#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ply n THR 437 N 0.00 0.00 0.20 0.44 -1.04 -1.26 -3.49 114.28 109.13 2ply n THR 437 Ca 0.00 1.46 -0.17 0.00 -2.04 0.00 0.00 64.05 63.30 2ply n THR 437 Cb 0.00 -2.41 -0.10 0.00 -1.82 0.00 0.00 70.33 66.00 2ply n THR 437 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2ply h GLU 438 N 0.00 -0.85 -1.21 -2.82 3.07 -2.05 -1.86 114.58 108.86 2ply h GLU 438 Ca 0.00 0.06 0.35 0.00 -0.50 0.00 0.00 59.36 59.27 2ply h GLU 438 Cb 0.00 0.19 -0.09 0.00 -0.84 0.00 0.00 28.75 28.02 2ply h GLU 438 CO 0.00 -0.57 0.82 0.00 -1.40 0.00 0.00 179.01 177.86 2ply h ARG 439 N -0.88 0.17 0.01 2.33 2.47 -1.99 0.94 114.38 117.43 2ply h ARG 439 Ca -0.03 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2ply h ARG 439 Cb 0.82 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 2ply h ARG 439 CO -0.18 0.11 -0.00 -0.92 0.56 0.00 0.00 179.97 179.54 2ply h TYR 440 N 0.18 -0.01 -0.49 3.04 3.20 -1.40 -2.10 116.97 119.38 2ply h TYR 440 Ca 0.66 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.54 2ply h TYR 440 Cb 2.13 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 40.37 2ply h TYR 440 CO -0.00 0.73 0.33 1.96 -1.64 0.00 0.00 178.16 179.54 2ply h GLN 441 N -0.78 0.60 0.00 1.82 4.20 -0.39 -1.00 115.11 119.56 2ply h GLN 441 Ca -0.00 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 2ply h GLN 441 Cb 0.75 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2ply h GLN 441 CO 0.00 0.40 -0.46 0.00 -0.67 0.00 0.00 178.83 178.10 2ply h ALA 442 N 1.70 0.97 -0.05 3.87 0.00 -0.94 -3.08 119.26 121.73 2ply h ALA 442 Ca 0.19 -0.42 -0.22 0.00 0.00 0.00 0.00 54.91 54.46 2ply h ALA 442 Cb -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2ply h ALA 442 CO -0.04 0.58 -0.86 -1.49 0.00 0.00 0.00 179.25 177.43 2ply h TRP 443 N 0.00 0.73 -0.03 0.00 6.55 -0.49 -3.09 115.95 119.62 2ply h TRP 443 Ca -0.00 -0.36 -0.13 0.00 0.95 0.00 0.00 58.89 59.35 2ply h TRP 443 Cb 0.99 -0.10 -0.02 0.00 -0.86 0.00 0.00 29.16 29.17 2ply h TRP 443 CO 0.00 1.16 -0.58 2.35 -1.05 0.00 0.00 178.44 180.32 2ply h TRP 444 N 0.32 0.11 0.00 0.49 2.91 -1.27 -2.28 115.95 116.24 2ply h TRP 444 Ca -0.07 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.92 2ply h TRP 444 Cb 1.48 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 30.11 2ply h TRP 444 CO 0.07 0.65 -0.07 1.96 -1.03 0.00 0.00 178.44 180.01 2ply h GLN 445 N 0.06 0.00 -0.22 2.65 1.08 -1.60 -1.51 115.11 115.57 2ply h GLN 445 Ca -0.01 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 2ply h GLN 445 Cb 1.05 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.48 2ply h GLN 445 CO 0.08 0.00 -0.21 0.00 -0.95 0.00 0.00 178.83 177.75 2ply h ALA 446 N 2.19 0.33 0.48 3.87 0.00 -1.34 -2.84 119.26 121.94 2ply h ALA 446 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2ply h ALA 446 Cb 0.91 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2ply h ALA 446 CO 0.00 0.27 -0.40 0.28 0.00 0.00 0.00 179.25 179.40 2ply h VAL 447 N 0.23 0.20 -0.40 0.00 2.07 -1.15 -2.65 116.25 114.54 2ply h VAL 447 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 2ply h VAL 447 Cb 0.76 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2ply h VAL 447 CO 0.05 0.00 0.16 0.71 0.02 0.00 0.00 177.57 178.51 2ply h THR 448 N -0.87 0.90 -0.65 2.57 1.35 -1.37 0.84 112.91 115.69 2ply h THR 448 Ca -0.05 -0.11 0.13 0.00 -0.55 0.00 0.00 66.41 65.83 2ply h THR 448 Cb 0.75 0.55 -0.12 0.00 -1.73 0.00 0.00 68.15 67.59 2ply h THR 448 CO -0.01 0.06 -0.14 -0.09 -0.25 0.00 0.00 175.52 175.09 2ply h ARG 449 N 0.33 0.01 -0.11 4.72 2.43 -1.51 0.01 114.38 120.26 2ply h ARG 449 Ca 0.18 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.25 2ply h ARG 449 Cb 0.15 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2ply h ARG 449 CO -0.17 0.01 -0.33 0.00 -1.51 0.00 0.00 179.97 177.97 2ply h ALA 450 N 1.64 0.19 -0.23 2.80 0.00 -0.76 -2.20 119.26 120.71 2ply h ALA 450 Ca 0.32 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2ply h ALA 450 Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2ply h ALA 450 CO -0.65 0.24 -0.35 -0.07 0.00 0.00 0.00 179.25 178.42 2ply h LEU 451 N 0.00 0.51 -0.61 0.00 3.38 -0.70 -0.75 115.31 117.14 2ply h LEU 451 Ca -0.01 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 2ply h LEU 451 Cb 0.95 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2ply h LEU 451 CO 0.07 0.82 -0.37 -0.33 0.09 0.00 0.00 178.44 178.72 2ply h GLU 452 N 0.41 0.69 -0.60 1.13 5.08 -1.02 0.28 114.58 120.55 2ply h GLU 452 Ca 0.05 -0.34 0.05 0.00 -1.00 0.00 0.00 59.36 58.11 2ply h GLU 452 Cb 0.81 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 2ply h GLU 452 CO 0.07 0.95 0.33 0.93 -1.00 0.00 0.00 179.01 180.28 2ply h GLU 453 N 0.57 0.61 0.06 2.33 5.08 -1.21 -1.90 114.58 120.12 2ply h GLU 453 Ca 0.06 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 2ply h GLU 453 Cb 0.89 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.02 2ply h GLU 453 CO 0.08 0.40 -0.55 0.35 -1.00 0.00 0.00 179.01 178.30 2ply h PHE 454 N 0.63 0.44 -0.91 4.33 3.57 -0.73 -2.26 116.94 122.01 2ply h PHE 454 Ca 0.26 -0.28 0.07 0.00 3.53 0.00 0.00 57.97 61.55 2ply h PHE 454 Cb 0.13 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.78 2ply h PHE 454 CO -0.08 1.16 0.59 0.45 -2.23 0.00 0.00 178.31 178.19 2ply h HIS 455 N -0.40 1.04 0.09 0.41 3.86 -0.51 0.63 115.15 120.27 2ply h HIS 455 Ca -0.09 0.03 -0.26 0.00 -1.16 0.00 0.00 60.37 58.89 2ply h HIS 455 Cb 1.35 -0.34 0.01 0.00 1.06 0.00 0.00 27.41 29.49 2ply h HIS 455 CO 0.19 0.54 -1.15 0.66 0.86 0.00 0.00 177.93 179.03 2ply h SER 456 N 1.02 0.55 0.18 2.45 4.64 -1.28 -2.91 113.55 118.20 2ply h SER 456 Ca 0.39 -0.52 -0.10 0.00 -0.47 0.00 0.00 61.79 61.10 2ply h SER 456 Cb 0.22 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 2ply h SER 456 CO -0.15 1.36 -0.36 -0.09 -0.87 0.00 0.00 176.83 176.72 2ply h ARG 457 N 0.16 0.25 -2.19 4.77 2.43 -1.24 -3.37 114.38 115.19 2ply h ARG 457 Ca -0.13 -0.11 -0.57 0.00 -0.81 0.00 0.00 59.98 58.37 2ply h ARG 457 Cb 1.83 -0.01 -0.42 0.00 -0.42 0.00 0.00 29.97 30.96 2ply h ARG 457 CO 0.20 0.58 -0.76 0.66 -1.51 0.00 0.00 179.97 179.14 2ply n TYR 458 N -4.07 3.27 0.27 2.20 4.02 0.22 -4.87 117.16 118.20 2ply n TYR 458 Ca -0.01 -3.92 0.03 0.00 -0.01 0.00 0.00 57.90 53.99 2ply n TYR 458 Cb 0.44 -0.46 0.15 0.00 -0.02 0.00 0.00 39.34 39.46 2ply n TYR 458 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2ply n PRO 459 N -0.16 0.04 -0.45 -0.72 -0.04 -1.11 -1.00 135.00 131.56 2ply n PRO 459 Ca 0.30 0.31 0.05 0.00 -0.04 0.00 0.00 63.50 64.12 2ply n PRO 459 Cb 0.46 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.61 2ply n PRO 459 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2ply n LEU 460 N -1.40 3.18 -4.57 1.53 4.77 -1.26 -0.64 117.00 118.62 2ply n LEU 460 Ca 0.02 -3.44 -0.30 0.00 -0.03 0.00 0.00 56.01 52.27 2ply n LEU 460 Cb 0.07 -0.53 -0.10 0.00 -2.33 0.00 0.00 43.42 40.53 2ply n LEU 460 CO 0.06 1.00 -0.43 -0.13 -1.33 0.00 0.00 177.39 176.56 2ply s ARG 461 N -3.04 2.09 0.45 3.23 0.52 -0.17 -4.88 118.95 117.13 2ply s ARG 461 Ca 0.39 -1.05 0.18 0.00 -0.52 0.00 0.00 55.73 54.72 2ply s ARG 461 Cb 0.34 -2.28 1.07 0.00 0.52 0.00 0.00 34.95 34.61 2ply s ARG 461 CO 0.01 0.50 1.97 -1.00 0.02 0.00 0.00 175.30 176.81 2ply h PRO 462 N 3.58 0.00 0.00 3.54 0.13 -1.86 -3.46 132.00 133.92 2ply h PRO 462 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2ply h PRO 462 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2ply h PRO 462 CO 0.52 0.21 0.00 0.41 -0.23 0.00 0.00 178.00 178.90 2ply n GLY 463 N -0.76 -1.97 3.77 1.56 0.00 -1.26 -4.63 105.19 101.89 2ply n GLY 463 Ca -0.02 -1.35 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 2ply n GLY 463 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ply s LEU 464 N 0.00 4.37 0.16 0.99 0.20 0.10 -4.74 118.68 119.76 2ply s LEU 464 Ca 0.00 2.17 -0.31 0.00 0.69 0.00 0.00 54.13 56.67 2ply s LEU 464 Cb 0.00 -3.87 -0.10 0.00 -0.43 0.00 0.00 46.19 41.78 2ply s LEU 464 CO 0.00 -0.30 1.65 0.00 -0.29 0.00 0.00 176.35 177.41 2ply s ALA 465 N -1.38 3.81 0.23 5.97 0.00 -1.26 -0.50 121.76 128.63 2ply s ALA 465 Ca 0.50 1.41 -0.09 0.00 0.00 0.00 0.00 51.96 53.79 2ply s ALA 465 Cb -0.28 -3.67 0.38 0.00 0.00 0.00 0.00 23.12 19.55 2ply s ALA 465 CO 0.35 -0.92 1.64 0.00 0.00 0.00 0.00 175.76 176.84 2ply h ARG 466 N 7.23 0.10 -0.50 0.00 3.08 -1.32 0.20 114.38 123.16 2ply h ARG 466 Ca -0.43 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.52 2ply h ARG 466 Cb 1.20 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 2ply h ARG 466 CO 0.93 0.07 -0.05 0.93 -1.07 0.00 0.00 179.97 180.78 2ply h GLU 467 N 0.10 0.92 -1.00 0.04 4.39 -1.91 0.17 114.58 117.29 2ply h GLU 467 Ca 0.38 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.77 2ply h GLU 467 Cb 0.64 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.17 2ply h GLU 467 CO -0.62 0.97 0.66 1.49 -1.16 0.00 0.00 179.01 180.35 2ply h GLU 468 N 0.78 1.31 0.82 2.33 4.22 -1.66 0.06 114.58 122.45 2ply h GLU 468 Ca 0.14 -0.08 -0.04 0.00 0.08 0.00 0.00 59.36 59.46 2ply h GLU 468 Cb 0.59 -0.30 0.01 0.00 0.50 0.00 0.00 28.75 29.55 2ply h GLU 468 CO 0.04 0.87 -0.40 1.25 -2.18 0.00 0.00 179.01 178.59 2ply h LEU 469 N 1.35 -0.94 -0.04 1.64 5.85 -0.37 -3.07 115.31 119.74 2ply h LEU 469 Ca 0.37 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.13 2ply h LEU 469 Cb -0.15 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 2ply h LEU 469 CO -0.08 -0.61 -0.49 -0.09 -0.34 0.00 0.00 178.44 176.82 2ply h ARG 470 N -1.21 -0.57 -0.11 1.25 2.43 -0.23 0.76 114.38 116.70 2ply h ARG 470 Ca -0.11 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2ply h ARG 470 Cb 0.86 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2ply h ARG 470 CO 0.19 -0.38 0.00 -1.13 -1.51 0.00 0.00 179.97 177.14 2ply n SER 471 N -5.17 0.11 -0.03 -3.80 3.41 -0.03 -0.40 113.62 107.71 2ply n SER 471 Ca -0.06 -0.88 -0.03 0.00 -0.26 0.00 0.00 58.87 57.63 2ply n SER 471 Cb 0.36 -0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.21 2ply n SER 471 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2ply n ARG 472 N -0.30 2.18 0.00 4.33 0.63 0.23 -4.55 116.66 119.18 2ply n ARG 472 Ca 0.00 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 2ply n ARG 472 Cb 0.03 -1.14 0.00 0.00 0.45 0.00 0.00 32.46 31.80 2ply n ARG 472 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2ply n TYR 473 N -2.36 0.00 -2.13 -0.14 4.02 -1.04 -4.73 117.16 110.77 2ply n TYR 473 Ca -0.10 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.53 2ply n TYR 473 Cb 0.67 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 40.00 2ply n TYR 473 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2ply n PHE 474 N -1.07 2.96 -0.29 -0.72 3.01 0.47 -4.89 117.46 116.93 2ply n PHE 474 Ca 0.00 -2.51 -0.08 0.00 1.01 0.00 0.00 57.45 55.88 2ply n PHE 474 Cb 0.06 -0.30 -0.04 0.00 -0.01 0.00 0.00 39.48 39.18 2ply n PHE 474 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2ply h SER 475 N 2.30 -1.66 -2.13 4.37 0.87 -1.75 -3.12 113.55 112.44 2ply h SER 475 Ca 0.36 0.28 -0.80 0.00 -1.23 0.00 0.00 61.79 60.40 2ply h SER 475 Cb 1.32 0.76 -0.26 0.00 -0.44 0.00 0.00 62.40 63.79 2ply h SER 475 CO 0.82 -0.31 1.14 0.54 -0.53 0.00 0.00 176.83 178.49 2ply n ARG 476 N -5.38 5.11 -4.18 2.24 3.00 -1.26 -4.89 116.66 111.29 2ply n ARG 476 Ca 0.03 -4.45 -0.17 0.00 -0.01 0.00 0.00 57.85 53.26 2ply n ARG 476 Cb 0.34 -2.46 -0.15 0.00 0.00 0.00 0.00 32.46 30.19 2ply n ARG 476 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2ply s LEU 477 N -4.13 1.89 0.00 0.55 1.98 -1.18 -5.11 118.68 112.69 2ply s LEU 477 Ca 0.42 -0.11 -0.30 0.00 -2.89 0.00 0.00 54.13 51.25 2ply s LEU 477 Cb 0.21 -0.32 -0.08 0.00 0.66 0.00 0.00 46.19 46.66 2ply s LEU 477 CO -0.16 0.05 1.98 -2.16 -1.89 0.00 0.00 176.35 174.18 2ply s PRO 478 N 0.04 4.02 0.11 0.98 0.04 -1.26 -4.86 135.00 134.07 2ply s PRO 478 Ca -0.00 2.52 0.04 0.00 0.04 0.00 0.00 61.00 63.61 2ply s PRO 478 Cb -0.04 -4.18 0.24 0.00 0.04 0.00 0.00 34.50 30.56 2ply s PRO 478 CO -0.00 -1.09 0.96 0.00 0.04 0.00 0.00 177.00 176.91 2ply n ALA 479 N 8.02 0.60 0.82 8.56 0.00 -1.26 -0.86 120.51 136.39 2ply n ALA 479 Ca 0.21 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.77 2ply n ALA 479 Cb 0.42 -0.65 -0.09 0.00 0.00 0.00 0.00 19.45 19.12 2ply n ALA 479 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2ply n ARG 480 N -1.55 1.25 -0.02 0.00 0.00 -1.26 -3.31 116.66 111.77 2ply n ARG 480 Ca -0.00 -0.06 -0.14 0.00 -0.00 0.00 0.00 57.85 57.65 2ply n ARG 480 Cb 0.25 -1.33 -0.14 0.00 -0.00 0.00 0.00 32.46 31.24 2ply n ARG 480 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2ply n VAL 481 N -1.32 1.66 -0.23 8.89 0.24 -0.04 -1.35 118.33 126.19 2ply n VAL 481 Ca 0.04 -0.74 -0.02 0.00 -2.04 0.00 0.00 64.34 61.57 2ply n VAL 481 Cb 0.28 -1.28 0.09 0.00 -1.47 0.00 0.00 33.84 31.45 2ply n VAL 481 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 2ply h TYR 482 N 0.03 0.71 -0.71 6.34 3.20 -1.74 1.34 116.97 126.13 2ply h TYR 482 Ca -0.36 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.52 2ply h TYR 482 Cb 2.03 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 40.05 2ply h TYR 482 CO 0.03 0.36 0.39 0.37 -1.64 0.00 0.00 178.16 177.67 2ply h GLN 483 N 0.72 0.99 -0.49 1.82 5.75 -1.62 -2.19 115.11 120.10 2ply h GLN 483 Ca 0.29 -0.11 -0.06 0.00 -0.15 0.00 0.00 58.65 58.61 2ply h GLN 483 Cb 0.14 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 2ply h GLN 483 CO -0.16 0.74 0.06 0.00 -2.65 0.00 0.00 178.83 176.82 2ply h ALA 484 N 1.20 0.65 -0.05 3.38 0.00 -0.60 -2.87 119.26 120.97 2ply h ALA 484 Ca 0.25 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2ply h ALA 484 Cb 0.03 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 2ply h ALA 484 CO -0.04 0.41 -0.33 1.25 0.00 0.00 0.00 179.25 180.53 2ply h LEU 485 N 0.70 -1.02 -0.33 0.00 5.85 0.19 -2.40 115.31 118.31 2ply h LEU 485 Ca 0.15 0.14 0.04 0.00 0.84 0.00 0.00 57.88 59.04 2ply h LEU 485 Cb 0.43 0.42 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 2ply h LEU 485 CO 0.01 -0.38 0.11 -0.07 -0.34 0.00 0.00 178.44 177.77 2ply h LEU 486 N -0.45 0.11 -1.28 2.25 3.38 -1.28 -1.35 115.31 116.69 2ply h LEU 486 Ca 0.07 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2ply h LEU 486 Cb 0.57 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2ply h LEU 486 CO -0.31 0.10 -0.29 -0.08 0.09 0.00 0.00 178.44 177.95 2ply h GLU 487 N 0.25 0.00 0.62 1.13 4.81 -1.38 0.11 114.58 120.12 2ply h GLU 487 Ca 0.15 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2ply h GLU 487 Cb 0.13 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.52 2ply h GLU 487 CO -0.16 0.29 -0.30 1.49 -0.73 0.00 0.00 179.01 179.60 2ply h GLU 488 N 0.00 -0.81 -1.07 1.92 4.57 -0.76 -2.18 114.58 116.25 2ply h GLU 488 Ca -0.00 0.05 0.29 0.00 -1.18 0.00 0.00 59.36 58.52 2ply h GLU 488 Cb 0.68 0.18 -0.08 0.00 -0.16 0.00 0.00 28.75 29.37 2ply h GLU 488 CO 0.04 -0.54 0.71 -1.49 -1.18 0.00 0.00 179.01 176.55 2ply h TRP 489 N -1.06 0.49 -0.74 0.92 6.55 -0.84 0.60 115.95 121.86 2ply h TRP 489 Ca -0.09 0.02 -0.06 0.00 0.95 0.00 0.00 58.89 59.71 2ply h TRP 489 Cb 0.64 -0.14 -0.03 0.00 -0.86 0.00 0.00 29.16 28.77 2ply h TRP 489 CO 0.03 0.03 0.22 1.03 -1.05 0.00 0.00 178.44 178.70 2ply h SER 490 N 0.28 1.09 -0.22 -3.49 0.87 -0.64 -0.90 113.55 110.54 2ply h SER 490 Ca 0.59 -0.21 -0.16 0.00 -1.23 0.00 0.00 61.79 60.78 2ply h SER 490 Cb 1.71 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.39 2ply h SER 490 CO -0.23 1.02 -0.47 -0.09 -0.53 0.00 0.00 176.83 176.53 2ply h ARG 491 N 1.10 0.71 0.00 2.24 1.12 0.81 0.22 114.38 120.58 2ply h ARG 491 Ca 0.24 -0.47 0.00 0.00 -1.11 0.00 0.00 59.98 58.64 2ply h ARG 491 Cb 0.33 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.35 2ply h ARG 491 CO -0.00 1.09 0.00 0.39 -3.11 0.00 0.00 179.97 178.34 2ply n GLU 492 N -4.15 0.00 -2.71 0.20 1.02 -0.57 -4.81 120.64 109.62 2ply n GLU 492 Ca -0.06 0.02 -0.21 0.00 -0.02 0.00 0.00 57.16 56.89 2ply n GLU 492 Cb 0.58 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.50 2ply n GLU 492 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ply n GLY 493 N -0.93 -0.51 0.10 0.62 0.00 0.06 -4.90 105.19 99.64 2ply n GLY 493 Ca 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 2ply n GLY 493 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ply n ARG 494 N -3.46 0.68 -4.41 1.61 1.74 -0.35 -4.77 116.66 107.70 2ply n ARG 494 Ca -0.17 0.02 -0.25 0.00 -0.77 0.00 0.00 57.85 56.68 2ply n ARG 494 Cb 0.65 -1.53 -0.13 0.00 -1.02 0.00 0.00 32.46 30.43 2ply n ARG 494 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2ply s LEU 495 N -5.63 2.26 -0.16 0.55 1.43 -1.14 -2.11 118.68 113.88 2ply s LEU 495 Ca -0.13 -0.64 -0.09 0.00 -1.03 0.00 0.00 54.13 52.25 2ply s LEU 495 Cb 0.06 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 45.31 2ply s LEU 495 CO 0.80 0.10 0.14 -1.10 0.23 0.00 0.00 176.35 176.52 2ply s GLN 496 N -1.67 3.83 -0.08 1.70 -0.21 0.06 -4.29 119.66 119.00 2ply s GLN 496 Ca 0.07 -0.17 0.03 0.00 0.02 0.00 0.00 55.36 55.31 2ply s GLN 496 Cb -0.10 -3.31 -0.02 0.00 1.00 0.00 0.00 33.01 30.59 2ply s GLN 496 CO 0.03 0.53 -0.16 -0.51 -2.12 0.00 0.00 175.29 173.06 2ply s LEU 497 N -0.31 2.58 0.00 2.90 1.43 -1.26 -1.94 118.68 122.07 2ply s LEU 497 Ca 0.11 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 2ply s LEU 497 Cb -0.12 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.58 2ply s LEU 497 CO 0.01 0.26 0.06 0.00 0.23 0.00 0.00 176.35 176.90 2ply n ALA 498 N 2.89 0.45 0.09 4.21 0.00 -0.30 -5.04 120.51 122.81 2ply n ALA 498 Ca -0.18 -2.09 -0.12 0.00 0.00 0.00 0.00 53.44 51.05 2ply n ALA 498 Cb 0.52 1.10 -0.05 0.00 0.00 0.00 0.00 19.45 21.02 2ply n ALA 498 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ply h ALA 499 N 1.16 -0.34 -0.01 0.00 0.00 -1.82 -3.34 119.26 114.90 2ply h ALA 499 Ca -0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2ply h ALA 499 Cb 1.17 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2ply h ALA 499 CO 0.62 -0.74 0.00 0.27 0.00 0.00 0.00 179.25 179.40 2ply n ASN 500 N -5.35 1.40 -4.22 0.00 0.23 -0.67 -4.97 115.26 101.67 2ply n ASN 500 Ca -0.06 -1.22 -0.19 0.00 -0.53 0.00 0.00 54.58 52.58 2ply n ASN 500 Cb 0.26 -0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.84 2ply n ASN 500 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2ply s THR 501 N -0.38 1.31 0.04 5.53 -4.23 -1.25 -0.86 115.64 115.80 2ply s THR 501 Ca 0.05 -1.55 0.03 0.00 -1.18 0.00 0.00 61.69 59.04 2ply s THR 501 Cb 0.03 -1.37 -0.04 0.00 1.34 0.00 0.00 72.50 72.46 2ply s THR 501 CO 0.05 -0.29 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.14 2ply s VAL 502 N -1.68 4.04 0.08 2.29 1.01 0.35 -1.15 120.40 125.34 2ply s VAL 502 Ca 0.05 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2ply s VAL 502 Cb -0.07 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 2ply s VAL 502 CO 0.03 0.28 -0.08 0.00 0.00 0.00 0.00 175.10 175.33 2ply s ALA 503 N -1.16 0.88 0.67 5.51 0.00 -0.82 -0.72 121.76 126.11 2ply s ALA 503 Ca 0.22 -1.13 -0.14 0.00 0.00 0.00 0.00 51.96 50.91 2ply s ALA 503 Cb -0.12 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.10 2ply s ALA 503 CO 0.13 -0.12 1.09 -0.51 0.00 0.00 0.00 175.76 176.35 2ply s LEU 504 N -2.45 3.33 0.02 0.00 1.02 -1.26 -0.76 118.68 118.58 2ply s LEU 504 Ca 0.03 1.92 -0.20 0.00 0.02 0.00 0.00 54.13 55.90 2ply s LEU 504 Cb -0.01 -4.54 -0.06 0.00 0.02 0.00 0.00 46.19 41.60 2ply s LEU 504 CO -0.02 -1.61 0.59 0.00 0.02 0.00 0.00 176.35 175.33 2ply s ALA 505 N -2.50 3.52 0.00 4.21 0.00 -0.90 -2.56 121.76 123.54 2ply s ALA 505 Ca 0.65 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2ply s ALA 505 Cb -0.19 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.22 2ply s ALA 505 CO 0.44 0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.85 2ply n GLY 506 N 2.21 2.58 3.70 0.00 0.00 -1.26 -4.98 105.19 107.44 2ply n GLY 506 Ca -0.08 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 2ply n GLY 506 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ply s PHE 507 N -0.33 2.57 -0.10 1.61 5.36 -1.06 -5.01 117.98 121.03 2ply s PHE 507 Ca 0.00 0.26 -0.00 0.00 -0.96 0.00 0.00 56.93 56.23 2ply s PHE 507 Cb 0.00 -4.08 0.02 0.00 -0.34 0.00 0.00 43.02 38.63 2ply s PHE 507 CO 0.00 -4.25 -0.06 0.99 -1.46 0.00 0.00 175.22 170.44 2ply s THR 508 N 2.00 0.84 0.69 0.12 2.01 -1.26 -5.02 115.64 115.02 2ply s THR 508 Ca 0.76 -0.18 -0.17 0.00 0.31 0.00 0.00 61.69 62.41 2ply s THR 508 Cb -0.45 -0.89 0.02 0.00 0.01 0.00 0.00 72.50 71.18 2ply s THR 508 CO 0.33 0.33 1.27 -2.16 -0.69 0.00 0.00 174.62 173.71 2ply s PRO 509 N 1.69 2.28 -0.70 4.92 0.04 -1.26 -4.79 135.00 137.18 2ply s PRO 509 Ca 0.03 1.98 -0.05 0.00 0.04 0.00 0.00 61.00 63.00 2ply s PRO 509 Cb -0.13 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.61 2ply s PRO 509 CO -0.06 -1.78 2.81 -1.13 0.04 0.00 0.00 177.00 176.87 2ply n SER 510 N -2.31 6.87 -4.87 6.66 3.41 0.19 -4.93 113.62 118.64 2ply n SER 510 Ca 0.15 -3.04 -0.31 0.00 -0.26 0.00 0.00 58.87 55.41 2ply n SER 510 Cb 0.49 -1.32 -0.01 0.00 -0.26 0.00 0.00 64.21 63.11 2ply n SER 510 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2ply s PHE 511 N -0.93 3.55 0.96 7.33 0.08 -1.26 -5.00 117.98 122.71 2ply s PHE 511 Ca 0.60 1.24 -0.11 0.00 0.12 0.00 0.00 56.93 58.77 2ply s PHE 511 Cb 0.31 -2.64 0.14 0.00 -0.57 0.00 0.00 43.02 40.26 2ply s PHE 511 CO -0.15 -0.46 0.93 -1.13 -0.10 0.00 0.00 175.22 174.32 2ply n SER 512 N -2.15 -0.51 0.22 1.36 3.41 -1.26 -4.80 113.62 109.88 2ply n SER 512 Ca 0.05 0.32 0.15 0.00 -0.26 0.00 0.00 58.87 59.13 2ply n SER 512 Cb 0.54 -1.38 0.61 0.00 -0.26 0.00 0.00 64.21 63.72 2ply n SER 512 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2ply h GLU 513 N -1.92 0.00 0.00 4.33 4.39 -1.99 -1.40 114.58 118.00 2ply h GLU 513 Ca -0.45 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.20 2ply h GLU 513 Cb 1.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 2ply h GLU 513 CO 0.40 0.00 -0.26 1.15 -1.16 0.00 0.00 179.01 179.14 2ply h THR 514 N 0.00 1.32 -0.96 1.13 2.02 -2.00 -3.12 112.91 111.30 2ply h THR 514 Ca 0.00 -2.08 0.31 0.00 0.77 0.00 0.00 66.41 65.41 2ply h THR 514 Cb 0.45 2.59 -0.16 0.00 -1.74 0.00 0.00 68.15 69.29 2ply h THR 514 CO 0.00 0.45 0.38 1.56 0.37 0.00 0.00 175.52 178.27 2ply h GLN 515 N -1.00 0.16 -0.06 6.66 4.20 -1.91 0.38 115.11 123.53 2ply h GLN 515 Ca -0.07 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 2ply h GLN 515 Cb 0.91 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 2ply h GLN 515 CO -0.04 0.10 -0.30 0.87 -0.67 0.00 0.00 178.83 178.79 2ply h LYS 516 N 0.16 0.11 0.03 1.46 1.57 -1.28 -1.26 116.57 117.37 2ply h LYS 516 Ca 0.69 -0.04 -0.24 0.00 -1.87 0.00 0.00 60.65 59.19 2ply h LYS 516 Cb 1.57 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.85 2ply h LYS 516 CO -0.71 0.41 -1.20 -0.22 -0.57 0.00 0.00 179.45 177.16 2ply h LYS 517 N 0.10 0.06 -0.63 3.15 3.11 -0.41 -3.25 116.57 118.70 2ply h LYS 517 Ca 0.01 -0.11 0.02 0.00 -2.81 0.00 0.00 60.65 57.77 2ply h LYS 517 Cb 0.59 0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.82 2ply h LYS 517 CO 0.04 0.96 0.39 -0.07 -2.81 0.00 0.00 179.45 177.97 2ply h LEU 518 N 0.02 0.65 -0.56 5.20 4.07 0.22 -2.30 115.31 122.61 2ply h LEU 518 Ca -0.10 -0.00 0.04 0.00 0.08 0.00 0.00 57.88 57.90 2ply h LEU 518 Cb 1.86 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 43.42 2ply h LEU 518 CO 0.14 0.45 0.32 -0.07 -1.08 0.00 0.00 178.44 178.20 2ply h LEU 519 N 0.78 0.49 -0.62 1.67 3.38 -1.31 0.28 115.31 119.98 2ply h LEU 519 Ca 0.25 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2ply h LEU 519 Cb 0.00 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2ply h LEU 519 CO -0.10 0.34 0.32 0.11 0.09 0.00 0.00 178.44 179.20 2ply h LYS 520 N 0.62 0.88 -0.19 1.13 1.57 -1.52 -2.27 116.57 116.79 2ply h LYS 520 Ca 0.24 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 2ply h LYS 520 Cb 0.09 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2ply h LYS 520 CO -0.13 0.69 -0.31 -0.44 -0.57 0.00 0.00 179.45 178.69 2ply h ASP 521 N 0.85 0.37 0.62 0.86 3.32 -0.80 -1.54 116.42 120.10 2ply h ASP 521 Ca 0.21 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 2ply h ASP 521 Cb 0.09 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.54 2ply h ASP 521 CO -0.03 0.67 -0.30 -0.07 -1.72 0.00 0.00 179.24 177.79 2ply h LEU 522 N 0.32 -0.71 -0.80 1.55 4.07 -0.25 0.41 115.31 119.90 2ply h LEU 522 Ca 0.04 0.02 0.19 0.00 0.08 0.00 0.00 57.88 58.22 2ply h LEU 522 Cb 0.70 0.18 -0.13 0.00 1.08 0.00 0.00 40.66 42.50 2ply h LEU 522 CO 0.05 -0.48 0.16 -0.08 -1.08 0.00 0.00 178.44 177.01 2ply h GLU 523 N -0.88 0.20 0.46 1.13 4.81 -1.34 -0.85 114.58 118.11 2ply h GLU 523 Ca -0.09 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 2ply h GLU 523 Cb 0.64 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2ply h GLU 523 CO 0.14 0.13 -0.22 -0.44 -0.73 0.00 0.00 179.01 177.89 2ply h ASP 524 N 0.21 -0.53 -0.93 1.04 5.19 -1.25 -0.88 116.42 119.26 2ply h ASP 524 Ca 0.47 0.02 0.09 0.00 -0.62 0.00 0.00 57.03 56.99 2ply h ASP 524 Cb 0.86 0.14 -0.07 0.00 0.18 0.00 0.00 39.33 40.45 2ply h ASP 524 CO -0.61 -0.38 0.60 0.50 -3.12 0.00 0.00 179.24 176.23 2ply h LYS 525 N -0.63 0.94 -0.33 3.56 1.63 0.39 -0.98 116.57 121.16 2ply h LYS 525 Ca -0.06 -0.06 -0.17 0.00 -0.85 0.00 0.00 60.65 59.51 2ply h LYS 525 Cb 0.48 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 31.90 2ply h LYS 525 CO 0.10 0.62 -0.46 1.88 -3.45 0.00 0.00 179.45 178.14 2ply h TYR 526 N 0.97 1.06 0.01 1.91 -1.99 -1.10 -2.28 116.97 115.54 2ply h TYR 526 Ca 0.42 -0.34 -0.00 0.00 2.00 0.00 0.00 58.73 60.81 2ply h TYR 526 Cb 0.35 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 38.87 2ply h TYR 526 CO -0.00 1.16 -0.00 -0.09 -0.00 0.00 0.00 178.16 179.22 2ply h ARG 527 N 0.69 -0.01 -0.31 4.88 2.43 0.16 -2.21 114.38 120.00 2ply h ARG 527 Ca 0.04 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2ply h ARG 527 Cb 1.05 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 2ply h ARG 527 CO 0.11 0.22 0.11 0.28 -1.51 0.00 0.00 179.97 179.18 2ply h VAL 528 N -0.24 1.13 0.00 0.20 2.07 -1.39 -1.77 116.25 116.25 2ply h VAL 528 Ca -0.00 -0.42 -0.09 0.00 0.82 0.00 0.00 66.70 67.01 2ply h VAL 528 Cb 0.24 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2ply h VAL 528 CO 0.00 0.16 -0.43 0.28 0.02 0.00 0.00 177.57 177.60 2ply h SER 529 N 0.44 0.00 0.00 0.57 0.02 -1.01 -3.47 113.55 110.10 2ply h SER 529 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2ply h SER 529 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2ply h SER 529 CO -0.01 0.43 0.00 -1.14 -1.14 0.00 0.00 176.83 174.97 2ply n ARG 530 N -3.73 0.00 0.00 3.45 0.63 -0.67 -1.15 116.66 115.20 2ply n ARG 530 Ca -0.01 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.01 2ply n ARG 530 Cb 0.50 0.00 0.50 0.00 0.45 0.00 0.00 32.46 33.91 2ply n ARG 530 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 2ply n TRP 531 N 14.00 0.00 -3.00 -0.14 8.01 -1.26 -3.70 117.44 131.36 2ply n TRP 531 Ca 0.00 0.00 -0.25 0.00 -1.31 0.00 0.00 57.50 55.94 2ply n TRP 531 Cb 0.00 -0.03 -0.04 0.00 -2.01 0.00 0.00 31.31 29.23 2ply n TRP 531 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 2ply n GLN 532 N -1.03 2.76 -1.66 -0.99 6.02 -0.30 -4.95 117.38 117.23 2ply n GLN 532 Ca 0.12 -4.55 -0.42 0.00 -0.01 0.00 0.00 57.00 52.15 2ply n GLN 532 Cb 0.07 -2.13 0.01 0.00 1.02 0.00 0.00 30.24 29.21 2ply n GLN 532 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2ply n PRO 533 N -0.13 1.68 -1.85 -1.09 -0.04 -1.24 -4.87 135.00 127.46 2ply n PRO 533 Ca 0.30 0.60 -0.34 0.00 -0.04 0.00 0.00 63.50 64.02 2ply n PRO 533 Cb 0.45 -2.20 0.04 0.00 -0.04 0.00 0.00 33.50 31.75 2ply n PRO 533 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2ply s PRO 534 N -2.04 2.86 0.51 0.54 0.04 -1.26 -5.01 135.00 130.63 2ply s PRO 534 Ca 0.61 1.50 -0.22 0.00 0.04 0.00 0.00 61.00 62.93 2ply s PRO 534 Cb -0.55 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 31.98 2ply s PRO 534 CO 0.58 -1.22 1.28 -1.58 0.04 0.00 0.00 177.00 176.10 2ply s TRP 535 N -2.14 2.54 0.26 0.56 0.52 -1.26 -4.70 118.94 114.72 2ply s TRP 535 Ca 0.70 1.44 -0.07 0.00 0.02 0.00 0.00 56.10 58.19 2ply s TRP 535 Cb -0.23 -3.63 0.47 0.00 -1.15 0.00 0.00 33.47 28.94 2ply s TRP 535 CO 0.38 -2.32 1.60 0.28 0.02 0.00 0.00 176.95 176.91 2ply h VAL 536 N 1.66 0.19 0.00 4.03 2.07 -1.59 -1.57 116.25 121.03 2ply h VAL 536 Ca -0.50 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 66.93 2ply h VAL 536 Cb 1.28 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2ply h VAL 536 CO 0.59 0.01 -0.36 0.07 0.02 0.00 0.00 177.57 177.89 2ply h LYS 537 N 0.04 0.00 -1.01 1.57 -0.00 -1.91 0.62 116.57 115.88 2ply h LYS 537 Ca 0.45 0.00 0.03 0.00 -0.00 0.00 0.00 60.65 61.13 2ply h LYS 537 Cb 0.78 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 32.96 2ply h LYS 537 CO -0.82 0.36 0.66 0.93 -0.00 0.00 0.00 179.45 180.59 2ply h GLU 538 N 0.00 1.27 0.08 0.07 5.08 -1.67 -1.70 114.58 117.72 2ply h GLU 538 Ca -0.00 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2ply h GLU 538 Cb 0.81 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2ply h GLU 538 CO 0.05 0.84 -0.04 0.28 -1.00 0.00 0.00 179.01 179.14 2ply h VAL 539 N 1.31 0.92 -0.94 3.13 2.07 -0.59 0.14 116.25 122.29 2ply h VAL 539 Ca 0.39 -1.43 0.12 0.00 0.82 0.00 0.00 66.70 66.59 2ply h VAL 539 Cb -0.06 1.64 -0.13 0.00 -1.52 0.00 0.00 31.29 31.22 2ply h VAL 539 CO -0.11 0.28 -0.45 0.00 0.02 0.00 0.00 177.57 177.31 2ply n ALA 540 N -2.63 -0.33 -0.26 1.67 0.00 0.20 0.39 120.51 119.55 2ply n ALA 540 Ca -0.07 0.87 -0.06 0.00 0.00 0.00 0.00 53.44 54.19 2ply n ALA 540 Cb 0.26 -0.29 0.06 0.00 0.00 0.00 0.00 19.45 19.48 2ply n ALA 540 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2ply h GLY 541 N 0.00 1.09 1.10 0.00 0.00 -1.31 0.28 103.07 104.23 2ply h GLY 541 Ca 0.25 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 2ply h GLY 541 CO -0.91 0.48 0.11 0.23 0.00 0.00 0.00 176.54 176.45 2ply h SER 542 N 1.00 1.05 -0.09 0.19 0.87 0.29 -0.10 113.55 116.75 2ply h SER 542 Ca 0.26 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2ply h SER 542 Cb 0.04 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 2ply h SER 542 CO -0.04 1.04 0.00 0.49 -0.53 0.00 0.00 176.83 177.79 2ply n PHE 543 N -4.21 0.09 -2.85 2.24 3.01 -0.51 -5.00 117.46 110.22 2ply n PHE 543 Ca 0.04 -0.04 -0.05 0.00 1.01 0.00 0.00 57.45 58.41 2ply n PHE 543 Cb 0.29 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.77 2ply n PHE 543 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2ply n ASN 544 N 1.14 -7.66 -3.85 4.37 5.15 -0.05 -5.03 115.26 109.33 2ply n ASN 544 Ca 0.16 0.33 -0.12 0.00 -0.60 0.00 0.00 54.58 54.35 2ply n ASN 544 Cb 0.55 -5.19 -0.12 0.00 -0.53 0.00 0.00 39.78 34.49 2ply n ASN 544 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2ply s LEU 545 N -2.98 1.62 0.21 1.20 1.43 0.90 -5.01 118.68 116.05 2ply s LEU 545 Ca 0.16 0.08 -0.31 0.00 -1.03 0.00 0.00 54.13 53.04 2ply s LEU 545 Cb -0.05 0.42 -0.10 0.00 0.03 0.00 0.00 46.19 46.50 2ply s LEU 545 CO 0.73 -0.13 1.47 -0.62 0.23 0.00 0.00 176.35 178.03 2ply s ASP 546 N -0.36 6.65 0.00 2.29 -1.08 -1.26 -4.59 116.67 118.33 2ply s ASP 546 Ca -0.04 2.61 0.00 0.00 -0.52 0.00 0.00 52.55 54.60 2ply s ASP 546 Cb -0.03 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 2ply s ASP 546 CO 0.00 -0.73 0.17 -2.65 0.52 0.00 0.00 175.17 172.48 2ply n PRO 547 N 2.97 0.00 0.24 4.34 -0.01 -1.26 -1.16 135.00 140.12 2ply n PRO 547 Ca 0.09 0.17 0.18 0.00 -0.01 0.00 0.00 63.50 63.93 2ply n PRO 547 Cb 0.40 -0.27 0.87 0.00 -0.01 0.00 0.00 33.50 34.49 2ply n PRO 547 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 175.50 176.15 2ply h SER 548 N 0.00 0.00 0.18 2.55 4.64 -1.99 -0.13 113.55 118.80 2ply h SER 548 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 2ply h SER 548 Cb 0.00 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.12 2ply h SER 548 CO 0.00 0.00 -1.33 -0.08 -0.87 0.00 0.00 176.83 174.55 2ply h GLU 549 N 0.00 0.60 -0.63 4.77 4.81 -1.51 -2.87 114.58 119.75 2ply h GLU 549 Ca 0.07 -0.87 -0.07 0.00 -0.13 0.00 0.00 59.36 58.36 2ply h GLU 549 Cb 0.54 0.30 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 2ply h GLU 549 CO -0.00 1.40 0.11 1.25 -0.73 0.00 0.00 179.01 181.05 2ply h LEU 550 N 0.23 1.00 -0.72 1.64 5.85 -0.78 -1.30 115.31 121.23 2ply h LEU 550 Ca -0.21 -0.26 0.14 0.00 0.84 0.00 0.00 57.88 58.40 2ply h LEU 550 Cb 2.01 -0.26 -0.10 0.00 0.37 0.00 0.00 40.66 42.68 2ply h LEU 550 CO 0.25 1.00 0.23 -0.08 -0.34 0.00 0.00 178.44 179.50 2ply h GLU 551 N 0.96 0.35 -0.22 1.25 4.22 -1.38 0.45 114.58 120.21 2ply h GLU 551 Ca 0.19 -0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.54 2ply h GLU 551 Cb 0.42 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2ply h GLU 551 CO 0.01 0.23 -0.14 1.49 -2.18 0.00 0.00 179.01 178.42 2ply h GLU 552 N 0.36 0.48 -0.33 1.92 4.81 -1.10 0.56 114.58 121.27 2ply h GLU 552 Ca 0.40 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2ply h GLU 552 Cb 0.63 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2ply h GLU 552 CO -0.44 0.77 0.09 -0.07 -0.73 0.00 0.00 179.01 178.64 2ply h LEU 553 N 0.17 0.49 -0.65 1.64 3.38 -0.89 0.76 115.31 120.21 2ply h LEU 553 Ca 0.04 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 2ply h LEU 553 Cb 0.65 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2ply h LEU 553 CO 0.04 0.58 -0.04 -0.07 0.09 0.00 0.00 178.44 179.05 2ply h LEU 554 N 0.37 1.00 -1.46 1.67 3.38 0.22 -1.45 115.31 119.05 2ply h LEU 554 Ca 0.10 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 2ply h LEU 554 Cb 0.28 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2ply h LEU 554 CO -0.00 1.07 -0.22 -0.74 0.09 0.00 0.00 178.44 178.64 2ply h HIS 555 N 0.92 0.08 0.77 1.13 2.76 0.31 -0.36 115.15 120.76 2ply h HIS 555 Ca 0.16 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 2ply h HIS 555 Cb 0.58 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 29.53 2ply h HIS 555 CO 0.04 0.29 -0.37 -0.92 -1.30 0.00 0.00 177.93 175.67 2ply h TYR 556 N 0.07 -0.96 -0.76 5.26 3.20 0.19 -2.68 116.97 121.30 2ply h TYR 556 Ca 0.01 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.02 2ply h TYR 556 Cb 0.43 0.32 -0.11 0.00 1.54 0.00 0.00 36.73 38.91 2ply h TYR 556 CO 0.00 -0.58 0.24 -0.07 -1.64 0.00 0.00 178.16 176.12 2ply h LEU 557 N -1.13 0.14 -0.03 2.82 3.38 -1.22 -1.85 115.31 117.43 2ply h LEU 557 Ca -0.11 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2ply h LEU 557 Cb 0.81 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 2ply h LEU 557 CO 0.17 0.02 -0.19 0.58 0.09 0.00 0.00 178.44 179.11 2ply h VAL 558 N 0.35 0.54 -0.82 1.22 2.07 -1.06 -0.58 116.25 117.96 2ply h VAL 558 Ca 0.43 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.10 2ply h VAL 558 Cb 0.71 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 2ply h VAL 558 CO -0.47 0.00 0.54 0.03 0.02 0.00 0.00 177.57 177.69 2ply h ARG 559 N -0.29 0.49 0.00 1.57 3.08 -1.08 0.44 114.38 118.58 2ply h ARG 559 Ca 0.07 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 2ply h ARG 559 Cb 0.38 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2ply h ARG 559 CO -0.20 0.32 -0.50 1.49 -1.07 0.00 0.00 179.97 180.01 2ply h GLU 560 N 0.50 0.00 0.00 0.04 4.81 -0.43 -3.40 114.58 116.10 2ply h GLU 560 Ca 0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 2ply h GLU 560 Cb 0.85 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.23 2ply h GLU 560 CO -0.15 0.50 0.00 0.41 -0.73 0.00 0.00 179.01 179.04 2ply n GLY 561 N 0.54 0.88 0.07 1.92 0.00 0.15 -1.67 105.19 107.07 2ply n GLY 561 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2ply n GLY 561 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2ply h VAL 562 N 0.00 1.52 -3.43 1.61 2.07 -1.60 -3.42 116.25 113.00 2ply h VAL 562 Ca 0.00 -3.26 -0.46 0.00 0.82 0.00 0.00 66.70 63.80 2ply h VAL 562 Cb 0.00 2.75 -0.18 0.00 -1.52 0.00 0.00 31.29 32.34 2ply h VAL 562 CO 0.00 0.87 -0.77 -0.76 0.02 0.00 0.00 177.57 176.93 2ply s LEU 563 N -6.57 2.43 -0.04 2.57 1.43 -1.21 -1.98 118.68 115.31 2ply s LEU 563 Ca -0.00 -0.85 0.05 0.00 -1.03 0.00 0.00 54.13 52.30 2ply s LEU 563 Cb 0.10 -0.67 -0.01 0.00 0.03 0.00 0.00 46.19 45.64 2ply s LEU 563 CO 0.82 -0.10 -0.18 -0.69 0.23 0.00 0.00 176.35 176.42 2ply s VAL 564 N -2.17 1.49 -0.50 -1.59 1.01 0.11 -4.18 120.40 114.57 2ply s VAL 564 Ca 0.13 -0.77 -0.26 0.00 0.00 0.00 0.00 61.98 61.08 2ply s VAL 564 Cb -0.05 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.10 2ply s VAL 564 CO 0.05 0.43 1.01 -0.75 0.00 0.00 0.00 175.10 175.84 2ply s LYS 565 N -0.11 3.53 -0.13 2.72 2.20 -1.26 -0.52 119.74 126.17 2ply s LYS 565 Ca -0.01 0.18 -0.15 0.00 -0.36 0.00 0.00 55.97 55.63 2ply s LYS 565 Cb -0.10 -3.96 -0.13 0.00 -1.51 0.00 0.00 37.83 32.13 2ply s LYS 565 CO 0.01 -1.38 0.35 0.82 -0.36 0.00 0.00 175.35 174.79 2ply h ILE 566 N 6.12 0.86 -1.24 5.43 5.03 -1.15 -3.49 117.51 129.07 2ply h ILE 566 Ca -0.24 -1.67 0.00 0.00 -0.12 0.00 0.00 64.86 62.82 2ply h ILE 566 Cb 1.07 1.65 0.00 0.00 -3.03 0.00 0.00 36.82 36.51 2ply h ILE 566 CO 1.08 0.29 0.00 -0.46 -0.68 0.00 0.00 178.15 178.39 2ply n ASN 567 N -4.67 0.00 0.21 1.72 0.23 -0.99 -4.57 115.26 107.18 2ply n ASN 567 Ca -0.07 -0.24 0.10 0.00 -0.53 0.00 0.00 54.58 53.84 2ply n ASN 567 Cb 0.27 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.18 2ply n ASN 567 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2ply h ASP 568 N 0.00 0.00 0.80 0.53 3.45 -2.03 -3.18 116.42 115.99 2ply h ASP 568 Ca 0.00 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.35 2ply h ASP 568 Cb 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 2ply h ASP 568 CO 0.00 0.14 -1.28 -0.62 -1.57 0.00 0.00 179.24 175.91 2ply n GLU 569 N -3.15 0.62 -3.90 3.56 4.71 -1.26 -4.80 120.64 116.41 2ply n GLU 569 Ca 0.03 0.19 -0.27 0.00 -0.01 0.00 0.00 57.16 57.10 2ply n GLU 569 Cb 0.55 -1.82 -0.17 0.00 -1.01 0.00 0.00 31.44 28.99 2ply n GLU 569 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 2ply s PHE 570 N -3.07 1.50 -0.02 -0.32 0.40 -1.20 -1.54 117.98 113.73 2ply s PHE 570 Ca -0.02 -0.78 0.00 0.00 -0.60 0.00 0.00 56.93 55.53 2ply s PHE 570 Cb 0.09 -1.24 -0.04 0.00 0.51 0.00 0.00 43.02 42.35 2ply s PHE 570 CO 0.80 -0.53 0.03 0.71 0.70 0.00 0.00 175.22 176.94 2ply s TYR 571 N 1.70 3.17 0.09 0.36 1.51 -1.26 -0.51 117.35 122.41 2ply s TYR 571 Ca 0.04 0.15 0.09 0.00 -1.01 0.00 0.00 57.07 56.34 2ply s TYR 571 Cb -0.13 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 39.97 2ply s TYR 571 CO -0.08 0.50 -0.19 -1.58 -1.11 0.00 0.00 175.55 173.08 2ply s TRP 572 N -1.09 2.51 0.38 2.71 0.52 0.32 -4.78 118.94 119.51 2ply s TRP 572 Ca 0.19 -0.28 -0.27 0.00 0.02 0.00 0.00 56.10 55.77 2ply s TRP 572 Cb -0.12 -1.38 -0.09 0.00 -1.15 0.00 0.00 33.47 30.74 2ply s TRP 572 CO 0.10 0.32 1.26 -1.58 0.02 0.00 0.00 176.95 177.07 2ply s HIS 573 N -1.04 2.97 0.18 -1.98 5.65 -1.26 0.09 115.29 119.90 2ply s HIS 573 Ca 0.16 1.46 -0.09 0.00 0.25 0.00 0.00 55.06 56.85 2ply s HIS 573 Cb -0.10 -3.58 0.08 0.00 -1.18 0.00 0.00 32.58 27.79 2ply s HIS 573 CO 0.08 -1.76 1.65 0.07 -0.65 0.00 0.00 174.74 174.13 2ply h ARG 574 N 2.88 1.10 -0.37 2.88 0.11 -1.64 -0.73 114.38 118.61 2ply h ARG 574 Ca -0.49 -0.34 0.03 0.00 0.10 0.00 0.00 59.98 59.29 2ply h ARG 574 Cb 1.24 -0.11 -0.03 0.00 1.11 0.00 0.00 29.97 32.18 2ply h ARG 574 CO 0.63 1.05 0.16 1.96 0.10 0.00 0.00 179.97 183.88 2ply h GLN 575 N 1.00 0.33 -0.50 0.08 4.20 -1.92 -0.45 115.11 117.86 2ply h GLN 575 Ca 0.18 -0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.97 2ply h GLN 575 Cb 0.54 -0.07 -0.09 0.00 0.30 0.00 0.00 27.48 28.16 2ply h GLN 575 CO 0.03 0.22 -0.03 0.00 -0.67 0.00 0.00 178.83 178.37 2ply h ALA 576 N 1.21 0.44 -0.25 3.87 0.00 -1.79 -0.36 119.26 122.38 2ply h ALA 576 Ca 0.16 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 2ply h ALA 576 Cb 0.09 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2ply h ALA 576 CO -0.13 -0.40 -0.14 1.25 0.00 0.00 0.00 179.25 179.83 2ply h LEU 577 N 0.08 0.56 -0.63 0.00 5.85 -0.57 -0.80 115.31 119.81 2ply h LEU 577 Ca 0.25 -0.42 0.11 0.00 0.84 0.00 0.00 57.88 58.66 2ply h LEU 577 Cb 0.38 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.18 2ply h LEU 577 CO -0.45 0.85 0.19 1.23 -0.34 0.00 0.00 178.44 179.93 2ply h GLY 578 N 0.26 0.86 2.00 3.75 0.00 -0.85 -1.31 103.07 107.78 2ply h GLY 578 Ca 0.05 -0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 2ply h GLY 578 CO 0.04 -0.08 -0.37 1.05 0.00 0.00 0.00 176.54 177.18 2ply h GLU 579 N 0.34 0.00 -0.39 4.80 4.11 -0.14 -1.96 114.58 121.34 2ply h GLU 579 Ca 0.33 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.60 2ply h GLU 579 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2ply h GLU 579 CO -0.37 0.37 -0.37 0.00 0.07 0.00 0.00 179.01 178.71 2ply h ALA 580 N 1.63 0.59 0.11 1.06 0.00 -0.29 -2.23 119.26 120.12 2ply h ALA 580 Ca -0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2ply h ALA 580 Cb 0.68 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2ply h ALA 580 CO 0.05 0.68 -0.05 0.00 0.00 0.00 0.00 179.25 179.92 2ply h ARG 581 N 0.77 -0.14 -0.63 0.00 3.08 -0.96 -0.81 114.38 115.69 2ply h ARG 581 Ca 0.06 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.26 2ply h ARG 581 Cb 0.97 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.94 2ply h ARG 581 CO 0.09 -0.03 -0.03 0.93 -1.07 0.00 0.00 179.97 179.87 2ply h GLU 582 N -0.22 0.09 -0.73 0.04 5.08 -1.33 0.28 114.58 117.78 2ply h GLU 582 Ca -0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2ply h GLU 582 Cb 0.18 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 2ply h GLU 582 CO 0.02 0.06 0.45 0.28 -1.00 0.00 0.00 179.01 178.82 2ply h VAL 583 N 0.09 1.20 -0.01 3.13 2.07 -0.82 -2.07 116.25 119.83 2ply h VAL 583 Ca 0.32 -0.43 -0.19 0.00 0.82 0.00 0.00 66.70 67.22 2ply h VAL 583 Cb 0.53 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2ply h VAL 583 CO -0.56 0.21 -0.84 0.40 0.02 0.00 0.00 177.57 176.80 2ply h ILE 584 N 0.99 1.46 -0.36 4.57 2.04 0.06 -1.50 117.51 124.77 2ply h ILE 584 Ca 0.26 -2.48 -0.06 0.00 1.00 0.00 0.00 64.86 63.58 2ply h ILE 584 Cb -0.05 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 2ply h ILE 584 CO -0.05 0.73 -0.01 0.50 0.00 0.00 0.00 178.15 179.31 2ply h LYS 585 N 0.14 0.65 -0.12 2.37 3.64 -0.23 -0.27 116.57 122.75 2ply h LYS 585 Ca -0.04 -0.21 0.04 0.00 -1.27 0.00 0.00 60.65 59.16 2ply h LYS 585 Cb 1.45 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.17 2ply h LYS 585 CO 0.13 0.77 -0.12 -0.97 -2.27 0.00 0.00 179.45 176.99 2ply h ASN 586 N 0.46 -0.36 -0.74 4.20 -1.24 -1.26 -2.20 115.58 114.43 2ply h ASN 586 Ca 0.10 0.07 0.16 0.00 0.71 0.00 0.00 56.30 57.34 2ply h ASN 586 Cb 0.48 0.18 -0.11 0.00 0.73 0.00 0.00 38.32 39.61 2ply h ASN 586 CO 0.02 -0.15 0.21 0.25 -1.29 0.00 0.00 177.43 176.47 2ply h LEU 587 N -0.14 0.08 0.00 0.34 5.85 -1.09 -2.05 115.31 118.30 2ply h LEU 587 Ca 0.08 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2ply h LEU 587 Cb 0.26 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2ply h LEU 587 CO -0.21 -0.01 0.00 0.00 -0.34 0.00 0.00 178.44 177.89 2ply n ALA 588 N -2.62 2.24 0.59 1.25 0.00 -0.13 -3.40 120.51 118.44 2ply n ALA 588 Ca 0.14 -0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.56 2ply n ALA 588 Cb 0.46 -1.43 0.36 0.00 0.00 0.00 0.00 19.45 18.84 2ply n ALA 588 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ply n SER 589 N -1.43 0.00 -1.01 0.00 3.41 -0.77 -1.22 113.62 112.60 2ply n SER 589 Ca 0.08 0.47 0.08 0.00 -0.26 0.00 0.00 58.87 59.24 2ply n SER 589 Cb 0.27 -0.49 0.25 0.00 -0.26 0.00 0.00 64.21 63.99 2ply n SER 589 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2ply n THR 590 N -1.49 1.74 0.00 6.66 -2.24 -1.22 -5.06 114.28 112.67 2ply n THR 590 Ca 0.04 -1.39 0.00 0.00 -2.27 0.00 0.00 64.05 60.44 2ply n THR 590 Cb 0.19 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 2ply n THR 590 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ply n GLY 591 N 0.30 1.03 3.75 3.38 0.00 -0.36 -5.06 105.19 108.24 2ply n GLY 591 Ca 0.19 -2.25 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 2ply n GLY 591 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ply s PRO 592 N -1.18 3.28 0.08 1.61 0.04 -1.26 -4.37 135.00 133.21 2ply s PRO 592 Ca 0.00 2.10 0.04 0.00 0.04 0.00 0.00 61.00 63.18 2ply s PRO 592 Cb 0.00 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 2ply s PRO 592 CO 0.00 -1.04 -0.12 -0.59 0.04 0.00 0.00 177.00 175.30 2ply s PHE 593 N -1.38 1.12 0.30 0.56 -0.12 0.36 -4.86 117.98 113.96 2ply s PHE 593 Ca 0.70 -0.55 0.05 0.00 -0.05 0.00 0.00 56.93 57.08 2ply s PHE 593 Cb -0.37 -0.62 0.05 0.00 -0.63 0.00 0.00 43.02 41.45 2ply s PHE 593 CO 0.44 0.03 0.41 0.41 -0.05 0.00 0.00 175.22 176.46 2ply n GLY 594 N 0.93 1.95 0.13 1.99 0.00 -1.26 0.04 105.19 108.97 2ply n GLY 594 Ca -0.19 -2.18 -0.20 0.00 0.00 0.00 0.00 46.02 43.45 2ply n GLY 594 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ply h LEU 595 N 0.00 0.56 -1.49 0.99 5.85 -1.99 -1.87 115.31 117.36 2ply h LEU 595 Ca -0.14 -0.88 0.13 0.00 0.84 0.00 0.00 57.88 57.83 2ply h LEU 595 Cb 0.64 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 2ply h LEU 595 CO 0.20 1.39 0.50 0.00 -0.34 0.00 0.00 178.44 180.19 2ply h ALA 596 N 0.18 1.98 -0.25 1.25 0.00 -1.98 0.97 119.26 121.41 2ply h ALA 596 Ca -0.14 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2ply h ALA 596 Cb 1.61 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2ply h ALA 596 CO 0.16 -0.17 -0.22 0.93 0.00 0.00 0.00 179.25 179.96 2ply h GLU 597 N 0.53 0.59 -0.81 0.00 5.08 -1.84 -0.14 114.58 117.99 2ply h GLU 597 Ca 0.37 -0.30 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 2ply h GLU 597 Cb 0.69 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 2ply h GLU 597 CO -0.13 0.89 0.50 0.00 -1.00 0.00 0.00 179.01 179.27 2ply h ALA 598 N 0.69 1.09 -0.52 3.43 0.00 -1.10 -2.09 119.26 120.75 2ply h ALA 598 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2ply h ALA 598 Cb 0.77 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2ply h ALA 598 CO 0.06 0.26 -0.08 -0.09 0.00 0.00 0.00 179.25 179.39 2ply h ARG 599 N 0.93 0.97 -0.16 0.00 1.12 -0.62 -0.66 114.38 115.96 2ply h ARG 599 Ca 0.34 -0.35 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2ply h ARG 599 Cb 0.12 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.00 2ply h ARG 599 CO -0.15 1.02 0.10 -0.44 -3.11 0.00 0.00 179.97 177.38 2ply h ASP 600 N 0.84 0.16 -0.54 -3.80 3.32 -0.89 -1.86 116.42 113.65 2ply h ASP 600 Ca 0.14 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 2ply h ASP 600 Cb 0.63 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 2ply h ASP 600 CO 0.04 0.12 0.33 0.00 -1.72 0.00 0.00 179.24 178.02 2ply h ALA 601 N 1.07 0.69 -0.01 3.45 0.00 -1.21 -2.91 119.26 120.34 2ply h ALA 601 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ply h ALA 601 Cb -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2ply h ALA 601 CO -0.02 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.67 2ply n LEU 602 N -4.67 0.53 -3.79 0.00 4.77 -0.27 -4.91 117.00 108.66 2ply n LEU 602 Ca 0.03 -0.18 -0.29 0.00 -0.03 0.00 0.00 56.01 55.54 2ply n LEU 602 Cb 0.05 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2ply n LEU 602 CO 0.36 0.09 0.11 0.61 -1.33 0.00 0.00 177.39 177.22 2ply n GLY 603 N 1.04 -0.50 0.00 -0.72 0.00 -0.77 -4.95 105.19 99.29 2ply n GLY 603 Ca 0.21 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2ply n GLY 603 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ply n SER 604 N -2.78 0.41 -4.07 1.61 2.88 -0.79 -5.05 113.62 105.82 2ply n SER 604 Ca 0.03 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.49 2ply n SER 604 Cb 0.53 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 2ply n SER 604 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ply s SER 605 N 1.00 0.46 0.32 -3.46 1.04 -1.26 -4.88 113.70 106.91 2ply s SER 605 Ca 0.00 -0.91 0.09 0.00 0.48 0.00 0.00 55.95 55.62 2ply s SER 605 Cb 0.00 0.18 0.90 0.00 0.10 0.00 0.00 66.02 67.20 2ply s SER 605 CO 0.00 -0.54 1.69 0.03 0.98 0.00 0.00 173.24 175.40 2ply h ARG 606 N 3.43 0.40 -0.87 4.02 3.08 -1.97 0.90 114.38 123.38 2ply h ARG 606 Ca -0.34 -0.02 0.16 0.00 0.07 0.00 0.00 59.98 59.85 2ply h ARG 606 Cb 1.15 -0.09 -0.16 0.00 0.08 0.00 0.00 29.97 30.95 2ply h ARG 606 CO 0.61 0.27 -0.28 -0.22 -1.07 0.00 0.00 179.97 179.28 2ply h LYS 607 N 0.42 -0.02 0.20 0.04 3.64 -2.02 -1.39 116.57 117.43 2ply h LYS 607 Ca 0.65 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.68 2ply h LYS 607 Cb 1.33 0.01 0.02 0.00 -0.41 0.00 0.00 32.23 33.17 2ply h LYS 607 CO -0.55 -0.02 -1.67 1.88 -2.27 0.00 0.00 179.45 176.82 2ply h TYR 608 N -0.02 0.76 0.02 1.91 -1.99 -1.26 -3.40 116.97 112.98 2ply h TYR 608 Ca 0.38 -0.56 -0.00 0.00 2.00 0.00 0.00 58.73 60.55 2ply h TYR 608 Cb 0.62 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.32 2ply h TYR 608 CO -0.73 1.63 -0.01 0.28 -0.00 0.00 0.00 178.16 179.33 2ply h VAL 609 N 0.11 1.31 -0.31 -2.88 2.07 -0.73 -2.79 116.25 113.04 2ply h VAL 609 Ca -0.31 -1.07 0.06 0.00 0.82 0.00 0.00 66.70 66.20 2ply h VAL 609 Cb 2.11 2.03 -0.06 0.00 -1.52 0.00 0.00 31.29 33.85 2ply h VAL 609 CO 0.20 0.27 -0.05 0.25 0.02 0.00 0.00 177.57 178.26 2ply h LEU 610 N -0.50 -0.24 -0.78 2.57 5.85 -1.51 0.22 115.31 120.93 2ply h LEU 610 Ca -0.00 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.88 2ply h LEU 610 Cb 0.47 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.61 2ply h LEU 610 CO 0.01 -0.08 0.44 -0.65 -0.34 0.00 0.00 178.44 177.82 2ply h PRO 611 N 0.03 0.75 -0.46 5.25 0.11 -1.77 0.45 132.00 136.35 2ply h PRO 611 Ca 0.15 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 2ply h PRO 611 Cb 0.22 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 2ply h PRO 611 CO -0.30 0.50 0.22 1.25 -0.21 0.00 0.00 178.00 179.46 2ply h LEU 612 N 0.78 0.61 -0.43 2.35 5.85 -0.75 0.26 115.31 123.97 2ply h LEU 612 Ca 0.36 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 2ply h LEU 612 Cb 0.28 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2ply h LEU 612 CO -0.22 0.57 0.27 -0.07 -0.34 0.00 0.00 178.44 178.65 2ply h LEU 613 N 0.60 0.51 -0.80 2.25 3.38 0.01 -0.87 115.31 120.40 2ply h LEU 613 Ca 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2ply h LEU 613 Cb 0.13 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2ply h LEU 613 CO -0.02 0.41 0.51 -0.33 0.09 0.00 0.00 178.44 179.10 2ply h GLU 614 N 0.58 1.07 -0.49 1.13 5.08 0.92 0.19 114.58 123.05 2ply h GLU 614 Ca 0.16 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2ply h GLU 614 Cb -0.02 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 2ply h GLU 614 CO -0.03 0.73 0.29 -0.92 -1.00 0.00 0.00 179.01 178.08 2ply h TYR 615 N 1.09 0.66 -0.46 4.33 3.20 -0.24 -1.55 116.97 124.00 2ply h TYR 615 Ca 0.29 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2ply h TYR 615 Cb -0.09 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 37.94 2ply h TYR 615 CO -0.01 0.47 0.30 -0.07 -1.64 0.00 0.00 178.16 177.21 2ply h LEU 616 N 0.66 0.53 -0.52 2.82 3.38 -0.19 -0.48 115.31 121.51 2ply h LEU 616 Ca 0.18 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2ply h LEU 616 Cb 0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2ply h LEU 616 CO -0.03 0.39 0.22 0.44 0.09 0.00 0.00 178.44 179.54 2ply h ASP 617 N 0.63 0.71 0.31 -0.43 3.32 -0.18 -0.97 116.42 119.80 2ply h ASP 617 Ca 0.17 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 2ply h ASP 617 Cb -0.06 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 2ply h ASP 617 CO -0.04 0.68 -0.20 1.56 -1.72 0.00 0.00 179.24 179.52 2ply h GLN 618 N 0.70 -0.48 0.00 3.56 4.20 -0.25 -1.97 115.11 120.87 2ply h GLN 618 Ca 0.17 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2ply h GLN 618 Cb 0.18 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2ply h GLN 618 CO -0.02 -0.32 0.00 1.33 -0.67 0.00 0.00 178.83 179.15 2ply n VAL 619 N -5.33 0.00 -3.17 -0.54 0.24 -0.30 -4.85 118.33 104.37 2ply n VAL 619 Ca -0.10 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.06 2ply n VAL 619 Cb 0.24 -0.45 0.07 0.00 -1.47 0.00 0.00 33.84 32.22 2ply n VAL 619 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2ply n LYS 620 N -0.78 -5.43 -0.07 7.34 4.01 -0.74 -4.92 118.16 117.57 2ply n LYS 620 Ca 0.09 0.67 -0.14 0.00 -0.51 0.00 0.00 58.31 58.41 2ply n LYS 620 Cb 0.04 -5.16 -0.05 0.00 -0.51 0.00 0.00 35.03 29.36 2ply n LYS 620 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2ply n PHE 621 N -3.66 0.00 -2.91 2.13 7.35 -0.41 -4.71 117.46 115.26 2ply n PHE 621 Ca -0.18 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.42 2ply n PHE 621 Cb 0.62 -0.52 0.03 0.00 0.35 0.00 0.00 39.48 39.96 2ply n PHE 621 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 2ply n THR 622 N -3.93 0.00 -3.50 -2.13 -2.24 -1.13 -1.50 114.28 99.85 2ply n THR 622 Ca -0.25 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 2ply n THR 622 Cb 0.59 -0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 67.92 2ply n THR 622 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2ply s ARG 623 N -3.21 0.40 0.45 -0.78 3.52 -0.52 -4.36 118.95 114.45 2ply s ARG 623 Ca 0.27 0.94 -0.24 0.00 -0.13 0.00 0.00 55.73 56.56 2ply s ARG 623 Cb -0.02 0.51 -0.08 0.00 -1.56 0.00 0.00 34.95 33.80 2ply s ARG 623 CO 0.17 -0.13 1.30 1.03 -0.81 0.00 0.00 175.30 176.86 2ply s ARG 624 N 2.41 3.72 -0.27 5.12 1.81 -1.26 -1.97 118.95 128.51 2ply s ARG 624 Ca -0.04 2.11 -0.01 0.00 -1.72 0.00 0.00 55.73 56.07 2ply s ARG 624 Cb -0.07 -2.56 0.15 0.00 -0.45 0.00 0.00 34.95 32.01 2ply s ARG 624 CO -0.18 -0.69 0.40 0.08 -0.68 0.00 0.00 175.30 174.24 2ply s VAL 625 N -1.33 -0.64 0.00 3.52 1.01 -0.71 -4.84 120.40 117.42 2ply s VAL 625 Ca 0.62 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2ply s VAL 625 Cb -0.37 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.12 2ply s VAL 625 CO 0.46 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.99 2ply n GLY 626 N 5.36 2.65 2.31 4.51 0.00 -1.26 -2.69 105.19 116.08 2ply n GLY 626 Ca -0.02 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 2ply n GLY 626 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ply n ASP 627 N 0.35 7.31 -2.93 1.61 3.85 -1.26 -4.90 116.55 120.57 2ply n ASP 627 Ca 0.00 -3.79 -0.16 0.00 -0.71 0.00 0.00 54.79 50.13 2ply n ASP 627 Cb 0.00 -0.89 -0.06 0.00 -1.35 0.00 0.00 41.12 38.82 2ply n ASP 627 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2ply n LYS 628 N -0.87 0.45 -4.19 0.11 5.02 -1.10 -4.82 118.16 112.76 2ply n LYS 628 Ca 0.60 -2.83 -0.18 0.00 -2.02 0.00 0.00 58.31 53.88 2ply n LYS 628 Cb 0.69 2.44 -0.12 0.00 -0.02 0.00 0.00 35.03 38.02 2ply n LYS 628 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2ply s ARG 629 N -3.06 0.88 0.41 1.97 0.52 0.11 -1.75 118.95 118.04 2ply s ARG 629 Ca 0.33 -1.07 0.07 0.00 -0.52 0.00 0.00 55.73 54.54 2ply s ARG 629 Cb 0.01 -0.81 -0.06 0.00 0.52 0.00 0.00 34.95 34.61 2ply s ARG 629 CO 0.23 0.17 0.13 0.14 0.02 0.00 0.00 175.30 175.99 2ply s VAL 630 N -1.69 2.24 -0.32 3.52 -7.23 -0.83 -0.49 120.40 115.60 2ply s VAL 630 Ca 0.02 -1.78 -0.11 0.00 -1.81 0.00 0.00 61.98 58.29 2ply s VAL 630 Cb -0.07 -2.99 -0.02 0.00 0.56 0.00 0.00 36.38 33.85 2ply s VAL 630 CO 0.02 -0.01 0.20 -0.69 -0.31 0.00 0.00 175.10 174.31 2ply s VAL 631 N -2.62 5.05 0.10 1.32 1.01 -1.26 -1.44 120.40 122.55 2ply s VAL 631 Ca 0.39 -0.20 -0.15 0.00 0.00 0.00 0.00 61.98 62.01 2ply s VAL 631 Cb 0.05 -3.55 -0.08 0.00 0.00 0.00 0.00 36.38 32.80 2ply s VAL 631 CO 0.21 0.07 1.43 -0.37 0.00 0.00 0.00 175.10 176.45 2ply h VAL 632 N 5.52 1.30 0.00 2.92 -1.51 -1.52 -3.48 116.25 119.47 2ply h VAL 632 Ca -0.32 -1.38 0.00 0.00 -1.23 0.00 0.00 66.70 63.77 2ply h VAL 632 Cb 1.16 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.87 2ply h VAL 632 CO 0.61 0.44 0.00 0.61 -1.23 0.00 0.00 177.57 178.00