 0.00 0.04 0.00 0.00 61.00 62.31 2wb8 s PRO 474 Cb -0.07 -1.73 0.30 0.00 0.04 0.00 0.00 34.50 33.05 2wb8 s PRO 474 CO 0.24 -2.71 1.79 0.74 0.04 0.00 0.00 177.00 177.11 2wb8 h PHE 475 N -1.90 0.67 0.00 0.56 0.04 -1.93 -2.74 116.94 111.64 2wb8 h PHE 475 Ca -0.51 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.29 2wb8 h PHE 475 Cb 1.29 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 39.25 2wb8 h PHE 475 CO 0.40 0.28 0.00 0.66 -0.60 0.00 0.00 178.31 179.05 2wb8 h SER 476 N 0.65 0.00 -0.48 2.17 4.64 -1.93 0.64 113.55 119.24 2wb8 h SER 476 Ca 0.33 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.59 2wb8 h SER 476 Cb 0.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 2wb8 h SER 476 CO -0.23 0.00 0.05 -0.74 -0.87 0.00 0.00 176.83 175.03 2wb8 h HIS 477 N 0.00 0.87 0.16 4.77 -0.00 -1.85 -2.45 115.15 116.65 2wb8 h HIS 477 Ca 0.00 -0.13 -0.32 0.00 -0.00 0.00 0.00 60.37 59.92 2wb8 h HIS 477 Cb 0.28 -0.23 0.01 0.00 -0.00 0.00 0.00 27.41 27.47 2wb8 h HIS 477 CO 0.00 0.82 -1.53 0.00 -0.00 0.00 0.00 177.93 177.22 2wb8 n LEU 479 N -3.54 1.49 -4.34 0.00 4.77 0.21 -5.03 117.00 110.56 2wb8 n LEU 479 Ca -0.17 -4.91 -0.31 0.00 -0.03 0.00 0.00 56.01 50.59 2wb8 n LEU 479 Cb 1.06 -0.01 0.19 0.00 -2.33 0.00 0.00 43.42 42.34 2wb8 n LEU 479 CO 0.53 1.94 -0.22 -2.65 -1.33 0.00 0.00 177.39 175.67 2wb8 n PRO 480 N 1.76 -1.78 -0.10 3.23 -0.02 -0.92 -4.15 135.00 133.02 2wb8 n PRO 480 Ca 0.25 -0.50 -0.06 0.00 -2.02 0.00 0.00 63.50 61.18 2wb8 n PRO 480 Cb 0.45 -1.84 0.01 0.00 -0.02 0.00 0.00 33.50 32.09 2wb8 n PRO 480 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2wb8 h THR 481 N -2.22 0.70 -0.34 3.45 1.35 -1.98 -0.31 112.91 113.57 2wb8 h THR 481 Ca -0.55 -0.02 0.07 0.00 -0.55 0.00 0.00 66.41 65.36 2wb8 h THR 481 Cb 1.35 0.65 -0.08 0.00 -1.73 0.00 0.00 68.15 68.34 2wb8 h THR 481 CO 0.41 0.01 -0.21 -0.33 -0.25 0.00 0.00 175.52 175.15 2wb8 h GLU 482 N 0.04 -0.16 0.22 4.72 3.07 -1.98 0.83 114.58 121.32 2wb8 h GLU 482 Ca 0.17 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.03 2wb8 h GLU 482 Cb 0.24 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2wb8 h GLU 482 CO -0.32 -0.11 -0.11 -0.22 -1.40 0.00 0.00 179.01 176.86 2wb8 h LYS 483 N -0.17 -0.29 -0.30 2.33 3.64 -1.76 -2.67 116.57 117.36 2wb8 h LYS 483 Ca 0.17 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.61 2wb8 h LYS 483 Cb 0.43 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2wb8 h LYS 483 CO -0.44 -0.15 0.20 1.25 -2.27 0.00 0.00 179.45 178.04 2wb8 h LEU 484 N -0.35 0.20 -1.02 5.20 5.85 -0.02 -0.55 115.31 124.63 2wb8 h LEU 484 Ca -0.03 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 2wb8 h LEU 484 Cb 0.27 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2wb8 h LEU 484 CO 0.05 0.13 -0.37 1.56 -0.34 0.00 0.00 178.44 179.48 2wb8 h GLN 485 N 0.23 0.00 -0.02 1.25 4.20 0.99 -2.92 115.11 118.84 2wb8 h GLN 485 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2wb8 h GLN 485 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2wb8 h GLN 485 CO -0.02 0.37 -0.10 0.54 -0.67 0.00 0.00 178.83 178.95 2wb8 n ARG 486 N -3.59 1.51 -2.08 1.46 5.12 -0.23 -4.93 116.66 113.91 2wb8 n ARG 486 Ca -0.00 -0.97 -0.41 0.00 -1.93 0.00 0.00 57.85 54.54 2wb8 n ARG 486 Cb 0.49 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 30.29 2wb8 n ARG 486 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wb8 s GLU 488 N -1.56 0.16 0.11 0.00 2.02 -0.35 -4.90 118.70 114.19 2wb8 s GLU 488 Ca 0.51 0.13 -0.31 0.00 0.02 0.00 0.00 54.97 55.32 2wb8 s GLU 488 Cb -0.40 -0.40 -0.10 0.00 0.10 0.00 0.00 34.13 33.33 2wb8 s GLU 488 CO 0.52 -0.15 1.74 0.21 0.02 0.00 0.00 175.26 177.59 2wb8 s LYS 489 N 1.08 4.16 -0.04 1.61 2.20 -1.26 -0.80 119.74 126.70 2wb8 s LYS 489 Ca -0.09 2.48 0.09 0.00 -0.36 0.00 0.00 55.97 58.08 2wb8 s LYS 489 Cb -0.13 -3.53 -0.13 0.00 -1.51 0.00 0.00 37.83 32.53 2wb8 s LYS 489 CO -0.02 -0.78 0.14 0.44 -0.36 0.00 0.00 175.35 174.77 2wb8 n ILE 490 N 4.62 0.19 -3.96 5.43 -5.35 0.19 -4.86 119.36 115.63 2wb8 n ILE 490 Ca 0.17 -0.26 -0.12 0.00 -0.27 0.00 0.00 62.75 62.27 2wb8 n ILE 490 Cb 0.39 -0.06 -0.01 0.00 -1.74 0.00 0.00 39.64 38.22 2wb8 n ILE 490 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2wb8 s GLY 491 N -3.37 0.97 0.19 3.28 0.00 -0.55 -5.01 107.32 102.82 2wb8 s GLY 491 Ca -0.04 -1.16 -0.23 0.00 0.00 0.00 0.00 44.72 43.30 2wb8 s GLY 491 CO 0.37 -0.68 0.68 -1.83 0.00 0.00 0.00 173.10 171.64 2wb8 s GLU 492 N -2.75 1.43 0.17 2.90 -1.05 -1.26 -1.30 118.70 116.84 2wb8 s GLU 492 Ca 0.24 -0.66 -0.07 0.00 -0.15 0.00 0.00 54.97 54.33 2wb8 s GLU 492 Cb -0.03 0.57 0.03 0.00 -0.44 0.00 0.00 34.13 34.27 2wb8 s GLU 492 CO 0.16 -0.64 0.39 0.41 0.95 0.00 0.00 175.26 176.53 2wb8 n GLY 493 N -0.40 1.44 0.34 -3.83 0.00 -0.61 -4.97 105.19 97.16 2wb8 n GLY 493 Ca -0.11 -1.11 0.12 0.00 0.00 0.00 0.00 46.02 44.92 2wb8 n GLY 493 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wb8 h VAL 494 N 1.46 0.90 -0.21 1.61 2.07 -1.94 -1.72 116.25 118.42 2wb8 h VAL 494 Ca -0.15 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.30 2wb8 h VAL 494 Cb 0.58 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2wb8 h VAL 494 CO 0.20 0.05 0.14 2.19 0.02 0.00 0.00 177.57 180.17 2wb8 h PHE 495 N 0.28 0.15 0.00 1.57 -0.00 -1.94 -3.44 116.94 113.56 2wb8 h PHE 495 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.19 2wb8 h PHE 495 Cb 0.50 -0.05 0.00 0.00 -0.00 0.00 0.00 35.95 36.40 2wb8 h PHE 495 CO -0.00 0.09 0.00 0.41 -0.00 0.00 0.00 178.31 178.81 2wb8 n GLY 496 N -1.54 0.27 3.06 6.09 0.00 -0.65 -4.36 105.19 108.06 2wb8 n GLY 496 Ca 0.01 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 2wb8 n GLY 496 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wb8 s GLU 497 N -0.33 0.62 -0.15 1.61 0.41 -0.87 -1.57 118.70 118.42 2wb8 s GLU 497 Ca 0.00 -0.64 0.00 0.00 -0.41 0.00 0.00 54.97 53.92 2wb8 s GLU 497 Cb 0.00 -0.51 0.02 0.00 -1.78 0.00 0.00 34.13 31.87 2wb8 s GLU 497 CO 0.00 0.12 -0.13 0.08 -0.49 0.00 0.00 175.26 174.83 2wb8 s VAL 498 N -0.96 1.54 0.02 2.63 1.01 -0.42 0.06 120.40 124.27 2wb8 s VAL 498 Ca -0.04 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.34 2wb8 s VAL 498 Cb -0.08 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 2wb8 s VAL 498 CO 0.01 0.43 -0.06 -0.36 0.00 0.00 0.00 175.10 175.11 2wb8 s PHE 499 N 1.50 2.88 -0.11 5.22 0.08 0.51 0.57 117.98 128.64 2wb8 s PHE 499 Ca 0.05 -0.05 -0.05 0.00 0.12 0.00 0.00 56.93 57.00 2wb8 s PHE 499 Cb -0.13 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 2wb8 s PHE 499 CO -0.10 0.39 0.08 -1.14 -0.10 0.00 0.00 175.22 174.34 2wb8 s GLN 500 N -1.56 3.24 0.00 0.44 0.74 0.02 0.89 119.66 123.44 2wb8 s GLN 500 Ca 0.18 -0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.33 2wb8 s GLN 500 Cb -0.11 -3.01 0.00 0.00 1.10 0.00 0.00 33.01 30.99 2wb8 s GLN 500 CO 0.09 0.74 0.00 -2.37 -0.55 0.00 0.00 175.29 173.20 2wb8 n THR 501 N 2.08 0.00 -4.51 -0.34 5.66 0.16 -1.21 114.28 116.12 2wb8 n THR 501 Ca -0.19 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.58 2wb8 n THR 501 Cb 0.54 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.16 2wb8 n THR 501 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2wb8 s ILE 502 N -1.92 0.97 -0.09 1.09 2.07 -1.26 -0.92 121.20 121.14 2wb8 s ILE 502 Ca 0.00 -0.44 0.02 0.00 -1.41 0.00 0.00 60.65 58.82 2wb8 s ILE 502 Cb 0.00 -0.88 0.02 0.00 0.13 0.00 0.00 42.46 41.73 2wb8 s ILE 502 CO 0.00 0.30 -0.13 0.00 -1.91 0.00 0.00 174.94 173.21 2wb8 s ALA 503 N 0.36 1.43 -1.37 1.50 0.00 -0.03 -4.68 121.76 118.97 2wb8 s ALA 503 Ca -0.07 -0.55 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 2wb8 s ALA 503 Cb -0.12 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.32 2wb8 s ALA 503 CO 0.02 -0.03 0.78 -0.25 0.00 0.00 0.00 175.76 176.28 2wb8 n ASP 504 N 4.11 -2.21 -0.21 0.00 8.00 -1.26 -1.76 116.55 123.22 2wb8 n ASP 504 Ca -0.20 -0.81 -0.03 0.00 0.71 0.00 0.00 54.79 54.46 2wb8 n ASP 504 Cb 0.51 -3.99 -0.01 0.00 -0.02 0.00 0.00 41.12 37.62 2wb8 n ASP 504 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2wb8 n HIS 505 N -4.40 0.00 -4.36 1.24 8.25 -1.26 -4.97 115.22 109.71 2wb8 n HIS 505 Ca -0.20 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.05 2wb8 n HIS 505 Cb 0.63 -1.11 -0.16 0.00 1.12 0.00 0.00 29.99 30.47 2wb8 n HIS 505 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2wb8 s THR 506 N -1.81 0.77 0.27 1.59 2.01 -0.72 -5.12 115.64 112.62 2wb8 s THR 506 Ca 0.00 -0.32 -0.29 0.00 0.31 0.00 0.00 61.69 61.38 2wb8 s THR 506 Cb 0.00 -0.70 -0.10 0.00 0.01 0.00 0.00 72.50 71.71 2wb8 s THR 506 CO 0.00 0.25 1.28 -2.16 -0.69 0.00 0.00 174.62 173.30 2wb8 s PRO 507 N 0.39 4.41 0.18 4.92 0.04 -1.26 -0.85 135.00 142.83 2wb8 s PRO 507 Ca -0.06 2.09 0.04 0.00 0.04 0.00 0.00 61.00 63.11 2wb8 s PRO 507 Cb -0.11 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.25 2wb8 s PRO 507 CO 0.01 -0.15 -0.06 0.14 0.04 0.00 0.00 177.00 176.97 2wb8 s VAL 508 N -0.63 1.13 -0.10 -0.36 -7.23 -0.10 -3.11 120.40 109.99 2wb8 s VAL 508 Ca 0.51 -2.06 0.03 0.00 -1.81 0.00 0.00 61.98 58.65 2wb8 s VAL 508 Cb -0.37 -2.05 -0.01 0.00 0.56 0.00 0.00 36.38 34.51 2wb8 s VAL 508 CO 0.45 -0.57 -0.20 0.00 -0.31 0.00 0.00 175.10 174.47 2wb8 s ALA 509 N -3.35 2.36 -0.15 1.32 0.00 -0.65 -0.67 121.76 120.62 2wb8 s ALA 509 Ca 0.22 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.25 2wb8 s ALA 509 Cb 0.04 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.22 2wb8 s ALA 509 CO 0.04 0.30 -0.20 0.42 0.00 0.00 0.00 175.76 176.32 2wb8 s ILE 510 N 0.24 1.93 -0.22 0.00 1.01 0.26 -0.49 121.20 123.92 2wb8 s ILE 510 Ca -0.13 -0.89 -0.06 0.00 0.00 0.00 0.00 60.65 59.58 2wb8 s ILE 510 Cb -0.16 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 2wb8 s ILE 510 CO 0.07 0.52 0.02 -0.75 0.00 0.00 0.00 174.94 174.80 2wb8 s LYS 511 N 1.01 3.60 -0.18 2.79 2.20 -0.37 -0.36 119.74 128.43 2wb8 s LYS 511 Ca -0.03 -0.52 -0.02 0.00 -0.36 0.00 0.00 55.97 55.05 2wb8 s LYS 511 Cb -0.15 -3.17 -0.01 0.00 -1.51 0.00 0.00 37.83 32.99 2wb8 s LYS 511 CO -0.05 -0.11 -0.10 0.42 -0.36 0.00 0.00 175.35 175.15 2wb8 s ILE 512 N 1.34 3.06 -0.13 5.43 1.01 0.11 -1.41 121.20 130.61 2wb8 s ILE 512 Ca 0.04 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.07 2wb8 s ILE 512 Cb -0.15 -2.34 0.03 0.00 0.01 0.00 0.00 42.46 40.02 2wb8 s ILE 512 CO 0.02 0.48 -0.08 -0.63 0.00 0.00 0.00 174.94 174.73 2wb8 s ILE 513 N 0.95 1.14 0.12 2.92 1.01 -0.02 -2.04 121.20 125.29 2wb8 s ILE 513 Ca -0.02 -0.42 -0.31 0.00 0.00 0.00 0.00 60.65 59.90 2wb8 s ILE 513 Cb -0.15 -1.18 -0.08 0.00 0.01 0.00 0.00 42.46 41.07 2wb8 s ILE 513 CO -0.01 0.33 1.33 0.00 0.00 0.00 0.00 174.94 176.59 2wb8 s ALA 514 N 1.65 3.53 0.13 9.38 0.00 -1.26 -0.44 121.76 134.74 2wb8 s ALA 514 Ca 0.04 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.12 2wb8 s ALA 514 Cb -0.13 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 2wb8 s ALA 514 CO -0.09 -0.55 -0.16 0.96 0.00 0.00 0.00 175.76 175.92 2wb8 s ILE 515 N 0.84 1.50 0.00 0.00 -4.36 0.99 -4.21 121.20 115.96 2wb8 s ILE 515 Ca 0.61 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 59.30 2wb8 s ILE 515 Cb -0.35 -1.57 0.00 0.00 1.25 0.00 0.00 42.46 41.79 2wb8 s ILE 515 CO 0.32 -0.32 0.00 -0.62 0.24 0.00 0.00 174.94 174.56 2wb8 n GLU 516 N 0.62 0.00 -3.11 0.37 -0.58 -0.04 -3.95 120.64 113.95 2wb8 n GLU 516 Ca -0.16 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.34 2wb8 n GLU 516 Cb 0.56 -2.75 -0.00 0.00 -0.57 0.00 0.00 31.44 28.68 2wb8 n GLU 516 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2wb8 s GLY 517 N -2.00 1.45 0.12 0.62 0.00 -1.26 -5.02 107.32 101.24 2wb8 s GLY 517 Ca 0.00 -0.91 0.25 0.00 0.00 0.00 0.00 44.72 44.06 2wb8 s GLY 517 CO 0.00 -0.79 1.49 -1.55 0.00 0.00 0.00 173.10 172.25 2wb8 n PRO 518 N -1.98 0.24 -2.45 2.90 -0.04 -1.26 -4.38 135.00 128.02 2wb8 n PRO 518 Ca -0.01 0.11 -0.41 0.00 -0.04 0.00 0.00 63.50 63.15 2wb8 n PRO 518 Cb 0.57 -1.69 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 2wb8 n PRO 518 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wb8 s ASP 519 N -4.11 7.22 0.27 3.54 1.01 -1.26 -4.93 116.67 118.41 2wb8 s ASP 519 Ca 0.08 2.24 -0.30 0.00 0.71 0.00 0.00 52.55 55.28 2wb8 s ASP 519 Cb 0.14 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 41.35 2wb8 s ASP 519 CO 0.67 -0.22 1.42 -0.76 0.21 0.00 0.00 175.17 176.50 2wb8 s LEU 520 N -0.97 4.39 -0.18 1.23 1.43 -1.26 -4.24 118.68 119.08 2wb8 s LEU 520 Ca 0.47 2.69 0.01 0.00 -1.03 0.00 0.00 54.13 56.28 2wb8 s LEU 520 Cb -0.32 -3.63 0.03 0.00 0.03 0.00 0.00 46.19 42.30 2wb8 s LEU 520 CO 0.39 -0.69 -0.14 -0.69 0.23 0.00 0.00 176.35 175.45 2wb8 s VAL 521 N -0.26 1.73 -1.54 -1.59 1.01 0.30 -4.74 120.40 115.31 2wb8 s VAL 521 Ca 0.57 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 2wb8 s VAL 521 Cb -0.42 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.30 2wb8 s VAL 521 CO 0.46 0.37 0.64 0.59 0.00 0.00 0.00 175.10 177.16 2wb8 n ASN 522 N 4.70 -6.14 0.00 3.32 3.02 -1.26 -1.92 115.26 116.98 2wb8 n ASN 522 Ca -0.17 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 2wb8 n ASN 522 Cb 0.49 -4.94 0.00 0.00 -0.61 0.00 0.00 39.78 34.71 2wb8 n ASN 522 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wb8 n GLY 523 N -1.56 2.28 3.55 7.41 0.00 -1.26 -4.88 105.19 110.74 2wb8 n GLY 523 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 2wb8 n GLY 523 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wb8 s SER 524 N -2.18 4.10 0.51 1.61 0.15 -0.81 -5.04 113.70 112.04 2wb8 s SER 524 Ca 0.00 -0.71 -0.22 0.00 0.70 0.00 0.00 55.95 55.71 2wb8 s SER 524 Cb 0.00 -0.62 -0.06 0.00 -1.71 0.00 0.00 66.02 63.63 2wb8 s SER 524 CO 0.00 0.07 1.28 -2.28 1.20 0.00 0.00 173.24 173.51 2wb8 s HIS 525 N -2.00 2.55 0.40 3.44 2.46 -1.26 -0.54 115.29 120.33 2wb8 s HIS 525 Ca 0.27 1.44 -0.25 0.00 0.47 0.00 0.00 55.06 56.99 2wb8 s HIS 525 Cb -0.07 -3.62 -0.09 0.00 -0.13 0.00 0.00 32.58 28.67 2wb8 s HIS 525 CO 0.16 -2.30 1.11 -0.65 -2.47 0.00 0.00 174.74 170.59 2wb8 s GLN 526 N -2.80 4.11 0.39 2.88 -0.21 -1.26 -4.85 119.66 117.93 2wb8 s GLN 526 Ca 0.68 1.69 -0.25 0.00 0.02 0.00 0.00 55.36 57.50 2wb8 s GLN 526 Cb -0.35 -2.63 -0.09 0.00 1.00 0.00 0.00 33.01 30.94 2wb8 s GLN 526 CO 0.42 -0.23 1.14 0.15 -2.12 0.00 0.00 175.29 174.66 2wb8 s LYS 527 N -2.35 4.12 0.82 2.91 1.02 -1.26 -4.52 119.74 120.48 2wb8 s LYS 527 Ca 0.57 1.77 -0.10 0.00 0.02 0.00 0.00 55.97 58.24 2wb8 s LYS 527 Cb -0.27 -2.69 0.13 0.00 -0.52 0.00 0.00 37.83 34.48 2wb8 s LYS 527 CO 0.34 -0.24 1.15 0.95 -0.92 0.00 0.00 175.35 176.62 2wb8 s THR 528 N -1.44 2.11 0.35 2.17 -4.23 -1.26 -0.86 115.64 112.47 2wb8 s THR 528 Ca 0.56 -0.21 0.06 0.00 -1.18 0.00 0.00 61.69 60.92 2wb8 s THR 528 Cb -0.29 -2.90 0.30 0.00 1.34 0.00 0.00 72.50 70.95 2wb8 s THR 528 CO 0.37 0.00 1.92 -0.26 -0.54 0.00 0.00 174.62 176.11 2wb8 h PHE 529 N -1.04 0.83 -0.06 3.99 -1.00 -1.87 -1.80 116.94 115.99 2wb8 h PHE 529 Ca -0.43 0.02 -0.19 0.00 2.81 0.00 0.00 57.97 60.19 2wb8 h PHE 529 Cb 1.27 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 40.56 2wb8 h PHE 529 CO -0.37 0.40 -0.76 1.49 -1.61 0.00 0.00 178.31 177.46 2wb8 h GLU 530 N 0.78 0.38 0.00 1.51 4.81 -1.89 -3.16 114.58 117.01 2wb8 h GLU 530 Ca 0.37 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2wb8 h GLU 530 Cb 0.40 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2wb8 h GLU 530 CO -0.14 0.97 -0.31 0.93 -0.73 0.00 0.00 179.01 179.73 2wb8 h GLU 531 N 0.25 0.00 0.00 1.92 5.08 -1.80 -3.32 114.58 116.71 2wb8 h GLU 531 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2wb8 h GLU 531 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2wb8 h GLU 531 CO 0.13 0.00 -0.57 0.97 -1.00 0.00 0.00 179.01 178.54 2wb8 h ILE 532 N 0.00 0.00 0.13 3.13 6.09 -1.33 -3.40 117.51 122.12 2wb8 h ILE 532 Ca 0.00 -0.60 0.01 0.00 -1.37 0.00 0.00 64.86 62.90 2wb8 h ILE 532 Cb 0.93 1.24 -0.02 0.00 0.47 0.00 0.00 36.82 39.45 2wb8 h ILE 532 CO 0.00 0.00 -0.15 0.25 -3.07 0.00 0.00 178.15 175.18 2wb8 h LEU 533 N 0.00 -0.41 -0.63 2.19 5.85 -1.65 -3.05 115.31 117.61 2wb8 h LEU 533 Ca 0.00 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.86 2wb8 h LEU 533 Cb 0.80 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.87 2wb8 h LEU 533 CO 0.00 -0.23 -0.45 -0.65 -0.34 0.00 0.00 178.44 176.78 2wb8 h PRO 534 N -0.32 -0.19 -0.42 5.25 0.11 -1.82 0.21 132.00 134.82 2wb8 h PRO 534 Ca 0.01 0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.21 2wb8 h PRO 534 Cb 0.32 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 31.41 2wb8 h PRO 534 CO -0.06 -0.13 0.03 1.49 -0.21 0.00 0.00 178.00 179.12 2wb8 h GLU 535 N -0.20 0.14 0.03 1.05 4.81 -1.74 0.39 114.58 119.07 2wb8 h GLU 535 Ca 0.19 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 2wb8 h GLU 535 Cb 0.56 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 2wb8 h GLU 535 CO -0.72 0.09 -0.50 0.82 -0.73 0.00 0.00 179.01 177.96 2wb8 h ILE 536 N 0.15 0.04 -0.47 2.32 2.04 -1.26 0.43 117.51 120.76 2wb8 h ILE 536 Ca 0.21 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.07 2wb8 h ILE 536 Cb 0.29 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 2wb8 h ILE 536 CO -0.32 0.00 0.29 0.40 0.00 0.00 0.00 178.15 178.52 2wb8 h ILE 537 N -0.67 1.14 -0.18 -0.67 2.04 -0.10 -2.06 117.51 117.00 2wb8 h ILE 537 Ca 0.02 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 2wb8 h ILE 537 Cb 0.72 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2wb8 h ILE 537 CO -0.33 0.14 -0.05 0.40 0.00 0.00 0.00 178.15 178.31 2wb8 h ILE 538 N 0.63 1.29 -0.93 -0.67 2.04 -0.05 -0.12 117.51 119.70 2wb8 h ILE 538 Ca 0.17 -1.03 0.12 0.00 1.00 0.00 0.00 64.86 65.12 2wb8 h ILE 538 Cb -0.02 1.60 -0.08 0.00 -0.74 0.00 0.00 36.82 37.57 2wb8 h ILE 538 CO -0.03 0.31 0.56 0.28 0.00 0.00 0.00 178.15 179.27 2wb8 h SER 539 N 0.07 0.79 0.03 1.72 0.02 -0.05 0.35 113.55 116.48 2wb8 h SER 539 Ca 0.05 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2wb8 h SER 539 Cb 0.50 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2wb8 h SER 539 CO 0.02 0.41 -0.05 0.11 -1.14 0.00 0.00 176.83 176.18 2wb8 h LYS 540 N 0.87 -0.10 -0.41 3.45 1.57 -1.19 -2.45 116.57 118.31 2wb8 h LYS 540 Ca 0.47 0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 59.13 2wb8 h LYS 540 Cb 0.51 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2wb8 h LYS 540 CO -0.28 -0.07 -0.28 0.93 -0.57 0.00 0.00 179.45 179.18 2wb8 h GLU 541 N -0.10 0.87 0.00 3.15 4.39 0.27 -2.86 114.58 120.30 2wb8 h GLU 541 Ca 0.01 -0.40 -0.07 0.00 0.34 0.00 0.00 59.36 59.25 2wb8 h GLU 541 Cb 0.11 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2wb8 h GLU 541 CO -0.03 1.04 -0.32 -0.07 -1.16 0.00 0.00 179.01 178.47 2wb8 h LEU 542 N 0.74 0.00 -0.50 1.33 3.38 -1.03 -2.97 115.31 116.26 2wb8 h LEU 542 Ca 0.09 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 2wb8 h LEU 542 Cb 0.84 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2wb8 h LEU 542 CO 0.07 0.32 -0.27 -1.28 0.09 0.00 0.00 178.44 177.37 2wb8 h SER 543 N 0.00 0.97 0.38 -0.43 0.87 -1.21 -3.06 113.55 111.08 2wb8 h SER 543 Ca -0.00 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2wb8 h SER 543 Cb 0.90 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2wb8 h SER 543 CO 0.04 1.18 0.00 -0.07 -0.53 0.00 0.00 176.83 177.45 2wb8 h LEU 544 N 0.80 0.00 -2.04 2.23 3.38 -1.39 -3.05 115.31 115.24 2wb8 h LEU 544 Ca 0.09 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.18 2wb8 h LEU 544 Cb 0.85 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2wb8 h LEU 544 CO 0.07 0.00 0.32 -0.07 0.09 0.00 0.00 178.44 178.85 2wb8 h LEU 545 N 0.00 0.00 -1.05 1.67 3.38 -1.56 -2.01 115.31 115.75 2wb8 h LEU 545 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wb8 h LEU 545 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2wb8 h LEU 545 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.30 2wb8 h SER 546 N 0.00 0.00 -0.02 -0.43 4.64 -1.32 -2.71 113.55 113.71 2wb8 h SER 546 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2wb8 h SER 546 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2wb8 h SER 546 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2wb8 n GLY 547 N 0.07 2.85 3.95 -0.77 0.00 -0.77 -4.75 105.19 105.77 2wb8 n GLY 547 Ca 0.01 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2wb8 n GLY 547 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wb8 s GLU 548 N -0.97 1.93 -0.03 1.61 0.41 -1.14 -5.08 118.70 115.43 2wb8 s GLU 548 Ca 0.02 -0.55 -0.03 0.00 -0.41 0.00 0.00 54.97 54.00 2wb8 s GLU 548 Cb 0.01 -2.21 -0.01 0.00 -1.78 0.00 0.00 34.13 30.14 2wb8 s GLU 548 CO 0.01 -1.36 -0.06 0.28 -0.49 0.00 0.00 175.26 173.63 2wb8 n VAL 549 N -2.93 0.34 -0.03 2.63 0.31 -1.26 -4.60 118.33 112.80 2wb8 n VAL 549 Ca 0.10 0.34 -0.12 0.00 -0.01 0.00 0.00 64.34 64.65 2wb8 n VAL 549 Cb 0.60 -1.57 -0.07 0.00 -0.91 0.00 0.00 33.84 31.89 2wb8 n VAL 549 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wb8 s ASN 551 N -5.69 4.80 -0.02 0.00 0.01 -1.26 -0.87 114.94 111.91 2wb8 s ASN 551 Ca -0.15 -1.12 0.01 0.00 -0.71 0.00 0.00 52.86 50.89 2wb8 s ASN 551 Cb 0.04 -1.72 0.02 0.00 0.41 0.00 0.00 41.25 40.00 2wb8 s ASN 551 CO 0.70 -0.23 -0.01 -0.60 -1.51 0.00 0.00 177.10 175.45 2wb8 s ARG 552 N 1.30 0.22 -0.10 -0.60 3.52 0.50 -4.61 118.95 119.18 2wb8 s ARG 552 Ca -0.03 0.02 -0.25 0.00 -0.13 0.00 0.00 55.73 55.34 2wb8 s ARG 552 Cb -0.19 -0.33 0.06 0.00 -1.56 0.00 0.00 34.95 32.93 2wb8 s ARG 552 CO -0.01 -0.06 0.59 -0.08 -0.81 0.00 0.00 175.30 174.92 2wb8 s THR 553 N 0.59 0.01 -1.01 4.11 -1.32 -1.03 -0.06 115.64 116.92 2wb8 s THR 553 Ca -0.06 -0.09 0.16 0.00 -1.21 0.00 0.00 61.69 60.49 2wb8 s THR 553 Cb -0.08 -0.88 0.55 0.00 -1.51 0.00 0.00 72.50 70.58 2wb8 s THR 553 CO -0.01 -0.05 1.47 -0.62 -2.21 0.00 0.00 174.62 173.20 2wb8 n GLU 554 N 1.52 3.21 0.00 7.08 1.02 -1.26 -2.17 120.64 130.04 2wb8 n GLU 554 Ca -0.18 -2.60 0.14 0.00 -0.02 0.00 0.00 57.16 54.50 2wb8 n GLU 554 Cb 0.56 -1.65 0.72 0.00 -0.02 0.00 0.00 31.44 31.05 2wb8 n GLU 554 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wb8 n GLY 555 N 0.73 -1.11 3.89 0.62 0.00 -1.26 -4.77 105.19 103.29 2wb8 n GLY 555 Ca 0.21 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 2wb8 n GLY 555 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wb8 s PHE 556 N -2.42 3.10 0.21 1.61 0.08 -1.26 0.17 117.98 119.46 2wb8 s PHE 556 Ca 0.30 -0.18 -0.30 0.00 0.12 0.00 0.00 56.93 56.87 2wb8 s PHE 556 Cb 0.19 -1.67 -0.08 0.00 -0.57 0.00 0.00 43.02 40.88 2wb8 s PHE 556 CO 0.39 0.30 1.06 -1.50 -0.10 0.00 0.00 175.22 175.37 2wb8 s ILE 557 N -2.17 3.86 0.35 0.64 1.10 -0.99 -4.71 121.20 119.28 2wb8 s ILE 557 Ca 0.38 1.71 -0.26 0.00 -0.51 0.00 0.00 60.65 61.97 2wb8 s ILE 557 Cb -0.08 -4.09 -0.09 0.00 0.15 0.00 0.00 42.46 38.35 2wb8 s ILE 557 CO 0.27 0.34 1.08 -0.83 -2.11 0.00 0.00 174.94 173.69 2wb8 s GLY 558 N -0.49 2.88 -0.16 1.50 0.00 -1.26 -4.28 107.32 105.51 2wb8 s GLY 558 Ca 0.46 0.80 -0.02 0.00 0.00 0.00 0.00 44.72 45.96 2wb8 s GLY 558 CO 0.36 1.30 -0.09 -2.27 0.00 0.00 0.00 173.10 172.39 2wb8 s LEU 559 N -2.15 2.82 -0.09 0.66 2.96 -1.26 -0.85 118.68 120.76 2wb8 s LEU 559 Ca 0.52 -0.33 -0.22 0.00 -0.22 0.00 0.00 54.13 53.88 2wb8 s LEU 559 Cb -0.27 -1.67 -0.28 0.00 0.50 0.00 0.00 46.19 44.47 2wb8 s LEU 559 CO 0.34 0.10 0.74 0.78 -1.32 0.00 0.00 176.35 176.99 2wb8 h ASN 560 N 7.18 0.30 -4.94 3.68 2.35 -1.07 -3.48 115.58 119.61 2wb8 h ASN 560 Ca -0.32 -0.91 0.14 0.00 -0.55 0.00 0.00 56.30 54.65 2wb8 h ASN 560 Cb 1.19 -0.10 -0.12 0.00 0.05 0.00 0.00 38.32 39.34 2wb8 h ASN 560 CO 0.58 1.35 0.48 -0.94 -1.65 0.00 0.00 177.43 177.26 2wb8 s SER 561 N -6.79 -0.29 -0.06 5.81 1.04 -1.14 -5.03 113.70 107.24 2wb8 s SER 561 Ca -0.17 -0.17 -0.01 0.00 0.48 0.00 0.00 55.95 56.09 2wb8 s SER 561 Cb 0.01 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.59 2wb8 s SER 561 CO 0.76 -0.74 -0.01 0.54 0.98 0.00 0.00 173.24 174.77 2wb8 s VAL 562 N -3.20 0.39 0.12 5.02 0.11 -1.26 -0.84 120.40 120.73 2wb8 s VAL 562 Ca 0.08 0.06 0.07 0.00 -2.93 0.00 0.00 61.98 59.26 2wb8 s VAL 562 Cb -0.01 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 2wb8 s VAL 562 CO -0.05 0.24 -0.17 -1.00 -3.33 0.00 0.00 175.10 170.79 2wb8 s HIS 563 N 1.59 1.60 -0.35 1.54 3.76 -0.48 -4.48 115.29 118.48 2wb8 s HIS 563 Ca -0.01 -0.48 -0.14 0.00 -0.15 0.00 0.00 55.06 54.29 2wb8 s HIS 563 Cb -0.13 -0.85 -0.01 0.00 1.11 0.00 0.00 32.58 32.70 2wb8 s HIS 563 CO -0.03 0.20 0.29 0.00 -0.85 0.00 0.00 174.74 174.35 2wb8 s VAL 565 N 1.84 3.01 -0.06 0.00 1.01 0.12 -2.15 120.40 124.18 2wb8 s VAL 565 Ca 0.08 -1.40 0.01 0.00 0.00 0.00 0.00 61.98 60.67 2wb8 s VAL 565 Cb -0.17 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.84 2wb8 s VAL 565 CO 0.11 0.12 -0.07 -1.58 0.00 0.00 0.00 175.10 173.68 2wb8 s GLN 566 N -2.11 1.16 0.00 2.72 0.74 0.35 -0.37 119.66 122.16 2wb8 s GLN 566 Ca 0.19 -0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.39 2wb8 s GLN 566 Cb -0.11 -1.09 0.00 0.00 1.10 0.00 0.00 33.01 32.91 2wb8 s GLN 566 CO 0.11 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.19 2wb8 n GLY 567 N 4.10 1.73 3.71 2.59 0.00 -0.08 -3.88 105.19 113.35 2wb8 n GLY 567 Ca -0.22 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 2wb8 n GLY 567 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wb8 s SER 568 N 0.00 3.20 0.06 1.61 1.04 -1.24 -4.25 113.70 114.11 2wb8 s SER 568 Ca 0.00 1.36 -0.31 0.00 0.48 0.00 0.00 55.95 57.48 2wb8 s SER 568 Cb 0.00 -2.03 -0.07 0.00 0.10 0.00 0.00 66.02 64.01 2wb8 s SER 568 CO 0.00 -2.79 1.53 -0.47 0.98 0.00 0.00 173.24 172.49 2wb8 s TYR 569 N -2.96 2.70 -0.02 5.02 5.04 -1.26 -4.92 117.35 120.94 2wb8 s TYR 569 Ca 0.64 0.58 -0.37 0.00 -2.44 0.00 0.00 57.07 55.48 2wb8 s TYR 569 Cb -0.18 -3.83 -0.15 0.00 0.35 0.00 0.00 41.96 38.15 2wb8 s TYR 569 CO 0.57 -3.19 1.59 -2.30 -1.34 0.00 0.00 175.55 170.88 2wb8 n PRO 570 N 5.25 1.54 0.07 4.97 -0.02 -1.26 -4.82 135.00 140.72 2wb8 n PRO 570 Ca 0.14 0.56 0.20 0.00 -2.02 0.00 0.00 63.50 62.39 2wb8 n PRO 570 Cb 0.42 -2.27 0.74 0.00 -0.02 0.00 0.00 33.50 32.37 2wb8 n PRO 570 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2wb8 h PRO 571 N 6.33 0.00 -0.07 0.52 0.11 -1.99 0.16 132.00 137.05 2wb8 h PRO 571 Ca -0.47 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 2wb8 h PRO 571 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 2wb8 h PRO 571 CO 0.88 0.00 -0.64 -0.07 -0.21 0.00 0.00 178.00 177.96 2wb8 h LEU 572 N 0.00 0.31 -0.30 2.35 3.38 -1.93 -1.75 115.31 117.37 2wb8 h LEU 572 Ca 0.21 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2wb8 h LEU 572 Cb 1.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2wb8 h LEU 572 CO -0.00 0.86 -0.17 -0.07 0.09 0.00 0.00 178.44 179.15 2wb8 h LEU 573 N 0.19 0.66 -0.94 1.67 3.38 -1.06 -1.75 115.31 117.47 2wb8 h LEU 573 Ca -0.01 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 57.61 2wb8 h LEU 573 Cb 1.16 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.66 2wb8 h LEU 573 CO 0.10 0.94 0.59 -0.07 0.09 0.00 0.00 178.44 180.09 2wb8 h LEU 574 N 0.39 0.92 -0.05 1.67 3.38 -1.21 1.08 115.31 121.49 2wb8 h LEU 574 Ca 0.06 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2wb8 h LEU 574 Cb 0.70 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2wb8 h LEU 574 CO 0.05 0.57 -0.03 0.50 0.09 0.00 0.00 178.44 179.62 2wb8 h LYS 575 N 1.05 -0.03 -0.87 1.13 3.64 -1.23 0.13 116.57 120.39 2wb8 h LYS 575 Ca 0.42 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.82 2wb8 h LYS 575 Cb 0.23 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 2wb8 h LYS 575 CO -0.19 -0.02 0.57 0.00 -2.27 0.00 0.00 179.45 177.54 2wb8 h ALA 576 N 1.02 1.13 -0.89 5.00 0.00 -0.32 -0.57 119.26 124.63 2wb8 h ALA 576 Ca 0.03 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2wb8 h ALA 576 Cb 0.07 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 17.46 2wb8 h ALA 576 CO -0.06 0.46 0.55 2.35 0.00 0.00 0.00 179.25 182.55 2wb8 h TRP 577 N 1.14 1.01 -0.48 0.00 7.01 0.15 -2.68 115.95 122.11 2wb8 h TRP 577 Ca 0.33 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.29 2wb8 h TRP 577 Cb -0.07 -0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 26.65 2wb8 h TRP 577 CO -0.01 0.49 0.01 -0.44 -2.79 0.00 0.00 178.44 175.70 2wb8 h ASP 578 N 0.98 0.82 0.36 2.65 3.32 0.67 -2.74 116.42 122.47 2wb8 h ASP 578 Ca 0.40 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2wb8 h ASP 578 Cb 0.23 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2wb8 h ASP 578 CO -0.19 0.92 -0.25 -0.74 -1.72 0.00 0.00 179.24 177.26 2wb8 h HIS 579 N 0.69 -0.64 -0.66 4.55 2.76 -0.83 -2.05 115.15 118.97 2wb8 h HIS 579 Ca 0.14 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.41 2wb8 h HIS 579 Cb 0.49 0.24 -0.08 0.00 1.55 0.00 0.00 27.41 29.61 2wb8 h HIS 579 CO 0.04 -0.37 0.27 -0.92 -1.30 0.00 0.00 177.93 175.64 2wb8 h TYR 580 N -0.59 0.47 -0.32 5.26 3.20 -1.55 0.16 116.97 123.61 2wb8 h TYR 580 Ca -0.03 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.93 2wb8 h TYR 580 Cb 0.50 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2wb8 h TYR 580 CO -0.11 0.12 0.22 -0.97 -1.64 0.00 0.00 178.16 175.77 2wb8 h ASN 581 N 0.46 0.13 1.72 -2.11 -1.24 -1.19 0.60 115.58 113.95 2wb8 h ASN 581 Ca 0.34 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.30 2wb8 h ASN 581 Cb 0.43 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.45 2wb8 h ASN 581 CO -0.32 0.08 -0.28 0.28 -1.29 0.00 0.00 177.43 175.90 2wb8 h SER 582 N 0.15 0.00 0.00 1.15 0.02 -0.26 -3.22 113.55 111.39 2wb8 h SER 582 Ca 0.14 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 2wb8 h SER 582 Cb 0.39 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2wb8 h SER 582 CO -0.02 0.22 -1.17 0.35 -1.14 0.00 0.00 176.83 175.07 2wb8 n THR 583 N -3.13 0.17 -0.04 -2.27 -2.24 -0.57 -4.78 114.28 101.42 2wb8 n THR 583 Ca 0.03 -0.09 -0.04 0.00 -2.27 0.00 0.00 64.05 61.67 2wb8 n THR 583 Cb 0.62 -0.82 -0.07 0.00 -2.10 0.00 0.00 70.33 67.97 2wb8 n THR 583 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wb8 n LYS 584 N -2.28 2.53 0.00 -0.78 5.02 0.20 -5.08 118.16 117.77 2wb8 n LYS 584 Ca -0.05 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2wb8 n LYS 584 Cb 0.57 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 2wb8 n LYS 584 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wb8 n GLY 585 N 2.45 -0.38 3.68 0.72 0.00 -0.95 -5.01 105.19 105.69 2wb8 n GLY 585 Ca -0.15 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 2wb8 n GLY 585 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wb8 s SER 586 N -0.45 5.17 0.00 1.61 0.15 -1.26 -4.81 113.70 114.11 2wb8 s SER 586 Ca 0.00 0.10 0.20 0.00 0.70 0.00 0.00 55.95 56.95 2wb8 s SER 586 Cb 0.00 -1.42 0.67 0.00 -1.71 0.00 0.00 66.02 63.56 2wb8 s SER 586 CO 0.00 0.35 1.50 0.00 1.20 0.00 0.00 173.24 176.30 2wb8 n ALA 587 N 1.95 2.50 -2.84 5.45 0.00 -1.26 -4.98 120.51 121.33 2wb8 n ALA 587 Ca -0.17 -0.59 -0.24 0.00 0.00 0.00 0.00 53.44 52.43 2wb8 n ALA 587 Cb 0.53 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.89 2wb8 n ALA 587 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2wb8 s ASN 588 N -1.51 5.68 0.64 0.00 0.01 -1.26 -5.01 114.94 113.49 2wb8 s ASN 588 Ca 0.32 -0.13 -0.17 0.00 -0.71 0.00 0.00 52.86 52.17 2wb8 s ASN 588 Cb 0.18 -1.51 -0.01 0.00 0.41 0.00 0.00 41.25 40.31 2wb8 s ASN 588 CO 0.26 0.01 1.16 -1.81 -1.51 0.00 0.00 177.10 175.21 2wb8 s ASP 589 N -3.52 5.02 -0.15 -1.22 1.01 -1.26 -4.98 116.67 111.57 2wb8 s ASP 589 Ca 0.32 2.21 -0.29 0.00 0.71 0.00 0.00 52.55 55.50 2wb8 s ASP 589 Cb -0.09 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.25 2wb8 s ASP 589 CO 0.25 -1.70 1.25 -0.60 0.21 0.00 0.00 175.17 174.58 2wb8 s ARG 590 N -3.72 4.25 -0.37 8.23 3.52 -1.26 -4.91 118.95 124.69 2wb8 s ARG 590 Ca 0.72 1.66 -0.05 0.00 -0.13 0.00 0.00 55.73 57.94 2wb8 s ARG 590 Cb -0.25 -3.73 -0.14 0.00 -1.56 0.00 0.00 34.95 29.27 2wb8 s ARG 590 CO 0.38 -0.66 2.46 -0.35 -0.81 0.00 0.00 175.30 176.31 2wb8 n PRO 591 N 6.35 1.69 -0.25 5.12 -0.04 -1.26 -4.37 135.00 142.24 2wb8 n PRO 591 Ca 0.13 -0.98 0.08 0.00 -0.04 0.00 0.00 63.50 62.69 2wb8 n PRO 591 Cb 0.45 -2.07 0.21 0.00 -0.04 0.00 0.00 33.50 32.05 2wb8 n PRO 591 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2wb8 n ASP 592 N 3.15 3.28 -0.60 3.54 5.68 -1.26 -4.49 116.55 125.85 2wb8 n ASP 592 Ca 0.36 -2.02 0.05 0.00 -0.50 0.00 0.00 54.79 52.68 2wb8 n ASP 592 Cb 0.45 -0.32 0.13 0.00 -1.14 0.00 0.00 41.12 40.24 2wb8 n ASP 592 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 2wb8 n PHE 593 N 0.85 0.38 -2.70 2.11 -1.74 -1.26 -4.99 117.46 110.11 2wb8 n PHE 593 Ca 0.16 -0.42 -0.41 0.00 -0.56 0.00 0.00 57.45 56.22 2wb8 n PHE 593 Cb 0.50 -0.02 -0.04 0.00 1.52 0.00 0.00 39.48 41.43 2wb8 n PHE 593 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 2wb8 s PHE 594 N -0.99 3.78 0.73 2.97 0.08 -1.26 -5.03 117.98 118.26 2wb8 s PHE 594 Ca 0.21 1.77 -0.07 0.00 0.12 0.00 0.00 56.93 58.96 2wb8 s PHE 594 Cb 0.11 -3.09 0.08 0.00 -0.57 0.00 0.00 43.02 39.56 2wb8 s PHE 594 CO 0.15 0.09 1.04 0.21 -0.10 0.00 0.00 175.22 176.61 2wb8 s LYS 595 N 0.04 1.97 0.00 0.44 2.47 -1.26 -4.41 119.74 118.98 2wb8 s LYS 595 Ca 0.48 -0.38 0.29 0.00 -1.56 0.00 0.00 55.97 54.80 2wb8 s LYS 595 Cb -0.24 -2.16 1.65 0.00 -1.46 0.00 0.00 37.83 35.62 2wb8 s LYS 595 CO 0.30 -1.38 2.07 -0.40 0.16 0.00 0.00 175.35 176.10 2wb8 n ASP 596 N -2.99 0.26 -0.73 1.43 5.75 -1.26 -2.03 116.55 116.98 2wb8 n ASP 596 Ca 0.10 -1.15 0.10 0.00 -0.01 0.00 0.00 54.79 53.83 2wb8 n ASP 596 Cb 0.60 -0.00 0.31 0.00 -1.03 0.00 0.00 41.12 41.00 2wb8 n ASP 596 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2wb8 n ASP 597 N -0.77 2.17 -4.72 -1.12 5.75 -1.26 -3.25 116.55 113.35 2wb8 n ASP 597 Ca 0.22 -1.81 -0.42 0.00 -0.01 0.00 0.00 54.79 52.77 2wb8 n ASP 597 Cb 0.15 -0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 40.04 2wb8 n ASP 597 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 2wb8 s GLN 598 N -1.68 4.46 -0.12 0.11 2.00 -0.86 -4.74 119.66 118.83 2wb8 s GLN 598 Ca 0.33 1.81 -0.08 0.00 -2.00 0.00 0.00 55.36 55.42 2wb8 s GLN 598 Cb 0.18 -3.30 -0.04 0.00 0.80 0.00 0.00 33.01 30.65 2wb8 s GLN 598 CO 0.27 -0.19 0.17 -0.51 -0.50 0.00 0.00 175.29 174.53 2wb8 s LEU 599 N 0.56 4.38 0.06 3.68 1.43 -1.25 -0.91 118.68 126.63 2wb8 s LEU 599 Ca 0.57 0.50 0.05 0.00 -1.03 0.00 0.00 54.13 54.21 2wb8 s LEU 599 Cb -0.31 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 2wb8 s LEU 599 CO 0.32 0.37 -0.15 -0.36 0.23 0.00 0.00 176.35 176.76 2wb8 s PHE 600 N -0.86 1.25 -0.15 0.29 0.08 0.51 -0.00 117.98 119.10 2wb8 s PHE 600 Ca 0.15 -0.43 -0.15 0.00 0.12 0.00 0.00 56.93 56.63 2wb8 s PHE 600 Cb -0.12 -0.72 -0.05 0.00 -0.57 0.00 0.00 43.02 41.57 2wb8 s PHE 600 CO 0.04 0.06 0.34 0.42 -0.10 0.00 0.00 175.22 175.98 2wb8 s ILE 601 N -1.14 5.27 -0.27 0.64 -1.09 0.41 0.16 121.20 125.19 2wb8 s ILE 601 Ca -0.00 0.65 -0.02 0.00 -2.23 0.00 0.00 60.65 59.05 2wb8 s ILE 601 Cb -0.09 -3.68 0.03 0.00 -1.58 0.00 0.00 42.46 37.14 2wb8 s ILE 601 CO 0.02 0.38 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.38 2wb8 s VAL 602 N 0.47 2.93 -0.24 2.92 1.01 -0.09 -0.84 120.40 126.55 2wb8 s VAL 602 Ca 0.19 -1.13 -0.10 0.00 0.00 0.00 0.00 61.98 60.93 2wb8 s VAL 602 Cb -0.14 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 2wb8 s VAL 602 CO 0.06 0.10 0.15 -0.76 0.00 0.00 0.00 175.10 174.64 2wb8 s LEU 603 N 1.30 4.02 -0.41 3.92 1.02 -0.50 -1.38 118.68 126.66 2wb8 s LEU 603 Ca -0.02 0.07 -0.15 0.00 0.02 0.00 0.00 54.13 54.05 2wb8 s LEU 603 Cb -0.18 -2.08 0.02 0.00 0.02 0.00 0.00 46.19 43.97 2wb8 s LEU 603 CO -0.03 0.05 0.31 -0.70 0.02 0.00 0.00 176.35 176.00 2wb8 s GLU 604 N 1.13 2.98 0.20 1.70 2.12 -0.02 -1.24 118.70 125.57 2wb8 s GLU 604 Ca 0.07 -1.00 0.06 0.00 0.36 0.00 0.00 54.97 54.45 2wb8 s GLU 604 Cb -0.14 -3.98 -0.04 0.00 0.26 0.00 0.00 34.13 30.24 2wb8 s GLU 604 CO 0.05 -0.76 0.18 -0.06 -0.54 0.00 0.00 175.26 174.13 2wb8 s PHE 605 N 1.71 3.17 0.85 5.30 0.08 0.36 -0.42 117.98 129.02 2wb8 s PHE 605 Ca 0.05 -0.05 -0.11 0.00 0.12 0.00 0.00 56.93 56.94 2wb8 s PHE 605 Cb -0.19 -1.48 0.11 0.00 -0.57 0.00 0.00 43.02 40.89 2wb8 s PHE 605 CO 0.10 0.52 1.15 -1.21 -0.10 0.00 0.00 175.22 175.68 2wb8 s GLU 606 N -3.46 1.49 -0.19 0.44 2.02 -0.03 -1.64 118.70 117.33 2wb8 s GLU 606 Ca 0.32 1.54 -0.23 0.00 0.02 0.00 0.00 54.97 56.61 2wb8 s GLU 606 Cb -0.09 -1.78 -0.02 0.00 0.10 0.00 0.00 34.13 32.34 2wb8 s GLU 606 CO 0.25 -2.28 0.76 0.12 0.02 0.00 0.00 175.26 174.13 2wb8 s PHE 607 N -2.53 3.38 -1.58 1.61 5.36 -1.18 -4.28 117.98 118.76 2wb8 s PHE 607 Ca 0.68 1.11 0.25 0.00 -0.96 0.00 0.00 56.93 58.01 2wb8 s PHE 607 Cb -0.23 -2.94 0.46 0.00 -0.34 0.00 0.00 43.02 39.97 2wb8 s PHE 607 CO 0.55 -0.25 1.38 0.41 -1.46 0.00 0.00 175.22 175.85 2wb8 n GLY 608 N 3.64 -0.65 0.00 13.12 0.00 -1.26 -5.00 105.19 115.04 2wb8 n GLY 608 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2wb8 n GLY 608 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wb8 n GLY 609 N 1.40 0.55 3.42 -0.02 0.00 -1.26 -3.44 105.19 105.85 2wb8 n GLY 609 Ca 0.09 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 2wb8 n GLY 609 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wb8 s ILE 610 N 0.00 2.56 0.62 -0.61 -1.09 -0.71 -4.71 121.20 117.27 2wb8 s ILE 610 Ca 0.00 -1.37 -0.12 0.00 -2.23 0.00 0.00 60.65 56.93 2wb8 s ILE 610 Cb 0.00 -2.08 -0.03 0.00 -1.58 0.00 0.00 42.46 38.76 2wb8 s ILE 610 CO 0.00 0.27 1.03 1.51 -1.23 0.00 0.00 174.94 176.52 2wb8 s ASP 611 N -1.59 6.03 0.21 3.58 1.47 -1.26 -1.17 116.67 123.94 2wb8 s ASP 611 Ca 0.14 1.53 -0.10 0.00 1.18 0.00 0.00 52.55 55.31 2wb8 s ASP 611 Cb -0.10 -2.49 0.17 0.00 -0.34 0.00 0.00 42.92 40.16 2wb8 s ASP 611 CO 0.05 -1.01 1.88 0.25 0.68 0.00 0.00 175.17 177.03 2wb8 h LEU 612 N -0.16 0.87 -0.46 2.11 5.85 -0.69 -0.73 115.31 122.11 2wb8 h LEU 612 Ca -0.45 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.35 2wb8 h LEU 612 Cb 1.20 -0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.91 2wb8 h LEU 612 CO 0.60 0.63 -0.24 -0.08 -0.34 0.00 0.00 178.44 179.01 2wb8 h GLU 613 N 1.03 -0.14 0.00 1.25 4.81 -1.80 0.17 114.58 119.90 2wb8 h GLU 613 Ca 0.29 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.46 2wb8 h GLU 613 Cb -0.10 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2wb8 h GLU 613 CO -0.07 -0.09 -0.32 1.96 -0.73 0.00 0.00 179.01 179.76 2wb8 h GLN 614 N -0.14 0.00 -0.01 1.92 4.20 -1.52 -0.47 115.11 119.09 2wb8 h GLN 614 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2wb8 h GLN 614 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2wb8 h GLN 614 CO -0.55 0.32 -0.06 -1.33 -0.67 0.00 0.00 178.83 176.54 2wb8 n MET 615 N -3.68 1.15 0.00 1.46 2.81 -0.43 -4.47 117.12 113.96 2wb8 n MET 615 Ca -0.01 -0.49 0.00 0.00 -1.81 0.00 0.00 57.70 55.39 2wb8 n MET 615 Cb 0.43 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 2wb8 n MET 615 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2wb8 n ARG 616 N -0.50 0.00 -0.01 0.03 0.63 0.51 -1.00 116.66 116.32 2wb8 n ARG 616 Ca 0.18 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.12 2wb8 n ARG 616 Cb 0.28 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.20 2wb8 n ARG 616 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2wb8 n THR 617 N -3.58 1.07 0.42 5.15 -2.24 -1.26 -1.86 114.28 111.98 2wb8 n THR 617 Ca 0.00 -1.11 0.04 0.00 -2.27 0.00 0.00 64.05 60.71 2wb8 n THR 617 Cb 0.00 0.43 -0.04 0.00 -2.10 0.00 0.00 70.33 68.62 2wb8 n THR 617 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wb8 n LYS 618 N -0.59 3.50 -2.24 -0.78 4.76 -0.17 -4.54 118.16 118.10 2wb8 n LYS 618 Ca 0.02 -0.16 -0.42 0.00 -2.87 0.00 0.00 58.31 54.87 2wb8 n LYS 618 Cb 0.31 -0.96 -0.03 0.00 -1.84 0.00 0.00 35.03 32.51 2wb8 n LYS 618 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wb8 s LEU 619 N -2.20 4.27 0.04 -0.35 2.01 -1.16 -4.85 118.68 116.45 2wb8 s LEU 619 Ca 0.05 1.99 -0.20 0.00 0.01 0.00 0.00 54.13 55.98 2wb8 s LEU 619 Cb 0.07 -3.54 -0.14 0.00 0.01 0.00 0.00 46.19 42.58 2wb8 s LEU 619 CO 0.33 -0.78 1.34 0.77 1.01 0.00 0.00 176.35 179.02 2wb8 h SER 620 N 8.42 0.43 -5.63 2.29 4.64 -1.93 -2.83 113.55 118.94 2wb8 h SER 620 Ca -0.34 -0.49 -0.30 0.00 -0.47 0.00 0.00 61.79 60.19 2wb8 h SER 620 Cb 1.15 -0.12 -0.12 0.00 -0.31 0.00 0.00 62.40 63.00 2wb8 h SER 620 CO 0.94 0.83 -0.42 -0.94 -0.87 0.00 0.00 176.83 176.37 2wb8 s SER 621 N -6.19 0.79 0.53 4.97 1.04 -1.26 -0.05 113.70 113.52 2wb8 s SER 621 Ca -0.14 -1.48 0.27 0.00 0.48 0.00 0.00 55.95 55.09 2wb8 s SER 621 Cb 0.05 0.53 1.49 0.00 0.10 0.00 0.00 66.02 68.19 2wb8 s SER 621 CO 0.76 -1.06 2.10 -0.07 0.98 0.00 0.00 173.24 175.96 2wb8 h LEU 622 N 2.30 0.00 -1.33 2.42 -0.00 -1.93 -2.77 115.31 114.00 2wb8 h LEU 622 Ca -0.29 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.52 2wb8 h LEU 622 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.89 2wb8 h LEU 622 CO 0.42 0.10 -0.30 0.00 -0.00 0.00 0.00 178.44 178.66 2wb8 h ALA 623 N 1.90 1.45 -0.03 1.53 0.00 -1.95 -2.16 119.26 119.99 2wb8 h ALA 623 Ca -0.00 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 2wb8 h ALA 623 Cb 0.28 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2wb8 h ALA 623 CO 0.01 0.41 -0.66 0.00 0.00 0.00 0.00 179.25 179.01 2wb8 h THR 624 N 0.05 1.38 -0.36 0.00 1.03 -1.85 -2.75 112.91 110.40 2wb8 h THR 624 Ca 0.01 -2.04 0.06 0.00 -0.01 0.00 0.00 66.41 64.43 2wb8 h THR 624 Cb 0.56 2.43 -0.05 0.00 -1.07 0.00 0.00 68.15 70.01 2wb8 h THR 624 CO 0.04 0.61 0.03 0.00 -0.01 0.00 0.00 175.52 176.19 2wb8 h ALA 625 N 0.38 0.36 -0.87 0.00 0.00 -1.46 -0.32 119.26 117.35 2wb8 h ALA 625 Ca -0.07 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.02 2wb8 h ALA 625 Cb 1.34 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 19.21 2wb8 h ALA 625 CO 0.13 -0.37 0.56 -0.22 0.00 0.00 0.00 179.25 179.35 2wb8 h LYS 626 N 0.14 0.85 0.93 0.00 3.64 -1.43 0.07 116.57 120.77 2wb8 h LYS 626 Ca 0.18 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 2wb8 h LYS 626 Cb 0.23 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2wb8 h LYS 626 CO -0.27 0.56 -0.45 1.03 -2.27 0.00 0.00 179.45 178.06 2wb8 h SER 627 N 0.87 -1.05 -0.49 4.20 0.87 -0.81 0.16 113.55 117.30 2wb8 h SER 627 Ca 0.40 0.03 0.10 0.00 -1.23 0.00 0.00 61.79 61.09 2wb8 h SER 627 Cb 0.38 0.27 -0.10 0.00 -0.44 0.00 0.00 62.40 62.51 2wb8 h SER 627 CO -0.16 -0.72 -0.17 0.40 -0.53 0.00 0.00 176.83 175.65 2wb8 h ILE 628 N -1.31 0.43 -0.77 2.23 2.04 -0.95 0.66 117.51 119.83 2wb8 h ILE 628 Ca -0.13 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.74 2wb8 h ILE 628 Cb 0.96 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 2wb8 h ILE 628 CO 0.21 0.00 0.51 -0.07 0.00 0.00 0.00 178.15 178.80 2wb8 h LEU 629 N -0.06 0.88 -0.33 1.44 3.38 -0.90 0.36 115.31 120.09 2wb8 h LEU 629 Ca 0.23 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.19 2wb8 h LEU 629 Cb 0.41 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2wb8 h LEU 629 CO -0.53 0.64 0.20 -0.74 0.09 0.00 0.00 178.44 178.10 2wb8 h HIS 630 N 1.04 0.37 -0.74 1.13 2.76 0.11 -0.99 115.15 118.84 2wb8 h HIS 630 Ca 0.28 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.42 2wb8 h HIS 630 Cb -0.12 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 28.69 2wb8 h HIS 630 CO -0.02 0.22 0.28 1.96 -1.30 0.00 0.00 177.93 179.07 2wb8 h GLN 631 N 0.41 1.11 0.17 5.26 4.20 0.99 -2.14 115.11 125.11 2wb8 h GLN 631 Ca 0.13 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2wb8 h GLN 631 Cb -0.01 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.59 2wb8 h GLN 631 CO -0.05 0.91 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.86 2wb8 h LEU 632 N 1.08 -0.19 -1.37 1.46 3.38 -0.76 -2.32 115.31 116.59 2wb8 h LEU 632 Ca 0.25 -0.18 0.14 0.00 0.09 0.00 0.00 57.88 58.17 2wb8 h LEU 632 Cb 0.23 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 2wb8 h LEU 632 CO -0.02 0.07 0.55 0.74 0.09 0.00 0.00 178.44 179.88 2wb8 h THR 633 N -0.47 0.84 -0.01 0.22 2.02 -0.95 -1.44 112.91 113.12 2wb8 h THR 633 Ca -0.02 -0.22 -0.18 0.00 0.77 0.00 0.00 66.41 66.76 2wb8 h THR 633 Cb 0.36 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2wb8 h THR 633 CO 0.04 0.11 -0.69 0.00 0.37 0.00 0.00 175.52 175.35 2wb8 h ALA 634 N 1.61 0.10 -0.09 6.16 0.00 -1.31 -0.38 119.26 125.35 2wb8 h ALA 634 Ca 0.42 -0.59 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2wb8 h ALA 634 Cb 0.72 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2wb8 h ALA 634 CO -0.18 0.44 -0.02 0.77 0.00 0.00 0.00 179.25 180.26 2wb8 h SER 635 N 0.04 -0.07 -0.83 0.00 0.02 -1.05 0.16 113.55 111.82 2wb8 h SER 635 Ca -0.08 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2wb8 h SER 635 Cb 1.38 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.93 2wb8 h SER 635 CO 0.14 -0.02 0.45 -0.07 -1.14 0.00 0.00 176.83 176.19 2wb8 h LEU 636 N 0.01 1.04 -0.33 5.07 3.38 -1.26 0.26 115.31 123.48 2wb8 h LEU 636 Ca 0.04 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2wb8 h LEU 636 Cb 0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2wb8 h LEU 636 CO -0.09 0.84 0.07 0.00 0.09 0.00 0.00 178.44 179.35 2wb8 h ALA 637 N 1.33 0.43 -0.75 1.53 0.00 -0.55 0.20 119.26 121.45 2wb8 h ALA 637 Ca 0.29 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wb8 h ALA 637 Cb 0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2wb8 h ALA 637 CO -0.05 0.11 0.46 0.28 0.00 0.00 0.00 179.25 180.06 2wb8 h VAL 638 N 0.37 1.21 -0.16 0.00 2.07 -0.32 -1.29 116.25 118.13 2wb8 h VAL 638 Ca 0.10 -0.46 -0.13 0.00 0.82 0.00 0.00 66.70 67.03 2wb8 h VAL 638 Cb 0.32 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2wb8 h VAL 638 CO 0.00 0.22 -0.47 0.00 0.02 0.00 0.00 177.57 177.34 2wb8 h ALA 639 N 1.24 0.89 -0.64 1.67 0.00 -0.64 -1.23 119.26 120.54 2wb8 h ALA 639 Ca 0.27 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2wb8 h ALA 639 Cb -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2wb8 h ALA 639 CO -0.05 0.66 0.33 0.93 0.00 0.00 0.00 179.25 181.12 2wb8 h GLU 640 N 0.33 0.91 -0.06 0.00 5.08 -0.30 -0.55 114.58 119.99 2wb8 h GLU 640 Ca 0.02 -0.12 -0.24 0.00 -1.00 0.00 0.00 59.36 58.02 2wb8 h GLU 640 Cb 0.96 -0.17 0.02 0.00 0.50 0.00 0.00 28.75 30.05 2wb8 h GLU 640 CO 0.08 0.70 -0.91 0.00 -1.00 0.00 0.00 179.01 177.88 2wb8 h ALA 641 N 1.16 0.19 -0.03 3.43 0.00 -0.99 -1.73 119.26 121.30 2wb8 h ALA 641 Ca 0.22 -0.65 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 2wb8 h ALA 641 Cb 0.07 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2wb8 h ALA 641 CO -0.03 0.66 -0.54 1.03 0.00 0.00 0.00 179.25 180.37 2wb8 h SER 642 N 0.43 0.52 0.00 0.00 0.87 -1.23 -3.41 113.55 110.73 2wb8 h SER 642 Ca -0.10 -0.73 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 2wb8 h SER 642 Cb 1.56 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 2wb8 h SER 642 CO 0.18 1.17 0.00 0.18 -0.53 0.00 0.00 176.83 177.84 2wb8 n LEU 643 N -4.26 0.77 -3.84 2.23 4.77 -0.23 -5.01 117.00 111.44 2wb8 n LEU 643 Ca -0.10 -0.78 -0.28 0.00 -0.03 0.00 0.00 56.01 54.82 2wb8 n LEU 643 Cb 0.63 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.73 2wb8 n LEU 643 CO 0.46 0.19 -0.16 0.54 -1.33 0.00 0.00 177.39 177.09 2wb8 n ARG 644 N -0.02 -2.48 -3.50 3.23 1.74 -0.65 -0.46 116.66 114.52 2wb8 n ARG 644 Ca 0.00 0.42 -0.38 0.00 -0.77 0.00 0.00 57.85 57.13 2wb8 n ARG 644 Cb 0.05 -4.33 -0.06 0.00 -1.02 0.00 0.00 32.46 27.10 2wb8 n ARG 644 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2wb8 s PHE 645 N -3.73 3.72 -0.04 -1.55 5.36 -1.16 -4.22 117.98 116.36 2wb8 s PHE 645 Ca 0.20 0.98 0.04 0.00 -0.96 0.00 0.00 56.93 57.19 2wb8 s PHE 645 Cb -0.08 -2.30 -0.00 0.00 -0.34 0.00 0.00 43.02 40.31 2wb8 s PHE 645 CO 0.88 0.63 -0.14 -1.21 -1.46 0.00 0.00 175.22 173.91 2wb8 s GLU 646 N -1.00 1.49 -0.02 10.12 2.02 0.06 -4.42 118.70 126.95 2wb8 s GLU 646 Ca 0.24 -0.49 -0.24 0.00 0.02 0.00 0.00 54.97 54.49 2wb8 s GLU 646 Cb -0.17 -1.32 -0.17 0.00 0.10 0.00 0.00 34.13 32.57 2wb8 s GLU 646 CO 0.13 0.19 1.14 1.25 0.02 0.00 0.00 175.26 177.98 2wb8 h HIS 647 N 6.34 -0.21 0.00 1.61 -0.00 -1.93 -1.86 115.15 119.10 2wb8 h HIS 647 Ca -0.33 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.04 2wb8 h HIS 647 Cb 1.17 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.65 2wb8 h HIS 647 CO 0.44 0.20 0.00 0.54 -0.00 0.00 0.00 177.93 179.11 2wb8 n ARG 648 N -4.98 -0.47 -2.69 5.26 1.74 -1.26 -3.13 116.66 111.13 2wb8 n ARG 648 Ca -0.09 0.12 -0.06 0.00 -0.77 0.00 0.00 57.85 57.05 2wb8 n ARG 648 Cb 0.26 -3.57 0.12 0.00 -1.02 0.00 0.00 32.46 28.25 2wb8 n ARG 648 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2wb8 n ASP 649 N -0.23 -1.80 -2.42 0.55 2.03 -1.26 -4.92 116.55 108.49 2wb8 n ASP 649 Ca 0.00 -2.40 -0.25 0.00 0.52 0.00 0.00 54.79 52.66 2wb8 n ASP 649 Cb 0.12 0.95 -0.07 0.00 -0.72 0.00 0.00 41.12 41.40 2wb8 n ASP 649 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2wb8 n LEU 650 N -0.81 6.34 -4.73 -2.67 7.94 -1.26 -4.88 117.00 116.94 2wb8 n LEU 650 Ca -0.07 -3.95 -0.31 0.00 -1.11 0.00 0.00 56.01 50.58 2wb8 n LEU 650 Cb 0.85 -1.25 0.12 0.00 0.53 0.00 0.00 43.42 43.68 2wb8 n LEU 650 CO -0.10 1.71 0.68 -1.38 -1.11 0.00 0.00 177.39 177.20 2wb8 s HIS 651 N -1.44 2.24 -1.13 1.96 -3.43 -1.26 -4.84 115.29 107.39 2wb8 s HIS 651 Ca 0.59 1.56 0.11 0.00 -0.80 0.00 0.00 55.06 56.51 2wb8 s HIS 651 Cb 0.37 -3.14 0.48 0.00 -1.43 0.00 0.00 32.58 28.86 2wb8 s HIS 651 CO -0.19 -2.23 1.31 -2.67 -2.00 0.00 0.00 174.74 168.95 2wb8 n TRP 652 N -3.82 0.00 0.45 0.38 4.27 -1.26 -0.74 117.44 116.72 2wb8 n TRP 652 Ca 0.09 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.83 2wb8 n TRP 652 Cb 0.53 -0.44 0.45 0.00 -1.36 0.00 0.00 31.31 30.50 2wb8 n TRP 652 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 2wb8 h GLY 653 N 1.82 0.00 -3.07 -1.67 0.00 -1.95 -2.54 103.07 95.65 2wb8 h GLY 653 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wb8 h GLY 653 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 2wb8 n ASN 654 N -2.44 4.73 -4.06 0.19 3.02 0.08 -4.74 115.26 112.05 2wb8 n ASN 654 Ca 0.03 -2.43 -0.32 0.00 -0.03 0.00 0.00 54.58 51.83 2wb8 n ASN 654 Cb 0.34 -0.58 -0.16 0.00 -0.61 0.00 0.00 39.78 38.78 2wb8 n ASN 654 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wb8 s VAL 655 N -1.84 1.95 0.05 2.41 1.01 -1.24 -2.03 120.40 120.71 2wb8 s VAL 655 Ca 0.51 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2wb8 s VAL 655 Cb 0.33 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 2wb8 s VAL 655 CO 0.25 0.23 0.05 -0.76 0.00 0.00 0.00 175.10 174.86 2wb8 s LEU 656 N 1.27 3.70 -0.06 3.92 1.43 -0.17 -1.07 118.68 127.70 2wb8 s LEU 656 Ca -0.02 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 2wb8 s LEU 656 Cb -0.16 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.77 2wb8 s LEU 656 CO -0.09 0.21 -0.09 -0.76 0.23 0.00 0.00 176.35 175.85 2wb8 s LEU 657 N -2.12 1.53 0.03 1.79 1.43 -0.32 -0.78 118.68 120.26 2wb8 s LEU 657 Ca 0.26 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.19 2wb8 s LEU 657 Cb -0.12 -0.67 -0.02 0.00 0.03 0.00 0.00 46.19 45.41 2wb8 s LEU 657 CO 0.18 0.00 -0.17 -0.75 0.23 0.00 0.00 176.35 175.84 2wb8 s LYS 658 N 0.74 1.15 0.30 1.70 2.20 -0.43 -1.73 119.74 123.66 2wb8 s LYS 658 Ca -0.13 -0.79 -0.29 0.00 -0.36 0.00 0.00 55.97 54.39 2wb8 s LYS 658 Cb -0.15 -1.19 -0.10 0.00 -1.51 0.00 0.00 37.83 34.88 2wb8 s LYS 658 CO 0.02 0.30 1.34 0.15 -0.36 0.00 0.00 175.35 176.81 2wb8 s LYS 659 N -1.03 4.33 0.05 4.03 1.02 -1.26 -0.05 119.74 126.83 2wb8 s LYS 659 Ca 0.04 2.22 0.04 0.00 0.02 0.00 0.00 55.97 58.30 2wb8 s LYS 659 Cb -0.08 -3.09 -0.03 0.00 -0.52 0.00 0.00 37.83 34.11 2wb8 s LYS 659 CO 0.01 -0.25 -0.11 -0.08 -0.92 0.00 0.00 175.35 174.00 2wb8 s THR 660 N -0.74 0.84 -1.31 2.17 -1.32 -0.67 -4.80 115.64 109.81 2wb8 s THR 660 Ca 0.52 -1.15 0.26 0.00 -1.21 0.00 0.00 61.69 60.11 2wb8 s THR 660 Cb -0.40 -0.84 0.12 0.00 -1.51 0.00 0.00 72.50 69.87 2wb8 s THR 660 CO 0.49 -0.27 1.49 -1.54 -2.21 0.00 0.00 174.62 172.58 2wb8 n SER 661 N 1.45 0.70 -4.76 8.08 3.41 -1.26 -4.61 113.62 116.63 2wb8 n SER 661 Ca -0.21 -0.50 -0.41 0.00 -0.26 0.00 0.00 58.87 57.48 2wb8 n SER 661 Cb 0.54 0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 64.67 2wb8 n SER 661 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2wb8 s LEU 662 N -2.79 4.40 0.06 1.04 1.43 -1.26 -4.94 118.68 116.61 2wb8 s LEU 662 Ca 0.17 2.70 -0.15 0.00 -1.03 0.00 0.00 54.13 55.82 2wb8 s LEU 662 Cb 0.18 -3.64 -0.28 0.00 0.03 0.00 0.00 46.19 42.49 2wb8 s LEU 662 CO 0.62 -0.64 1.12 0.07 0.23 0.00 0.00 176.35 177.75 2wb8 h LYS 663 N 4.15 0.64 -4.66 1.70 5.09 -1.95 -3.41 116.57 118.12 2wb8 h LYS 663 Ca -0.48 -0.82 -0.51 0.00 0.09 0.00 0.00 60.65 58.94 2wb8 h LYS 663 Cb 1.22 0.26 -0.33 0.00 0.10 0.00 0.00 32.23 33.49 2wb8 h LYS 663 CO 0.71 1.37 -0.81 0.15 -2.09 0.00 0.00 179.45 178.78 2wb8 s LYS 664 N -3.05 1.57 0.15 0.07 1.02 -1.26 -0.91 119.74 117.32 2wb8 s LYS 664 Ca -0.10 -0.42 0.03 0.00 0.02 0.00 0.00 55.97 55.50 2wb8 s LYS 664 Cb 0.06 -1.33 -0.04 0.00 -0.52 0.00 0.00 37.83 36.00 2wb8 s LYS 664 CO 0.93 0.07 0.26 -0.51 -0.92 0.00 0.00 175.35 175.18 2wb8 s LEU 665 N 0.49 4.24 0.03 3.17 1.43 0.60 -4.87 118.68 123.77 2wb8 s LEU 665 Ca -0.11 0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.17 2wb8 s LEU 665 Cb -0.14 -2.82 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 2wb8 s LEU 665 CO 0.03 0.05 -0.20 -1.00 0.23 0.00 0.00 176.35 175.47 2wb8 s HIS 666 N -1.74 1.74 0.14 0.29 3.76 -1.26 0.20 115.29 118.41 2wb8 s HIS 666 Ca 0.34 -0.36 -0.03 0.00 -0.15 0.00 0.00 55.06 54.86 2wb8 s HIS 666 Cb -0.11 -1.06 -0.03 0.00 1.11 0.00 0.00 32.58 32.49 2wb8 s HIS 666 CO 0.28 0.05 0.11 1.52 -0.85 0.00 0.00 174.74 175.85 2wb8 s TYR 667 N -0.70 0.74 -0.11 1.40 1.13 -0.70 -4.62 117.35 114.48 2wb8 s TYR 667 Ca 0.07 -1.11 -0.00 0.00 -1.41 0.00 0.00 57.07 54.61 2wb8 s TYR 667 Cb -0.08 -0.37 0.02 0.00 -1.10 0.00 0.00 41.96 40.43 2wb8 s TYR 667 CO 0.01 -0.57 -0.08 0.99 -2.51 0.00 0.00 175.55 173.40 2wb8 s THR 668 N -4.03 1.02 -0.21 -3.49 2.01 0.91 -1.27 115.64 110.58 2wb8 s THR 668 Ca 0.22 -0.29 -0.01 0.00 0.31 0.00 0.00 61.69 61.92 2wb8 s THR 668 Cb 0.06 -1.04 0.01 0.00 0.01 0.00 0.00 72.50 71.55 2wb8 s THR 668 CO 0.01 0.37 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.97 2wb8 s LEU 669 N 1.70 2.65 -1.52 4.42 2.96 -0.20 -0.37 118.68 128.33 2wb8 s LEU 669 Ca 0.05 -0.65 -0.03 0.00 -0.22 0.00 0.00 54.13 53.28 2wb8 s LEU 669 Cb -0.13 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 44.98 2wb8 s LEU 669 CO -0.08 -0.04 0.26 0.59 -1.32 0.00 0.00 176.35 175.76 2wb8 n ASN 670 N 4.68 -0.02 0.00 3.68 3.02 -1.09 -1.65 115.26 123.88 2wb8 n ASN 670 Ca -0.19 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 2wb8 n ASN 670 Cb 0.49 -2.30 0.00 0.00 -0.61 0.00 0.00 39.78 37.36 2wb8 n ASN 670 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wb8 n GLY 671 N -2.17 3.24 3.54 7.41 0.00 -0.05 -5.01 105.19 112.15 2wb8 n GLY 671 Ca -0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 2wb8 n GLY 671 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wb8 s LYS 672 N -0.51 3.59 0.39 1.61 2.20 -0.66 -5.02 119.74 121.34 2wb8 s LYS 672 Ca 0.00 -0.48 -0.24 0.00 -0.36 0.00 0.00 55.97 54.88 2wb8 s LYS 672 Cb 0.00 -3.79 -0.09 0.00 -1.51 0.00 0.00 37.83 32.44 2wb8 s LYS 672 CO 0.00 -0.45 1.04 -1.12 -0.36 0.00 0.00 175.35 174.46 2wb8 s SER 673 N 1.73 6.82 0.23 1.43 0.01 -1.26 -1.03 113.70 121.63 2wb8 s SER 673 Ca 0.09 2.01 -0.10 0.00 1.31 0.00 0.00 55.95 59.26 2wb8 s SER 673 Cb -0.17 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.47 2wb8 s SER 673 CO 0.11 -0.44 0.39 -0.44 0.41 0.00 0.00 173.24 173.27 2wb8 s SER 674 N -1.58 -0.03 0.24 2.44 0.01 -0.40 -4.98 113.70 109.40 2wb8 s SER 674 Ca 0.57 -1.01 0.10 0.00 1.31 0.00 0.00 55.95 56.92 2wb8 s SER 674 Cb -0.21 0.53 -0.05 0.00 0.21 0.00 0.00 66.02 66.50 2wb8 s SER 674 CO 0.27 -1.06 -0.18 0.42 0.41 0.00 0.00 173.24 173.10 2wb8 s THR 675 N -4.04 2.14 -0.06 1.44 -4.23 -1.26 -1.73 115.64 107.90 2wb8 s THR 675 Ca 0.25 -2.27 0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2wb8 s THR 675 Cb 0.01 -2.15 0.02 0.00 1.34 0.00 0.00 72.50 71.72 2wb8 s THR 675 CO 0.09 -0.45 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.01 2wb8 s ILE 676 N -2.60 0.83 0.13 2.99 1.01 0.13 -4.93 121.20 118.76 2wb8 s ILE 676 Ca 0.25 -0.28 -0.31 0.00 0.00 0.00 0.00 60.65 60.31 2wb8 s ILE 676 Cb -0.04 -0.81 -0.09 0.00 0.01 0.00 0.00 42.46 41.53 2wb8 s ILE 676 CO 0.11 0.30 1.59 -2.84 0.00 0.00 0.00 174.94 174.09 2wb8 s PRO 677 N 0.94 4.22 0.39 2.79 0.02 -1.26 -0.29 135.00 141.80 2wb8 s PRO 677 Ca -0.10 2.33 0.18 0.00 0.02 0.00 0.00 61.00 63.43 2wb8 s PRO 677 Cb -0.15 -3.32 0.82 0.00 0.02 0.00 0.00 34.50 31.87 2wb8 s PRO 677 CO 0.01 -0.64 1.82 0.66 -0.33 0.00 0.00 177.00 178.52 2wb8 h SER 678 N 7.35 0.00 -3.51 2.53 4.64 -1.27 -3.45 113.55 119.83 2wb8 h SER 678 Ca -0.43 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.86 2wb8 h SER 678 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2wb8 h SER 678 CO 0.92 0.34 -0.04 0.00 -0.87 0.00 0.00 176.83 177.18 2wb8 n GLY 680 N -0.31 0.74 3.03 0.00 0.00 -1.26 -4.93 105.19 102.47 2wb8 n GLY 680 Ca -0.02 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 2wb8 n GLY 680 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wb8 s LEU 681 N 0.00 2.08 -0.19 0.99 1.43 -0.77 -1.67 118.68 120.55 2wb8 s LEU 681 Ca 0.00 -0.26 -0.05 0.00 -1.03 0.00 0.00 54.13 52.79 2wb8 s LEU 681 Cb 0.00 -0.40 -0.03 0.00 0.03 0.00 0.00 46.19 45.79 2wb8 s LEU 681 CO 0.00 0.04 0.01 -1.58 0.23 0.00 0.00 176.35 175.05 2wb8 s GLN 682 N -0.56 3.72 0.02 1.70 0.74 0.92 -4.80 119.66 121.40 2wb8 s GLN 682 Ca 0.01 -0.47 -0.21 0.00 0.05 0.00 0.00 55.36 54.74 2wb8 s GLN 682 Cb -0.05 -3.09 -0.06 0.00 1.10 0.00 0.00 33.01 30.91 2wb8 s GLN 682 CO 0.00 0.12 0.61 0.08 -0.55 0.00 0.00 175.29 175.55 2wb8 s VAL 683 N 0.73 4.84 -0.08 1.34 1.01 -1.26 -1.31 120.40 125.67 2wb8 s VAL 683 Ca 0.01 1.28 0.04 0.00 0.00 0.00 0.00 61.98 63.31 2wb8 s VAL 683 Cb -0.14 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 2wb8 s VAL 683 CO 0.02 0.45 -0.22 -0.44 0.00 0.00 0.00 175.10 174.91 2wb8 s SER 684 N -0.41 2.84 -0.18 3.32 0.01 0.04 -4.45 113.70 114.87 2wb8 s SER 684 Ca 0.31 -0.50 -0.16 0.00 1.31 0.00 0.00 55.95 56.91 2wb8 s SER 684 Cb -0.19 -1.09 -0.04 0.00 0.21 0.00 0.00 66.02 64.91 2wb8 s SER 684 CO 0.18 0.17 0.42 -0.63 0.41 0.00 0.00 173.24 173.79 2wb8 s ILE 685 N 0.20 5.20 0.49 1.44 1.01 0.45 -1.00 121.20 128.98 2wb8 s ILE 685 Ca -0.12 0.77 0.02 0.00 0.00 0.00 0.00 60.65 61.32 2wb8 s ILE 685 Cb -0.16 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 2wb8 s ILE 685 CO 0.06 0.28 0.01 0.27 0.00 0.00 0.00 174.94 175.56 2wb8 s ILE 686 N 1.10 1.27 -0.17 2.92 -4.36 -0.86 -2.35 121.20 118.74 2wb8 s ILE 686 Ca 0.21 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.58 2wb8 s ILE 686 Cb -0.15 -2.32 0.01 0.00 1.25 0.00 0.00 42.46 41.25 2wb8 s ILE 686 CO 0.08 0.00 0.03 -0.67 0.24 0.00 0.00 174.94 174.62 2wb8 n ASP 687 N -1.21 -4.78 -1.73 4.36 2.03 -1.26 -4.87 116.55 109.09 2wb8 n ASP 687 Ca -0.16 0.85 -0.07 0.00 0.52 0.00 0.00 54.79 55.93 2wb8 n ASP 687 Cb 0.67 -3.58 0.25 0.00 -0.72 0.00 0.00 41.12 37.74 2wb8 n ASP 687 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2wb8 n TYR 688 N 0.53 2.11 -0.06 -0.67 4.01 -1.26 -4.64 117.16 117.18 2wb8 n TYR 688 Ca -0.05 -1.37 0.14 0.00 -0.16 0.00 0.00 57.90 56.46 2wb8 n TYR 688 Cb 0.07 -0.65 0.54 0.00 -0.31 0.00 0.00 39.34 38.99 2wb8 n TYR 688 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2wb8 h THR 689 N 1.89 0.86 -0.14 -0.72 2.02 -1.93 -2.48 112.91 112.42 2wb8 h THR 689 Ca 0.30 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.37 2wb8 h THR 689 Cb 2.20 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 2wb8 h THR 689 CO 0.68 0.06 0.00 0.18 0.37 0.00 0.00 175.52 176.80 2wb8 n LEU 690 N -4.46 2.45 -4.76 2.58 4.77 -1.26 -4.69 117.00 111.62 2wb8 n LEU 690 Ca 0.10 -1.29 -0.29 0.00 -0.03 0.00 0.00 56.01 54.50 2wb8 n LEU 690 Cb 0.42 -0.08 0.14 0.00 -2.33 0.00 0.00 43.42 41.57 2wb8 n LEU 690 CO 0.34 0.51 0.70 -0.44 -1.33 0.00 0.00 177.39 177.17 2wb8 s SER 691 N -1.11 3.35 -0.08 -1.43 0.01 -0.93 -4.28 113.70 109.22 2wb8 s SER 691 Ca 0.20 1.04 -0.07 0.00 1.31 0.00 0.00 55.95 58.43 2wb8 s SER 691 Cb 0.13 -1.65 0.02 0.00 0.21 0.00 0.00 66.02 64.73 2wb8 s SER 691 CO 0.18 -2.66 0.22 -0.60 0.41 0.00 0.00 173.24 170.79 2wb8 s ARG 692 N -5.19 0.24 0.32 12.44 3.00 -0.70 -2.59 118.95 126.48 2wb8 s ARG 692 Ca 0.64 0.33 -0.10 0.00 -1.00 0.00 0.00 55.73 55.60 2wb8 s ARG 692 Cb -0.16 0.09 0.04 0.00 0.00 0.00 0.00 34.95 34.92 2wb8 s ARG 692 CO 0.54 -0.05 0.59 1.47 0.00 0.00 0.00 175.30 177.86 2wb8 n LEU 693 N 3.14 0.00 -4.41 -0.88 -0.00 -0.19 -0.76 117.00 113.89 2wb8 n LEU 693 Ca -0.14 -2.17 -0.31 0.00 -0.00 0.00 0.00 56.01 53.39 2wb8 n LEU 693 Cb 0.58 2.92 -0.14 0.00 -0.00 0.00 0.00 43.42 46.78 2wb8 n LEU 693 CO 0.18 -0.67 -0.52 -1.83 -0.00 0.00 0.00 177.39 174.56 2wb8 s GLU 694 N -2.20 2.01 -0.10 1.47 -1.05 0.39 -0.05 118.70 119.16 2wb8 s GLU 694 Ca 0.15 -1.00 -0.07 0.00 -0.15 0.00 0.00 54.97 53.90 2wb8 s GLU 694 Cb -0.03 -2.12 -0.02 0.00 -0.44 0.00 0.00 34.13 31.51 2wb8 s GLU 694 CO 0.11 0.54 -0.13 0.54 0.95 0.00 0.00 175.26 177.27 2wb8 n ARG 695 N 1.71 0.31 0.00 -4.83 1.74 -0.85 -4.73 116.66 110.01 2wb8 n ARG 695 Ca -0.16 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 2wb8 n ARG 695 Cb 0.52 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 2wb8 n ARG 695 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2wb8 n ASP 696 N -3.86 0.00 -1.71 0.55 5.68 -1.26 -4.90 116.55 111.06 2wb8 n ASP 696 Ca -0.05 0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.26 2wb8 n ASP 696 Cb 0.19 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.23 2wb8 n ASP 696 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wb8 n GLY 697 N 2.57 2.08 3.37 6.12 0.00 -1.26 -5.06 105.19 113.02 2wb8 n GLY 697 Ca 0.00 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 2wb8 n GLY 697 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wb8 s ILE 698 N -1.59 3.76 0.06 -0.61 -1.09 -1.26 -5.08 121.20 115.38 2wb8 s ILE 698 Ca 0.34 -0.36 -0.31 0.00 -2.23 0.00 0.00 60.65 58.09 2wb8 s ILE 698 Cb 0.37 -2.73 -0.06 0.00 -1.58 0.00 0.00 42.46 38.46 2wb8 s ILE 698 CO -0.11 0.39 1.32 -0.69 -1.23 0.00 0.00 174.94 174.62 2wb8 s VAL 699 N 1.48 3.71 -0.12 2.92 1.01 -1.26 -2.00 120.40 126.14 2wb8 s VAL 699 Ca 0.06 1.19 0.03 0.00 0.00 0.00 0.00 61.98 63.25 2wb8 s VAL 699 Cb -0.15 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2wb8 s VAL 699 CO -0.00 0.06 -0.22 -0.69 0.00 0.00 0.00 175.10 174.25 2wb8 s VAL 700 N 1.50 2.20 0.07 2.92 1.01 0.92 -4.98 120.40 124.03 2wb8 s VAL 700 Ca 0.62 -0.95 -0.27 0.00 0.00 0.00 0.00 61.98 61.37 2wb8 s VAL 700 Cb -0.32 -1.87 0.09 0.00 0.00 0.00 0.00 36.38 34.28 2wb8 s VAL 700 CO 0.28 0.55 0.99 0.72 0.00 0.00 0.00 175.10 177.65 2wb8 s PHE 701 N 0.56 -0.18 -0.69 5.22 -0.71 -1.26 -1.02 117.98 119.90 2wb8 s PHE 701 Ca -0.13 -0.04 -0.22 0.00 -1.04 0.00 0.00 56.93 55.51 2wb8 s PHE 701 Cb -0.17 0.59 0.08 0.00 -1.21 0.00 0.00 43.02 42.32 2wb8 s PHE 701 CO 0.04 -0.64 0.96 0.00 -1.34 0.00 0.00 175.22 174.23 2wb8 s ASP 703 N 3.68 5.20 0.00 0.00 -1.08 -1.26 -4.79 116.67 118.42 2wb8 s ASP 703 Ca 0.22 1.14 0.13 0.00 -0.52 0.00 0.00 52.55 53.53 2wb8 s ASP 703 Cb -0.16 -2.52 0.36 0.00 -1.46 0.00 0.00 42.92 39.14 2wb8 s ASP 703 CO 0.07 -2.28 1.29 1.33 0.52 0.00 0.00 175.17 176.10 2wb8 n VAL 704 N 7.62 0.91 0.01 1.11 0.24 -1.26 -4.69 118.33 122.28 2wb8 n VAL 704 Ca 0.28 -0.96 0.01 0.00 -2.04 0.00 0.00 64.34 61.63 2wb8 n VAL 704 Cb 0.50 0.57 0.03 0.00 -1.47 0.00 0.00 33.84 33.47 2wb8 n VAL 704 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2wb8 n SER 705 N 0.77 0.03 0.00 -1.34 3.41 -1.26 -0.58 113.62 114.64 2wb8 n SER 705 Ca 0.14 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 2wb8 n SER 705 Cb 0.46 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2wb8 n SER 705 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2wb8 n MET 706 N -1.33 1.17 -2.96 4.33 2.81 -1.26 -5.05 117.12 114.82 2wb8 n MET 706 Ca -0.00 -0.88 -0.32 0.00 -1.81 0.00 0.00 57.70 54.69 2wb8 n MET 706 Cb 0.25 -0.77 -0.05 0.00 -0.71 0.00 0.00 33.22 31.94 2wb8 n MET 706 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2wb8 s ASP 707 N -0.43 6.73 0.00 7.83 -1.08 0.25 -5.01 116.67 124.97 2wb8 s ASP 707 Ca 0.00 1.33 0.00 0.00 -0.52 0.00 0.00 52.55 53.36 2wb8 s ASP 707 Cb 0.00 -2.40 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 2wb8 s ASP 707 CO 0.00 -0.31 0.00 -1.84 0.52 0.00 0.00 175.17 173.54 2wb8 n GLU 708 N -0.72 1.38 0.30 4.34 0.28 -1.26 -4.82 120.64 120.13 2wb8 n GLU 708 Ca 0.04 0.00 0.16 0.00 -0.16 0.00 0.00 57.16 57.20 2wb8 n GLU 708 Cb 0.54 -0.80 0.93 0.00 1.43 0.00 0.00 31.44 33.53 2wb8 n GLU 708 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2wb8 h ASP 709 N 0.00 0.00 0.61 -1.84 5.19 -1.96 -1.82 116.42 116.61 2wb8 h ASP 709 Ca 0.00 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.27 2wb8 h ASP 709 Cb 0.60 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.10 2wb8 h ASP 709 CO 0.00 0.03 -0.66 0.25 -3.12 0.00 0.00 179.24 175.74 2wb8 h LEU 710 N 0.00 0.05 -2.77 1.55 5.85 -1.99 -3.22 115.31 114.77 2wb8 h LEU 710 Ca -0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2wb8 h LEU 710 Cb 0.11 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2wb8 h LEU 710 CO 0.00 0.69 0.00 0.49 -0.34 0.00 0.00 178.44 179.29 2wb8 n PHE 711 N -3.77 0.95 -2.19 1.25 3.72 -0.69 -4.33 117.46 112.41 2wb8 n PHE 711 Ca -0.01 -0.50 -0.02 0.00 -0.05 0.00 0.00 57.45 56.86 2wb8 n PHE 711 Cb 0.65 -0.01 0.08 0.00 -0.94 0.00 0.00 39.48 39.27 2wb8 n PHE 711 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2wb8 n THR 712 N 1.55 1.48 -2.19 4.37 -2.24 -1.18 -4.74 114.28 111.33 2wb8 n THR 712 Ca 0.24 -2.77 -0.28 0.00 -2.27 0.00 0.00 64.05 58.96 2wb8 n THR 712 Cb 0.61 0.21 0.04 0.00 -2.10 0.00 0.00 70.33 69.10 2wb8 n THR 712 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wb8 s GLY 713 N -3.09 1.62 0.30 3.38 0.00 -1.26 -5.04 107.32 103.23 2wb8 s GLY 713 Ca 0.38 -0.57 -0.07 0.00 0.00 0.00 0.00 44.72 44.45 2wb8 s GLY 713 CO -0.07 -0.25 0.47 0.51 0.00 0.00 0.00 173.10 173.77 2wb8 s ASP 714 N -4.34 0.41 0.00 1.64 1.47 -1.26 -4.79 116.67 109.80 2wb8 s ASP 714 Ca 0.56 -1.24 0.00 0.00 1.18 0.00 0.00 52.55 53.05 2wb8 s ASP 714 Cb -0.11 0.63 0.00 0.00 -0.34 0.00 0.00 42.92 43.10 2wb8 s ASP 714 CO 0.48 -1.24 0.00 0.61 0.68 0.00 0.00 175.17 175.70 2wb8 n GLY 715 N -0.47 0.46 3.62 2.12 0.00 -1.26 -4.95 105.19 104.71 2wb8 n GLY 715 Ca -0.01 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 2wb8 n GLY 715 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wb8 s ASP 716 N -2.45 -0.43 0.64 1.61 -1.08 -1.26 -5.01 116.67 108.69 2wb8 s ASP 716 Ca 0.00 0.73 0.38 0.00 -0.52 0.00 0.00 52.55 53.15 2wb8 s ASP 716 Cb 0.00 0.71 2.17 0.00 -1.46 0.00 0.00 42.92 44.34 2wb8 s ASP 716 CO 0.00 -0.22 2.31 0.22 0.52 0.00 0.00 175.17 178.00 2wb8 h TYR 717 N 3.70 0.00 -0.87 -5.34 3.20 -1.99 -2.57 116.97 113.10 2wb8 h TYR 717 Ca -0.25 0.00 0.13 0.00 3.14 0.00 0.00 58.73 61.75 2wb8 h TYR 717 Cb 1.17 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.37 2wb8 h TYR 717 CO 0.31 0.00 0.56 0.37 -1.64 0.00 0.00 178.16 177.77 2wb8 h GLN 718 N 0.00 0.68 0.00 1.82 4.15 -1.95 -1.78 115.11 118.03 2wb8 h GLN 718 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 2wb8 h GLN 718 Cb 0.04 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.58 2wb8 h GLN 718 CO -0.00 0.45 -0.05 0.74 -1.93 0.00 0.00 178.83 178.04 2wb8 h PHE 719 N 0.70 0.00 0.00 3.99 0.04 -1.78 -2.93 116.94 116.96 2wb8 h PHE 719 Ca 0.43 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 61.06 2wb8 h PHE 719 Cb 0.67 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.79 2wb8 h PHE 719 CO -0.00 0.00 -0.69 -0.44 -0.60 0.00 0.00 178.31 176.58 2wb8 h ASP 720 N 0.00 0.00 -0.45 2.17 3.32 -1.47 -3.29 116.42 116.71 2wb8 h ASP 720 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 2wb8 h ASP 720 Cb 0.86 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 2wb8 h ASP 720 CO 0.00 0.69 0.07 0.40 -1.72 0.00 0.00 179.24 178.68 2wb8 h ILE 721 N 0.00 1.25 -0.30 0.35 1.08 -1.44 0.16 117.51 118.60 2wb8 h ILE 721 Ca -0.01 -0.91 0.05 0.00 -0.39 0.00 0.00 64.86 63.60 2wb8 h ILE 721 Cb 1.24 0.96 -0.05 0.00 -3.07 0.00 0.00 36.82 35.91 2wb8 h ILE 721 CO 0.09 0.32 -0.01 1.88 -0.69 0.00 0.00 178.15 179.74 2wb8 h TYR 722 N 0.61 -0.03 -0.54 1.37 0.05 -1.65 0.63 116.97 117.41 2wb8 h TYR 722 Ca 0.14 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.95 2wb8 h TYR 722 Cb 0.39 0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.16 2wb8 h TYR 722 CO 0.03 -0.06 0.36 0.00 -1.05 0.00 0.00 178.16 177.44 2wb8 h ARG 723 N 0.08 0.71 -0.63 4.88 3.08 -1.55 -1.84 114.38 119.10 2wb8 h ARG 723 Ca 0.14 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 2wb8 h ARG 723 Cb 0.19 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2wb8 h ARG 723 CO -0.25 0.47 0.19 -0.07 -1.07 0.00 0.00 179.97 179.24 2wb8 h LEU 724 N 0.73 0.90 -0.33 3.04 3.38 -0.11 -1.37 115.31 121.55 2wb8 h LEU 724 Ca 0.20 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2wb8 h LEU 724 Cb -0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2wb8 h LEU 724 CO -0.05 0.85 0.12 0.24 0.09 0.00 0.00 178.44 179.69 2wb8 h MET 725 N 0.93 0.51 -0.22 1.13 2.86 -0.64 -0.02 114.93 119.49 2wb8 h MET 725 Ca 0.21 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2wb8 h MET 725 Cb 0.28 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2wb8 h MET 725 CO -0.01 0.52 0.08 -0.22 1.06 0.00 0.00 176.91 178.35 2wb8 h LYS 726 N 0.39 0.34 -0.26 1.72 3.64 -1.21 0.35 116.57 121.54 2wb8 h LYS 726 Ca 0.11 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2wb8 h LYS 726 Cb 0.21 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 2wb8 h LYS 726 CO -0.01 0.40 0.14 -0.22 -2.27 0.00 0.00 179.45 177.50 2wb8 h LYS 727 N 0.20 0.29 0.00 1.90 3.64 -1.22 0.16 116.57 121.53 2wb8 h LYS 727 Ca 0.07 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 2wb8 h LYS 727 Cb 0.20 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2wb8 h LYS 727 CO -0.00 0.19 -0.21 1.49 -2.27 0.00 0.00 179.45 178.65 2wb8 h GLU 728 N 0.30 0.00 -0.27 1.90 4.57 -0.65 -3.00 114.58 117.43 2wb8 h GLU 728 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2wb8 h GLU 728 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2wb8 h GLU 728 CO -0.05 0.21 0.00 0.27 -1.18 0.00 0.00 179.01 178.26 2wb8 n ASN 729 N -3.69 2.86 -2.63 1.04 0.23 0.08 -5.00 115.26 108.16 2wb8 n ASN 729 Ca -0.01 -2.13 -0.19 0.00 -0.53 0.00 0.00 54.58 51.72 2wb8 n ASN 729 Cb 0.33 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 2wb8 n ASN 729 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2wb8 n ASN 730 N 0.20 -5.07 -0.89 0.53 3.02 0.49 -0.64 115.26 112.90 2wb8 n ASN 730 Ca 0.11 -0.03 -0.12 0.00 -0.03 0.00 0.00 54.58 54.51 2wb8 n ASN 730 Cb 0.45 -4.21 -0.05 0.00 -0.61 0.00 0.00 39.78 35.36 2wb8 n ASN 730 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wb8 n ASN 731 N -2.07 -5.24 -4.43 6.41 5.15 -0.80 -4.96 115.26 109.33 2wb8 n ASN 731 Ca -0.17 0.29 -0.44 0.00 -0.60 0.00 0.00 54.58 53.66 2wb8 n ASN 731 Cb 0.64 -3.76 -0.06 0.00 -0.53 0.00 0.00 39.78 36.06 2wb8 n ASN 731 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2wb8 s ARG 732 N -2.87 3.08 0.00 1.20 0.52 0.19 -4.49 118.95 116.58 2wb8 s ARG 732 Ca 0.00 -1.04 0.25 0.00 -0.52 0.00 0.00 55.73 54.42 2wb8 s ARG 732 Cb 0.00 -4.12 0.54 0.00 0.52 0.00 0.00 34.95 31.89 2wb8 s ARG 732 CO 0.00 -1.20 1.43 0.91 0.02 0.00 0.00 175.30 176.47 2wb8 n TRP 733 N 5.93 0.00 0.75 -0.53 7.02 -1.26 -3.67 117.44 125.68 2wb8 n TRP 733 Ca -0.08 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.53 2wb8 n TRP 733 Cb 0.45 -0.12 0.37 0.00 -2.42 0.00 0.00 31.31 29.59 2wb8 n TRP 733 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2wb8 n GLY 734 N 1.39 -1.51 3.77 6.99 0.00 -1.26 -4.87 105.19 109.69 2wb8 n GLY 734 Ca 0.10 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 2wb8 n GLY 734 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wb8 s GLU 735 N -3.08 3.04 -0.36 1.61 2.02 -1.24 -5.00 118.70 115.70 2wb8 s GLU 735 Ca 0.10 1.59 -0.19 0.00 0.02 0.00 0.00 54.97 56.49 2wb8 s GLU 735 Cb 0.15 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.42 2wb8 s GLU 735 CO 0.63 -1.10 0.57 -0.47 0.02 0.00 0.00 175.26 174.91 2wb8 s TYR 736 N -1.92 3.16 -0.43 1.61 5.04 -1.26 -5.00 117.35 118.55 2wb8 s TYR 736 Ca 0.72 0.24 0.03 0.00 -2.44 0.00 0.00 57.07 55.61 2wb8 s TYR 736 Cb -0.24 -3.03 0.15 0.00 0.35 0.00 0.00 41.96 39.19 2wb8 s TYR 736 CO 0.34 -0.59 0.30 -1.01 -1.34 0.00 0.00 175.55 173.24 2wb8 s HIS 737 N 2.54 1.38 0.24 4.97 3.76 -1.26 -4.97 115.29 121.94 2wb8 s HIS 737 Ca 0.21 -2.23 0.36 0.00 -0.15 0.00 0.00 55.06 53.26 2wb8 s HIS 737 Cb -0.15 -1.27 1.64 0.00 1.11 0.00 0.00 32.58 33.92 2wb8 s HIS 737 CO 0.14 -0.79 2.08 -1.35 -0.85 0.00 0.00 174.74 173.97 2wb8 h PRO 738 N 6.24 0.00 -0.52 8.40 0.11 -1.90 -0.30 132.00 144.04 2wb8 h PRO 738 Ca 0.14 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.40 2wb8 h PRO 738 Cb 0.92 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 2wb8 h PRO 738 CO 0.39 0.00 0.45 -0.92 -0.21 0.00 0.00 178.00 177.71 2wb8 h TYR 739 N 0.00 0.00 -0.45 0.65 3.20 -1.87 -0.24 116.97 118.26 2wb8 h TYR 739 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2wb8 h TYR 739 Cb 0.37 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 2wb8 h TYR 739 CO 0.00 0.00 0.28 0.66 -1.64 0.00 0.00 178.16 177.46 2wb8 h SER 740 N 0.00 0.53 0.07 -2.11 4.64 -1.37 0.53 113.55 115.83 2wb8 h SER 740 Ca 0.25 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.50 2wb8 h SER 740 Cb 1.13 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 2wb8 h SER 740 CO -0.00 0.40 -0.15 0.78 -0.87 0.00 0.00 176.83 176.98 2wb8 h ASN 741 N 0.61 0.16 -0.11 4.97 2.35 -1.24 -2.44 115.58 119.89 2wb8 h ASN 741 Ca 0.16 -0.03 -0.22 0.00 -0.55 0.00 0.00 56.30 55.66 2wb8 h ASN 741 Cb -0.04 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.30 2wb8 h ASN 741 CO -0.03 0.33 -0.79 0.58 -1.65 0.00 0.00 177.43 175.87 2wb8 h VAL 742 N 0.16 1.30 -0.67 2.81 2.07 -0.97 -1.31 116.25 119.64 2wb8 h VAL 742 Ca 0.03 -2.01 0.05 0.00 0.82 0.00 0.00 66.70 65.59 2wb8 h VAL 742 Cb 0.37 2.13 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 2wb8 h VAL 742 CO 0.02 0.63 0.40 -0.07 0.02 0.00 0.00 177.57 178.57 2wb8 h LEU 743 N 0.41 0.62 -0.51 2.57 3.38 -0.93 0.43 115.31 121.29 2wb8 h LEU 743 Ca -0.07 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 2wb8 h LEU 743 Cb 1.43 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 2wb8 h LEU 743 CO 0.16 0.42 -0.18 -0.50 0.09 0.00 0.00 178.44 178.42 2wb8 h TRP 744 N 0.75 1.16 -0.53 1.13 4.06 -1.39 0.87 115.95 122.01 2wb8 h TRP 744 Ca 0.29 -0.27 -0.03 0.00 2.06 0.00 0.00 58.89 60.94 2wb8 h TRP 744 Cb 0.11 -0.27 -0.03 0.00 -1.00 0.00 0.00 29.16 27.97 2wb8 h TRP 744 CO -0.06 1.10 0.21 -0.07 -3.56 0.00 0.00 178.44 176.06 2wb8 h LEU 745 N 0.88 0.69 -0.16 -4.49 3.38 -0.77 0.27 115.31 115.11 2wb8 h LEU 745 Ca 0.12 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2wb8 h LEU 745 Cb 0.76 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2wb8 h LEU 745 CO 0.06 0.63 -0.06 -0.74 0.09 0.00 0.00 178.44 178.42 2wb8 h HIS 746 N 0.75 0.36 -0.76 1.13 2.76 0.18 0.15 115.15 119.72 2wb8 h HIS 746 Ca 0.18 -0.08 0.13 0.00 -2.20 0.00 0.00 60.37 58.39 2wb8 h HIS 746 Cb 0.16 -0.09 -0.09 0.00 1.55 0.00 0.00 27.41 28.94 2wb8 h HIS 746 CO 0.01 0.61 0.35 -0.92 -1.30 0.00 0.00 177.93 176.68 2wb8 h TYR 747 N 0.00 0.61 -0.21 5.26 3.20 -0.60 -0.82 116.97 124.41 2wb8 h TYR 747 Ca 0.04 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.85 2wb8 h TYR 747 Cb 0.51 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 2wb8 h TYR 747 CO 0.06 0.14 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.37 2wb8 h LEU 748 N 0.53 0.41 -0.35 2.82 3.38 -0.15 -2.39 115.31 119.56 2wb8 h LEU 748 Ca 0.40 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 58.08 2wb8 h LEU 748 Cb 0.55 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2wb8 h LEU 748 CO -0.35 0.68 -0.37 0.74 0.09 0.00 0.00 178.44 179.23 2wb8 h THR 749 N 0.36 1.28 -0.21 0.22 2.02 -0.42 -2.11 112.91 114.05 2wb8 h THR 749 Ca 0.05 -1.54 0.05 0.00 0.77 0.00 0.00 66.41 65.73 2wb8 h THR 749 Cb 0.68 1.45 -0.05 0.00 -1.74 0.00 0.00 68.15 68.49 2wb8 h THR 749 CO 0.05 0.51 -0.08 -0.78 0.37 0.00 0.00 175.52 175.59 2wb8 h ASP 750 N 0.68 -0.28 -0.21 4.18 3.58 -1.00 -1.85 116.42 121.52 2wb8 h ASP 750 Ca 0.05 0.07 0.06 0.00 0.42 0.00 0.00 57.03 57.63 2wb8 h ASP 750 Cb 0.96 0.17 -0.07 0.00 1.72 0.00 0.00 39.33 42.11 2wb8 h ASP 750 CO 0.09 -0.11 -0.31 0.11 -2.88 0.00 0.00 179.24 176.15 2wb8 h LYS 751 N -0.05 -0.33 -0.81 0.28 1.79 -1.26 0.26 116.57 116.45 2wb8 h LYS 751 Ca 0.11 0.02 0.17 0.00 -2.18 0.00 0.00 60.65 58.78 2wb8 h LYS 751 Cb 0.21 0.07 -0.11 0.00 -1.58 0.00 0.00 32.23 30.83 2wb8 h LYS 751 CO -0.24 -0.22 0.32 0.52 -1.08 0.00 0.00 179.45 178.75 2wb8 h MET 752 N -0.34 0.39 0.06 3.15 2.86 -1.10 0.27 114.93 120.23 2wb8 h MET 752 Ca 0.12 -0.02 -0.24 0.00 -2.06 0.00 0.00 59.70 57.49 2wb8 h MET 752 Cb 0.53 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 2wb8 h MET 752 CO -0.40 0.26 -1.07 -0.07 1.06 0.00 0.00 176.91 176.69 2wb8 h LEU 753 N 0.41 0.37 0.00 1.22 3.38 -0.57 -3.33 115.31 116.78 2wb8 h LEU 753 Ca 0.47 -0.35 -0.19 0.00 0.09 0.00 0.00 57.88 57.90 2wb8 h LEU 753 Cb 0.81 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2wb8 h LEU 753 CO -0.47 1.21 -2.00 0.29 0.09 0.00 0.00 178.44 177.56 2wb8 n LYS 754 N -3.59 1.09 0.00 1.13 5.02 0.86 -4.71 118.16 117.95 2wb8 n LYS 754 Ca -0.06 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 2wb8 n LYS 754 Cb 0.93 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 2wb8 n LYS 754 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2wb8 n GLN 755 N -2.43 -0.24 -3.38 1.97 6.02 0.91 -4.99 117.38 115.24 2wb8 n GLN 755 Ca -0.18 -0.47 -0.37 0.00 -0.01 0.00 0.00 57.00 55.96 2wb8 n GLN 755 Cb 0.83 -0.83 -0.06 0.00 1.02 0.00 0.00 30.24 31.19 2wb8 n GLN 755 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2wb8 s MET 756 N -0.11 4.30 -0.33 -1.09 -1.94 -1.10 -4.90 119.30 114.13 2wb8 s MET 756 Ca 0.00 0.33 -0.03 0.00 -1.71 0.00 0.00 55.69 54.28 2wb8 s MET 756 Cb 0.00 -3.44 0.06 0.00 2.01 0.00 0.00 34.83 33.46 2wb8 s MET 756 CO 0.00 0.16 0.06 -0.08 -0.01 0.00 0.00 175.02 175.15 2wb8 s THR 757 N 0.64 3.19 0.25 2.05 -1.32 -0.78 -4.97 115.64 114.72 2wb8 s THR 757 Ca 0.23 -1.48 -0.14 0.00 -1.21 0.00 0.00 61.69 59.09 2wb8 s THR 757 Cb -0.14 -2.91 -0.08 0.00 -1.51 0.00 0.00 72.50 67.86 2wb8 s THR 757 CO 0.08 -0.24 0.65 -0.36 -2.21 0.00 0.00 174.62 172.54 2wb8 s PHE 758 N 1.26 3.46 0.27 9.09 0.08 -1.26 -4.14 117.98 126.74 2wb8 s PHE 758 Ca -0.02 1.11 0.11 0.00 0.12 0.00 0.00 56.93 58.25 2wb8 s PHE 758 Cb -0.20 -2.44 0.35 0.00 -0.57 0.00 0.00 43.02 40.16 2wb8 s PHE 758 CO -0.01 0.23 1.61 0.87 -0.10 0.00 0.00 175.22 177.82 2wb8 h LYS 759 N 2.69 0.00 -5.33 0.44 1.57 -1.41 -3.49 116.57 111.05 2wb8 h LYS 759 Ca -0.48 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.69 2wb8 h LYS 759 Cb 1.18 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.34 2wb8 h LYS 759 CO 0.67 0.62 -0.55 0.99 -0.57 0.00 0.00 179.45 180.60 2wb8 s THR 760 N -3.60 4.88 -0.18 -0.16 2.01 0.93 -5.06 115.64 114.46 2wb8 s THR 760 Ca -0.01 -0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.84 2wb8 s THR 760 Cb 0.13 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 2wb8 s THR 760 CO 0.76 0.47 0.34 0.00 -0.69 0.00 0.00 174.62 175.51 2wb8 n ASN 763 N 4.05 0.00 -4.53 0.00 2.85 -1.26 -5.11 115.26 111.25 2wb8 n ASN 763 Ca -0.10 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.08 2wb8 n ASN 763 Cb 0.51 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.43 2wb8 n ASN 763 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2wb8 s THR 764 N -0.06 3.05 0.43 -0.44 -4.23 -1.26 -4.98 115.64 108.14 2wb8 s THR 764 Ca 0.00 -1.52 0.34 0.00 -1.18 0.00 0.00 61.69 59.33 2wb8 s THR 764 Cb 0.00 -2.44 0.52 0.00 1.34 0.00 0.00 72.50 71.91 2wb8 s THR 764 CO 0.00 0.03 1.43 -2.65 -0.54 0.00 0.00 174.62 172.89 2wb8 n PRO 765 N 0.51 -0.02 -0.24 3.99 -0.02 -1.26 -0.02 135.00 137.94 2wb8 n PRO 765 Ca -0.13 1.11 -0.06 0.00 -2.02 0.00 0.00 63.50 62.40 2wb8 n PRO 765 Cb 0.54 -2.28 0.05 0.00 -0.02 0.00 0.00 33.50 31.78 2wb8 n PRO 765 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wb8 h ALA 766 N 1.32 0.85 0.10 3.55 0.00 -2.00 -2.02 119.26 121.05 2wb8 h ALA 766 Ca 0.82 -0.08 -0.32 0.00 0.00 0.00 0.00 54.91 55.33 2wb8 h ALA 766 Cb 2.83 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 20.34 2wb8 h ALA 766 CO -0.32 0.32 -1.69 0.52 0.00 0.00 0.00 179.25 178.08 2wb8 h MET 767 N 0.90 0.20 -0.76 0.00 2.86 -0.83 -2.79 114.93 114.50 2wb8 h MET 767 Ca 0.24 -0.35 0.12 0.00 -2.06 0.00 0.00 59.70 57.65 2wb8 h MET 767 Cb -0.02 0.13 -0.13 0.00 0.06 0.00 0.00 31.60 31.63 2wb8 h MET 767 CO -0.04 1.01 -0.38 0.87 1.06 0.00 0.00 176.91 179.43 2wb8 h LYS 768 N 0.06 -0.10 -0.38 1.72 6.56 -1.31 0.48 116.57 123.59 2wb8 h LYS 768 Ca -0.30 0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.33 2wb8 h LYS 768 Cb 2.02 0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 33.67 2wb8 h LYS 768 CO 0.12 -0.06 0.19 0.37 -2.06 0.00 0.00 179.45 178.01 2wb8 h GLN 769 N -0.10 0.38 -0.19 3.15 4.15 -1.30 0.14 115.11 121.34 2wb8 h GLN 769 Ca 0.27 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.67 2wb8 h GLN 769 Cb 0.57 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 2wb8 h GLN 769 CO -0.81 0.25 0.12 0.82 -1.93 0.00 0.00 178.83 177.27 2wb8 h ILE 770 N 0.39 1.08 -0.52 2.39 1.08 -1.13 0.58 117.51 121.38 2wb8 h ILE 770 Ca 0.16 -0.20 0.07 0.00 -0.39 0.00 0.00 64.86 64.50 2wb8 h ILE 770 Cb 0.07 0.87 -0.09 0.00 -3.07 0.00 0.00 36.82 34.60 2wb8 h ILE 770 CO -0.12 0.08 -0.51 0.50 -0.69 0.00 0.00 178.15 177.41 2wb8 h LYS 771 N 0.23 -0.29 -1.01 2.37 1.63 0.30 0.19 116.57 119.99 2wb8 h LYS 771 Ca 0.07 0.02 0.24 0.00 -0.85 0.00 0.00 60.65 60.13 2wb8 h LYS 771 Cb 0.03 0.07 -0.11 0.00 -0.60 0.00 0.00 32.23 31.61 2wb8 h LYS 771 CO -0.01 -0.19 0.62 0.00 -3.45 0.00 0.00 179.45 176.41 2wb8 h ARG 772 N -0.30 0.55 -0.13 1.90 3.08 0.36 -1.18 114.38 118.65 2wb8 h ARG 772 Ca 0.12 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.98 2wb8 h ARG 772 Cb 0.57 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2wb8 h ARG 772 CO -0.66 0.36 -0.59 0.87 -1.07 0.00 0.00 179.97 178.88 2wb8 h LYS 773 N 0.57 0.44 -0.20 0.04 1.57 0.85 -0.41 116.57 119.44 2wb8 h LYS 773 Ca 0.61 -0.30 -0.19 0.00 -1.87 0.00 0.00 60.65 58.90 2wb8 h LYS 773 Cb 1.22 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2wb8 h LYS 773 CO -0.39 0.91 -0.64 0.82 -0.57 0.00 0.00 179.45 179.58 2wb8 h ILE 774 N 0.33 1.30 -0.13 1.86 2.04 -0.21 0.28 117.51 122.98 2wb8 h ILE 774 Ca -0.00 -1.87 -0.00 0.00 1.00 0.00 0.00 64.86 63.98 2wb8 h ILE 774 Cb 1.13 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 2wb8 h ILE 774 CO 0.10 0.59 0.08 -0.61 0.00 0.00 0.00 178.15 178.31 2wb8 h GLN 775 N 0.53 0.18 -0.97 2.37 5.75 -1.24 0.77 115.11 122.50 2wb8 h GLN 775 Ca -0.01 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.47 2wb8 h GLN 775 Cb 1.24 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.71 2wb8 h GLN 775 CO 0.13 0.18 0.63 1.49 -2.65 0.00 0.00 178.83 178.61 2wb8 h GLU 776 N 0.13 1.29 -0.36 1.69 4.22 -1.01 -1.98 114.58 118.56 2wb8 h GLU 776 Ca 0.05 -0.09 0.04 0.00 0.08 0.00 0.00 59.36 59.44 2wb8 h GLU 776 Cb 0.05 -0.29 -0.04 0.00 0.50 0.00 0.00 28.75 28.97 2wb8 h GLU 776 CO -0.01 0.86 0.13 0.35 -2.18 0.00 0.00 179.01 178.16 2wb8 h PHE 777 N 1.32 0.23 -0.98 0.92 3.57 0.16 -1.68 116.94 120.48 2wb8 h PHE 777 Ca 0.35 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.90 2wb8 h PHE 777 Cb -0.13 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.50 2wb8 h PHE 777 CO 0.00 0.10 0.64 1.25 -2.23 0.00 0.00 178.31 178.07 2wb8 h HIS 778 N 0.28 1.21 0.00 0.41 2.76 0.89 0.69 115.15 121.39 2wb8 h HIS 778 Ca 0.16 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 2wb8 h HIS 778 Cb 0.14 -0.40 0.00 0.00 1.55 0.00 0.00 27.41 28.69 2wb8 h HIS 778 CO -0.14 0.71 -0.13 0.00 -1.30 0.00 0.00 177.93 177.06 2wb8 h ARG 779 N 1.25 0.00 0.00 5.26 3.08 -0.92 -3.38 114.38 119.68 2wb8 h ARG 779 Ca 0.39 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.43 2wb8 h ARG 779 Cb -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 2wb8 h ARG 779 CO -0.11 0.00 -1.08 0.25 -1.07 0.00 0.00 179.97 177.95 2wb8 n THR 780 N -2.28 0.03 0.29 2.04 -2.24 -0.67 -4.74 114.28 106.70 2wb8 n THR 780 Ca 0.05 -0.05 0.15 0.00 -2.27 0.00 0.00 64.05 61.93 2wb8 n THR 780 Cb 0.44 0.06 0.89 0.00 -2.10 0.00 0.00 70.33 69.62 2wb8 n THR 780 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wb8 h MET 781 N 0.00 0.00 0.00 -0.78 -0.00 -1.05 -1.33 114.93 111.77 2wb8 h MET 781 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2wb8 h MET 781 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.96 2wb8 h MET 781 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.91 178.19 2wb8 n LEU 782 N -3.89 0.00 -1.88 -0.10 4.77 -1.26 -2.59 117.00 112.05 2wb8 n LEU 782 Ca -0.03 0.46 -0.18 0.00 -0.03 0.00 0.00 56.01 56.24 2wb8 n LEU 782 Cb 0.10 -0.46 0.12 0.00 -2.33 0.00 0.00 43.42 40.85 2wb8 n LEU 782 CO 0.28 -0.15 1.08 0.59 -1.33 0.00 0.00 177.39 177.85 2wb8 n ASN 783 N -1.46 3.88 -4.20 -1.43 3.02 -0.50 -4.89 115.26 109.68 2wb8 n ASN 783 Ca 0.05 -3.15 -0.15 0.00 -0.03 0.00 0.00 54.58 51.31 2wb8 n ASN 783 Cb 0.22 -0.77 -0.11 0.00 -0.61 0.00 0.00 39.78 38.51 2wb8 n ASN 783 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2wb8 s PHE 784 N -2.34 1.13 -1.20 3.10 0.08 -1.07 -5.09 117.98 112.60 2wb8 s PHE 784 Ca 0.40 -0.66 0.23 0.00 0.12 0.00 0.00 56.93 57.02 2wb8 s PHE 784 Cb 0.34 -0.61 0.19 0.00 -0.57 0.00 0.00 43.02 42.37 2wb8 s PHE 784 CO 0.07 0.03 1.20 -1.13 -0.10 0.00 0.00 175.22 175.28 2wb8 n SER 785 N 0.43 0.92 -3.59 1.36 3.41 -1.26 -4.94 113.62 109.95 2wb8 n SER 785 Ca -0.15 -0.75 -0.04 0.00 -0.26 0.00 0.00 58.87 57.67 2wb8 n SER 785 Cb 0.58 0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 65.07 2wb8 n SER 785 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2wb8 s SER 786 N -2.89 -0.15 0.45 4.04 1.04 -1.26 -2.67 113.70 112.26 2wb8 s SER 786 Ca 0.12 -0.03 0.11 0.00 0.48 0.00 0.00 55.95 56.64 2wb8 s SER 786 Cb 0.17 0.18 1.02 0.00 0.10 0.00 0.00 66.02 67.49 2wb8 s SER 786 CO 0.73 -0.30 2.07 0.00 0.98 0.00 0.00 173.24 176.72 2wb8 h ALA 787 N 2.00 1.87 -0.59 5.32 0.00 -1.89 -0.33 119.26 125.64 2wb8 h ALA 787 Ca -0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2wb8 h ALA 787 Cb 1.18 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2wb8 h ALA 787 CO 0.24 0.09 0.20 1.15 0.00 0.00 0.00 179.25 180.94 2wb8 h THR 788 N 0.36 1.24 -0.46 0.00 2.02 -1.85 0.23 112.91 114.45 2wb8 h THR 788 Ca 0.13 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 2wb8 h THR 788 Cb 0.09 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 2wb8 h THR 788 CO -0.03 0.30 0.21 -0.78 0.37 0.00 0.00 175.52 175.59 2wb8 h ASP 789 N 0.83 0.61 0.08 4.18 3.58 -1.74 -2.82 116.42 121.14 2wb8 h ASP 789 Ca 0.19 -0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 2wb8 h ASP 789 Cb 0.26 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2wb8 h ASP 789 CO -0.01 0.58 -0.04 -0.07 -2.88 0.00 0.00 179.24 176.83 2wb8 h LEU 790 N 0.60 -0.09 -0.48 2.28 3.38 -0.61 -1.09 115.31 119.30 2wb8 h LEU 790 Ca 0.16 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 57.99 2wb8 h LEU 790 Cb 0.14 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 2wb8 h LEU 790 CO -0.02 0.19 -0.04 0.25 0.09 0.00 0.00 178.44 178.91 2wb8 h LEU 791 N -0.38 -0.28 0.00 1.67 5.85 -0.60 0.30 115.31 121.88 2wb8 h LEU 791 Ca -0.01 0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2wb8 h LEU 791 Cb 0.32 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2wb8 h LEU 791 CO 0.02 -0.10 -0.52 0.00 -0.34 0.00 0.00 178.44 177.50 2wb8 n GLN 793 N -3.10 1.39 -2.49 0.00 1.13 -0.42 -5.04 117.38 108.84 2wb8 n GLN 793 Ca 0.01 -0.01 -0.41 0.00 -1.94 0.00 0.00 57.00 54.66 2wb8 n GLN 793 Cb 0.68 -1.03 -0.04 0.00 0.11 0.00 0.00 30.24 29.96 2wb8 n GLN 793 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2wb8 s HIS 794 N -2.06 3.59 0.14 1.08 2.46 0.08 -4.89 115.29 115.69 2wb8 s HIS 794 Ca -0.00 1.66 0.34 0.00 0.47 0.00 0.00 55.06 57.52 2wb8 s HIS 794 Cb 0.01 -3.28 1.59 0.00 -0.13 0.00 0.00 32.58 30.77 2wb8 s HIS 794 CO 0.05 -0.57 2.02 0.66 -2.47 0.00 0.00 174.74 174.43 2wb8 h SER 795 N 4.38 0.00 0.04 9.88 4.64 -1.95 -1.83 113.55 128.71 2wb8 h SER 795 Ca -0.46 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.83 2wb8 h SER 795 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2wb8 h SER 795 CO 0.69 0.00 -0.10 0.25 -0.87 0.00 0.00 176.83 176.80 2wb8 h LEU 796 N 0.00 0.14 -3.13 5.97 5.85 -1.92 -2.86 115.31 119.36 2wb8 h LEU 796 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2wb8 h LEU 796 Cb 0.30 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2wb8 h LEU 796 CO 0.00 0.27 0.00 0.49 -0.34 0.00 0.00 178.44 178.86 2wb8 n PHE 797 N -4.33 1.34 0.96 1.25 3.72 -0.69 -5.09 117.46 114.62 2wb8 n PHE 797 Ca -0.01 -0.63 0.12 0.00 -0.05 0.00 0.00 57.45 56.88 2wb8 n PHE 797 Cb 0.22 -0.23 0.10 0.00 -0.94 0.00 0.00 39.48 38.63 2wb8 n PHE 797 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34