#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u2j h ILE 433 N 0.00 1.40 -3.11 1.96 2.10 -2.03 -3.41 117.51 114.42 1u2j h ILE 433 Ca 0.00 -2.30 -0.47 0.00 1.08 0.00 0.00 64.86 63.17 1u2j h ILE 433 Cb 0.00 2.26 -0.41 0.00 -1.09 0.00 0.00 36.82 37.58 1u2j h ILE 433 CO 0.00 0.69 -0.75 0.86 -1.08 0.00 0.00 178.15 177.86 1u2j s TRP 434 N -3.45 0.37 -0.04 2.19 -0.11 -1.26 -5.12 118.94 111.52 1u2j s TRP 434 Ca -0.05 -0.41 0.05 0.00 1.22 0.00 0.00 56.10 56.91 1u2j s TRP 434 Cb 0.10 -0.76 -0.02 0.00 -1.50 0.00 0.00 33.47 31.29 1u2j s TRP 434 CO 0.85 -0.52 -0.19 -1.14 -4.62 0.00 0.00 176.95 171.33 1u2j s GLN 435 N 2.08 2.36 -0.01 5.86 2.00 -1.26 -4.96 119.66 125.73 1u2j s GLN 435 Ca 0.01 -0.79 -0.28 0.00 -2.00 0.00 0.00 55.36 52.31 1u2j s GLN 435 Cb -0.16 -2.25 -0.03 0.00 0.80 0.00 0.00 33.01 31.37 1u2j s GLN 435 CO -0.09 0.59 0.89 -0.51 -0.50 0.00 0.00 175.29 175.68 1u2j s ASP 436 N -0.66 7.26 0.42 6.67 1.01 -1.26 -5.04 116.67 125.06 1u2j s ASP 436 Ca 0.10 1.52 -0.22 0.00 0.71 0.00 0.00 52.55 54.67 1u2j s ASP 436 Cb -0.10 -2.52 -0.11 0.00 1.01 0.00 0.00 42.92 41.20 1u2j s ASP 436 CO 0.00 -0.20 0.96 -2.16 0.21 0.00 0.00 175.17 173.97 1u2j s PRO 437 N 0.88 4.25 -0.01 8.23 0.04 -1.26 -5.07 135.00 142.06 1u2j s PRO 437 Ca 0.47 1.17 0.03 0.00 0.04 0.00 0.00 61.00 62.71 1u2j s PRO 437 Cb -0.20 -2.26 -0.00 0.00 0.04 0.00 0.00 34.50 32.07 1u2j s PRO 437 CO 0.25 -0.01 -0.09 -0.51 0.04 0.00 0.00 177.00 176.67 1u2j s LEU 438 N -3.04 1.94 0.82 -3.56 1.43 -1.26 -4.83 118.68 110.17 1u2j s LEU 438 Ca 0.61 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.41 1u2j s LEU 438 Cb -0.11 -0.51 0.08 0.00 0.03 0.00 0.00 46.19 45.68 1u2j s LEU 438 CO 0.15 0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.76 1u2j s PRO 439 N -0.09 1.93 0.30 1.29 0.04 -1.26 -5.01 135.00 132.20 1u2j s PRO 439 Ca 0.01 0.74 -0.29 0.00 0.04 0.00 0.00 61.00 61.51 1u2j s PRO 439 Cb -0.05 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 1u2j s PRO 439 CO -0.00 -1.76 1.11 -1.14 0.04 0.00 0.00 177.00 175.25 1u2j s GLN 440 N -5.07 4.54 0.71 4.56 2.00 -1.26 -4.91 119.66 120.23 1u2j s GLN 440 Ca 0.61 1.79 -0.17 0.00 -2.00 0.00 0.00 55.36 55.60 1u2j s GLN 440 Cb -0.15 -3.08 -0.12 0.00 0.80 0.00 0.00 33.01 30.45 1u2j s GLN 440 CO 0.55 0.13 -0.18 -0.35 -0.50 0.00 0.00 175.29 174.93 1u2j n PRO 441 N 0.97 0.06 0.00 1.67 -0.04 -1.26 -4.94 135.00 131.46 1u2j n PRO 441 Ca -0.00 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1u2j n PRO 441 Cb 0.45 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1u2j n PRO 441 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1u2j n ILE 442 N -2.04 0.00 -4.26 0.52 2.08 -1.26 -5.08 119.36 109.32 1u2j n ILE 442 Ca 0.05 -0.01 -0.23 0.00 0.56 0.00 0.00 62.75 63.12 1u2j n ILE 442 Cb 0.51 0.17 -0.07 0.00 -0.75 0.00 0.00 39.64 39.49 1u2j n ILE 442 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1u2j s TYR 443 N -0.44 2.67 -0.38 1.39 1.51 -1.26 -5.08 117.35 115.76 1u2j s TYR 443 Ca 0.00 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 1u2j s TYR 443 Cb 0.00 -1.32 0.16 0.00 -0.11 0.00 0.00 41.96 40.68 1u2j s TYR 443 CO 0.00 0.55 0.32 -0.80 -1.11 0.00 0.00 175.55 174.51 1u2j s ASN 444 N -3.71 1.76 0.07 2.29 -0.87 -1.25 -4.99 114.94 108.24 1u2j s ASN 444 Ca 0.33 -2.20 -0.31 0.00 -1.57 0.00 0.00 52.86 49.12 1u2j s ASN 444 Cb -0.05 0.02 -0.08 0.00 -0.02 0.00 0.00 41.25 41.12 1u2j s ASN 444 CO 0.20 -0.24 1.68 -2.84 -2.57 0.00 0.00 177.10 173.33 1u2j s PRO 445 N 0.91 4.19 0.68 -0.60 0.02 -1.20 -5.01 135.00 133.99 1u2j s PRO 445 Ca 0.22 2.36 -0.11 0.00 0.02 0.00 0.00 61.00 63.49 1u2j s PRO 445 Cb -0.13 -3.64 -0.00 0.00 0.02 0.00 0.00 34.50 30.75 1u2j s PRO 445 CO -0.06 -0.76 1.07 0.95 -0.33 0.00 0.00 177.00 177.87 1u2j s THR 446 N 2.80 3.98 0.59 0.99 -4.23 -1.26 -4.88 115.64 113.64 1u2j s THR 446 Ca 0.75 0.64 0.29 0.00 -1.18 0.00 0.00 61.69 62.20 1u2j s THR 446 Cb -0.40 -3.60 0.41 0.00 1.34 0.00 0.00 72.50 70.25 1u2j s THR 446 CO 0.33 -0.84 1.70 -0.33 -0.54 0.00 0.00 174.62 174.94 1u2j h GLU 447 N -0.56 0.00 0.00 3.99 3.07 -2.00 0.43 114.58 119.51 1u2j h GLU 447 Ca -0.45 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.40 1u2j h GLU 447 Cb 1.23 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1u2j h GLU 447 CO 0.62 0.00 -1.90 1.04 -1.40 0.00 0.00 179.01 177.38 1u2j n GLN 448 N -3.60 0.65 -0.16 2.33 1.13 -1.26 -2.87 117.38 113.60 1u2j n GLN 448 Ca 0.15 -0.15 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 1u2j n GLN 448 Cb 1.01 -1.56 0.00 0.00 0.11 0.00 0.00 30.24 29.81 1u2j n GLN 448 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1u2j h ASP 449 N 0.00 0.67 -0.83 1.08 3.45 -1.31 -2.55 116.42 116.93 1u2j h ASP 449 Ca -0.02 -0.20 -0.01 0.00 0.43 0.00 0.00 57.03 57.23 1u2j h ASP 449 Cb 1.05 -0.18 -0.04 0.00 -0.56 0.00 0.00 39.33 39.60 1u2j h ASP 449 CO 0.00 0.69 0.47 0.40 -1.57 0.00 0.00 179.24 179.24 1u2j h ILE 450 N 0.62 1.24 0.16 0.35 1.08 -1.33 -1.23 117.51 118.40 1u2j h ILE 450 Ca 0.15 -0.56 -0.31 0.00 -0.39 0.00 0.00 64.86 63.75 1u2j h ILE 450 Cb 0.26 0.09 0.03 0.00 -3.07 0.00 0.00 36.82 34.13 1u2j h ILE 450 CO -0.01 0.26 -1.32 0.40 -0.69 0.00 0.00 178.15 176.79 1u2j h ILE 451 N 1.16 1.29 -0.63 -0.67 2.04 -1.51 -0.73 117.51 118.46 1u2j h ILE 451 Ca 0.30 -2.55 -0.02 0.00 1.00 0.00 0.00 64.86 63.58 1u2j h ILE 451 Cb -0.00 2.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.85 1u2j h ILE 451 CO -0.05 0.77 0.32 0.44 0.00 0.00 0.00 178.15 179.63 1u2j h ASP 452 N 0.23 0.81 -0.44 1.72 3.32 -1.38 -1.98 116.42 118.71 1u2j h ASP 452 Ca -0.21 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 56.74 1u2j h ASP 452 Cb 2.00 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 41.31 1u2j h ASP 452 CO 0.25 0.70 0.27 -0.07 -1.72 0.00 0.00 179.24 178.67 1u2j h LEU 453 N 0.87 0.44 -1.76 1.55 3.38 -1.06 0.32 115.31 119.05 1u2j h LEU 453 Ca 0.22 -0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.37 1u2j h LEU 453 Cb 0.09 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1u2j h LEU 453 CO -0.03 0.32 0.52 0.11 0.09 0.00 0.00 178.44 179.45 1u2j h LYS 454 N 0.54 0.22 0.12 1.13 1.57 -0.93 0.31 116.57 119.53 1u2j h LYS 454 Ca 0.17 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.72 1u2j h LYS 454 Cb -0.01 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.28 1u2j h LYS 454 CO -0.07 0.14 -0.94 0.35 -0.57 0.00 0.00 179.45 178.36 1u2j h PHE 455 N 0.22 0.71 -0.40 -1.35 3.57 -0.14 -0.90 116.94 118.66 1u2j h PHE 455 Ca 0.37 -0.48 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 1u2j h PHE 455 Cb 1.14 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 1u2j h PHE 455 CO -0.00 1.34 0.23 0.00 -2.23 0.00 0.00 178.31 177.65 1u2j h ALA 456 N 0.18 0.51 -0.55 2.41 0.00 0.59 0.39 119.26 122.78 1u2j h ALA 456 Ca -0.15 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1u2j h ALA 456 Cb 1.70 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 1u2j h ALA 456 CO 0.18 0.02 0.34 0.82 0.00 0.00 0.00 179.25 180.61 1u2j h ILE 457 N 0.52 1.08 0.00 0.00 2.04 -0.53 -2.66 117.51 117.96 1u2j h ILE 457 Ca 0.14 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 1u2j h ILE 457 Cb 0.03 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1u2j h ILE 457 CO -0.02 0.12 -0.27 0.00 0.00 0.00 0.00 178.15 177.98 1u2j h ALA 458 N 1.23 1.38 -0.34 1.87 0.00 -0.65 -2.51 119.26 120.24 1u2j h ALA 458 Ca 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1u2j h ALA 458 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1u2j h ALA 458 CO -0.08 0.34 0.00 -3.47 0.00 0.00 0.00 179.25 176.04 1u2j n ASP 459 N -3.96 2.17 0.01 0.00 2.03 0.13 -4.59 116.55 112.34 1u2j n ASP 459 Ca -0.02 -2.09 0.12 0.00 0.52 0.00 0.00 54.79 53.31 1u2j n ASP 459 Cb 0.34 -0.31 0.14 0.00 -0.72 0.00 0.00 41.12 40.57 1u2j n ASP 459 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1u2j n SER 460 N 0.48 0.62 0.00 1.67 3.41 -0.95 -4.95 113.62 113.90 1u2j n SER 460 Ca 0.12 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1u2j n SER 460 Cb 0.38 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 1u2j n SER 460 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u2j n GLY 461 N 1.45 0.93 3.74 5.00 0.00 -1.26 -5.04 105.19 110.00 1u2j n GLY 461 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1u2j n GLY 461 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u2j s LEU 462 N 0.00 4.52 0.65 0.99 1.43 -1.26 -5.04 118.68 119.97 1u2j s LEU 462 Ca 0.00 1.96 -0.12 0.00 -1.03 0.00 0.00 54.13 54.94 1u2j s LEU 462 Cb 0.00 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 1u2j s LEU 462 CO 0.00 -0.11 1.05 -0.94 0.23 0.00 0.00 176.35 176.58 1u2j s SER 463 N -0.24 5.65 0.13 2.29 1.04 -1.26 -4.84 113.70 116.47 1u2j s SER 463 Ca 0.47 1.62 -0.18 0.00 0.48 0.00 0.00 55.95 58.34 1u2j s SER 463 Cb -0.27 -2.50 0.04 0.00 0.10 0.00 0.00 66.02 63.39 1u2j s SER 463 CO 0.33 -1.26 1.10 0.52 0.98 0.00 0.00 173.24 174.90 1u2j n VAL 464 N -2.78 -0.44 0.26 5.02 0.31 -1.26 -0.82 118.33 118.62 1u2j n VAL 464 Ca 0.07 1.70 0.11 0.00 -0.01 0.00 0.00 64.34 66.21 1u2j n VAL 464 Cb 0.53 -2.15 0.72 0.00 -0.91 0.00 0.00 33.84 32.03 1u2j n VAL 464 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1u2j h SER 465 N 0.00 0.00 0.64 4.52 0.87 -1.88 0.46 113.55 118.16 1u2j h SER 465 Ca 0.17 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.45 1u2j h SER 465 Cb 0.34 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 1u2j h SER 465 CO -0.68 0.08 -1.31 -0.33 -0.53 0.00 0.00 176.83 174.06 1u2j h GLU 466 N 0.00 0.20 -0.06 2.24 5.08 -1.31 -2.28 114.58 118.44 1u2j h GLU 466 Ca -0.00 -0.34 -0.12 0.00 -1.00 0.00 0.00 59.36 57.90 1u2j h GLU 466 Cb 0.19 0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1u2j h GLU 466 CO 0.01 1.10 -0.42 -0.07 -1.00 0.00 0.00 179.01 178.63 1u2j h LEU 467 N 0.05 0.47 -0.51 1.33 3.38 -0.13 -2.47 115.31 117.44 1u2j h LEU 467 Ca -0.15 -0.68 -0.06 0.00 0.09 0.00 0.00 57.88 57.08 1u2j h LEU 467 Cb 1.95 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 1u2j h LEU 467 CO 0.17 1.08 0.10 0.58 0.09 0.00 0.00 178.44 180.46 1u2j h VAL 468 N -0.10 1.25 -0.46 1.22 2.07 -1.06 -2.65 116.25 116.52 1u2j h VAL 468 Ca -0.04 -0.91 0.02 0.00 0.82 0.00 0.00 66.70 66.59 1u2j h VAL 468 Cb 1.09 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1u2j h VAL 468 CO 0.09 0.33 0.28 0.28 0.02 0.00 0.00 177.57 178.56 1u2j h SER 469 N 0.71 0.46 -0.53 0.57 0.02 -1.38 0.60 113.55 114.00 1u2j h SER 469 Ca 0.16 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.02 1u2j h SER 469 Cb 0.37 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1u2j h SER 469 CO 0.01 0.33 0.03 0.58 -1.14 0.00 0.00 176.83 176.64 1u2j h VAL 470 N 0.56 1.26 -0.12 2.27 2.07 -1.41 0.28 116.25 121.16 1u2j h VAL 470 Ca 0.18 -1.06 -0.19 0.00 0.82 0.00 0.00 66.70 66.45 1u2j h VAL 470 Cb -0.01 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1u2j h VAL 470 CO -0.07 0.38 -0.65 0.00 0.02 0.00 0.00 177.57 177.25 1u2j h ALA 471 N 1.13 0.25 -0.49 1.67 0.00 -1.18 -1.34 119.26 119.30 1u2j h ALA 471 Ca 0.17 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1u2j h ALA 471 Cb 0.48 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1u2j h ALA 471 CO 0.02 0.54 0.32 2.35 0.00 0.00 0.00 179.25 182.47 1u2j h TRP 472 N 0.33 0.60 -0.71 0.00 2.91 -0.79 -1.96 115.95 116.32 1u2j h TRP 472 Ca -0.05 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.02 1u2j h TRP 472 Cb 1.29 -0.20 -0.04 0.00 -0.51 0.00 0.00 29.16 29.70 1u2j h TRP 472 CO 0.10 0.37 0.47 0.00 -1.03 0.00 0.00 178.44 178.35 1u2j h ALA 473 N 1.19 1.60 -0.09 2.65 0.00 -0.26 -1.59 119.26 122.76 1u2j h ALA 473 Ca 0.18 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 1u2j h ALA 473 Cb -0.06 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.51 1u2j h ALA 473 CO -0.05 0.32 -0.74 1.03 0.00 0.00 0.00 179.25 179.81 1u2j h SER 474 N 0.85 0.81 1.14 0.00 0.87 -0.88 -3.35 113.55 112.99 1u2j h SER 474 Ca 0.29 -0.67 -0.13 0.00 -1.23 0.00 0.00 61.79 60.05 1u2j h SER 474 Cb 0.08 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 1u2j h SER 474 CO -0.08 1.36 -0.60 0.00 -0.53 0.00 0.00 176.83 176.98 1u2j h ALA 475 N 0.47 0.70 -0.01 6.23 0.00 -0.88 -3.16 119.26 122.62 1u2j h ALA 475 Ca -0.07 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1u2j h ALA 475 Cb 1.39 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1u2j h ALA 475 CO 0.15 0.75 -0.04 -1.13 0.00 0.00 0.00 179.25 178.98 1u2j n SER 476 N -3.38 0.93 0.00 0.00 3.41 -0.64 -3.07 113.62 110.87 1u2j n SER 476 Ca 0.01 -1.19 0.14 0.00 -0.26 0.00 0.00 58.87 57.56 1u2j n SER 476 Cb 0.72 -0.00 0.84 0.00 -0.26 0.00 0.00 64.21 65.50 1u2j n SER 476 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1u2j n THR 477 N -0.35 0.00 -2.16 6.66 -2.24 -1.26 -4.89 114.28 110.05 1u2j n THR 477 Ca 0.19 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.55 1u2j n THR 477 Cb 0.28 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 1u2j n THR 477 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1u2j s PHE 478 N -2.00 3.24 -0.23 4.78 5.36 -1.17 -4.11 117.98 123.84 1u2j s PHE 478 Ca 0.42 0.94 -0.07 0.00 -0.96 0.00 0.00 56.93 57.25 1u2j s PHE 478 Cb 0.19 -3.70 -0.03 0.00 -0.34 0.00 0.00 43.02 39.15 1u2j s PHE 478 CO 0.33 -2.44 0.07 1.03 -1.46 0.00 0.00 175.22 172.75 1u2j s ARG 479 N 1.10 3.73 0.36 10.12 1.81 -0.37 -3.97 118.95 131.73 1u2j s ARG 479 Ca 0.65 -0.45 -0.27 0.00 -1.72 0.00 0.00 55.73 53.94 1u2j s ARG 479 Cb -0.37 -3.30 -0.09 0.00 -0.45 0.00 0.00 34.95 30.73 1u2j s ARG 479 CO 0.30 -0.08 1.24 0.20 -0.68 0.00 0.00 175.30 176.28 1u2j s GLY 480 N 1.34 2.96 0.00 -3.53 0.00 0.14 -2.69 107.32 105.54 1u2j s GLY 480 Ca 0.05 1.13 0.00 0.00 0.00 0.00 0.00 44.72 45.90 1u2j s GLY 480 CO 0.04 1.73 0.00 0.61 0.00 0.00 0.00 173.10 175.47 1u2j n GLY 481 N 0.79 2.01 0.21 0.20 0.00 -1.26 -4.37 105.19 102.77 1u2j n GLY 481 Ca 0.02 -0.38 0.07 0.00 0.00 0.00 0.00 46.02 45.72 1u2j n GLY 481 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1u2j h ASP 482 N 0.00 0.00 -5.68 1.61 3.32 -2.01 -3.46 116.42 110.20 1u2j h ASP 482 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1u2j h ASP 482 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1u2j h ASP 482 CO 0.00 0.00 -0.05 0.29 -1.72 0.00 0.00 179.24 177.76 1u2j n LYS 483 N -2.22 -1.00 -3.03 3.56 5.02 -1.10 -4.84 118.16 114.56 1u2j n LYS 483 Ca -0.01 -0.12 -0.18 0.00 -2.02 0.00 0.00 58.31 55.98 1u2j n LYS 483 Cb 0.44 0.07 0.03 0.00 -0.02 0.00 0.00 35.03 35.55 1u2j n LYS 483 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1u2j s ARG 484 N -3.69 2.62 0.25 1.97 0.52 -1.25 -4.96 118.95 114.41 1u2j s ARG 484 Ca 0.01 -1.41 0.00 0.00 -0.52 0.00 0.00 55.73 53.81 1u2j s ARG 484 Cb -0.00 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.76 1u2j s ARG 484 CO 0.05 -0.50 0.00 0.41 0.02 0.00 0.00 175.30 175.27 1u2j n GLY 485 N -2.00 -2.15 0.00 -3.53 0.00 -1.26 -1.23 105.19 95.01 1u2j n GLY 485 Ca 0.11 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1u2j n GLY 485 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u2j n GLY 486 N -1.31 0.86 0.15 -0.02 0.00 -1.26 -4.62 105.19 98.99 1u2j n GLY 486 Ca 0.00 -2.23 0.05 0.00 0.00 0.00 0.00 46.02 43.85 1u2j n GLY 486 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2j h ALA 487 N 0.00 0.74 -2.74 4.61 0.00 -1.72 -3.42 119.26 116.73 1u2j h ALA 487 Ca 0.00 -0.35 -0.52 0.00 0.00 0.00 0.00 54.91 54.04 1u2j h ALA 487 Cb 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 17.79 17.83 1u2j h ALA 487 CO 0.00 0.44 0.66 1.21 0.00 0.00 0.00 179.25 181.56 1u2j s ASN 488 N -6.19 6.85 0.00 0.00 3.84 -1.26 -2.41 114.94 115.76 1u2j s ASN 488 Ca 0.03 2.50 0.00 0.00 0.21 0.00 0.00 52.86 55.61 1u2j s ASN 488 Cb 0.07 -2.62 0.00 0.00 -0.55 0.00 0.00 41.25 38.15 1u2j s ASN 488 CO 0.74 -0.54 0.00 0.61 -2.79 0.00 0.00 177.10 175.12 1u2j n GLY 489 N 1.95 1.33 3.90 1.21 0.00 -0.11 -4.56 105.19 108.91 1u2j n GLY 489 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1u2j n GLY 489 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2j n ALA 490 N -1.38 -1.89 1.44 4.61 0.00 -1.01 -0.71 120.51 121.56 1u2j n ALA 490 Ca 0.00 -0.36 0.14 0.00 0.00 0.00 0.00 53.44 53.22 1u2j n ALA 490 Cb 0.00 -1.01 0.74 0.00 0.00 0.00 0.00 19.45 19.18 1u2j n ALA 490 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u2j n ARG 491 N -3.77 0.53 0.01 0.00 1.74 -1.26 -2.31 116.66 111.59 1u2j n ARG 491 Ca -0.19 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 1u2j n ARG 491 Cb 0.48 -1.50 0.31 0.00 -1.02 0.00 0.00 32.46 30.73 1u2j n ARG 491 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1u2j h LEU 492 N 0.00 0.48 0.00 0.55 5.85 -1.91 -0.40 115.31 119.88 1u2j h LEU 492 Ca 0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1u2j h LEU 492 Cb 0.19 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1u2j h LEU 492 CO 0.00 0.54 0.00 0.00 -0.34 0.00 0.00 178.44 178.64 1u2j n ALA 493 N -2.48 1.92 -2.29 1.25 0.00 -0.98 -2.57 120.51 115.37 1u2j n ALA 493 Ca 0.01 -0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.16 1u2j n ALA 493 Cb 0.24 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 1u2j n ALA 493 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1u2j s LEU 494 N -2.78 3.35 0.47 0.00 1.43 -0.16 -4.81 118.68 116.18 1u2j s LEU 494 Ca 0.13 -0.80 -0.16 0.00 -1.03 0.00 0.00 54.13 52.27 1u2j s LEU 494 Cb 0.12 -1.94 -0.08 0.00 0.03 0.00 0.00 46.19 44.32 1u2j s LEU 494 CO 0.31 -0.60 0.93 -0.04 0.23 0.00 0.00 176.35 177.17 1u2j s MET 495 N -4.07 3.98 0.28 1.70 -1.94 -1.26 -0.17 119.30 117.81 1u2j s MET 495 Ca 0.46 0.89 0.26 0.00 -1.71 0.00 0.00 55.69 55.59 1u2j s MET 495 Cb -0.02 -2.20 0.82 0.00 2.01 0.00 0.00 34.83 35.44 1u2j s MET 495 CO 0.27 -0.16 1.75 -1.00 -0.01 0.00 0.00 175.02 175.87 1u2j h PRO 496 N 1.25 0.00 -0.30 2.03 0.13 -1.87 -3.46 132.00 129.77 1u2j h PRO 496 Ca -0.47 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1u2j h PRO 496 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1u2j h PRO 496 CO 0.62 0.00 0.20 1.96 -0.23 0.00 0.00 178.00 180.55 1u2j h GLN 497 N 0.00 0.39 -0.32 0.86 4.20 -1.57 -1.54 115.11 117.14 1u2j h GLN 497 Ca 0.00 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.78 1u2j h GLN 497 Cb 0.68 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1u2j h GLN 497 CO 0.00 0.25 0.41 -0.09 -0.67 0.00 0.00 178.83 178.74 1u2j h ARG 498 N 0.40 0.00 -0.01 1.46 2.43 -0.29 -2.33 114.38 116.05 1u2j h ARG 498 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1u2j h ARG 498 Cb -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1u2j h ARG 498 CO -0.02 0.00 -0.55 -0.25 -1.51 0.00 0.00 179.97 177.64 1u2j n ASP 499 N -3.55 1.26 -4.72 -3.80 8.00 -0.58 -4.84 116.55 108.32 1u2j n ASP 499 Ca 0.05 -1.13 -0.42 0.00 0.71 0.00 0.00 54.79 54.00 1u2j n ASP 499 Cb 0.56 0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 42.35 1u2j n ASP 499 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1u2j s TRP 500 N -2.24 2.86 0.25 1.24 0.51 -0.88 -4.91 118.94 115.77 1u2j s TRP 500 Ca 0.10 0.38 -0.11 0.00 -2.12 0.00 0.00 56.10 54.35 1u2j s TRP 500 Cb 0.13 -4.08 0.35 0.00 -0.81 0.00 0.00 33.47 29.06 1u2j s TRP 500 CO 0.54 -4.11 1.48 -0.25 -0.51 0.00 0.00 176.95 174.10 1u2j n ASP 501 N 4.20 -0.46 0.10 2.95 10.43 -1.26 -0.38 116.55 132.13 1u2j n ASP 501 Ca 0.16 1.65 0.20 0.00 2.57 0.00 0.00 54.79 59.36 1u2j n ASP 501 Cb 0.37 -0.45 0.76 0.00 1.84 0.00 0.00 41.12 43.63 1u2j n ASP 501 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 1u2j h VAL 502 N 0.00 0.42 -0.02 2.53 2.07 -1.93 -2.18 116.25 117.13 1u2j h VAL 502 Ca 0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.92 1u2j h VAL 502 Cb 0.64 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1u2j h VAL 502 CO -0.97 0.00 -0.33 0.59 0.02 0.00 0.00 177.57 176.88 1u2j n ASN 503 N -3.78 2.31 -0.35 0.57 3.02 0.48 -4.68 115.26 112.83 1u2j n ASN 503 Ca 0.07 -1.65 0.15 0.00 -0.03 0.00 0.00 54.58 53.11 1u2j n ASN 503 Cb 0.57 0.33 0.35 0.00 -0.61 0.00 0.00 39.78 40.42 1u2j n ASN 503 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u2j h ALA 504 N 4.13 1.71 0.14 5.41 0.00 -1.14 -1.93 119.26 127.58 1u2j h ALA 504 Ca 0.00 0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 1u2j h ALA 504 Cb 0.83 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1u2j h ALA 504 CO 0.00 -0.16 -1.13 0.00 0.00 0.00 0.00 179.25 177.96 1u2j h ALA 505 N 1.69 0.02 -0.85 0.00 0.00 -1.84 -3.33 119.26 114.95 1u2j h ALA 505 Ca 0.61 -0.88 0.11 0.00 0.00 0.00 0.00 54.91 54.75 1u2j h ALA 505 Cb 1.05 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 1u2j h ALA 505 CO -0.43 0.60 0.47 0.00 0.00 0.00 0.00 179.25 179.89 1u2j h ALA 506 N 0.03 1.23 -0.06 0.00 0.00 -1.71 -2.56 119.26 116.20 1u2j h ALA 506 Ca -0.22 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1u2j h ALA 506 Cb 1.74 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1u2j h ALA 506 CO 0.12 0.05 -0.18 0.28 0.00 0.00 0.00 179.25 179.52 1u2j h VAL 507 N 0.75 1.16 -0.06 0.00 2.07 -1.52 -2.04 116.25 116.61 1u2j h VAL 507 Ca 0.43 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 67.21 1u2j h VAL 507 Cb 0.46 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1u2j h VAL 507 CO -0.28 0.22 0.50 0.03 0.02 0.00 0.00 177.57 178.06 1u2j h ARG 508 N 0.08 0.00 0.00 1.57 3.08 -1.56 0.35 114.38 117.90 1u2j h ARG 508 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1u2j h ARG 508 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1u2j h ARG 508 CO 0.03 0.00 -0.45 0.00 -1.07 0.00 0.00 179.97 178.48 1u2j h ALA 509 N 1.06 0.76 -0.44 0.04 0.00 -1.51 -3.40 119.26 115.77 1u2j h ALA 509 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1u2j h ALA 509 Cb 1.03 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1u2j h ALA 509 CO -0.00 0.00 0.21 -0.07 0.00 0.00 0.00 179.25 179.39 1u2j h LEU 510 N 0.00 0.31 -0.77 0.00 3.38 -1.08 -2.94 115.31 114.21 1u2j h LEU 510 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1u2j h LEU 510 Cb 0.93 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 1u2j h LEU 510 CO 0.00 0.22 0.50 -0.65 0.09 0.00 0.00 178.44 178.60 1u2j h PRO 511 N 0.43 1.02 -0.17 1.13 0.11 -1.77 0.44 132.00 133.19 1u2j h PRO 511 Ca 0.19 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 1u2j h PRO 511 Cb 0.10 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 1u2j h PRO 511 CO -0.14 0.69 -0.14 0.28 -0.21 0.00 0.00 178.00 178.48 1u2j h VAL 512 N 1.04 1.20 0.21 3.15 2.07 -1.83 -0.38 116.25 121.71 1u2j h VAL 512 Ca 0.28 -0.87 -0.32 0.00 0.82 0.00 0.00 66.70 66.61 1u2j h VAL 512 Cb -0.10 1.22 0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1u2j h VAL 512 CO -0.06 0.27 -1.39 -0.07 0.02 0.00 0.00 177.57 176.34 1u2j h LEU 513 N 0.27 0.81 -0.21 2.57 3.38 -0.89 -1.14 115.31 120.09 1u2j h LEU 513 Ca 0.05 -0.83 0.05 0.00 0.09 0.00 0.00 57.88 57.24 1u2j h LEU 513 Cb 0.42 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1u2j h LEU 513 CO 0.03 1.64 -0.16 -0.33 0.09 0.00 0.00 178.44 179.71 1u2j h GLU 514 N 0.18 -0.15 -0.44 1.13 5.08 -0.16 0.27 114.58 120.49 1u2j h GLU 514 Ca -0.23 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1u2j h GLU 514 Cb 2.08 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 31.27 1u2j h GLU 514 CO 0.26 -0.10 -0.20 -0.22 -1.00 0.00 0.00 179.01 177.75 1u2j h LYS 515 N -0.15 -0.10 -0.45 2.33 3.64 -1.03 -0.26 116.57 120.54 1u2j h LYS 515 Ca 0.12 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.41 1u2j h LYS 515 Cb 0.34 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1u2j h LYS 515 CO -0.31 -0.07 -0.15 0.82 -2.27 0.00 0.00 179.45 177.48 1u2j h ILE 516 N -0.11 1.26 -0.12 2.00 2.04 -0.61 -2.18 117.51 119.80 1u2j h ILE 516 Ca 0.21 -1.25 -0.12 0.00 1.00 0.00 0.00 64.86 64.70 1u2j h ILE 516 Cb 0.44 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1u2j h ILE 516 CO -0.51 0.43 -0.47 0.06 0.00 0.00 0.00 178.15 177.65 1u2j h GLN 517 N 0.75 0.29 -0.01 2.37 -0.00 -0.05 -1.95 115.11 116.52 1u2j h GLN 517 Ca 0.12 -0.16 -0.21 0.00 -0.00 0.00 0.00 58.65 58.40 1u2j h GLN 517 Cb 0.66 0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 28.14 1u2j h GLN 517 CO 0.05 0.71 -0.88 0.87 -0.00 0.00 0.00 178.83 179.57 1u2j h LYS 518 N 0.23 0.30 0.00 0.06 1.57 -0.83 -1.30 116.57 116.60 1u2j h LYS 518 Ca 0.01 -0.31 -0.15 0.00 -1.87 0.00 0.00 60.65 58.33 1u2j h LYS 518 Cb 0.93 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 1u2j h LYS 518 CO 0.08 1.01 -0.73 0.93 -0.57 0.00 0.00 179.45 180.17 1u2j h GLU 519 N 0.17 0.00 0.03 3.15 5.08 -1.41 -3.34 114.58 118.26 1u2j h GLU 519 Ca -0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1u2j h GLU 519 Cb 1.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1u2j h GLU 519 CO 0.14 0.73 -0.01 1.03 -1.00 0.00 0.00 179.01 179.90 1u2j h SER 520 N 0.00 -0.03 -2.02 1.42 0.87 -1.36 -3.48 113.55 108.95 1u2j h SER 520 Ca -0.01 -0.46 -0.36 0.00 -1.23 0.00 0.00 61.79 59.74 1u2j h SER 520 Cb 1.43 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 63.34 1u2j h SER 520 CO 0.09 0.68 -0.42 0.61 -0.53 0.00 0.00 176.83 177.27 1u2j n GLY 521 N 1.54 0.28 0.00 5.77 0.00 -0.49 -4.88 105.19 107.41 1u2j n GLY 521 Ca -0.05 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 45.89 1u2j n GLY 521 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u2j n LYS 522 N -2.64 1.56 -3.70 1.61 4.76 -1.26 -5.01 118.16 113.47 1u2j n LYS 522 Ca -0.20 -0.05 -0.14 0.00 -2.87 0.00 0.00 58.31 55.05 1u2j n LYS 522 Cb 0.64 -1.24 -0.08 0.00 -1.84 0.00 0.00 35.03 32.51 1u2j n LYS 522 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u2j s ALA 523 N -2.61 -0.98 0.78 7.82 0.00 -1.26 -3.27 121.76 122.24 1u2j s ALA 523 Ca 0.01 0.48 -0.13 0.00 0.00 0.00 0.00 51.96 52.31 1u2j s ALA 523 Cb 0.10 0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.41 1u2j s ALA 523 CO 0.59 -0.32 1.18 -1.54 0.00 0.00 0.00 175.76 175.68 1u2j s SER 524 N -1.45 3.88 0.28 0.00 1.04 -1.26 -4.86 113.70 111.32 1u2j s SER 524 Ca -0.11 2.28 -0.02 0.00 0.48 0.00 0.00 55.95 58.57 1u2j s SER 524 Cb -0.03 -2.58 0.41 0.00 0.10 0.00 0.00 66.02 63.92 1u2j s SER 524 CO 0.04 -2.47 1.91 0.25 0.98 0.00 0.00 173.24 173.95 1u2j h LEU 525 N -0.77 1.03 -0.26 2.42 5.85 -1.93 -1.39 115.31 120.25 1u2j h LEU 525 Ca -0.46 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.31 1u2j h LEU 525 Cb 1.28 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 42.01 1u2j h LEU 525 CO 0.48 0.68 -0.37 0.00 -0.34 0.00 0.00 178.44 178.90 1u2j h ALA 526 N 1.45 -0.38 -0.20 1.25 0.00 -1.88 0.65 119.26 120.16 1u2j h ALA 526 Ca 0.40 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1u2j h ALA 526 Cb 0.07 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1u2j h ALA 526 CO -0.13 -0.82 0.04 -0.44 0.00 0.00 0.00 179.25 177.89 1u2j h ASP 527 N -0.37 0.25 1.70 0.00 5.19 -1.73 -2.70 116.42 118.77 1u2j h ASP 527 Ca 0.12 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.46 1u2j h ASP 527 Cb 0.57 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 1u2j h ASP 527 CO -0.46 0.28 -0.21 0.40 -3.12 0.00 0.00 179.24 176.13 1u2j h ILE 528 N 0.28 0.37 -0.11 0.35 2.04 -0.07 -0.68 117.51 119.70 1u2j h ILE 528 Ca 0.07 -1.47 -0.12 0.00 1.00 0.00 0.00 64.86 64.34 1u2j h ILE 528 Cb 0.14 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1u2j h ILE 528 CO -0.00 0.21 -0.39 0.40 0.00 0.00 0.00 178.15 178.36 1u2j h ILE 529 N 0.00 1.38 -0.50 -0.67 2.04 -0.59 -0.94 117.51 118.22 1u2j h ILE 529 Ca -0.00 -1.72 -0.12 0.00 1.00 0.00 0.00 64.86 64.02 1u2j h ILE 529 Cb 1.12 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 39.34 1u2j h ILE 529 CO 0.03 0.51 -0.14 0.58 0.00 0.00 0.00 178.15 179.12 1u2j h VAL 530 N 0.04 1.27 -0.42 1.67 2.07 -1.49 -2.39 116.25 117.00 1u2j h VAL 530 Ca -0.02 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.21 1u2j h VAL 530 Cb 1.02 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1u2j h VAL 530 CO 0.08 0.45 0.24 0.25 0.02 0.00 0.00 177.57 178.61 1u2j h LEU 531 N 0.86 0.49 -0.22 2.57 5.85 -1.06 -1.35 115.31 122.45 1u2j h LEU 531 Ca 0.13 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1u2j h LEU 531 Cb 0.70 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1u2j h LEU 531 CO 0.05 0.39 0.12 0.00 -0.34 0.00 0.00 178.44 178.67 1u2j h ALA 532 N 1.69 0.28 -0.42 1.25 0.00 -0.67 -0.75 119.26 120.64 1u2j h ALA 532 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1u2j h ALA 532 Cb -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1u2j h ALA 532 CO -0.03 -0.19 0.22 0.78 0.00 0.00 0.00 179.25 180.03 1u2j h GLY 533 N 0.26 0.61 1.16 0.00 0.00 -1.03 -1.68 103.07 102.39 1u2j h GLY 533 Ca 0.08 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 1u2j h GLY 533 CO -0.01 0.25 0.09 -2.08 0.00 0.00 0.00 176.54 174.79 1u2j h VAL 534 N 0.58 1.26 0.00 4.60 2.07 -0.29 -0.30 116.25 124.17 1u2j h VAL 534 Ca 0.15 -1.01 -0.11 0.00 0.82 0.00 0.00 66.70 66.55 1u2j h VAL 534 Cb 0.03 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1u2j h VAL 534 CO -0.02 0.38 -0.52 0.58 0.02 0.00 0.00 177.57 178.00 1u2j h VAL 535 N 0.96 1.12 -0.00 2.57 2.07 -0.50 -2.63 116.25 119.83 1u2j h VAL 535 Ca 0.19 -1.97 -0.16 0.00 0.82 0.00 0.00 66.70 65.58 1u2j h VAL 535 Cb 0.43 2.15 0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1u2j h VAL 535 CO 0.01 0.51 -0.62 1.23 0.02 0.00 0.00 177.57 178.73 1u2j h GLY 536 N 2.30 0.47 1.02 2.17 0.00 -0.60 -0.85 103.07 107.59 1u2j h GLY 536 Ca -0.01 -0.82 -0.03 0.00 0.00 0.00 0.00 47.33 46.47 1u2j h GLY 536 CO 0.07 0.73 0.34 -2.08 0.00 0.00 0.00 176.54 175.60 1u2j h VAL 537 N -0.08 1.24 0.08 4.60 2.07 -1.09 -1.26 116.25 121.82 1u2j h VAL 537 Ca -0.08 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1u2j h VAL 537 Cb 1.33 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1u2j h VAL 537 CO 0.12 0.30 -0.04 -0.33 0.02 0.00 0.00 177.57 177.64 1u2j h GLU 538 N 1.06 -0.10 -0.58 1.57 5.08 -1.45 0.83 114.58 120.97 1u2j h GLU 538 Ca 0.25 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.72 1u2j h GLU 538 Cb 0.14 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1u2j h GLU 538 CO -0.03 0.11 0.39 -0.22 -1.00 0.00 0.00 179.01 178.26 1u2j h LYS 539 N -0.30 0.38 0.05 2.33 3.64 -1.11 -1.66 116.57 119.90 1u2j h LYS 539 Ca -0.01 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.13 1u2j h LYS 539 Cb 0.26 -0.09 0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1u2j h LYS 539 CO 0.02 0.25 -0.88 0.00 -2.27 0.00 0.00 179.45 176.57 1u2j h ALA 540 N 1.70 0.03 -0.10 5.00 0.00 -0.54 -2.87 119.26 122.49 1u2j h ALA 540 Ca 0.27 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1u2j h ALA 540 Cb 0.53 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1u2j h ALA 540 CO -0.07 0.50 -0.01 0.00 0.00 0.00 0.00 179.25 179.66 1u2j h ALA 541 N 0.28 1.79 0.16 0.00 0.00 0.14 -1.63 119.26 120.01 1u2j h ALA 541 Ca -0.13 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.48 1u2j h ALA 541 Cb 1.59 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 19.35 1u2j h ALA 541 CO 0.17 0.16 -0.98 0.77 0.00 0.00 0.00 179.25 179.37 1u2j h SER 542 N 0.14 0.58 -0.21 0.00 0.02 -0.30 -0.59 113.55 113.20 1u2j h SER 542 Ca 0.04 -0.93 0.06 0.00 -0.84 0.00 0.00 61.79 60.12 1u2j h SER 542 Cb 0.12 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1u2j h SER 542 CO 0.00 1.47 0.16 0.00 -1.14 0.00 0.00 176.83 177.33 1u2j h ALA 543 N 0.12 2.13 -0.04 3.77 0.00 -1.41 0.42 119.26 124.24 1u2j h ALA 543 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1u2j h ALA 543 Cb 1.76 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1u2j h ALA 543 CO 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.16 1u2j n ALA 544 N -2.54 2.52 -1.09 0.00 0.00 -1.07 -4.82 120.51 113.51 1u2j n ALA 544 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1u2j n ALA 544 Cb 0.31 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1u2j n ALA 544 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u2j n GLY 545 N 0.40 0.42 3.19 0.00 0.00 0.15 -5.01 105.19 104.33 1u2j n GLY 545 Ca 0.02 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 1u2j n GLY 545 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u2j s LEU 546 N 0.00 2.17 -0.10 0.99 1.43 -0.25 -4.99 118.68 117.92 1u2j s LEU 546 Ca 0.00 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1u2j s LEU 546 Cb 0.00 -0.77 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 1u2j s LEU 546 CO 0.00 0.09 -0.14 -0.44 0.23 0.00 0.00 176.35 176.09 1u2j s SER 547 N -1.15 3.93 -0.15 2.29 0.01 -1.26 -1.29 113.70 116.08 1u2j s SER 547 Ca 0.04 -0.31 -0.06 0.00 1.31 0.00 0.00 55.95 56.93 1u2j s SER 547 Cb -0.08 -1.36 0.07 0.00 0.21 0.00 0.00 66.02 64.85 1u2j s SER 547 CO 0.01 0.22 0.32 -0.63 0.41 0.00 0.00 173.24 173.57 1u2j s ILE 548 N 0.04 -0.37 -0.10 1.44 -1.09 -1.26 -5.03 121.20 114.82 1u2j s ILE 548 Ca -0.05 0.21 -0.29 0.00 -2.23 0.00 0.00 60.65 58.28 1u2j s ILE 548 Cb -0.14 -0.52 -0.01 0.00 -1.58 0.00 0.00 42.46 40.21 1u2j s ILE 548 CO 0.04 0.09 1.00 -2.28 -1.23 0.00 0.00 174.94 172.56 1u2j s HIS 549 N 2.16 3.52 -0.35 3.97 5.65 -1.26 -4.76 115.29 124.21 1u2j s HIS 549 Ca -0.03 1.59 -0.12 0.00 0.25 0.00 0.00 55.06 56.76 1u2j s HIS 549 Cb -0.11 -3.18 0.01 0.00 -1.18 0.00 0.00 32.58 28.11 1u2j s HIS 549 CO -0.10 -0.22 0.21 0.08 -0.65 0.00 0.00 174.74 174.06 1u2j s VAL 550 N 1.98 4.84 0.36 0.89 1.01 -1.26 -5.05 120.40 123.17 1u2j s VAL 550 Ca 0.48 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 1u2j s VAL 550 Cb -0.18 -3.58 -0.11 0.00 0.00 0.00 0.00 36.38 32.51 1u2j s VAL 550 CO 0.18 -0.10 1.52 -2.84 0.00 0.00 0.00 175.10 173.87 1u2j s PRO 551 N 1.63 4.10 0.06 2.72 0.02 -1.26 -5.00 135.00 137.27 1u2j s PRO 551 Ca 0.04 2.59 0.06 0.00 0.02 0.00 0.00 61.00 63.72 1u2j s PRO 551 Cb -0.18 -2.98 -0.03 0.00 0.02 0.00 0.00 34.50 31.34 1u2j s PRO 551 CO 0.08 -0.58 -0.16 0.12 -0.33 0.00 0.00 177.00 176.13 1u2j s PHE 552 N -0.84 1.42 -0.20 6.54 5.36 -1.26 -4.94 117.98 124.06 1u2j s PHE 552 Ca 0.56 -0.41 0.01 0.00 -0.96 0.00 0.00 56.93 56.13 1u2j s PHE 552 Cb -0.47 -0.81 0.04 0.00 -0.34 0.00 0.00 43.02 41.44 1u2j s PHE 552 CO 0.60 0.09 -0.12 0.00 -1.46 0.00 0.00 175.22 174.33 1u2j s ALA 553 N -1.05 2.12 1.14 11.12 0.00 -1.26 -5.13 121.76 128.69 1u2j s ALA 553 Ca 0.02 -1.28 -0.17 0.00 0.00 0.00 0.00 51.96 50.53 1u2j s ALA 553 Cb -0.09 -1.31 0.26 0.00 0.00 0.00 0.00 23.12 21.98 1u2j s ALA 553 CO 0.02 -0.81 1.10 -1.25 0.00 0.00 0.00 175.76 174.83 1u2j s PRO 554 N 1.34 -0.69 0.00 0.00 0.04 -1.26 -4.70 135.00 129.73 1u2j s PRO 554 Ca -0.01 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.15 1u2j s PRO 554 Cb -0.16 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1u2j s PRO 554 CO -0.08 -3.40 0.00 0.41 0.04 0.00 0.00 177.00 173.97 1u2j n GLY 555 N -0.99 1.51 3.73 0.56 0.00 -1.26 -5.07 105.19 103.67 1u2j n GLY 555 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1u2j n GLY 555 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u2j s ARG 556 N -0.12 2.49 0.41 1.61 0.52 -1.26 -4.94 118.95 117.67 1u2j s ARG 556 Ca 0.00 1.90 0.07 0.00 -0.52 0.00 0.00 55.73 57.18 1u2j s ARG 556 Cb 0.00 -1.86 -0.06 0.00 0.52 0.00 0.00 34.95 33.55 1u2j s ARG 556 CO 0.00 -1.60 0.11 0.14 0.02 0.00 0.00 175.30 173.97 1u2j s VAL 557 N -1.66 2.21 -0.33 3.52 -7.23 -1.26 -4.47 120.40 111.17 1u2j s VAL 557 Ca 0.78 -1.83 -0.13 0.00 -1.81 0.00 0.00 61.98 58.99 1u2j s VAL 557 Cb -0.33 -2.99 -0.02 0.00 0.56 0.00 0.00 36.38 33.60 1u2j s VAL 557 CO 0.40 -0.01 0.26 -1.81 -0.31 0.00 0.00 175.10 173.63 1u2j s ASP 558 N -3.82 6.08 0.77 4.85 1.01 -1.26 -0.93 116.67 123.37 1u2j s ASP 558 Ca 0.38 -0.32 -0.11 0.00 0.71 0.00 0.00 52.55 53.21 1u2j s ASP 558 Cb 0.06 -2.15 0.06 0.00 1.01 0.00 0.00 42.92 41.90 1u2j s ASP 558 CO 0.21 -0.23 1.10 0.00 0.21 0.00 0.00 175.17 176.46 1u2j s ALA 559 N 1.79 2.22 0.28 5.23 0.00 0.12 -4.71 121.76 126.69 1u2j s ALA 559 Ca 0.07 0.34 0.06 0.00 0.00 0.00 0.00 51.96 52.43 1u2j s ALA 559 Cb -0.17 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1u2j s ALA 559 CO 0.11 -1.78 0.41 1.03 0.00 0.00 0.00 175.76 175.53 1u2j s ARG 560 N -4.77 3.30 0.50 0.00 0.52 -1.26 -4.92 118.95 112.32 1u2j s ARG 560 Ca 0.62 -0.86 0.22 0.00 -0.52 0.00 0.00 55.73 55.19 1u2j s ARG 560 Cb -0.18 -2.85 1.28 0.00 0.52 0.00 0.00 34.95 33.71 1u2j s ARG 560 CO 0.54 0.26 1.99 0.37 0.02 0.00 0.00 175.30 178.48 1u2j h GLN 561 N 1.04 0.13 0.00 3.54 5.75 -1.95 -1.23 115.11 122.39 1u2j h GLN 561 Ca -0.49 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1u2j h GLN 561 Cb 1.24 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.76 1u2j h GLN 561 CO 0.57 0.08 0.00 0.38 -2.65 0.00 0.00 178.83 177.22 1u2j h ASP 562 N 0.13 0.00 -0.39 -0.69 2.03 -1.99 -1.66 116.42 113.85 1u2j h ASP 562 Ca 0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 1u2j h ASP 562 Cb 0.87 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.37 1u2j h ASP 562 CO -0.03 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.18 1u2j n GLN 563 N -2.32 3.63 -3.35 4.15 6.02 -0.47 -4.73 117.38 120.31 1u2j n GLN 563 Ca 0.03 -2.93 -0.26 0.00 -0.01 0.00 0.00 57.00 53.83 1u2j n GLN 563 Cb 0.28 -1.97 -0.09 0.00 1.02 0.00 0.00 30.24 29.48 1u2j n GLN 563 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1u2j n THR 564 N -0.01 -1.07 -1.83 5.09 -1.04 -0.63 -3.99 114.28 110.80 1u2j n THR 564 Ca 0.23 -3.57 -0.42 0.00 -2.04 0.00 0.00 64.05 58.26 1u2j n THR 564 Cb 0.98 -1.72 -0.03 0.00 -1.82 0.00 0.00 70.33 67.74 1u2j n THR 564 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1u2j s ASP 565 N -0.23 6.48 -0.02 8.00 -1.08 -1.26 -4.84 116.67 123.72 1u2j s ASP 565 Ca 0.33 2.75 -0.23 0.00 -0.52 0.00 0.00 52.55 54.88 1u2j s ASP 565 Cb 0.07 -2.60 -0.17 0.00 -1.46 0.00 0.00 42.92 38.76 1u2j s ASP 565 CO -0.18 -0.90 1.06 0.40 0.52 0.00 0.00 175.17 176.07 1u2j h ILE 566 N 3.91 0.84 -0.94 4.11 1.08 -1.90 -2.31 117.51 122.31 1u2j h ILE 566 Ca -0.43 -0.91 0.15 0.00 -0.39 0.00 0.00 64.86 63.28 1u2j h ILE 566 Cb 1.20 1.33 -0.10 0.00 -3.07 0.00 0.00 36.82 36.19 1u2j h ILE 566 CO 0.94 0.19 0.54 -0.33 -0.69 0.00 0.00 178.15 178.80 1u2j h GLU 567 N -0.77 0.74 0.00 2.37 5.08 -1.99 -0.60 114.58 119.40 1u2j h GLU 567 Ca -0.03 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1u2j h GLU 567 Cb 0.51 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1u2j h GLU 567 CO 0.05 0.49 -0.35 0.52 -1.00 0.00 0.00 179.01 178.72 1u2j h MET 568 N 0.76 0.00 0.00 2.33 2.86 -1.94 -3.14 114.93 115.80 1u2j h MET 568 Ca 0.51 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.97 1u2j h MET 568 Cb 0.70 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 1u2j h MET 568 CO -0.35 0.35 -1.07 0.74 1.06 0.00 0.00 176.91 177.65 1u2j h PHE 569 N 0.00 0.00 -0.12 -0.22 0.04 -0.71 -3.17 116.94 112.77 1u2j h PHE 569 Ca -0.00 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.80 1u2j h PHE 569 Cb 1.16 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.31 1u2j h PHE 569 CO 0.00 0.73 0.31 0.93 -0.60 0.00 0.00 178.31 179.68 1u2j h GLU 570 N 0.00 0.00 0.00 1.51 5.08 -1.09 0.37 114.58 120.45 1u2j h GLU 570 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1u2j h GLU 570 Cb 1.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.89 1u2j h GLU 570 CO 0.08 0.00 -0.19 1.28 -1.00 0.00 0.00 179.01 179.18 1u2j n LEU 571 N -3.22 0.42 -1.27 1.33 4.77 -1.20 -2.91 117.00 114.92 1u2j n LEU 571 Ca 0.01 0.39 0.12 0.00 -0.03 0.00 0.00 56.01 56.49 1u2j n LEU 571 Cb 0.40 -0.36 0.29 0.00 -2.33 0.00 0.00 43.42 41.42 1u2j n LEU 571 CO 0.19 -0.03 0.75 0.18 -1.33 0.00 0.00 177.39 177.15 1u2j n LEU 572 N -1.80 3.71 -4.67 2.23 4.77 0.13 -4.92 117.00 116.45 1u2j n LEU 572 Ca 0.06 -1.78 -0.43 0.00 -0.03 0.00 0.00 56.01 53.83 1u2j n LEU 572 Cb 0.38 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1u2j n LEU 572 CO 0.31 0.89 1.09 -0.70 -1.33 0.00 0.00 177.39 177.64 1u2j s GLU 573 N -1.19 4.27 0.31 3.23 2.12 -1.15 -4.94 118.70 121.36 1u2j s GLU 573 Ca 0.45 1.79 -0.29 0.00 0.36 0.00 0.00 54.97 57.28 1u2j s GLU 573 Cb 0.24 -3.69 -0.10 0.00 0.26 0.00 0.00 34.13 30.84 1u2j s GLU 573 CO 0.32 -0.62 1.18 -1.25 -0.54 0.00 0.00 175.26 174.35 1u2j s PRO 574 N 2.98 4.48 0.24 4.30 0.04 -1.26 -4.91 135.00 140.87 1u2j s PRO 574 Ca 0.59 1.96 0.11 0.00 0.04 0.00 0.00 61.00 63.70 1u2j s PRO 574 Cb -0.26 -3.09 0.23 0.00 0.04 0.00 0.00 34.50 31.42 1u2j s PRO 574 CO 0.21 0.01 1.53 0.82 0.04 0.00 0.00 177.00 179.61 1u2j h ILE 575 N 2.99 1.42 -2.74 0.56 2.04 -1.92 -3.47 117.51 116.39 1u2j h ILE 575 Ca -0.48 -2.41 -0.06 0.00 1.00 0.00 0.00 64.86 62.91 1u2j h ILE 575 Cb 1.22 2.32 -0.16 0.00 -0.74 0.00 0.00 36.82 39.46 1u2j h ILE 575 CO 0.66 0.67 0.05 0.00 0.00 0.00 0.00 178.15 179.53 1u2j s ALA 576 N -3.33 -1.35 -0.36 1.87 0.00 -1.26 0.32 121.76 117.64 1u2j s ALA 576 Ca -0.00 0.62 0.04 0.00 0.00 0.00 0.00 51.96 52.62 1u2j s ALA 576 Cb 0.11 0.38 0.16 0.00 0.00 0.00 0.00 23.12 23.77 1u2j s ALA 576 CO 0.77 -0.51 0.43 0.34 0.00 0.00 0.00 175.76 176.79 1u2j s ASP 577 N -1.95 0.52 0.56 0.00 -1.08 0.28 -4.96 116.67 110.02 1u2j s ASP 577 Ca -0.05 -1.22 0.25 0.00 -0.52 0.00 0.00 52.55 51.01 1u2j s ASP 577 Cb -0.01 0.92 1.59 0.00 -1.46 0.00 0.00 42.92 43.97 1u2j s ASP 577 CO -0.01 -0.26 2.19 1.23 0.52 0.00 0.00 175.17 178.84 1u2j h GLY 578 N 7.25 0.00 1.99 2.66 0.00 -1.88 0.11 103.07 113.20 1u2j h GLY 578 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1u2j h GLY 578 CO 0.19 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.42 1u2j n PHE 579 N -4.04 0.00 -0.44 5.60 3.72 -1.26 -2.04 117.46 119.00 1u2j n PHE 579 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1u2j n PHE 579 Cb 0.11 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.16 1u2j n PHE 579 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1u2j n ARG 580 N -1.49 0.32 -3.79 -1.08 1.74 0.21 -4.76 116.66 107.81 1u2j n ARG 580 Ca 0.02 -0.58 -0.29 0.00 -0.77 0.00 0.00 57.85 56.23 1u2j n ARG 580 Cb 0.10 -0.78 0.03 0.00 -1.02 0.00 0.00 32.46 30.79 1u2j n ARG 580 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1u2j n ASN 581 N -0.11 -4.93 -4.83 0.55 3.02 -0.17 -1.78 115.26 107.01 1u2j n ASN 581 Ca 0.00 -0.70 -0.36 0.00 -0.03 0.00 0.00 54.58 53.49 1u2j n ASN 581 Cb 0.21 -3.94 -0.07 0.00 -0.61 0.00 0.00 39.78 35.37 1u2j n ASN 581 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1u2j s TYR 582 N -3.25 3.51 -0.24 3.10 5.04 -0.15 -4.78 117.35 120.56 1u2j s TYR 582 Ca 0.62 0.45 -0.03 0.00 -2.44 0.00 0.00 57.07 55.67 1u2j s TYR 582 Cb -0.31 -1.94 0.13 0.00 0.35 0.00 0.00 41.96 40.19 1u2j s TYR 582 CO 0.76 0.64 0.35 0.50 -1.34 0.00 0.00 175.55 176.47 1u2j s ARG 583 N -0.85 0.33 0.44 4.97 3.00 -1.26 -0.56 118.95 125.02 1u2j s ARG 583 Ca 0.14 0.43 0.07 0.00 -1.00 0.00 0.00 55.73 55.37 1u2j s ARG 583 Cb -0.12 -0.58 -0.03 0.00 0.00 0.00 0.00 34.95 34.22 1u2j s ARG 583 CO 0.03 -0.69 0.26 0.00 0.00 0.00 0.00 175.30 174.90 1u2j s ALA 584 N 2.51 3.88 -1.00 6.12 0.00 0.15 -4.86 121.76 128.56 1u2j s ALA 584 Ca 0.12 -1.80 -0.12 0.00 0.00 0.00 0.00 51.96 50.15 1u2j s ALA 584 Cb -0.15 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 1u2j s ALA 584 CO -0.17 -0.23 0.77 0.54 0.00 0.00 0.00 175.76 176.67 1u2j n ARG 585 N -1.41 -1.42 0.13 0.00 1.74 -1.26 -4.79 116.66 109.65 1u2j n ARG 585 Ca -0.01 0.77 0.06 0.00 -0.77 0.00 0.00 57.85 57.90 1u2j n ARG 585 Cb 0.64 -4.44 0.32 0.00 -1.02 0.00 0.00 32.46 27.96 1u2j n ARG 585 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1u2j n LEU 586 N -3.35 0.30 0.14 0.55 4.77 -1.26 -1.84 117.00 116.32 1u2j n LEU 586 Ca -0.10 0.54 0.09 0.00 -0.03 0.00 0.00 56.01 56.51 1u2j n LEU 586 Cb 0.59 -0.52 0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1u2j n LEU 586 CO 0.63 -0.65 0.33 -2.24 -1.33 0.00 0.00 177.39 174.13 1u2j h ASP 587 N 0.00 0.00 -3.36 -1.43 -0.00 -2.03 -3.45 116.42 106.15 1u2j h ASP 587 Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 57.03 56.45 1u2j h ASP 587 Cb 0.44 0.00 -0.08 0.00 -0.00 0.00 0.00 39.33 39.69 1u2j h ASP 587 CO 0.00 0.16 0.22 -0.69 -0.00 0.00 0.00 179.24 178.93 1u2j s VAL 588 N -3.18 4.97 0.00 4.15 1.01 -0.76 -4.99 120.40 121.59 1u2j s VAL 588 Ca 0.03 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.41 1u2j s VAL 588 Cb 0.07 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1u2j s VAL 588 CO 0.74 0.10 0.00 -1.54 0.00 0.00 0.00 175.10 174.40 1u2j n SER 589 N 4.93 -1.70 -4.11 3.32 3.41 -1.26 -4.83 113.62 113.38 1u2j n SER 589 Ca 0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.54 1u2j n SER 589 Cb 0.50 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 1u2j n SER 589 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1u2j s THR 590 N 0.00 0.31 0.14 6.66 -4.23 -1.26 -5.02 115.64 112.24 1u2j s THR 590 Ca 0.00 -1.84 -0.16 0.00 -1.18 0.00 0.00 61.69 58.51 1u2j s THR 590 Cb 0.00 -1.56 0.00 0.00 1.34 0.00 0.00 72.50 72.28 1u2j s THR 590 CO 0.00 -0.97 1.75 0.71 -0.54 0.00 0.00 174.62 175.57 1u2j h THR 591 N 3.11 1.15 -0.59 3.99 1.35 -1.97 0.50 112.91 120.45 1u2j h THR 591 Ca -0.34 -0.38 -0.08 0.00 -0.55 0.00 0.00 66.41 65.06 1u2j h THR 591 Cb 1.15 0.69 -0.02 0.00 -1.73 0.00 0.00 68.15 68.23 1u2j h THR 591 CO 0.66 0.15 0.06 1.05 -0.25 0.00 0.00 175.52 177.19 1u2j h GLU 592 N 0.50 0.98 -0.33 4.72 9.09 -1.97 -0.03 114.58 127.55 1u2j h GLU 592 Ca 0.14 -0.26 -0.14 0.00 0.05 0.00 0.00 59.36 59.14 1u2j h GLU 592 Cb 0.05 -0.11 -0.00 0.00 -1.65 0.00 0.00 28.75 27.03 1u2j h GLU 592 CO -0.02 0.93 -0.35 0.66 0.05 0.00 0.00 179.01 180.28 1u2j h SER 593 N 0.92 0.87 0.17 3.06 4.64 -1.79 -1.60 113.55 119.82 1u2j h SER 593 Ca 0.18 -0.47 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 1u2j h SER 593 Cb 0.45 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1u2j h SER 593 CO 0.02 1.17 -0.05 -0.07 -0.87 0.00 0.00 176.83 177.02 1u2j h LEU 594 N 0.59 0.00 0.78 5.97 3.38 0.09 -0.73 115.31 125.40 1u2j h LEU 594 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1u2j h LEU 594 Cb 0.93 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.69 1u2j h LEU 594 CO 0.09 0.05 -0.38 0.25 0.09 0.00 0.00 178.44 178.54 1u2j h LEU 595 N 0.00 -0.89 -0.70 1.67 5.85 -0.04 -2.02 115.31 119.18 1u2j h LEU 595 Ca -0.00 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.86 1u2j h LEU 595 Cb 0.15 0.23 -0.09 0.00 0.37 0.00 0.00 40.66 41.32 1u2j h LEU 595 CO 0.01 -0.57 0.27 0.40 -0.34 0.00 0.00 178.44 178.21 1u2j h ILE 596 N -1.17 0.69 -0.39 4.05 1.08 -1.07 -1.91 117.51 118.79 1u2j h ILE 596 Ca -0.11 -0.15 0.02 0.00 -0.39 0.00 0.00 64.86 64.24 1u2j h ILE 596 Cb 0.82 0.23 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 1u2j h ILE 596 CO 0.18 0.08 0.22 -0.78 -0.69 0.00 0.00 178.15 177.15 1u2j h ASP 597 N 0.42 0.35 -0.03 1.72 -0.00 -1.02 -1.22 116.42 116.64 1u2j h ASP 597 Ca 0.38 0.01 -0.10 0.00 -0.00 0.00 0.00 57.03 57.31 1u2j h ASP 597 Cb 0.54 -0.06 -0.01 0.00 -0.00 0.00 0.00 39.33 39.79 1u2j h ASP 597 CO -0.38 0.25 -0.29 0.50 -0.00 0.00 0.00 179.24 179.32 1u2j h LYS 598 N 0.45 0.48 -0.06 0.28 1.63 -0.65 -1.36 116.57 117.33 1u2j h LYS 598 Ca 0.16 -0.19 -0.18 0.00 -0.85 0.00 0.00 60.65 59.59 1u2j h LYS 598 Cb 0.03 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 1u2j h LYS 598 CO -0.09 0.72 -0.73 0.00 -3.45 0.00 0.00 179.45 175.91 1u2j h ALA 599 N 1.28 0.64 -0.47 5.00 0.00 -0.58 -2.15 119.26 122.97 1u2j h ALA 599 Ca 0.06 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1u2j h ALA 599 Cb 0.72 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1u2j h ALA 599 CO 0.06 0.78 0.22 1.96 0.00 0.00 0.00 179.25 182.26 1u2j h GLN 600 N 0.23 0.68 -0.85 0.00 4.20 -0.91 0.56 115.11 119.01 1u2j h GLN 600 Ca -0.03 -0.11 0.12 0.00 0.06 0.00 0.00 58.65 58.70 1u2j h GLN 600 Cb 1.30 -0.12 -0.08 0.00 0.30 0.00 0.00 27.48 28.87 1u2j h GLN 600 CO 0.12 0.59 0.47 1.96 -0.67 0.00 0.00 178.83 181.30 1u2j h GLN 601 N 0.62 0.71 -0.05 1.46 4.20 -1.05 0.24 115.11 121.23 1u2j h GLN 601 Ca 0.16 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1u2j h GLN 601 Cb 0.14 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1u2j h GLN 601 CO -0.02 0.47 0.00 1.28 -0.67 0.00 0.00 178.83 179.89 1u2j n LEU 602 N -4.79 0.24 -3.58 1.46 4.77 -0.83 0.28 117.00 114.54 1u2j n LEU 602 Ca 0.16 -0.12 -0.26 0.00 -0.03 0.00 0.00 56.01 55.76 1u2j n LEU 602 Cb 0.36 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1u2j n LEU 602 CO 0.24 0.06 -0.04 0.35 -1.33 0.00 0.00 177.39 176.67 1u2j n THR 603 N -0.37 -0.82 -2.80 -5.08 -2.24 0.84 -4.92 114.28 98.88 1u2j n THR 603 Ca 0.01 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.49 1u2j n THR 603 Cb 0.04 -1.52 -0.03 0.00 -2.10 0.00 0.00 70.33 66.72 1u2j n THR 603 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1u2j s LEU 604 N -6.60 3.81 0.79 3.22 1.43 0.19 -4.97 118.68 116.56 1u2j s LEU 604 Ca 0.48 1.21 -0.08 0.00 -1.03 0.00 0.00 54.13 54.71 1u2j s LEU 604 Cb -0.26 -4.09 0.12 0.00 0.03 0.00 0.00 46.19 41.99 1u2j s LEU 604 CO 0.59 -0.42 1.11 0.42 0.23 0.00 0.00 176.35 178.29 1u2j s THR 605 N -2.39 2.14 0.15 5.49 -4.23 -1.26 -4.56 115.64 110.99 1u2j s THR 605 Ca 0.53 -0.25 -0.12 0.00 -1.18 0.00 0.00 61.69 60.66 1u2j s THR 605 Cb -0.10 -2.89 0.03 0.00 1.34 0.00 0.00 72.50 70.88 1u2j s THR 605 CO 0.30 0.00 1.64 0.00 -0.54 0.00 0.00 174.62 176.03 1u2j h ALA 606 N -0.92 0.69 -0.13 3.99 0.00 -1.99 0.29 119.26 121.19 1u2j h ALA 606 Ca -0.43 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.14 1u2j h ALA 606 Cb 1.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1u2j h ALA 606 CO 0.49 0.42 -0.37 -1.35 0.00 0.00 0.00 179.25 178.44 1u2j h PRO 607 N 0.74 0.27 -0.27 0.00 0.11 -1.98 -1.25 132.00 129.63 1u2j h PRO 607 Ca 0.16 -0.12 -0.11 0.00 0.11 0.00 0.00 66.00 66.04 1u2j h PRO 607 Cb 0.40 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 1u2j h PRO 607 CO 0.01 0.60 -0.27 0.93 -0.21 0.00 0.00 178.00 179.07 1u2j h GLU 608 N 0.23 0.66 -0.07 1.05 5.08 -1.82 0.18 114.58 119.88 1u2j h GLU 608 Ca 0.03 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1u2j h GLU 608 Cb 0.76 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1u2j h GLU 608 CO 0.06 0.95 0.03 1.98 -1.00 0.00 0.00 179.01 181.03 1u2j h MET 609 N 0.38 0.11 0.05 2.33 4.05 -0.83 0.31 114.93 121.34 1u2j h MET 609 Ca 0.04 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.47 1u2j h MET 609 Cb 0.83 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.58 1u2j h MET 609 CO 0.07 0.20 -0.21 1.15 0.23 0.00 0.00 176.91 178.35 1u2j h THR 610 N -0.01 0.51 -0.10 -0.77 2.02 -1.17 0.59 112.91 113.97 1u2j h THR 610 Ca 0.03 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.23 1u2j h THR 610 Cb 0.13 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1u2j h THR 610 CO -0.00 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.81 1u2j h ALA 611 N 0.47 0.01 -0.24 6.16 0.00 -0.53 -1.77 119.26 123.36 1u2j h ALA 611 Ca 0.04 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1u2j h ALA 611 Cb 0.42 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1u2j h ALA 611 CO -0.16 -0.53 -0.13 -0.07 0.00 0.00 0.00 179.25 178.35 1u2j h LEU 612 N -0.08 -0.44 -0.09 0.00 4.07 0.56 -1.95 115.31 117.37 1u2j h LEU 612 Ca 0.07 0.10 0.03 0.00 0.08 0.00 0.00 57.88 58.15 1u2j h LEU 612 Cb 0.18 0.24 -0.03 0.00 1.08 0.00 0.00 40.66 42.13 1u2j h LEU 612 CO -0.16 -0.17 -0.07 0.58 -1.08 0.00 0.00 178.44 177.54 1u2j h VAL 613 N -0.11 0.79 -0.23 1.22 2.07 0.50 -0.55 116.25 119.93 1u2j h VAL 613 Ca 0.13 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.59 1u2j h VAL 613 Cb 0.31 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1u2j h VAL 613 CO -0.31 0.00 -0.12 1.23 0.02 0.00 0.00 177.57 178.39 1u2j h GLY 614 N -0.08 0.41 0.38 2.17 0.00 -1.13 -1.62 103.07 103.20 1u2j h GLY 614 Ca 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1u2j h GLY 614 CO -0.14 0.25 -0.06 -1.33 0.00 0.00 0.00 176.54 175.26 1u2j h GLY 615 N 0.85 -0.16 -0.13 4.60 0.00 -1.12 -2.86 103.07 104.25 1u2j h GLY 615 Ca 0.07 0.06 0.21 0.00 0.00 0.00 0.00 47.33 47.67 1u2j h GLY 615 CO 0.02 -0.06 0.41 -0.33 0.00 0.00 0.00 176.54 176.58 1u2j h MET 616 N -0.78 0.43 0.07 4.80 2.86 -1.09 0.11 114.93 121.33 1u2j h MET 616 Ca -0.02 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1u2j h MET 616 Cb 0.55 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1u2j h MET 616 CO 0.03 0.28 -0.09 0.00 1.06 0.00 0.00 176.91 178.19 1u2j h ARG 617 N 0.44 -0.18 0.00 1.72 2.47 -1.28 -1.24 114.38 116.32 1u2j h ARG 617 Ca 0.55 0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 59.18 1u2j h ARG 617 Cb 1.01 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.35 1u2j h ARG 617 CO -0.50 -0.12 -0.46 -0.39 0.56 0.00 0.00 179.97 179.06 1u2j h VAL 618 N -0.18 1.14 0.00 2.04 -1.51 -1.10 -1.86 116.25 114.78 1u2j h VAL 618 Ca 0.01 -1.70 0.00 0.00 -1.23 0.00 0.00 66.70 63.78 1u2j h VAL 618 Cb 0.19 1.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1u2j h VAL 618 CO -0.04 0.45 0.00 0.18 -1.23 0.00 0.00 177.57 176.93 1u2j n LEU 619 N -3.71 0.00 -1.07 4.19 4.77 0.31 -0.24 117.00 121.25 1u2j n LEU 619 Ca -0.01 0.50 -0.06 0.00 -0.03 0.00 0.00 56.01 56.41 1u2j n LEU 619 Cb 0.53 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1u2j n LEU 619 CO 0.39 -0.16 0.02 0.61 -1.33 0.00 0.00 177.39 176.92 1u2j n GLY 620 N 0.53 0.46 2.00 -0.72 0.00 -0.70 -3.86 105.19 102.90 1u2j n GLY 620 Ca 0.05 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 1u2j n GLY 620 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2j n ALA 621 N -2.58 4.98 -1.17 4.61 0.00 -0.52 -4.82 120.51 121.01 1u2j n ALA 621 Ca -0.02 -2.36 -0.34 0.00 0.00 0.00 0.00 53.44 50.73 1u2j n ALA 621 Cb 0.52 -1.35 0.12 0.00 0.00 0.00 0.00 19.45 18.74 1u2j n ALA 621 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1u2j s ASN 622 N -0.90 3.71 0.35 0.00 0.01 -1.26 -4.60 114.94 112.24 1u2j s ASN 622 Ca 0.48 2.39 0.19 0.00 -0.71 0.00 0.00 52.86 55.20 1u2j s ASN 622 Cb 0.40 -2.59 0.25 0.00 0.41 0.00 0.00 41.25 39.72 1u2j s ASN 622 CO 0.10 -2.59 1.54 2.19 -1.51 0.00 0.00 177.10 176.82 1u2j h PHE 623 N -0.75 0.00 -1.97 2.20 -5.15 -1.66 -3.44 116.94 106.17 1u2j h PHE 623 Ca -0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.30 1u2j h PHE 623 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.47 1u2j h PHE 623 CO 0.46 0.30 0.00 -0.40 -2.00 0.00 0.00 178.31 176.68 1u2j n ASP 624 N -3.20 0.99 -0.45 -0.68 3.85 -1.26 -4.14 116.55 111.67 1u2j n ASP 624 Ca 0.02 0.00 0.08 0.00 -0.71 0.00 0.00 54.79 54.18 1u2j n ASP 624 Cb 0.63 0.00 0.29 0.00 -1.35 0.00 0.00 41.12 40.70 1u2j n ASP 624 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1u2j n GLY 625 N 4.83 0.09 3.58 6.12 0.00 -1.26 -4.95 105.19 113.58 1u2j n GLY 625 Ca 0.00 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1u2j n GLY 625 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1u2j n SER 626 N 0.15 -0.47 -0.27 1.61 2.88 -1.26 -4.90 113.62 111.35 1u2j n SER 626 Ca 0.13 0.41 0.03 0.00 -1.33 0.00 0.00 58.87 58.11 1u2j n SER 626 Cb 0.25 -1.38 0.05 0.00 -0.75 0.00 0.00 64.21 62.38 1u2j n SER 626 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1u2j n LYS 627 N -3.14 1.74 -1.60 -1.46 5.02 -1.26 -4.85 118.16 112.61 1u2j n LYS 627 Ca 0.10 -1.40 -0.49 0.00 -2.02 0.00 0.00 58.31 54.49 1u2j n LYS 627 Cb 0.52 -1.12 -0.05 0.00 -0.02 0.00 0.00 35.03 34.36 1u2j n LYS 627 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1u2j n ASN 628 N 0.10 2.89 0.00 4.39 3.02 -1.26 -0.64 115.26 123.76 1u2j n ASN 628 Ca 0.05 0.69 0.00 0.00 -0.03 0.00 0.00 54.58 55.28 1u2j n ASN 628 Cb 0.26 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.09 1u2j n ASN 628 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u2j n GLY 629 N 5.29 1.31 3.06 7.41 0.00 0.11 -4.80 105.19 117.57 1u2j n GLY 629 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 1u2j n GLY 629 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u2j n VAL 630 N -2.00 3.65 -2.17 1.61 0.31 0.19 -4.70 118.33 115.22 1u2j n VAL 630 Ca 0.00 -3.45 -0.42 0.00 -0.01 0.00 0.00 64.34 60.46 1u2j n VAL 630 Cb 0.00 -2.51 0.00 0.00 -0.91 0.00 0.00 33.84 30.42 1u2j n VAL 630 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1u2j n PHE 631 N 6.98 3.62 -3.58 3.52 3.72 -1.26 -4.85 117.46 125.61 1u2j n PHE 631 Ca 0.51 -2.93 -0.11 0.00 -0.05 0.00 0.00 57.45 54.87 1u2j n PHE 631 Cb 0.42 -2.32 -0.06 0.00 -0.94 0.00 0.00 39.48 36.58 1u2j n PHE 631 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1u2j s THR 632 N 2.20 0.00 -1.74 4.37 -1.32 -1.26 -3.73 115.64 114.16 1u2j s THR 632 Ca 0.45 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.18 1u2j s THR 632 Cb 0.10 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.22 1u2j s THR 632 CO -0.03 0.00 1.37 -0.90 -2.21 0.00 0.00 174.62 172.85 1u2j n ASP 633 N 1.00 1.30 -3.73 8.08 5.75 -1.26 -4.59 116.55 123.10 1u2j n ASP 633 Ca -0.11 -1.04 -0.30 0.00 -0.01 0.00 0.00 54.79 53.32 1u2j n ASP 633 Cb 0.57 0.30 -0.08 0.00 -1.03 0.00 0.00 41.12 40.88 1u2j n ASP 633 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1u2j n ARG 634 N -0.57 2.46 -1.70 0.11 1.74 -1.26 -5.07 116.66 112.37 1u2j n ARG 634 Ca 0.10 -4.58 -0.42 0.00 -0.77 0.00 0.00 57.85 52.18 1u2j n ARG 634 Cb 0.38 -2.31 -0.03 0.00 -1.02 0.00 0.00 32.46 29.48 1u2j n ARG 634 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1u2j n VAL 635 N 1.46 0.23 -0.02 1.55 0.31 -1.26 -1.88 118.33 118.73 1u2j n VAL 635 Ca 0.25 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 1u2j n VAL 635 Cb 0.38 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 1u2j n VAL 635 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u2j n GLY 636 N 4.16 0.38 3.71 2.92 0.00 0.67 -4.97 105.19 112.06 1u2j n GLY 636 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1u2j n GLY 636 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u2j s VAL 637 N -2.05 5.18 -1.38 1.61 0.11 -0.79 -4.38 120.40 118.71 1u2j s VAL 637 Ca 0.00 0.11 -0.15 0.00 -2.93 0.00 0.00 61.98 59.01 1u2j s VAL 637 Cb 0.00 -3.34 0.06 0.00 -1.53 0.00 0.00 36.38 31.58 1u2j s VAL 637 CO 0.00 0.47 2.01 -0.11 -3.33 0.00 0.00 175.10 174.14 1u2j n LEU 638 N 3.31 6.16 0.00 2.54 7.94 -0.63 -4.60 117.00 131.71 1u2j n LEU 638 Ca -0.17 -4.12 -0.15 0.00 -1.11 0.00 0.00 56.01 50.46 1u2j n LEU 638 Cb 0.52 -1.67 0.05 0.00 0.53 0.00 0.00 43.42 42.85 1u2j n LEU 638 CO 0.36 0.80 0.28 -1.54 -1.11 0.00 0.00 177.39 176.17 1u2j n SER 639 N 6.66 1.63 -2.00 1.96 3.41 -1.26 -4.78 113.62 119.23 1u2j n SER 639 Ca 0.49 -2.18 -0.14 0.00 -0.26 0.00 0.00 58.87 56.78 1u2j n SER 639 Cb 0.41 -0.32 0.23 0.00 -0.26 0.00 0.00 64.21 64.28 1u2j n SER 639 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1u2j n ASN 640 N -2.48 4.04 -0.18 4.04 6.94 -1.26 -4.71 115.26 121.65 1u2j n ASN 640 Ca 0.12 -3.47 0.11 0.00 -0.02 0.00 0.00 54.58 51.33 1u2j n ASN 640 Cb 0.46 -0.78 0.43 0.00 -2.36 0.00 0.00 39.78 37.53 1u2j n ASN 640 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1u2j h ASP 641 N 1.66 0.54 -0.62 0.53 3.32 -1.92 -2.07 116.42 117.87 1u2j h ASP 641 Ca 0.44 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.52 1u2j h ASP 641 Cb 2.51 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 41.94 1u2j h ASP 641 CO 0.87 0.30 0.40 0.15 -1.72 0.00 0.00 179.24 179.24 1u2j h PHE 642 N 0.59 0.75 -0.17 4.55 3.57 -1.82 -0.70 116.94 123.70 1u2j h PHE 642 Ca 0.36 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.77 1u2j h PHE 642 Cb 0.59 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1u2j h PHE 642 CO -0.00 0.45 -0.31 0.74 -2.23 0.00 0.00 178.31 176.96 1u2j h PHE 643 N 0.79 0.64 -0.19 0.41 0.04 -1.73 0.27 116.94 117.17 1u2j h PHE 643 Ca 0.24 -0.23 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1u2j h PHE 643 Cb -0.04 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 1u2j h PHE 643 CO -0.04 0.94 -0.03 0.28 -0.60 0.00 0.00 178.31 178.86 1u2j h VAL 644 N 0.15 1.28 -0.56 -0.55 2.07 -1.15 -2.50 116.25 114.99 1u2j h VAL 644 Ca 0.01 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 1u2j h VAL 644 Cb 0.90 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1u2j h VAL 644 CO 0.07 0.30 0.22 0.78 0.02 0.00 0.00 177.57 178.95 1u2j h ASN 645 N 0.09 0.78 -0.97 0.57 2.35 -1.21 -2.26 115.58 114.93 1u2j h ASN 645 Ca 0.05 -0.18 0.29 0.00 -0.55 0.00 0.00 56.30 55.91 1u2j h ASN 645 Cb 0.46 -0.20 -0.14 0.00 0.05 0.00 0.00 38.32 38.49 1u2j h ASN 645 CO 0.02 0.75 0.48 0.25 -1.65 0.00 0.00 177.43 177.28 1u2j h LEU 646 N 0.77 0.40 -1.87 1.61 5.85 -0.18 -2.85 115.31 119.05 1u2j h LEU 646 Ca 0.19 0.19 0.00 0.00 0.84 0.00 0.00 57.88 59.09 1u2j h LEU 646 Cb 0.21 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1u2j h LEU 646 CO -0.01 -0.11 0.00 0.18 -0.34 0.00 0.00 178.44 178.16 1u2j n LEU 647 N -5.08 2.44 -4.66 2.25 4.77 -0.97 -4.94 117.00 110.81 1u2j n LEU 647 Ca 0.28 -1.25 -0.42 0.00 -0.03 0.00 0.00 56.01 54.59 1u2j n LEU 647 Cb 0.87 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.86 1u2j n LEU 647 CO 0.10 0.50 1.33 -0.62 -1.33 0.00 0.00 177.39 177.36 1u2j s ASP 648 N -1.14 6.71 0.00 -1.43 -1.08 -0.86 -4.87 116.67 113.99 1u2j s ASP 648 Ca 0.20 2.15 0.09 0.00 -0.52 0.00 0.00 52.55 54.47 1u2j s ASP 648 Cb 0.13 -2.53 0.40 0.00 -1.46 0.00 0.00 42.92 39.46 1u2j s ASP 648 CO 0.18 -0.90 1.25 0.23 0.52 0.00 0.00 175.17 176.46 1u2j n MET 649 N 7.04 0.04 -0.27 4.34 2.81 -1.26 -2.20 117.12 127.63 1u2j n MET 649 Ca 0.17 0.31 0.04 0.00 -1.81 0.00 0.00 57.70 56.40 1u2j n MET 649 Cb 0.43 -1.50 0.17 0.00 -0.71 0.00 0.00 33.22 31.61 1u2j n MET 649 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1u2j h ARG 650 N 0.00 0.58 -5.79 0.03 2.43 -1.95 -3.42 114.38 106.26 1u2j h ARG 650 Ca 0.00 -0.04 -0.59 0.00 -0.81 0.00 0.00 59.98 58.55 1u2j h ARG 650 Cb 0.13 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.48 1u2j h ARG 650 CO 0.00 0.39 -0.18 0.71 -1.51 0.00 0.00 179.97 179.38 1u2j s TYR 651 N -6.03 3.57 -0.24 2.20 1.51 -0.93 -1.00 117.35 116.44 1u2j s TYR 651 Ca -0.12 0.89 -0.08 0.00 -1.01 0.00 0.00 57.07 56.75 1u2j s TYR 651 Cb 0.20 -2.45 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 1u2j s TYR 651 CO 0.77 0.32 0.09 -2.00 -1.11 0.00 0.00 175.55 173.62 1u2j s GLU 652 N 0.09 3.81 -0.24 -0.62 2.12 0.33 -4.85 118.70 119.34 1u2j s GLU 652 Ca 0.24 -0.41 -0.12 0.00 0.36 0.00 0.00 54.97 55.05 1u2j s GLU 652 Cb -0.15 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 1u2j s GLU 652 CO 0.11 -0.06 0.21 -1.58 -0.54 0.00 0.00 175.26 173.40 1u2j s TRP 653 N 1.32 3.31 -0.02 5.30 0.52 -1.26 -0.38 118.94 127.73 1u2j s TRP 653 Ca 0.05 0.29 0.01 0.00 0.02 0.00 0.00 56.10 56.47 1u2j s TRP 653 Cb -0.15 -2.34 0.01 0.00 -1.15 0.00 0.00 33.47 29.85 1u2j s TRP 653 CO 0.05 0.01 -0.01 0.15 0.02 0.00 0.00 176.95 177.16 1u2j s LYS 654 N 1.24 0.26 0.45 4.98 1.02 -0.74 -4.95 119.74 122.00 1u2j s LYS 654 Ca 0.10 -0.01 -0.25 0.00 0.02 0.00 0.00 55.97 55.83 1u2j s LYS 654 Cb -0.14 -0.35 -0.08 0.00 -0.52 0.00 0.00 37.83 36.74 1u2j s LYS 654 CO 0.06 -0.04 1.40 0.00 -0.92 0.00 0.00 175.35 175.85 1u2j s ALA 655 N 0.48 3.21 -0.48 5.17 0.00 -1.26 -1.27 121.76 127.61 1u2j s ALA 655 Ca -0.05 1.41 0.23 0.00 0.00 0.00 0.00 51.96 53.56 1u2j s ALA 655 Cb -0.07 -3.57 0.20 0.00 0.00 0.00 0.00 23.12 19.67 1u2j s ALA 655 CO -0.01 -1.14 1.21 1.79 0.00 0.00 0.00 175.76 177.61 1u2j h THR 656 N 2.26 0.00 -3.34 0.00 1.35 -1.65 -3.47 112.91 108.06 1u2j h THR 656 Ca -0.51 -0.70 -0.10 0.00 -0.55 0.00 0.00 66.41 64.56 1u2j h THR 656 Cb 1.26 1.25 -0.02 0.00 -1.73 0.00 0.00 68.15 68.91 1u2j h THR 656 CO 0.61 0.00 0.14 1.51 -0.25 0.00 0.00 175.52 177.53 1u2j s ASP 657 N -4.71 0.29 0.57 5.36 1.47 -1.26 -5.04 116.67 113.34 1u2j s ASP 657 Ca 0.04 -1.25 0.33 0.00 1.18 0.00 0.00 52.55 52.84 1u2j s ASP 657 Cb 0.12 0.80 1.70 0.00 -0.34 0.00 0.00 42.92 45.19 1u2j s ASP 657 CO 0.75 -1.58 2.14 1.05 0.68 0.00 0.00 175.17 178.22 1u2j h GLU 658 N 2.03 0.00 0.00 2.11 4.11 -1.98 -1.07 114.58 119.77 1u2j h GLU 658 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1u2j h GLU 658 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1u2j h GLU 658 CO 0.40 0.06 0.00 0.66 0.07 0.00 0.00 179.01 180.20 1u2j h SER 659 N 0.00 0.00 -6.23 3.06 4.64 -1.98 -3.46 113.55 109.59 1u2j h SER 659 Ca -0.00 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.89 1u2j h SER 659 Cb 0.26 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.15 1u2j h SER 659 CO 0.01 0.00 -0.62 0.29 -0.87 0.00 0.00 176.83 175.63 1u2j n LYS 660 N -2.74 -2.27 0.05 4.77 5.02 -0.41 -4.82 118.16 117.77 1u2j n LYS 660 Ca 0.02 0.24 0.12 0.00 -2.02 0.00 0.00 58.31 56.67 1u2j n LYS 660 Cb 0.33 -4.86 0.15 0.00 -0.02 0.00 0.00 35.03 30.63 1u2j n LYS 660 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1u2j n GLU 661 N -3.72 0.28 -3.95 1.97 4.07 -1.26 -4.74 120.64 113.30 1u2j n GLU 661 Ca 0.05 0.07 -0.18 0.00 -0.06 0.00 0.00 57.16 57.05 1u2j n GLU 661 Cb 0.49 -1.67 -0.16 0.00 -0.06 0.00 0.00 31.44 30.04 1u2j n GLU 661 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1u2j s LEU 662 N -4.15 1.14 0.32 4.31 2.96 -1.26 -4.06 118.68 117.94 1u2j s LEU 662 Ca 0.06 -0.04 0.08 0.00 -0.22 0.00 0.00 54.13 54.01 1u2j s LEU 662 Cb 0.14 -0.26 -0.06 0.00 0.50 0.00 0.00 46.19 46.50 1u2j s LEU 662 CO 0.73 -0.10 -0.08 -0.36 -1.32 0.00 0.00 176.35 175.22 1u2j s PHE 663 N 1.07 2.24 -0.05 5.38 0.40 -0.28 -1.57 117.98 125.16 1u2j s PHE 663 Ca -0.09 -0.58 0.05 0.00 -0.60 0.00 0.00 56.93 55.71 1u2j s PHE 663 Cb -0.14 -1.29 -0.01 0.00 0.51 0.00 0.00 43.02 42.10 1u2j s PHE 663 CO -0.02 0.47 -0.22 -1.21 0.70 0.00 0.00 175.22 174.94 1u2j s GLU 664 N -3.66 2.24 -0.47 0.44 2.02 -0.40 -1.96 118.70 116.92 1u2j s GLU 664 Ca 0.31 -0.77 -0.19 0.00 0.02 0.00 0.00 54.97 54.35 1u2j s GLU 664 Cb 0.03 -1.90 0.04 0.00 0.10 0.00 0.00 34.13 32.40 1u2j s GLU 664 CO 0.15 0.31 0.56 0.20 0.02 0.00 0.00 175.26 176.49 1u2j s GLY 665 N -0.04 1.82 -0.08 -1.39 0.00 0.62 -1.79 107.32 106.47 1u2j s GLY 665 Ca -0.05 -1.63 -0.12 0.00 0.00 0.00 0.00 44.72 42.92 1u2j s GLY 665 CO 0.03 1.37 0.29 -1.60 0.00 0.00 0.00 173.10 173.19 1u2j s ARG 666 N 2.44 3.82 -0.28 2.90 3.52 0.48 -0.17 118.95 131.66 1u2j s ARG 666 Ca 0.14 0.15 -0.29 0.00 -0.13 0.00 0.00 55.73 55.61 1u2j s ARG 666 Cb -0.18 -3.25 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1u2j s ARG 666 CO 0.13 0.63 1.48 0.34 -0.81 0.00 0.00 175.30 177.07 1u2j s ASP 667 N -0.75 6.45 0.54 -2.12 -1.08 0.17 -0.51 116.67 119.37 1u2j s ASP 667 Ca 0.19 1.33 0.21 0.00 -0.52 0.00 0.00 52.55 53.76 1u2j s ASP 667 Cb -0.14 -2.54 1.40 0.00 -1.46 0.00 0.00 42.92 40.18 1u2j s ASP 667 CO 0.08 -1.24 2.12 0.03 0.52 0.00 0.00 175.17 176.68 1u2j h ARG 668 N 10.31 0.00 0.18 4.34 3.08 -1.39 0.12 114.38 131.02 1u2j h ARG 668 Ca -0.30 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 1u2j h ARG 668 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1u2j h ARG 668 CO 1.03 0.00 -0.08 0.93 -1.07 0.00 0.00 179.97 180.77 1u2j h GLU 669 N 0.00 -0.23 0.00 0.04 5.08 -1.89 -3.39 114.58 114.19 1u2j h GLU 669 Ca 0.06 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1u2j h GLU 669 Cb 0.27 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1u2j h GLU 669 CO -0.00 -0.15 -0.10 1.79 -1.00 0.00 0.00 179.01 179.55 1u2j h THR 670 N -0.97 0.10 0.00 1.13 1.35 -1.91 -3.47 112.91 109.14 1u2j h THR 670 Ca -0.02 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1u2j h THR 670 Cb 0.18 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1u2j h THR 670 CO 0.04 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1u2j n GLY 671 N 1.12 3.15 3.71 5.82 0.00 0.01 -5.01 105.19 113.98 1u2j n GLY 671 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1u2j n GLY 671 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1u2j s GLU 672 N -0.30 4.22 -0.40 1.61 -1.05 -1.25 -4.55 118.70 116.98 1u2j s GLU 672 Ca 0.00 2.30 -0.27 0.00 -0.15 0.00 0.00 54.97 56.85 1u2j s GLU 672 Cb 0.00 -3.34 -0.04 0.00 -0.44 0.00 0.00 34.13 30.31 1u2j s GLU 672 CO 0.00 -0.63 2.06 0.08 0.95 0.00 0.00 175.26 177.72 1u2j s VAL 673 N 1.71 3.23 -0.08 1.83 1.01 -1.26 0.41 120.40 127.25 1u2j s VAL 673 Ca 0.71 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.96 1u2j s VAL 673 Cb -0.41 -3.40 -0.24 0.00 0.00 0.00 0.00 36.38 32.33 1u2j s VAL 673 CO 0.31 -0.32 0.52 1.17 0.00 0.00 0.00 175.10 176.78 1u2j n LYS 674 N 8.81 0.67 -4.09 2.72 3.00 0.76 -4.93 118.16 125.09 1u2j n LYS 674 Ca 0.27 0.26 -0.14 0.00 -0.00 0.00 0.00 58.31 58.71 1u2j n LYS 674 Cb 0.49 -1.74 -0.12 0.00 0.00 0.00 0.00 35.03 33.66 1u2j n LYS 674 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1u2j s PHE 675 N -2.58 0.63 0.21 5.64 0.08 -0.86 -4.97 117.98 116.13 1u2j s PHE 675 Ca -0.10 -0.39 0.09 0.00 0.12 0.00 0.00 56.93 56.65 1u2j s PHE 675 Cb 0.07 -0.38 -0.04 0.00 -0.57 0.00 0.00 43.02 42.10 1u2j s PHE 675 CO 0.81 -0.06 -0.06 0.95 -0.10 0.00 0.00 175.22 176.76 1u2j s THR 676 N -1.03 3.30 0.02 0.64 -4.23 -1.26 0.23 115.64 113.31 1u2j s THR 676 Ca -0.07 -1.75 -0.21 0.00 -1.18 0.00 0.00 61.69 58.49 1u2j s THR 676 Cb -0.08 -2.69 0.04 0.00 1.34 0.00 0.00 72.50 71.12 1u2j s THR 676 CO 0.00 -0.21 0.46 0.00 -0.54 0.00 0.00 174.62 174.33 1u2j s ALA 677 N -1.95 -1.17 0.11 3.99 0.00 -0.83 0.07 121.76 121.98 1u2j s ALA 677 Ca 0.28 0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.80 1u2j s ALA 677 Cb -0.08 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.31 1u2j s ALA 677 CO 0.17 -0.42 0.13 -1.13 0.00 0.00 0.00 175.76 174.51 1u2j n SER 678 N 0.68 0.62 0.09 0.00 3.41 -1.26 -1.13 113.62 116.03 1u2j n SER 678 Ca -0.19 -1.30 -0.03 0.00 -0.26 0.00 0.00 58.87 57.09 1u2j n SER 678 Cb 0.59 -0.06 0.19 0.00 -0.26 0.00 0.00 64.21 64.67 1u2j n SER 678 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1u2j h ARG 679 N 0.00 0.24 -0.43 4.33 3.08 -1.85 -2.25 114.38 117.49 1u2j h ARG 679 Ca -0.05 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 59.79 1u2j h ARG 679 Cb 0.24 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1u2j h ARG 679 CO 0.08 0.66 -0.08 0.00 -1.07 0.00 0.00 179.97 179.56 1u2j h ALA 680 N 1.33 1.06 0.70 0.04 0.00 -1.95 0.67 119.26 121.10 1u2j h ALA 680 Ca 0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1u2j h ALA 680 Cb 0.90 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1u2j h ALA 680 CO 0.07 0.58 -0.34 -0.44 0.00 0.00 0.00 179.25 179.13 1u2j h ASP 681 N 0.68 -0.79 1.06 0.00 3.32 -1.88 -3.35 116.42 115.45 1u2j h ASP 681 Ca 0.12 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1u2j h ASP 681 Cb 0.54 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1u2j h ASP 681 CO 0.03 -0.54 0.00 -0.07 -1.72 0.00 0.00 179.24 176.94 1u2j h LEU 682 N -0.99 0.00 -1.94 1.55 4.07 -1.31 -2.10 115.31 114.59 1u2j h LEU 682 Ca -0.10 0.00 0.16 0.00 0.08 0.00 0.00 57.88 58.02 1u2j h LEU 682 Cb 0.72 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.43 1u2j h LEU 682 CO 0.16 0.00 0.41 1.62 -1.08 0.00 0.00 178.44 179.55 1u2j h VAL 683 N 0.00 0.73 0.00 1.22 3.04 -0.99 -0.06 116.25 120.19 1u2j h VAL 683 Ca 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 1u2j h VAL 683 Cb 0.53 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 1u2j h VAL 683 CO 0.00 0.01 0.00 -0.26 -1.01 0.00 0.00 177.57 176.31 1u2j h PHE 684 N 0.06 0.00 0.00 3.17 0.04 -1.56 -1.16 116.94 117.50 1u2j h PHE 684 Ca 0.28 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.86 1u2j h PHE 684 Cb 1.03 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.14 1u2j h PHE 684 CO -0.00 0.00 -2.18 0.41 -0.60 0.00 0.00 178.31 175.94 1u2j n GLY 685 N -0.44 -0.99 0.10 -1.45 0.00 -0.13 -3.37 105.19 98.90 1u2j n GLY 685 Ca -0.01 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 1u2j n GLY 685 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u2j h SER 686 N 0.00 0.17 -3.39 1.61 4.64 -0.74 -3.46 113.55 112.38 1u2j h SER 686 Ca -0.27 -0.31 -0.55 0.00 -0.47 0.00 0.00 61.79 60.19 1u2j h SER 686 Cb 1.62 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.61 1u2j h SER 686 CO 0.01 1.27 0.20 0.21 -0.87 0.00 0.00 176.83 177.65 1u2j s ASN 687 N -6.53 7.15 0.15 4.97 2.47 -0.49 -4.97 114.94 117.69 1u2j s ASN 687 Ca -0.09 1.38 -0.31 0.00 0.42 0.00 0.00 52.86 54.27 1u2j s ASN 687 Cb 0.08 -2.47 -0.07 0.00 -1.45 0.00 0.00 41.25 37.33 1u2j s ASN 687 CO 0.82 -0.16 1.55 0.28 -3.72 0.00 0.00 177.10 175.87 1u2j h SER 688 N 6.67 -1.97 0.27 -4.21 0.02 -1.90 0.75 113.55 113.18 1u2j h SER 688 Ca -0.41 0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1u2j h SER 688 Cb 1.21 0.85 0.00 0.00 0.14 0.00 0.00 62.40 64.60 1u2j h SER 688 CO 0.75 -0.31 -0.13 0.58 -1.14 0.00 0.00 176.83 176.57 1u2j h VAL 689 N -0.19 0.78 -0.15 2.27 2.07 -1.97 -1.82 116.25 117.23 1u2j h VAL 689 Ca 0.13 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.38 1u2j h VAL 689 Cb 0.51 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1u2j h VAL 689 CO -0.78 0.07 0.13 -0.07 0.02 0.00 0.00 177.57 176.95 1u2j h LEU 690 N -0.52 0.00 -0.32 2.57 3.38 -1.85 -2.80 115.31 115.77 1u2j h LEU 690 Ca -0.04 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 1u2j h LEU 690 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1u2j h LEU 690 CO 0.06 0.00 -0.76 -0.09 0.09 0.00 0.00 178.44 177.74 1u2j h ARG 691 N 0.00 0.50 0.00 1.13 2.43 -0.01 -1.66 114.38 116.77 1u2j h ARG 691 Ca 0.07 -0.42 -0.06 0.00 -0.81 0.00 0.00 59.98 58.76 1u2j h ARG 691 Cb 0.34 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1u2j h ARG 691 CO -0.00 1.05 -0.30 0.00 -1.51 0.00 0.00 179.97 179.21 1u2j h ALA 692 N 0.83 1.47 -0.01 2.80 0.00 -1.17 -1.74 119.26 121.43 1u2j h ALA 692 Ca -0.04 -0.28 -0.23 0.00 0.00 0.00 0.00 54.91 54.37 1u2j h ALA 692 Cb 1.36 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.11 1u2j h ALA 692 CO 0.14 0.38 -0.88 0.28 0.00 0.00 0.00 179.25 179.17 1u2j h VAL 693 N 0.00 1.32 -0.24 0.00 2.07 -1.44 -2.87 116.25 115.10 1u2j h VAL 693 Ca -0.00 -2.16 -0.10 0.00 0.82 0.00 0.00 66.70 65.25 1u2j h VAL 693 Cb 0.54 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1u2j h VAL 693 CO 0.04 0.66 -0.29 0.00 0.02 0.00 0.00 177.57 178.00 1u2j h ALA 694 N 0.39 1.05 -0.39 1.67 0.00 -1.02 -2.07 119.26 118.89 1u2j h ALA 694 Ca -0.11 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 1u2j h ALA 694 Cb 1.55 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1u2j h ALA 694 CO 0.17 0.58 -0.31 1.05 0.00 0.00 0.00 179.25 180.74 1u2j h GLU 695 N 0.41 0.90 -1.00 0.00 4.11 -1.39 -0.40 114.58 117.20 1u2j h GLU 695 Ca 0.05 -0.45 0.21 0.00 0.07 0.00 0.00 59.36 59.25 1u2j h GLU 695 Cb 0.73 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.87 1u2j h GLU 695 CO 0.06 1.10 0.61 0.28 0.07 0.00 0.00 179.01 181.12 1u2j h VAL 696 N 0.71 0.64 0.00 -1.06 2.07 -1.18 -1.45 116.25 115.99 1u2j h VAL 696 Ca 0.07 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1u2j h VAL 696 Cb 0.90 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1u2j h VAL 696 CO 0.08 0.12 -0.38 1.88 0.02 0.00 0.00 177.57 179.29 1u2j h TYR 697 N 0.67 0.00 -0.50 1.57 0.05 -0.73 -3.28 116.97 114.75 1u2j h TYR 697 Ca 0.60 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.38 1u2j h TYR 697 Cb 1.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.79 1u2j h TYR 697 CO -0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.11 1u2j n ALA 698 N -2.03 2.41 -1.79 3.88 0.00 -0.22 -4.70 120.51 118.06 1u2j n ALA 698 Ca 0.03 -1.09 -0.29 0.00 0.00 0.00 0.00 53.44 52.09 1u2j n ALA 698 Cb 0.50 -0.90 0.13 0.00 0.00 0.00 0.00 19.45 19.19 1u2j n ALA 698 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1u2j s SER 699 N -1.34 3.71 0.11 0.00 0.01 -1.02 -4.66 113.70 110.50 1u2j s SER 699 Ca 0.42 0.66 -0.16 0.00 1.31 0.00 0.00 55.95 58.18 1u2j s SER 699 Cb 0.24 -1.03 -0.05 0.00 0.21 0.00 0.00 66.02 65.39 1u2j s SER 699 CO 0.33 -2.39 1.54 0.77 0.41 0.00 0.00 173.24 173.89 1u2j h SER 700 N -1.40 0.60 1.22 2.44 4.64 -1.93 -3.04 113.55 116.10 1u2j h SER 700 Ca -0.46 -0.32 -0.14 0.00 -0.47 0.00 0.00 61.79 60.39 1u2j h SER 700 Cb 1.30 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 1u2j h SER 700 CO 0.55 0.78 -0.80 -2.24 -0.87 0.00 0.00 176.83 174.25 1u2j h ASP 701 N 0.41 0.00 0.00 4.97 2.03 -1.96 -3.41 116.42 118.46 1u2j h ASP 701 Ca 0.09 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 1u2j h ASP 701 Cb 0.48 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.98 1u2j h ASP 701 CO 0.02 0.64 0.00 0.00 -1.03 0.00 0.00 179.24 178.87 1u2j n ALA 702 N -2.29 2.09 -0.27 4.15 0.00 -1.15 -3.84 120.51 119.19 1u2j n ALA 702 Ca -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 53.44 53.35 1u2j n ALA 702 Cb 0.81 -1.09 0.06 0.00 0.00 0.00 0.00 19.45 19.23 1u2j n ALA 702 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1u2j h HIS 703 N 0.00 0.97 -0.63 0.00 2.76 -1.81 -1.27 115.15 115.17 1u2j h HIS 703 Ca 0.00 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1u2j h HIS 703 Cb 0.00 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 28.61 1u2j h HIS 703 CO 0.00 0.64 0.26 0.93 -1.30 0.00 0.00 177.93 178.46 1u2j h GLU 704 N 1.02 0.94 -0.46 5.26 5.08 -1.98 -2.68 114.58 121.76 1u2j h GLU 704 Ca 0.27 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1u2j h GLU 704 Cb -0.06 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 28.99 1u2j h GLU 704 CO -0.05 0.79 0.22 -0.22 -1.00 0.00 0.00 179.01 178.74 1u2j h LYS 705 N 0.89 0.42 -0.26 2.33 3.11 -1.71 -2.74 116.57 118.60 1u2j h LYS 705 Ca 0.21 -0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 57.95 1u2j h LYS 705 Cb 0.19 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.32 1u2j h LYS 705 CO -0.02 0.28 -0.13 0.35 -2.81 0.00 0.00 179.45 177.12 1u2j h PHE 706 N 0.43 0.63 -0.91 1.91 3.57 -1.04 -0.68 116.94 120.85 1u2j h PHE 706 Ca 0.20 -0.16 0.09 0.00 3.53 0.00 0.00 57.97 61.64 1u2j h PHE 706 Cb 0.13 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.65 1u2j h PHE 706 CO -0.11 0.80 0.56 0.28 -2.23 0.00 0.00 178.31 177.60 1u2j h VAL 707 N 0.28 0.96 -0.31 1.41 2.07 -1.53 0.27 116.25 119.39 1u2j h VAL 707 Ca 0.06 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 1u2j h VAL 707 Cb 0.63 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1u2j h VAL 707 CO 0.04 0.17 -0.24 0.50 0.02 0.00 0.00 177.57 178.06 1u2j h LYS 708 N 0.94 0.71 0.00 1.57 3.64 -1.18 0.10 116.57 122.35 1u2j h LYS 708 Ca 0.43 -0.35 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 1u2j h LYS 708 Cb 0.35 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1u2j h LYS 708 CO -0.23 0.96 -0.49 -0.44 -2.27 0.00 0.00 179.45 176.98 1u2j h ASP 709 N 0.47 0.00 -0.07 4.20 3.45 -0.86 -1.23 116.42 122.39 1u2j h ASP 709 Ca 0.06 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.38 1u2j h ASP 709 Cb 0.80 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.58 1u2j h ASP 709 CO 0.06 0.49 -0.50 0.15 -1.57 0.00 0.00 179.24 177.87 1u2j h PHE 710 N 0.00 0.63 -0.22 4.55 3.57 -0.13 -1.79 116.94 123.55 1u2j h PHE 710 Ca -0.00 -0.30 0.02 0.00 3.53 0.00 0.00 57.97 61.22 1u2j h PHE 710 Cb 1.06 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 1u2j h PHE 710 CO 0.00 1.08 0.08 0.28 -2.23 0.00 0.00 178.31 177.51 1u2j h VAL 711 N 0.01 0.94 -0.68 1.41 2.07 -0.73 0.31 116.25 119.58 1u2j h VAL 711 Ca -0.04 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1u2j h VAL 711 Cb 1.16 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1u2j h VAL 711 CO 0.10 0.03 0.34 0.00 0.02 0.00 0.00 177.57 178.06 1u2j h ALA 712 N 1.14 0.88 -0.37 1.67 0.00 -1.23 0.31 119.26 121.67 1u2j h ALA 712 Ca 0.10 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1u2j h ALA 712 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1u2j h ALA 712 CO -0.10 0.43 -0.31 0.00 0.00 0.00 0.00 179.25 179.27 1u2j h ALA 713 N 1.16 0.53 -0.47 0.00 0.00 -1.15 -0.65 119.26 118.68 1u2j h ALA 713 Ca 0.24 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1u2j h ALA 713 Cb 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1u2j h ALA 713 CO -0.03 0.58 0.23 2.35 0.00 0.00 0.00 179.25 182.38 1u2j h TRP 714 N 0.66 0.43 -0.41 0.00 2.91 -0.11 -1.18 115.95 118.24 1u2j h TRP 714 Ca 0.06 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 60.03 1u2j h TRP 714 Cb 0.90 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.40 1u2j h TRP 714 CO 0.06 0.21 -0.07 0.28 -1.03 0.00 0.00 178.44 177.90 1u2j h VAL 715 N 0.46 1.24 0.17 2.65 2.07 -0.19 -2.19 116.25 120.46 1u2j h VAL 715 Ca 0.21 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.69 1u2j h VAL 715 Cb 0.12 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1u2j h VAL 715 CO -0.15 0.36 -0.24 0.50 0.02 0.00 0.00 177.57 178.06 1u2j h LYS 716 N 0.65 -0.45 -0.24 1.57 3.64 -0.60 -1.89 116.57 119.25 1u2j h LYS 716 Ca 0.12 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1u2j h LYS 716 Cb 0.50 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1u2j h LYS 716 CO 0.03 -0.30 0.16 0.28 -2.27 0.00 0.00 179.45 177.35 1u2j h VAL 717 N -0.46 1.07 -0.42 2.00 2.07 -1.13 -2.68 116.25 116.68 1u2j h VAL 717 Ca 0.01 -0.12 0.12 0.00 0.82 0.00 0.00 66.70 67.53 1u2j h VAL 717 Cb 0.46 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1u2j h VAL 717 CO -0.10 0.06 0.31 0.24 0.02 0.00 0.00 177.57 178.10 1u2j h MET 718 N 0.33 0.00 -0.60 1.57 2.86 -0.88 -1.42 114.93 116.79 1u2j h MET 718 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1u2j h MET 718 Cb -0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1u2j h MET 718 CO -0.02 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.04 1u2j n ASN 719 N -4.39 4.26 -0.15 1.22 3.02 -0.76 -4.64 115.26 113.82 1u2j n ASN 719 Ca 0.07 -2.33 -0.05 0.00 -0.03 0.00 0.00 54.58 52.24 1u2j n ASN 719 Cb 0.50 -0.51 0.04 0.00 -0.61 0.00 0.00 39.78 39.20 1u2j n ASN 719 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1u2j h LEU 720 N 3.66 0.35 -1.25 3.41 3.38 -1.11 -1.29 115.31 122.46 1u2j h LEU 720 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1u2j h LEU 720 Cb 1.25 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1u2j h LEU 720 CO 0.15 0.25 0.00 -0.90 0.09 0.00 0.00 178.44 178.02 1u2j n ASP 721 N -4.89 1.82 -3.63 -0.43 5.75 -1.26 -4.60 116.55 109.31 1u2j n ASP 721 Ca 0.03 -1.97 -0.41 0.00 -0.01 0.00 0.00 54.79 52.43 1u2j n ASP 721 Cb 0.11 -0.22 -0.01 0.00 -1.03 0.00 0.00 41.12 39.98 1u2j n ASP 721 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1u2j n ARG 722 N 0.49 3.46 -0.35 0.11 5.12 -0.49 -4.71 116.66 120.29 1u2j n ARG 722 Ca 0.12 -2.83 -0.03 0.00 -1.93 0.00 0.00 57.85 53.18 1u2j n ARG 722 Cb 0.29 -3.00 0.10 0.00 -1.16 0.00 0.00 32.46 28.69 1u2j n ARG 722 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 1u2j h PHE 723 N 5.52 1.21 0.00 -1.55 0.04 -1.85 -2.43 116.94 117.87 1u2j h PHE 723 Ca 0.62 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.41 1u2j h PHE 723 Cb 0.51 -0.40 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1u2j h PHE 723 CO 1.53 0.78 0.00 0.38 -0.60 0.00 0.00 178.31 180.40 1u2j h ASP 724 N 1.28 0.00 -4.27 2.17 3.04 -2.00 -3.44 116.42 113.21 1u2j h ASP 724 Ca 0.34 0.00 -0.24 0.00 -3.24 0.00 0.00 57.03 53.89 1u2j h ASP 724 Cb -0.11 0.00 0.10 0.00 -1.04 0.00 0.00 39.33 38.28 1u2j h ASP 724 CO -0.07 0.00 -0.47 -0.11 -2.04 0.00 0.00 179.24 176.55 1u2j n LEU 725 N -2.38 -3.09 0.00 0.15 0.00 -0.92 -5.27 117.00 105.49 1u2j n LEU 725 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 56.01 55.62 1u2j n LEU 725 Cb 0.07 -2.19 0.00 0.00 0.00 0.00 0.00 43.42 41.30 1u2j n LEU 725 CO 0.13 0.36 0.00 -0.11 0.00 0.00 0.00 177.39 177.77