#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 1.29 -3.54 1.96 2.10 -2.03 -3.39 117.51 113.89 1u2j h ILE 433 Ca 0.00 -3.03 -0.59 0.00 1.08 0.00 0.00 64.86 62.32 1u2j h ILE 433 Cb 0.00 2.69 -0.38 0.00 -1.09 0.00 0.00 36.82 38.03 1u2j h ILE 433 CO 0.00 0.78 -0.78 0.86 -1.08 0.00 0.00 178.15 177.92 1u2j s TRP 434 N -2.65 2.11 -0.08 2.19 -0.11 -1.26 -5.12 118.94 114.02 1u2j s TRP 434 Ca -0.04 -1.55 0.04 0.00 1.22 0.00 0.00 56.10 55.78 1u2j s TRP 434 Cb 0.08 -1.47 -0.01 0.00 -1.50 0.00 0.00 33.47 30.58 1u2j s TRP 434 CO 0.83 -0.73 -0.21 -1.14 -4.62 0.00 0.00 176.95 171.07 1u2j s GLN 435 N 1.49 2.80 -0.00 5.86 -0.44 -1.26 -4.97 119.66 123.14 1u2j s GLN 435 Ca -0.04 -0.83 -0.30 0.00 -2.50 0.00 0.00 55.36 51.68 1u2j s GLN 435 Cb -0.18 -2.30 -0.05 0.00 -1.64 0.00 0.00 33.01 28.84 1u2j s GLN 435 CO -0.07 0.34 1.26 -0.51 0.50 0.00 0.00 175.29 176.82 1u2j s ASP 436 N -0.04 6.99 0.25 6.67 1.01 -1.26 -5.00 116.67 125.30 1u2j s ASP 436 Ca -0.06 1.97 -0.30 0.00 0.71 0.00 0.00 52.55 54.87 1u2j s ASP 436 Cb -0.15 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.13 1u2j s ASP 436 CO 0.05 -0.59 0.96 -2.16 0.21 0.00 0.00 175.17 173.64 1u2j s PRO 437 N 1.90 4.81 -0.05 8.23 0.04 -1.26 -5.06 135.00 143.61 1u2j s PRO 437 Ca 0.59 1.53 0.06 0.00 0.04 0.00 0.00 61.00 63.22 1u2j s PRO 437 Cb -0.28 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.01 1u2j s PRO 437 CO 0.25 0.46 -0.24 -0.51 0.04 0.00 0.00 177.00 177.01 1u2j s LEU 438 N -1.28 2.16 0.69 -3.56 1.02 -1.26 -4.89 118.68 111.56 1u2j s LEU 438 Ca 0.42 -0.47 -0.16 0.00 0.02 0.00 0.00 54.13 53.95 1u2j s LEU 438 Cb -0.26 -1.40 0.02 0.00 0.02 0.00 0.00 46.19 44.57 1u2j s LEU 438 CO 0.33 0.26 1.18 -2.16 0.02 0.00 0.00 176.35 175.98 1u2j s PRO 439 N -0.27 2.46 0.44 1.29 0.04 -1.26 -5.04 135.00 132.66 1u2j s PRO 439 Ca -0.00 1.65 -0.25 0.00 0.04 0.00 0.00 61.00 62.45 1u2j s PRO 439 Cb -0.13 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 1u2j s PRO 439 CO 0.03 -1.56 1.30 -1.14 0.04 0.00 0.00 177.00 175.66 1u2j s GLN 440 N -3.88 3.78 0.80 4.56 2.00 -1.26 -4.90 119.66 120.76 1u2j s GLN 440 Ca 0.72 2.13 -0.15 0.00 -2.00 0.00 0.00 55.36 56.06 1u2j s GLN 440 Cb -0.26 -2.61 -0.02 0.00 0.80 0.00 0.00 33.01 30.91 1u2j s GLN 440 CO 0.42 -0.64 0.42 -2.30 -0.50 0.00 0.00 175.29 172.69 1u2j n PRO 441 N -0.19 0.10 0.00 1.67 -0.02 -1.26 -4.94 135.00 130.35 1u2j n PRO 441 Ca 0.05 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1u2j n PRO 441 Cb 0.44 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1u2j n PRO 441 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1u2j n ILE 442 N -2.77 0.00 -4.75 4.25 5.41 -1.26 -5.05 119.36 115.20 1u2j n ILE 442 Ca 0.08 -0.22 -0.24 0.00 1.00 0.00 0.00 62.75 63.38 1u2j n ILE 442 Cb 0.51 0.89 -0.16 0.00 -0.71 0.00 0.00 39.64 40.18 1u2j n ILE 442 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1u2j s TYR 443 N -0.58 1.48 -0.55 1.39 1.51 -1.26 -5.06 117.35 114.28 1u2j s TYR 443 Ca 0.00 -0.34 0.04 0.00 -1.01 0.00 0.00 57.07 55.76 1u2j s TYR 443 Cb 0.00 -0.98 0.14 0.00 -0.11 0.00 0.00 41.96 41.01 1u2j s TYR 443 CO 0.00 -0.08 0.31 1.21 -1.11 0.00 0.00 175.55 175.88 1u2j s ASN 444 N -0.19 4.30 0.26 2.29 3.84 -1.26 -4.88 114.94 119.31 1u2j s ASN 444 Ca 0.02 -3.16 -0.30 0.00 0.21 0.00 0.00 52.86 49.64 1u2j s ASN 444 Cb -0.08 -1.55 -0.10 0.00 -0.55 0.00 0.00 41.25 38.97 1u2j s ASN 444 CO 0.00 -0.20 1.33 -2.16 -2.79 0.00 0.00 177.10 173.28 1u2j s PRO 445 N -0.47 4.36 0.66 0.43 0.04 -1.22 -5.04 135.00 133.76 1u2j s PRO 445 Ca 0.19 2.16 -0.08 0.00 0.04 0.00 0.00 61.00 63.31 1u2j s PRO 445 Cb -0.21 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.23 1u2j s PRO 445 CO -0.04 -0.25 1.00 0.95 0.04 0.00 0.00 177.00 178.70 1u2j s THR 446 N -0.42 3.33 0.14 1.26 -4.23 -1.26 -4.89 115.64 109.57 1u2j s THR 446 Ca 0.54 0.14 -0.30 0.00 -1.18 0.00 0.00 61.69 60.89 1u2j s THR 446 Cb -0.39 -3.38 -0.07 0.00 1.34 0.00 0.00 72.50 70.00 1u2j s THR 446 CO 0.45 -0.44 1.51 -0.33 -0.54 0.00 0.00 174.62 175.27 1u2j h GLU 447 N -0.45 -0.08 -0.88 3.99 4.39 -1.99 0.17 114.58 119.73 1u2j h GLU 447 Ca -0.45 0.01 0.18 0.00 0.34 0.00 0.00 59.36 59.44 1u2j h GLU 447 Cb 1.27 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.87 1u2j h GLU 447 CO 0.62 -0.05 0.58 0.37 -1.16 0.00 0.00 179.01 179.37 1u2j h GLN 448 N -0.08 0.46 -0.37 2.33 5.75 -1.99 0.42 115.11 121.62 1u2j h GLN 448 Ca 0.13 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.53 1u2j h GLN 448 Cb 0.43 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 1u2j h GLN 448 CO -0.82 0.30 -0.07 -0.44 -2.65 0.00 0.00 178.83 175.16 1u2j h ASP 449 N 0.47 0.69 -0.92 -0.69 3.45 -1.44 -1.38 116.42 116.61 1u2j h ASP 449 Ca 0.46 -0.35 0.02 0.00 0.43 0.00 0.00 57.03 57.58 1u2j h ASP 449 Cb 1.03 -0.19 -0.05 0.00 -0.56 0.00 0.00 39.33 39.57 1u2j h ASP 449 CO -0.18 0.88 0.61 0.40 -1.57 0.00 0.00 179.24 179.38 1u2j h ILE 450 N 0.49 1.21 -0.18 0.35 1.08 0.26 0.49 117.51 121.21 1u2j h ILE 450 Ca 0.10 -0.42 -0.17 0.00 -0.39 0.00 0.00 64.86 63.98 1u2j h ILE 450 Cb 0.57 -0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.21 1u2j h ILE 450 CO 0.03 0.22 -0.54 0.40 -0.69 0.00 0.00 178.15 177.57 1u2j h ILE 451 N 1.22 1.31 -0.34 -0.67 2.04 -0.96 0.58 117.51 120.70 1u2j h ILE 451 Ca 0.35 -1.77 0.06 0.00 1.00 0.00 0.00 64.86 64.49 1u2j h ILE 451 Cb -0.10 1.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 1u2j h ILE 451 CO -0.08 0.55 0.02 0.44 0.00 0.00 0.00 178.15 179.08 1u2j h ASP 452 N 0.39 -0.09 -0.63 1.72 3.32 -0.88 -1.87 116.42 118.37 1u2j h ASP 452 Ca -0.02 0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1u2j h ASP 452 Cb 1.16 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 1u2j h ASP 452 CO 0.12 -0.01 0.04 -0.07 -1.72 0.00 0.00 179.24 177.59 1u2j h LEU 453 N 0.12 1.05 -0.93 1.55 3.38 -0.66 -0.61 115.31 119.21 1u2j h LEU 453 Ca 0.16 -0.29 0.12 0.00 0.09 0.00 0.00 57.88 57.97 1u2j h LEU 453 Cb 0.21 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.59 1u2j h LEU 453 CO -0.26 1.08 0.56 0.11 0.09 0.00 0.00 178.44 180.03 1u2j h LYS 454 N 0.99 0.84 -0.10 1.13 1.57 -0.69 0.57 116.57 120.88 1u2j h LYS 454 Ca 0.18 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1u2j h LYS 454 Cb 0.52 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1u2j h LYS 454 CO 0.03 0.55 -0.22 0.35 -0.57 0.00 0.00 179.45 179.59 1u2j h PHE 455 N 0.86 0.42 -0.05 -1.35 3.57 -0.50 0.47 116.94 120.37 1u2j h PHE 455 Ca 0.47 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.83 1u2j h PHE 455 Cb 0.52 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1u2j h PHE 455 CO -0.03 0.83 0.04 0.00 -2.23 0.00 0.00 178.31 176.91 1u2j h ALA 456 N 0.51 1.91 0.11 2.41 0.00 -0.68 0.37 119.26 123.89 1u2j h ALA 456 Ca 0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.64 1u2j h ALA 456 Cb 0.81 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1u2j h ALA 456 CO 0.05 -0.06 -1.19 0.82 0.00 0.00 0.00 179.25 178.87 1u2j h ILE 457 N 0.00 1.39 0.00 0.00 2.04 -0.69 -2.94 117.51 117.32 1u2j h ILE 457 Ca 0.02 -2.71 -0.03 0.00 1.00 0.00 0.00 64.86 63.14 1u2j h ILE 457 Cb 0.09 2.76 -0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1u2j h ILE 457 CO -0.00 0.81 -0.14 0.00 0.00 0.00 0.00 178.15 178.82 1u2j h ALA 458 N 0.50 1.06 -0.01 1.87 0.00 0.63 -2.45 119.26 120.86 1u2j h ALA 458 Ca -0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1u2j h ALA 458 Cb 1.88 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1u2j h ALA 458 CO 0.21 0.17 -0.21 -3.47 0.00 0.00 0.00 179.25 175.95 1u2j n ASP 459 N -3.34 1.17 0.05 0.00 2.03 0.12 -4.56 116.55 112.01 1u2j n ASP 459 Ca -0.00 -1.04 0.13 0.00 0.52 0.00 0.00 54.79 54.40 1u2j n ASP 459 Cb 0.35 0.12 0.39 0.00 -0.72 0.00 0.00 41.12 41.26 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 -0.45 0.51 0.00 1.67 3.41 -0.92 -4.91 113.62 112.93 1u2j n SER 460 Ca 0.13 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1u2j n SER 460 Cb 0.36 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 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 1.40 1.09 3.73 5.00 0.00 -1.26 -5.04 105.19 110.11 1u2j n GLY 461 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 4.46 0.67 0.99 1.43 -1.26 -5.03 118.68 119.95 1u2j s LEU 462 Ca 0.00 2.05 -0.15 0.00 -1.03 0.00 0.00 54.13 55.00 1u2j s LEU 462 Cb 0.00 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.63 1u2j s LEU 462 CO 0.00 -0.26 1.11 -0.94 0.23 0.00 0.00 176.35 176.49 1u2j s SER 463 N 0.15 5.00 0.18 2.29 1.04 -1.26 -4.81 113.70 116.29 1u2j s SER 463 Ca 0.51 2.00 -0.13 0.00 0.48 0.00 0.00 55.95 58.82 1u2j s SER 463 Cb -0.29 -2.55 0.19 0.00 0.10 0.00 0.00 66.02 63.47 1u2j s SER 463 CO 0.33 -1.70 1.18 0.52 0.98 0.00 0.00 173.24 174.55 1u2j n VAL 464 N -2.53 -0.40 -0.23 5.02 0.31 -1.26 -0.20 118.33 119.05 1u2j n VAL 464 Ca 0.10 1.78 -0.06 0.00 -0.01 0.00 0.00 64.34 66.16 1u2j n VAL 464 Cb 0.52 -2.36 0.05 0.00 -0.91 0.00 0.00 33.84 31.14 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 0.73 -0.32 4.52 0.87 -1.88 0.55 113.55 118.01 1u2j h SER 465 Ca 0.27 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.68 1u2j h SER 465 Cb 0.46 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1u2j h SER 465 CO -0.76 0.53 -0.27 -0.33 -0.53 0.00 0.00 176.83 175.47 1u2j h GLU 466 N 0.86 0.83 -0.19 2.24 5.08 -1.36 -1.53 114.58 120.50 1u2j h GLU 466 Ca 0.24 -0.37 -0.21 0.00 -1.00 0.00 0.00 59.36 58.01 1u2j h GLU 466 Cb -0.09 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.14 1u2j h GLU 466 CO -0.05 1.00 -0.72 -0.07 -1.00 0.00 0.00 179.01 178.17 1u2j h LEU 467 N 0.71 0.96 -0.34 1.33 3.38 0.60 -3.05 115.31 118.90 1u2j h LEU 467 Ca 0.09 -0.60 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 1u2j h LEU 467 Cb 0.81 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1u2j h LEU 467 CO 0.07 1.40 0.11 0.58 0.09 0.00 0.00 178.44 180.69 1u2j h VAL 468 N 0.58 1.20 0.53 1.22 2.07 0.12 -3.05 116.25 118.93 1u2j h VAL 468 Ca -0.03 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 1u2j h VAL 468 Cb 1.34 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1u2j h VAL 468 CO 0.15 0.23 -0.26 0.28 0.02 0.00 0.00 177.57 177.99 1u2j h SER 469 N 0.41 -0.62 -0.84 0.57 0.02 -1.28 -1.41 113.55 110.39 1u2j h SER 469 Ca 0.11 0.02 0.25 0.00 -0.84 0.00 0.00 61.79 61.34 1u2j h SER 469 Cb 0.24 0.16 -0.16 0.00 0.14 0.00 0.00 62.40 62.78 1u2j h SER 469 CO -0.00 -0.44 0.09 0.52 -1.14 0.00 0.00 176.83 175.86 1u2j n VAL 470 N -3.95 -0.35 -0.09 2.27 0.31 -1.15 0.20 118.33 115.56 1u2j n VAL 470 Ca -0.09 1.83 -0.14 0.00 -0.01 0.00 0.00 64.34 65.93 1u2j n VAL 470 Cb 0.28 -2.72 -0.03 0.00 -0.91 0.00 0.00 33.84 30.46 1u2j n VAL 470 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u2j h ALA 471 N 1.69 0.52 -0.04 3.52 0.00 -1.40 -1.32 119.26 122.22 1u2j h ALA 471 Ca 0.55 -0.49 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 1u2j h ALA 471 Cb 1.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1u2j h ALA 471 CO -0.77 0.68 -0.78 2.35 0.00 0.00 0.00 179.25 180.73 1u2j h TRP 472 N 0.70 0.46 -0.65 0.00 2.91 0.56 -1.56 115.95 118.37 1u2j h TRP 472 Ca 0.03 -0.22 0.06 0.00 1.13 0.00 0.00 58.89 59.89 1u2j h TRP 472 Cb 1.09 -0.07 -0.06 0.00 -0.51 0.00 0.00 29.16 29.62 1u2j h TRP 472 CO 0.07 0.99 0.35 0.00 -1.03 0.00 0.00 178.44 178.82 1u2j h ALA 473 N 0.94 0.87 -0.12 2.65 0.00 0.24 -2.06 119.26 121.78 1u2j h ALA 473 Ca -0.04 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 1u2j h ALA 473 Cb 1.37 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1u2j h ALA 473 CO 0.13 0.01 -0.71 1.03 0.00 0.00 0.00 179.25 179.71 1u2j h SER 474 N 0.64 0.84 1.20 0.00 0.87 -1.13 -3.32 113.55 112.65 1u2j h SER 474 Ca 0.30 -0.65 -0.13 0.00 -1.23 0.00 0.00 61.79 60.08 1u2j h SER 474 Cb 0.21 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1u2j h SER 474 CO -0.19 1.35 -0.61 0.00 -0.53 0.00 0.00 176.83 176.84 1u2j h ALA 475 N 0.51 0.66 -0.22 6.23 0.00 -1.15 -3.26 119.26 122.02 1u2j h ALA 475 Ca -0.05 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1u2j h ALA 475 Cb 1.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1u2j h ALA 475 CO 0.15 0.77 0.00 -1.13 0.00 0.00 0.00 179.25 179.03 1u2j n SER 476 N -3.34 1.40 -0.42 0.00 3.41 -0.79 -3.39 113.62 110.50 1u2j n SER 476 Ca 0.01 -1.88 0.14 0.00 -0.26 0.00 0.00 58.87 56.88 1u2j n SER 476 Cb 0.74 -0.15 0.57 0.00 -0.26 0.00 0.00 64.21 65.11 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 0.22 0.01 -2.41 6.66 -2.24 -1.26 -4.92 114.28 110.34 1u2j n THR 477 Ca 0.11 -0.22 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 1u2j n THR 477 Cb 0.24 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.99 3.44 -0.33 4.78 5.36 -1.22 -4.20 117.98 123.83 1u2j s PHE 478 Ca 0.39 1.33 -0.09 0.00 -0.96 0.00 0.00 56.93 57.60 1u2j s PHE 478 Cb 0.21 -3.42 0.01 0.00 -0.34 0.00 0.00 43.02 39.48 1u2j s PHE 478 CO 0.33 -1.25 0.15 1.03 -1.46 0.00 0.00 175.22 174.02 1u2j s ARG 479 N 0.78 3.10 0.55 10.12 1.81 0.57 -4.03 118.95 131.84 1u2j s ARG 479 Ca 0.57 -0.88 -0.20 0.00 -1.72 0.00 0.00 55.73 53.50 1u2j s ARG 479 Cb -0.30 -3.57 -0.05 0.00 -0.45 0.00 0.00 34.95 30.59 1u2j s ARG 479 CO 0.31 -0.52 1.24 0.20 -0.68 0.00 0.00 175.30 175.85 1u2j s GLY 480 N 1.56 2.80 0.00 -3.53 0.00 0.10 -1.12 107.32 107.13 1u2j s GLY 480 Ca 0.03 1.10 0.00 0.00 0.00 0.00 0.00 44.72 45.85 1u2j s GLY 480 CO 0.05 1.54 0.00 0.61 0.00 0.00 0.00 173.10 175.30 1u2j n GLY 481 N 0.58 1.92 0.32 0.20 0.00 -1.26 -4.31 105.19 102.64 1u2j n GLY 481 Ca 0.11 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 0.09 -6.30 1.61 3.32 -2.00 -3.47 116.42 109.67 1u2j h ASP 482 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 1u2j h ASP 482 Cb 0.00 -0.02 -0.11 0.00 0.22 0.00 0.00 39.33 39.42 1u2j h ASP 482 CO 0.00 0.06 -0.75 0.29 -1.72 0.00 0.00 179.24 177.12 1u2j n LYS 483 N -4.46 -4.26 -3.37 3.56 5.02 -0.27 -4.74 118.16 109.63 1u2j n LYS 483 Ca 0.04 0.49 -0.19 0.00 -2.02 0.00 0.00 58.31 56.64 1u2j n LYS 483 Cb 0.33 -5.30 -0.01 0.00 -0.02 0.00 0.00 35.03 30.03 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 -6.63 2.91 0.04 1.97 0.52 -1.23 -4.94 118.95 111.59 1u2j s ARG 484 Ca 0.65 -1.18 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 1u2j s ARG 484 Cb -0.34 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.42 1u2j s ARG 484 CO 0.80 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 176.47 1u2j n GLY 485 N -1.66 -1.50 0.00 -3.53 0.00 -1.26 -0.32 105.19 96.92 1u2j n GLY 485 Ca 0.03 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.67 0.08 0.13 -0.02 0.00 -1.26 -4.61 105.19 97.85 1u2j n GLY 486 Ca -0.00 -2.30 0.05 0.00 0.00 0.00 0.00 46.02 43.77 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 0.68 -2.93 4.61 0.00 -1.76 -3.42 119.26 116.44 1u2j h ALA 487 Ca 0.00 -0.41 -0.53 0.00 0.00 0.00 0.00 54.91 53.97 1u2j h ALA 487 Cb 0.00 0.06 0.10 0.00 0.00 0.00 0.00 17.79 17.95 1u2j h ALA 487 CO 0.00 0.48 0.71 1.21 0.00 0.00 0.00 179.25 181.66 1u2j s ASN 488 N -5.99 6.32 0.00 0.00 2.47 -1.26 -2.59 114.94 113.89 1u2j s ASN 488 Ca 0.01 2.90 0.00 0.00 0.42 0.00 0.00 52.86 56.19 1u2j s ASN 488 Cb 0.08 -2.66 0.00 0.00 -1.45 0.00 0.00 41.25 37.22 1u2j s ASN 488 CO 0.76 -0.87 0.00 0.61 -3.72 0.00 0.00 177.10 173.88 1u2j n GLY 489 N 0.58 2.21 4.17 1.21 0.00 -0.05 -4.46 105.19 108.86 1u2j n GLY 489 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.67 -1.59 0.33 4.61 0.00 -1.07 0.33 120.51 121.45 1u2j n ALA 490 Ca 0.00 -0.16 0.15 0.00 0.00 0.00 0.00 53.44 53.43 1u2j n ALA 490 Cb 0.00 -2.44 0.63 0.00 0.00 0.00 0.00 19.45 17.64 1u2j n ALA 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u2j h ARG 491 N -1.60 0.00 -0.94 0.00 3.08 -1.82 -2.23 114.38 110.87 1u2j h ARG 491 Ca -0.61 0.00 0.23 0.00 0.07 0.00 0.00 59.98 59.67 1u2j h ARG 491 Cb 1.38 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.31 1u2j h ARG 491 CO 0.73 0.00 0.47 1.25 -1.07 0.00 0.00 179.97 181.35 1u2j h LEU 492 N 0.00 0.46 -1.14 3.04 5.85 -1.90 0.27 115.31 121.89 1u2j h LEU 492 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1u2j h LEU 492 Cb 0.35 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1u2j h LEU 492 CO 0.00 0.03 0.00 0.00 -0.34 0.00 0.00 178.44 178.13 1u2j h ALA 493 N 1.72 1.00 -2.19 1.25 0.00 -1.77 -3.04 119.26 116.23 1u2j h ALA 493 Ca 0.60 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 55.04 1u2j h ALA 493 Cb 1.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1u2j h ALA 493 CO -0.51 0.00 -0.45 -0.51 0.00 0.00 0.00 179.25 177.78 1u2j s LEU 494 N -5.33 4.24 0.59 0.00 1.43 0.97 -4.80 118.68 115.77 1u2j s LEU 494 Ca 0.02 0.02 -0.20 0.00 -1.03 0.00 0.00 54.13 52.94 1u2j s LEU 494 Cb 0.09 -2.78 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 1u2j s LEU 494 CO 0.46 -0.06 1.32 -0.04 0.23 0.00 0.00 176.35 178.25 1u2j s MET 495 N -3.95 2.90 0.05 1.70 -1.94 -1.26 -1.22 119.30 115.57 1u2j s MET 495 Ca 0.34 2.13 0.27 0.00 -1.71 0.00 0.00 55.69 56.72 1u2j s MET 495 Cb -0.09 -2.07 0.97 0.00 2.01 0.00 0.00 34.83 35.65 1u2j s MET 495 CO 0.28 -1.34 1.77 -0.35 -0.01 0.00 0.00 175.02 175.37 1u2j n PRO 496 N -1.41 0.07 0.09 2.03 -0.04 -1.26 -4.87 135.00 129.61 1u2j n PRO 496 Ca 0.13 0.04 0.15 0.00 -0.04 0.00 0.00 63.50 63.78 1u2j n PRO 496 Cb 0.47 -1.57 0.65 0.00 -0.04 0.00 0.00 33.50 33.01 1u2j n PRO 496 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1u2j h GLN 497 N 0.00 0.03 0.00 0.54 4.20 -1.35 -1.83 115.11 116.70 1u2j h GLN 497 Ca 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u2j h GLN 497 Cb 0.56 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1u2j h GLN 497 CO 0.00 0.02 0.00 -2.13 -0.67 0.00 0.00 178.83 176.05 1u2j n ARG 498 N -4.45 0.11 0.00 1.46 0.63 -0.42 -2.46 116.66 111.53 1u2j n ARG 498 Ca 0.05 0.18 0.03 0.00 -0.92 0.00 0.00 57.85 57.18 1u2j n ARG 498 Cb 0.39 -1.50 -0.01 0.00 0.45 0.00 0.00 32.46 31.78 1u2j n ARG 498 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1u2j n ASP 499 N -1.40 0.69 -4.66 6.15 8.00 -0.69 -4.87 116.55 119.77 1u2j n ASP 499 Ca 0.06 -0.85 -0.42 0.00 0.71 0.00 0.00 54.79 54.29 1u2j n ASP 499 Cb 0.17 0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 41.92 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 -1.25 1.34 0.28 1.24 0.51 -1.03 -4.89 118.94 115.14 1u2j s TRP 500 Ca 0.04 -0.40 0.12 0.00 -2.12 0.00 0.00 56.10 53.74 1u2j s TRP 500 Cb 0.05 -4.22 0.93 0.00 -0.81 0.00 0.00 33.47 29.42 1u2j s TRP 500 CO 0.20 -5.43 1.24 -0.25 -0.51 0.00 0.00 176.95 172.20 1u2j n ASP 501 N 7.53 0.17 0.23 2.95 10.43 -1.26 0.20 116.55 136.80 1u2j n ASP 501 Ca 0.20 1.32 0.16 0.00 2.57 0.00 0.00 54.79 59.03 1u2j n ASP 501 Cb 0.41 -0.60 0.61 0.00 1.84 0.00 0.00 41.12 43.39 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 0.00 -0.44 2.53 2.07 -1.94 -2.81 116.25 115.66 1u2j h VAL 502 Ca 0.62 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1u2j h VAL 502 Cb 1.55 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1u2j h VAL 502 CO -0.65 0.00 0.00 0.59 0.02 0.00 0.00 177.57 177.53 1u2j n ASN 503 N -2.83 3.33 -0.12 0.57 3.02 0.52 -4.70 115.26 115.05 1u2j n ASN 503 Ca 0.01 -1.95 -0.05 0.00 -0.03 0.00 0.00 54.58 52.56 1u2j n ASN 503 Cb 0.29 -0.29 0.03 0.00 -0.61 0.00 0.00 39.78 39.20 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 3.60 0.44 0.22 5.41 0.00 -1.29 -1.62 119.26 126.03 1u2j h ALA 504 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1u2j h ALA 504 Cb 0.88 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1u2j h ALA 504 CO 0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 179.25 178.87 1u2j h ALA 505 N 1.26 -0.30 -0.93 0.00 0.00 -1.84 -3.33 119.26 114.13 1u2j h ALA 505 Ca 0.18 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 55.06 1u2j h ALA 505 Cb 0.18 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 1u2j h ALA 505 CO -0.20 -0.43 0.60 0.00 0.00 0.00 0.00 179.25 179.22 1u2j h ALA 506 N -0.19 1.94 0.00 0.00 0.00 -1.76 -1.88 119.26 117.38 1u2j h ALA 506 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u2j h ALA 506 Cb 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1u2j h ALA 506 CO 0.05 -0.23 0.00 0.28 0.00 0.00 0.00 179.25 179.35 1u2j n VAL 507 N -4.59 0.79 0.33 0.00 0.31 -0.63 -2.55 118.33 111.99 1u2j n VAL 507 Ca 0.20 0.15 0.15 0.00 -0.01 0.00 0.00 64.34 64.83 1u2j n VAL 507 Cb 0.58 -1.07 0.63 0.00 -0.91 0.00 0.00 33.84 33.07 1u2j n VAL 507 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1u2j h ARG 508 N 0.00 0.00 0.00 5.55 3.08 -1.48 0.77 114.38 122.30 1u2j h ARG 508 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1u2j h ARG 508 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1u2j h ARG 508 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1u2j n ALA 509 N -1.96 2.12 -0.05 0.04 0.00 -1.06 -4.35 120.51 115.25 1u2j n ALA 509 Ca 0.01 -0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 1u2j n ALA 509 Cb 0.26 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 18.21 1u2j n ALA 509 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1u2j h LEU 510 N 0.00 0.33 -0.31 0.00 3.38 -1.03 -2.30 115.31 115.38 1u2j h LEU 510 Ca 0.00 -0.50 0.07 0.00 0.09 0.00 0.00 57.88 57.54 1u2j h LEU 510 Cb 0.54 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 1u2j h LEU 510 CO 0.00 0.76 -0.15 -0.65 0.09 0.00 0.00 178.44 178.49 1u2j h PRO 511 N -0.09 -0.10 -0.84 1.13 0.11 -1.76 0.13 132.00 130.58 1u2j h PRO 511 Ca 0.02 0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.25 1u2j h PRO 511 Cb 0.67 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 31.73 1u2j h PRO 511 CO 0.03 -0.06 0.47 0.28 -0.21 0.00 0.00 178.00 178.51 1u2j h VAL 512 N -0.10 0.85 -0.01 3.15 2.07 -1.80 -1.68 116.25 118.74 1u2j h VAL 512 Ca 0.16 -0.26 -0.20 0.00 0.82 0.00 0.00 66.70 67.23 1u2j h VAL 512 Cb 0.34 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1u2j h VAL 512 CO -0.37 0.14 -0.86 -0.07 0.02 0.00 0.00 177.57 176.42 1u2j h LEU 513 N 0.75 0.32 -0.50 2.57 3.38 -0.75 -1.44 115.31 119.63 1u2j h LEU 513 Ca 0.42 -0.25 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 1u2j h LEU 513 Cb 0.46 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1u2j h LEU 513 CO -0.28 1.04 -0.58 -0.33 0.09 0.00 0.00 178.44 178.37 1u2j h GLU 514 N 0.15 0.53 -0.20 1.13 5.08 -0.63 -0.91 114.58 119.72 1u2j h GLU 514 Ca -0.05 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1u2j h GLU 514 Cb 1.47 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 1u2j h GLU 514 CO 0.14 0.96 0.12 -0.22 -1.00 0.00 0.00 179.01 179.00 1u2j h LYS 515 N 0.40 0.27 0.39 2.33 3.64 -1.17 -1.18 116.57 121.25 1u2j h LYS 515 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1u2j h LYS 515 Cb 1.13 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1u2j h LYS 515 CO 0.11 0.23 -0.28 0.82 -2.27 0.00 0.00 179.45 178.06 1u2j h ILE 516 N 0.24 0.42 -0.32 2.00 2.04 -0.91 -0.01 117.51 120.96 1u2j h ILE 516 Ca 0.07 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.02 1u2j h ILE 516 Cb 0.03 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1u2j h ILE 516 CO -0.01 0.00 0.26 0.06 0.00 0.00 0.00 178.15 178.46 1u2j h GLN 517 N -0.66 0.00 0.17 2.37 -0.00 -1.19 0.37 115.11 116.17 1u2j h GLN 517 Ca -0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.31 1u2j h GLN 517 Cb 0.56 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.06 1u2j h GLN 517 CO 0.01 0.00 -1.37 0.87 -0.00 0.00 0.00 178.83 178.34 1u2j h LYS 518 N 0.00 0.36 -0.28 0.06 1.57 -0.00 -0.91 116.57 117.36 1u2j h LYS 518 Ca 0.15 -0.61 -0.12 0.00 -1.87 0.00 0.00 60.65 58.20 1u2j h LYS 518 Cb 0.67 0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 1u2j h LYS 518 CO -0.00 1.28 -0.29 0.93 -0.57 0.00 0.00 179.45 180.80 1u2j h GLU 519 N 0.10 0.68 0.73 3.15 5.08 -0.89 -3.36 114.58 120.07 1u2j h GLU 519 Ca -0.19 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 57.77 1u2j h GLU 519 Cb 2.04 0.02 0.01 0.00 0.50 0.00 0.00 28.75 31.32 1u2j h GLU 519 CO 0.22 0.98 -0.35 1.03 -1.00 0.00 0.00 179.01 179.89 1u2j h SER 520 N 0.42 -0.83 -1.44 1.42 0.87 -0.95 -3.47 113.55 109.57 1u2j h SER 520 Ca 0.04 0.01 -0.29 0.00 -1.23 0.00 0.00 61.79 60.32 1u2j h SER 520 Cb 0.86 0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 62.97 1u2j h SER 520 CO 0.07 -0.52 -0.32 0.61 -0.53 0.00 0.00 176.83 176.14 1u2j n GLY 521 N -1.16 0.54 0.04 5.77 0.00 -0.35 -4.93 105.19 105.12 1u2j n GLY 521 Ca -0.13 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.47 1.61 -3.85 1.61 4.01 -1.26 -5.04 118.16 112.76 1u2j n LYS 522 Ca -0.16 -0.04 -0.09 0.00 -0.51 0.00 0.00 58.31 57.51 1u2j n LYS 522 Cb 0.56 -1.31 -0.07 0.00 -0.51 0.00 0.00 35.03 33.70 1u2j n LYS 522 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1u2j s ALA 523 N -2.45 -0.26 0.79 7.82 0.00 -1.26 -3.41 121.76 122.99 1u2j s ALA 523 Ca -0.06 -0.56 -0.12 0.00 0.00 0.00 0.00 51.96 51.23 1u2j s ALA 523 Cb 0.05 0.46 0.08 0.00 0.00 0.00 0.00 23.12 23.70 1u2j s ALA 523 CO 0.50 -0.49 1.15 -1.54 0.00 0.00 0.00 175.76 175.37 1u2j s SER 524 N -2.75 3.95 0.23 0.00 1.04 -1.26 -4.84 113.70 110.07 1u2j s SER 524 Ca 0.03 2.12 -0.07 0.00 0.48 0.00 0.00 55.95 58.52 1u2j s SER 524 Cb 0.04 -2.56 0.25 0.00 0.10 0.00 0.00 66.02 63.85 1u2j s SER 524 CO -0.10 -2.42 1.89 0.25 0.98 0.00 0.00 173.24 173.84 1u2j h LEU 525 N -1.00 0.97 -0.71 2.42 5.85 -1.91 -0.32 115.31 120.61 1u2j h LEU 525 Ca -0.45 -0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.40 1u2j h LEU 525 Cb 1.26 -0.23 -0.10 0.00 0.37 0.00 0.00 40.66 41.97 1u2j h LEU 525 CO 0.48 0.68 0.22 0.00 -0.34 0.00 0.00 178.44 179.48 1u2j h ALA 526 N 1.35 0.94 -0.38 1.25 0.00 -1.88 0.41 119.26 120.94 1u2j h ALA 526 Ca 0.34 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 55.25 1u2j h ALA 526 Cb -0.04 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1u2j h ALA 526 CO -0.10 -0.27 -0.27 -0.44 0.00 0.00 0.00 179.25 178.18 1u2j h ASP 527 N 0.35 0.90 0.50 0.00 5.19 -1.74 -2.87 116.42 118.74 1u2j h ASP 527 Ca 0.39 -0.43 -0.04 0.00 -0.62 0.00 0.00 57.03 56.32 1u2j h ASP 527 Cb 0.60 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 1u2j h ASP 527 CO -0.43 1.14 -0.21 0.40 -3.12 0.00 0.00 179.24 177.02 1u2j h ILE 528 N 0.66 0.74 -0.03 0.35 2.04 0.48 0.01 117.51 121.77 1u2j h ILE 528 Ca 0.08 -0.87 -0.21 0.00 1.00 0.00 0.00 64.86 64.86 1u2j h ILE 528 Cb 0.84 1.53 0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1u2j h ILE 528 CO 0.07 0.21 -0.82 0.40 0.00 0.00 0.00 178.15 178.01 1u2j h ILE 529 N 0.00 1.33 0.00 -0.67 2.04 -0.11 -0.97 117.51 119.14 1u2j h ILE 529 Ca -0.00 -2.12 -0.08 0.00 1.00 0.00 0.00 64.86 63.66 1u2j h ILE 529 Cb 0.52 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 1u2j h ILE 529 CO 0.03 0.64 -0.38 0.58 0.00 0.00 0.00 178.15 179.02 1u2j h VAL 530 N 0.23 0.96 -0.28 1.67 2.07 -1.29 -2.92 116.25 116.69 1u2j h VAL 530 Ca -0.09 -1.50 -0.18 0.00 0.82 0.00 0.00 66.70 65.74 1u2j h VAL 530 Cb 1.49 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 33.15 1u2j h VAL 530 CO 0.16 0.38 -0.55 0.25 0.02 0.00 0.00 177.57 177.83 1u2j h LEU 531 N 0.00 0.94 -0.52 2.57 5.85 -0.81 -2.08 115.31 121.26 1u2j h LEU 531 Ca -0.00 -0.51 0.08 0.00 0.84 0.00 0.00 57.88 58.29 1u2j h LEU 531 Cb 0.86 -0.27 -0.10 0.00 0.37 0.00 0.00 40.66 41.52 1u2j h LEU 531 CO 0.05 1.30 -0.44 0.00 -0.34 0.00 0.00 178.44 179.00 1u2j h ALA 532 N 0.72 -0.39 -0.66 1.25 0.00 -0.99 0.44 119.26 119.63 1u2j h ALA 532 Ca 0.01 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.12 1u2j h ALA 532 Cb 1.16 0.95 -0.08 0.00 0.00 0.00 0.00 17.79 19.82 1u2j h ALA 532 CO 0.12 -0.85 0.23 0.78 0.00 0.00 0.00 179.25 179.53 1u2j h GLY 533 N -0.27 0.94 0.50 0.00 0.00 -1.35 0.11 103.07 103.00 1u2j h GLY 533 Ca 0.16 -0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.43 1u2j h GLY 533 CO -0.65 -0.06 -0.03 -2.08 0.00 0.00 0.00 176.54 173.72 1u2j h VAL 534 N 0.39 0.76 -0.24 4.60 2.07 -0.83 -0.48 116.25 122.53 1u2j h VAL 534 Ca 0.35 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.83 1u2j h VAL 534 Cb 0.48 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1u2j h VAL 534 CO -0.36 0.01 0.07 0.58 0.02 0.00 0.00 177.57 177.89 1u2j h VAL 535 N 0.05 1.11 -0.09 2.57 2.07 0.93 -2.44 116.25 120.45 1u2j h VAL 535 Ca 0.14 -0.38 -0.18 0.00 0.82 0.00 0.00 66.70 67.09 1u2j h VAL 535 Cb 0.20 0.86 0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1u2j h VAL 535 CO -0.26 0.14 -0.66 1.23 0.02 0.00 0.00 177.57 178.04 1u2j h GLY 536 N 0.52 0.66 1.08 2.17 0.00 -0.01 -1.69 103.07 105.80 1u2j h GLY 536 Ca 0.08 -0.99 -0.09 0.00 0.00 0.00 0.00 47.33 46.33 1u2j h GLY 536 CO -0.01 0.88 0.05 -2.08 0.00 0.00 0.00 176.54 175.38 1u2j h VAL 537 N 0.23 1.27 0.37 4.60 2.07 -0.96 -1.30 116.25 122.53 1u2j h VAL 537 Ca -0.06 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1u2j h VAL 537 Cb 1.31 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1u2j h VAL 537 CO 0.13 0.41 -0.18 -0.33 0.02 0.00 0.00 177.57 177.62 1u2j h GLU 538 N 1.01 -0.48 -0.89 1.57 5.08 -1.37 0.44 114.58 119.93 1u2j h GLU 538 Ca 0.19 0.03 0.22 0.00 -1.00 0.00 0.00 59.36 58.80 1u2j h GLU 538 Cb 0.51 0.11 -0.16 0.00 0.50 0.00 0.00 28.75 29.71 1u2j h GLU 538 CO 0.02 -0.17 -0.04 -0.22 -1.00 0.00 0.00 179.01 177.61 1u2j h LYS 539 N -0.85 0.04 -0.07 2.33 1.63 -1.33 0.49 116.57 118.81 1u2j h LYS 539 Ca -0.05 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1u2j h LYS 539 Cb 0.54 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1u2j h LYS 539 CO 0.08 0.03 0.02 0.00 -3.45 0.00 0.00 179.45 176.13 1u2j h ALA 540 N 1.87 0.09 0.19 5.00 0.00 -0.69 0.25 119.26 125.97 1u2j h ALA 540 Ca 0.50 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.31 1u2j h ALA 540 Cb 0.93 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1u2j h ALA 540 CO -0.84 -0.30 -0.45 0.00 0.00 0.00 0.00 179.25 177.67 1u2j h ALA 541 N 0.83 -0.84 -0.97 0.00 0.00 0.13 -1.99 119.26 116.42 1u2j h ALA 541 Ca 0.02 -0.10 0.22 0.00 0.00 0.00 0.00 54.91 55.05 1u2j h ALA 541 Cb 0.21 0.73 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 1u2j h ALA 541 CO -0.00 -1.03 0.62 0.77 0.00 0.00 0.00 179.25 179.61 1u2j h SER 542 N -0.72 0.53 0.41 0.00 0.02 0.12 0.73 113.55 114.63 1u2j h SER 542 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1u2j h SER 542 Cb 0.72 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1u2j h SER 542 CO -0.22 0.18 0.00 0.00 -1.14 0.00 0.00 176.83 175.65 1u2j n ALA 543 N -2.45 1.40 -0.12 3.77 0.00 0.86 -1.52 120.51 122.45 1u2j n ALA 543 Ca 0.22 0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.86 1u2j n ALA 543 Cb 0.71 -1.33 0.20 0.00 0.00 0.00 0.00 19.45 19.03 1u2j n ALA 543 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u2j n ALA 544 N -1.75 2.29 -1.02 0.00 0.00 0.25 -4.91 120.51 115.36 1u2j n ALA 544 Ca 0.01 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.32 1u2j n ALA 544 Cb 0.14 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 0.97 0.58 3.30 0.00 0.00 -0.57 -5.04 105.19 104.43 1u2j n GLY 545 Ca 0.16 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 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 2.11 -0.23 0.99 1.02 -0.86 -4.97 118.68 116.74 1u2j s LEU 546 Ca 0.00 -0.50 -0.08 0.00 0.02 0.00 0.00 54.13 53.57 1u2j s LEU 546 Cb 0.00 -1.21 -0.04 0.00 0.02 0.00 0.00 46.19 44.96 1u2j s LEU 546 CO 0.00 0.26 0.08 -0.55 0.02 0.00 0.00 176.35 176.16 1u2j s SER 547 N -0.89 5.40 -0.01 2.29 0.15 -1.26 -1.33 113.70 118.03 1u2j s SER 547 Ca 0.10 -0.08 0.02 0.00 0.70 0.00 0.00 55.95 56.69 1u2j s SER 547 Cb -0.09 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 1u2j s SER 547 CO 0.01 0.04 -0.07 0.27 1.20 0.00 0.00 173.24 174.69 1u2j s ILE 548 N 1.15 0.59 -0.22 6.45 -4.36 -1.26 -5.04 121.20 118.51 1u2j s ILE 548 Ca 0.05 -0.28 -0.16 0.00 -0.26 0.00 0.00 60.65 59.99 1u2j s ILE 548 Cb -0.14 -0.52 -0.04 0.00 1.25 0.00 0.00 42.46 43.01 1u2j s ILE 548 CO 0.04 0.18 0.42 -2.28 0.24 0.00 0.00 174.94 173.53 1u2j s HIS 549 N 0.06 3.35 -0.33 1.37 5.65 -1.26 -4.85 115.29 119.28 1u2j s HIS 549 Ca -0.00 0.61 -0.11 0.00 0.25 0.00 0.00 55.06 55.80 1u2j s HIS 549 Cb -0.05 -2.56 -0.01 0.00 -1.18 0.00 0.00 32.58 28.77 1u2j s HIS 549 CO -0.00 -0.07 0.19 0.08 -0.65 0.00 0.00 174.74 174.28 1u2j s VAL 550 N 1.53 4.84 0.39 0.89 1.01 -1.26 -5.06 120.40 122.74 1u2j s VAL 550 Ca 0.19 -0.39 -0.27 0.00 0.00 0.00 0.00 61.98 61.51 1u2j s VAL 550 Cb -0.15 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.64 1u2j s VAL 550 CO 0.08 0.01 1.44 -2.84 0.00 0.00 0.00 175.10 173.80 1u2j s PRO 551 N 1.65 4.04 0.12 2.72 0.02 -1.26 -4.99 135.00 137.29 1u2j s PRO 551 Ca 0.05 2.47 0.07 0.00 0.02 0.00 0.00 61.00 63.61 1u2j s PRO 551 Cb -0.17 -2.90 -0.04 0.00 0.02 0.00 0.00 34.50 31.41 1u2j s PRO 551 CO 0.08 -0.55 -0.16 0.12 -0.33 0.00 0.00 177.00 176.16 1u2j s PHE 552 N -1.15 1.52 -0.09 6.54 5.36 -1.26 -4.96 117.98 123.94 1u2j s PHE 552 Ca 0.54 -0.51 -0.03 0.00 -0.96 0.00 0.00 56.93 55.97 1u2j s PHE 552 Cb -0.45 -0.80 0.05 0.00 -0.34 0.00 0.00 43.02 41.48 1u2j s PHE 552 CO 0.60 0.18 0.13 0.00 -1.46 0.00 0.00 175.22 174.66 1u2j s ALA 553 N -1.88 0.03 0.78 11.12 0.00 -1.26 -5.15 121.76 125.39 1u2j s ALA 553 Ca 0.09 0.31 -0.09 0.00 0.00 0.00 0.00 51.96 52.26 1u2j s ALA 553 Cb -0.06 -0.83 0.10 0.00 0.00 0.00 0.00 23.12 22.33 1u2j s ALA 553 CO 0.04 -0.68 1.11 -1.25 0.00 0.00 0.00 175.76 174.98 1u2j s PRO 554 N 2.24 1.74 0.00 0.00 0.04 -1.26 -4.77 135.00 132.99 1u2j s PRO 554 Ca 0.04 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 60.76 1u2j s PRO 554 Cb -0.13 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1u2j s PRO 554 CO -0.06 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 175.80 1u2j n GLY 555 N -3.18 1.36 3.61 0.56 0.00 -1.26 -5.12 105.19 101.16 1u2j n GLY 555 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1u2j n GLY 555 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u2j n ARG 556 N 0.00 -1.03 -4.31 1.61 1.74 -1.26 -4.93 116.66 108.47 1u2j n ARG 556 Ca 0.00 -0.24 -0.16 0.00 -0.77 0.00 0.00 57.85 56.67 1u2j n ARG 556 Cb 0.00 -2.32 -0.10 0.00 -1.02 0.00 0.00 32.46 29.02 1u2j n ARG 556 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1u2j s VAL 557 N -2.57 1.11 -0.23 1.55 -7.23 -1.26 -4.47 120.40 107.30 1u2j s VAL 557 Ca 0.67 -2.05 -0.17 0.00 -1.81 0.00 0.00 61.98 58.62 1u2j s VAL 557 Cb -0.24 -2.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 1u2j s VAL 557 CO 0.60 -0.45 0.48 -1.81 -0.31 0.00 0.00 175.10 173.61 1u2j s ASP 558 N -3.27 6.46 0.69 4.85 1.01 -1.26 -0.87 116.67 124.28 1u2j s ASP 558 Ca 0.25 0.55 -0.12 0.00 0.71 0.00 0.00 52.55 53.93 1u2j s ASP 558 Cb 0.05 -2.27 0.01 0.00 1.01 0.00 0.00 42.92 41.72 1u2j s ASP 558 CO 0.06 -0.20 1.07 0.00 0.21 0.00 0.00 175.17 176.32 1u2j s ALA 559 N 1.87 2.57 0.33 5.23 0.00 0.15 -4.78 121.76 127.13 1u2j s ALA 559 Ca 0.21 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1u2j s ALA 559 Cb -0.15 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1u2j s ALA 559 CO 0.09 -1.26 0.53 1.03 0.00 0.00 0.00 175.76 176.16 1u2j s ARG 560 N -4.68 3.50 0.55 0.00 0.52 -1.26 -4.95 118.95 112.62 1u2j s ARG 560 Ca 0.61 -0.32 0.22 0.00 -0.52 0.00 0.00 55.73 55.72 1u2j s ARG 560 Cb -0.16 -2.68 1.50 0.00 0.52 0.00 0.00 34.95 34.13 1u2j s ARG 560 CO 0.50 0.18 2.18 0.37 0.02 0.00 0.00 175.30 178.55 1u2j h GLN 561 N 0.92 0.00 -0.02 3.54 5.75 -1.96 -0.73 115.11 122.62 1u2j h GLN 561 Ca -0.50 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1u2j h GLN 561 Cb 1.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.76 1u2j h GLN 561 CO 0.62 0.02 0.00 -0.40 -2.65 0.00 0.00 178.83 176.42 1u2j n ASP 562 N -4.18 0.76 -0.51 -0.69 5.75 -1.26 -1.73 116.55 114.70 1u2j n ASP 562 Ca -0.03 -1.29 0.05 0.00 -0.01 0.00 0.00 54.79 53.51 1u2j n ASP 562 Cb 0.10 -0.01 0.09 0.00 -1.03 0.00 0.00 41.12 40.27 1u2j n ASP 562 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u2j n GLN 563 N -0.39 1.43 -3.84 0.11 6.02 -0.30 -4.80 117.38 115.62 1u2j n GLN 563 Ca 0.21 -1.50 -0.28 0.00 -0.01 0.00 0.00 57.00 55.41 1u2j n GLN 563 Cb 0.23 -1.23 -0.12 0.00 1.02 0.00 0.00 30.24 30.13 1u2j n GLN 563 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1u2j s THR 564 N -0.94 2.40 0.06 5.09 2.01 -0.70 -4.22 115.64 119.33 1u2j s THR 564 Ca 0.17 -3.73 -0.30 0.00 0.31 0.00 0.00 61.69 58.13 1u2j s THR 564 Cb 0.10 -2.61 -0.09 0.00 0.01 0.00 0.00 72.50 69.92 1u2j s THR 564 CO 0.14 -0.98 1.78 -0.62 -0.69 0.00 0.00 174.62 174.26 1u2j s ASP 565 N -0.87 6.52 0.07 3.53 -1.08 -1.26 -4.85 116.67 118.73 1u2j s ASP 565 Ca 0.23 2.58 -0.37 0.00 -0.52 0.00 0.00 52.55 54.47 1u2j s ASP 565 Cb -0.10 -2.55 -0.20 0.00 -1.46 0.00 0.00 42.92 38.61 1u2j s ASP 565 CO -0.12 -0.97 1.57 0.40 0.52 0.00 0.00 175.17 176.57 1u2j h ILE 566 N 5.09 0.01 -0.86 4.11 1.08 -1.89 -2.63 117.51 122.42 1u2j h ILE 566 Ca -0.45 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.14 1u2j h ILE 566 Cb 1.21 0.01 -0.06 0.00 -3.07 0.00 0.00 36.82 34.91 1u2j h ILE 566 CO 0.94 0.00 0.56 -0.33 -0.69 0.00 0.00 178.15 178.63 1u2j h GLU 567 N -1.26 0.74 0.00 2.37 5.08 -1.99 0.11 114.58 119.62 1u2j h GLU 567 Ca -0.12 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1u2j h GLU 567 Cb 0.99 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1u2j h GLU 567 CO 0.14 0.49 0.00 0.52 -1.00 0.00 0.00 179.01 179.16 1u2j h MET 568 N 0.76 0.00 0.00 2.33 2.86 -1.95 -3.10 114.93 115.83 1u2j h MET 568 Ca 0.41 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.75 1u2j h MET 568 Cb 0.54 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.15 1u2j h MET 568 CO -0.18 0.00 -1.81 1.19 1.06 0.00 0.00 176.91 177.18 1u2j n PHE 569 N -2.65 0.84 0.23 -0.22 3.72 0.17 -3.68 117.46 115.86 1u2j n PHE 569 Ca 0.04 0.30 0.16 0.00 -0.05 0.00 0.00 57.45 57.91 1u2j n PHE 569 Cb 0.43 -1.15 0.84 0.00 -0.94 0.00 0.00 39.48 38.65 1u2j n PHE 569 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1u2j h GLU 570 N 0.00 0.00 0.00 -1.08 5.08 -0.94 0.23 114.58 117.87 1u2j h GLU 570 Ca -0.32 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1u2j h GLU 570 Cb 2.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.29 1u2j h GLU 570 CO 0.07 0.00 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.92 1u2j h LEU 571 N 0.00 0.00 -1.92 1.33 3.38 -1.62 -2.86 115.31 113.62 1u2j h LEU 571 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1u2j h LEU 571 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1u2j h LEU 571 CO -0.00 0.09 0.00 0.18 0.09 0.00 0.00 178.44 178.80 1u2j n LEU 572 N -3.79 2.96 -4.67 1.67 4.77 0.81 -4.91 117.00 113.84 1u2j n LEU 572 Ca -0.02 -1.06 -0.42 0.00 -0.03 0.00 0.00 56.01 54.48 1u2j n LEU 572 Cb 0.19 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1u2j n LEU 572 CO 0.30 0.53 1.45 -0.70 -1.33 0.00 0.00 177.39 177.64 1u2j s GLU 573 N -1.89 4.17 0.40 3.23 2.12 -1.08 -4.94 118.70 120.70 1u2j s GLU 573 Ca 0.31 2.43 -0.24 0.00 0.36 0.00 0.00 54.97 57.83 1u2j s GLU 573 Cb 0.21 -3.88 -0.09 0.00 0.26 0.00 0.00 34.13 30.62 1u2j s GLU 573 CO 0.31 -0.85 1.03 -1.25 -0.54 0.00 0.00 175.26 173.95 1u2j s PRO 574 N 3.61 4.20 0.13 4.30 0.04 -1.26 -4.96 135.00 141.05 1u2j s PRO 574 Ca 0.80 1.45 -0.09 0.00 0.04 0.00 0.00 61.00 63.20 1u2j s PRO 574 Cb -0.40 -2.52 -0.08 0.00 0.04 0.00 0.00 34.50 31.54 1u2j s PRO 574 CO 0.35 -0.10 1.35 -0.84 0.04 0.00 0.00 177.00 177.80 1u2j h ILE 575 N 2.18 1.31 -4.10 0.56 -2.65 -1.92 -3.47 117.51 109.41 1u2j h ILE 575 Ca -0.48 -2.02 -0.15 0.00 1.03 0.00 0.00 64.86 63.24 1u2j h ILE 575 Cb 1.21 2.01 -0.18 0.00 -2.05 0.00 0.00 36.82 37.81 1u2j h ILE 575 CO 0.62 0.63 -0.69 0.00 0.03 0.00 0.00 178.15 178.74 1u2j s ALA 576 N -3.72 0.34 -0.32 0.16 0.00 -1.26 0.69 121.76 117.65 1u2j s ALA 576 Ca -0.09 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1u2j s ALA 576 Cb 0.09 0.20 0.15 0.00 0.00 0.00 0.00 23.12 23.57 1u2j s ALA 576 CO 0.88 -0.26 0.37 0.34 0.00 0.00 0.00 175.76 177.10 1u2j s ASP 577 N -2.20 1.00 0.54 0.00 -1.08 -0.39 -4.96 116.67 109.57 1u2j s ASP 577 Ca -0.04 -0.94 0.33 0.00 -0.52 0.00 0.00 52.55 51.38 1u2j s ASP 577 Cb -0.01 0.76 1.32 0.00 -1.46 0.00 0.00 42.92 43.52 1u2j s ASP 577 CO -0.05 -0.33 1.96 1.23 0.52 0.00 0.00 175.17 178.50 1u2j h GLY 578 N 7.77 0.00 2.00 2.66 0.00 -1.88 -0.34 103.07 113.27 1u2j h GLY 578 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 1u2j h GLY 578 CO 0.26 0.00 -0.26 0.74 0.00 0.00 0.00 176.54 177.28 1u2j h PHE 579 N 0.00 0.00 -0.28 5.60 0.04 -1.94 -2.41 116.94 117.94 1u2j h PHE 579 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1u2j h PHE 579 Cb 0.53 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1u2j h PHE 579 CO 0.00 0.26 0.00 0.54 -0.60 0.00 0.00 178.31 178.51 1u2j n ARG 580 N -3.77 2.88 -3.81 1.51 1.74 -0.47 -4.69 116.66 110.05 1u2j n ARG 580 Ca -0.01 -2.02 -0.30 0.00 -0.77 0.00 0.00 57.85 54.75 1u2j n ARG 580 Cb 0.36 -1.26 0.01 0.00 -1.02 0.00 0.00 32.46 30.54 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 0.27 -4.28 -4.81 0.55 3.02 -0.59 -1.73 115.26 107.69 1u2j n ASN 581 Ca 0.10 -0.71 -0.36 0.00 -0.03 0.00 0.00 54.58 53.58 1u2j n ASN 581 Cb 0.43 -3.46 -0.07 0.00 -0.61 0.00 0.00 39.78 36.07 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 -3.19 3.52 -0.09 3.10 5.04 -0.26 -4.78 117.35 120.69 1u2j s TYR 582 Ca 0.61 0.48 -0.03 0.00 -2.44 0.00 0.00 57.07 55.69 1u2j s TYR 582 Cb -0.31 -2.07 0.05 0.00 0.35 0.00 0.00 41.96 39.97 1u2j s TYR 582 CO 0.75 0.52 0.16 0.50 -1.34 0.00 0.00 175.55 176.14 1u2j s ARG 583 N -0.39 0.04 0.46 4.97 6.06 -1.26 -1.26 118.95 127.57 1u2j s ARG 583 Ca 0.13 0.54 0.05 0.00 -2.50 0.00 0.00 55.73 53.94 1u2j s ARG 583 Cb -0.12 -0.35 -0.04 0.00 0.06 0.00 0.00 34.95 34.51 1u2j s ARG 583 CO 0.02 -0.33 0.10 0.00 -2.50 0.00 0.00 175.30 172.59 1u2j s ALA 584 N 2.29 3.73 -0.97 6.12 0.00 0.22 -4.91 121.76 128.24 1u2j s ALA 584 Ca 0.03 -1.50 -0.12 0.00 0.00 0.00 0.00 51.96 50.37 1u2j s ALA 584 Cb -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1u2j s ALA 584 CO -0.06 -0.14 0.70 0.54 0.00 0.00 0.00 175.76 176.80 1u2j n ARG 585 N -1.23 -1.22 0.25 0.00 1.74 -1.26 -4.80 116.66 110.14 1u2j n ARG 585 Ca -0.08 0.71 0.16 0.00 -0.77 0.00 0.00 57.85 57.87 1u2j n ARG 585 Cb 0.66 -3.66 0.88 0.00 -1.02 0.00 0.00 32.46 29.32 1u2j n ARG 585 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1u2j h LEU 586 N -1.02 0.00 -0.98 0.55 3.38 -1.94 -2.31 115.31 112.98 1u2j h LEU 586 Ca -0.54 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 1u2j h LEU 586 Cb 1.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1u2j h LEU 586 CO 0.41 0.00 -0.19 -2.24 0.09 0.00 0.00 178.44 176.52 1u2j h ASP 587 N 0.00 0.00 -3.35 -0.43 2.03 -2.04 -3.42 116.42 109.21 1u2j h ASP 587 Ca 0.05 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.76 1u2j h ASP 587 Cb 0.27 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 38.69 1u2j h ASP 587 CO -0.00 0.19 0.31 -0.69 -1.03 0.00 0.00 179.24 178.02 1u2j s VAL 588 N -3.56 4.92 0.00 4.15 1.01 -0.87 -5.01 120.40 121.04 1u2j s VAL 588 Ca 0.02 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.44 1u2j s VAL 588 Cb 0.09 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1u2j s VAL 588 CO 0.63 0.02 0.00 -1.20 0.00 0.00 0.00 175.10 174.56 1u2j n SER 589 N 5.42 -3.81 -4.46 3.32 7.64 -1.26 -4.85 113.62 115.62 1u2j n SER 589 Ca 0.03 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.66 1u2j n SER 589 Cb 0.49 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.58 1u2j n SER 589 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1u2j s THR 590 N 0.00 2.42 0.19 0.44 -4.23 -1.26 -5.00 115.64 108.19 1u2j s THR 590 Ca 0.00 -2.33 -0.10 0.00 -1.18 0.00 0.00 61.69 58.08 1u2j s THR 590 Cb 0.00 -2.25 0.11 0.00 1.34 0.00 0.00 72.50 71.69 1u2j s THR 590 CO 0.00 -0.36 1.74 0.71 -0.54 0.00 0.00 174.62 176.17 1u2j h THR 591 N 2.45 1.25 -0.34 3.99 1.35 -1.95 -0.84 112.91 118.82 1u2j h THR 591 Ca -0.41 -0.81 -0.08 0.00 -0.55 0.00 0.00 66.41 64.56 1u2j h THR 591 Cb 1.25 0.50 -0.02 0.00 -1.73 0.00 0.00 68.15 68.16 1u2j h THR 591 CO 0.58 0.32 -0.14 1.05 -0.25 0.00 0.00 175.52 177.08 1u2j h GLU 592 N 0.97 0.60 -0.24 4.72 9.09 -1.97 -2.17 114.58 125.58 1u2j h GLU 592 Ca 0.22 -0.19 -0.12 0.00 0.05 0.00 0.00 59.36 59.32 1u2j h GLU 592 Cb 0.25 -0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 27.29 1u2j h GLU 592 CO -0.01 0.72 -0.32 0.66 0.05 0.00 0.00 179.01 180.11 1u2j h SER 593 N 0.54 0.70 -0.16 3.06 4.64 -1.76 -1.86 113.55 118.72 1u2j h SER 593 Ca 0.10 -0.50 0.05 0.00 -0.47 0.00 0.00 61.79 60.96 1u2j h SER 593 Cb 0.55 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1u2j h SER 593 CO 0.03 1.06 0.14 -0.07 -0.87 0.00 0.00 176.83 177.13 1u2j h LEU 594 N 0.36 0.00 0.06 5.97 3.38 -1.15 -1.33 115.31 122.59 1u2j h LEU 594 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1u2j h LEU 594 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1u2j h LEU 594 CO 0.08 0.00 -0.03 0.25 0.09 0.00 0.00 178.44 178.83 1u2j h LEU 595 N 0.00 -0.07 -1.45 1.67 5.85 -0.67 -0.83 115.31 119.81 1u2j h LEU 595 Ca 0.07 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.45 1u2j h LEU 595 Cb 0.36 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1u2j h LEU 595 CO -0.00 0.35 0.40 0.40 -0.34 0.00 0.00 178.44 179.26 1u2j h ILE 596 N -0.50 1.08 -0.38 4.05 5.03 -1.06 -0.84 117.51 124.89 1u2j h ILE 596 Ca -0.01 -0.25 -0.11 0.00 -0.12 0.00 0.00 64.86 64.38 1u2j h ILE 596 Cb 0.44 0.30 -0.01 0.00 -3.03 0.00 0.00 36.82 34.52 1u2j h ILE 596 CO 0.01 0.13 -0.18 -0.78 -0.68 0.00 0.00 178.15 176.65 1u2j h ASP 597 N 0.72 0.82 -0.64 1.72 -0.00 -0.99 -1.28 116.42 116.77 1u2j h ASP 597 Ca 0.24 -0.40 -0.09 0.00 -0.00 0.00 0.00 57.03 56.78 1u2j h ASP 597 Cb 0.07 -0.23 -0.02 0.00 -0.00 0.00 0.00 39.33 39.15 1u2j h ASP 597 CO -0.07 1.04 0.05 0.50 -0.00 0.00 0.00 179.24 180.76 1u2j h LYS 598 N 0.59 1.09 -0.79 0.28 1.63 -0.82 -1.66 116.57 116.89 1u2j h LYS 598 Ca 0.08 -0.32 -0.00 0.00 -0.85 0.00 0.00 60.65 59.56 1u2j h LYS 598 Cb 0.73 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 32.21 1u2j h LYS 598 CO 0.06 1.03 0.47 0.00 -3.45 0.00 0.00 179.45 177.56 1u2j h ALA 599 N 1.02 1.35 -0.22 5.00 0.00 -0.88 -2.33 119.26 123.19 1u2j h ALA 599 Ca 0.19 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1u2j h ALA 599 Cb 0.51 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1u2j h ALA 599 CO 0.02 0.56 -0.45 1.96 0.00 0.00 0.00 179.25 181.35 1u2j h GLN 600 N 1.08 0.69 -0.84 0.00 4.20 -0.95 0.20 115.11 119.49 1u2j h GLN 600 Ca 0.28 -0.45 0.20 0.00 0.06 0.00 0.00 58.65 58.75 1u2j h GLN 600 Cb -0.04 0.06 -0.15 0.00 0.30 0.00 0.00 27.48 27.65 1u2j h GLN 600 CO -0.05 1.07 0.01 1.96 -0.67 0.00 0.00 178.83 181.14 1u2j h GLN 601 N 0.39 0.08 -0.00 1.46 4.20 -1.12 0.58 115.11 120.70 1u2j h GLN 601 Ca 0.01 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u2j h GLN 601 Cb 1.05 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.81 1u2j h GLN 601 CO 0.10 0.05 0.00 1.28 -0.67 0.00 0.00 178.83 179.59 1u2j n LEU 602 N -5.40 0.02 -2.69 1.46 4.77 -0.89 0.00 117.00 114.27 1u2j n LEU 602 Ca 0.17 -0.01 -0.17 0.00 -0.03 0.00 0.00 56.01 55.97 1u2j n LEU 602 Cb 0.56 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1u2j n LEU 602 CO 0.01 0.00 -0.13 0.35 -1.33 0.00 0.00 177.39 176.29 1u2j n THR 603 N -0.61 -0.90 -2.90 -5.08 -2.24 0.20 -4.93 114.28 97.82 1u2j n THR 603 Ca 0.06 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.50 1u2j n THR 603 Cb 0.03 -2.15 -0.07 0.00 -2.10 0.00 0.00 70.33 66.05 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 -5.97 4.06 0.76 3.22 1.43 0.65 -4.98 118.68 117.84 1u2j s LEU 604 Ca 0.12 1.61 -0.08 0.00 -1.03 0.00 0.00 54.13 54.74 1u2j s LEU 604 Cb -0.06 -4.30 0.09 0.00 0.03 0.00 0.00 46.19 41.95 1u2j s LEU 604 CO 0.14 -0.25 1.08 0.42 0.23 0.00 0.00 176.35 177.97 1u2j s THR 605 N -2.00 2.18 0.14 5.49 -4.23 -1.26 -4.63 115.64 111.33 1u2j s THR 605 Ca 0.57 -0.21 -0.18 0.00 -1.18 0.00 0.00 61.69 60.69 1u2j s THR 605 Cb -0.11 -2.97 -0.01 0.00 1.34 0.00 0.00 72.50 70.74 1u2j s THR 605 CO 0.16 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 175.98 1u2j h ALA 606 N -0.81 0.30 -0.33 3.99 0.00 -1.99 0.64 119.26 121.06 1u2j h ALA 606 Ca -0.44 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 1u2j h ALA 606 Cb 1.31 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1u2j h ALA 606 CO 0.57 -0.33 -0.13 -1.35 0.00 0.00 0.00 179.25 178.01 1u2j h PRO 607 N 0.19 0.58 -0.15 0.00 0.11 -1.97 -1.18 132.00 129.58 1u2j h PRO 607 Ca 0.12 -0.18 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 1u2j h PRO 607 Cb 0.11 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.16 1u2j h PRO 607 CO -0.14 0.70 -0.03 0.93 -0.21 0.00 0.00 178.00 179.24 1u2j h GLU 608 N 0.53 0.28 -0.33 1.05 5.08 -1.68 -1.44 114.58 118.06 1u2j h GLU 608 Ca 0.09 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1u2j h GLU 608 Cb 0.54 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1u2j h GLU 608 CO 0.03 0.56 0.14 1.98 -1.00 0.00 0.00 179.01 180.73 1u2j h MET 609 N -0.02 0.29 -0.59 2.33 4.05 -0.79 -1.55 114.93 118.65 1u2j h MET 609 Ca 0.04 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.48 1u2j h MET 609 Cb 0.46 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.15 1u2j h MET 609 CO 0.01 0.19 0.35 1.15 0.23 0.00 0.00 176.91 178.84 1u2j h THR 610 N 0.30 1.03 -0.37 -0.77 2.02 -1.17 -0.29 112.91 113.67 1u2j h THR 610 Ca 0.14 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1u2j h THR 610 Cb 0.09 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1u2j h THR 610 CO -0.12 0.12 0.09 0.00 0.37 0.00 0.00 175.52 175.98 1u2j h ALA 611 N 1.28 0.48 -0.72 6.16 0.00 -1.08 -2.73 119.26 122.65 1u2j h ALA 611 Ca 0.25 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1u2j h ALA 611 Cb 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1u2j h ALA 611 CO -0.13 0.15 0.23 -0.07 0.00 0.00 0.00 179.25 179.43 1u2j h LEU 612 N 0.45 1.03 0.30 0.00 4.07 -0.69 -1.26 115.31 119.21 1u2j h LEU 612 Ca 0.12 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 1u2j h LEU 612 Cb 0.30 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1u2j h LEU 612 CO 0.00 0.95 -0.14 0.58 -1.08 0.00 0.00 178.44 178.75 1u2j h VAL 613 N 1.06 0.73 0.00 1.22 2.07 -0.93 -0.45 116.25 119.95 1u2j h VAL 613 Ca 0.23 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1u2j h VAL 613 Cb 0.29 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1u2j h VAL 613 CO -0.01 0.10 0.00 1.23 0.02 0.00 0.00 177.57 178.91 1u2j h GLY 614 N -0.69 0.00 0.28 2.17 0.00 -1.46 -1.13 103.07 102.24 1u2j h GLY 614 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1u2j h GLY 614 CO 0.07 0.00 -0.04 -1.33 0.00 0.00 0.00 176.54 175.24 1u2j h GLY 615 N 2.54 -0.12 0.30 4.60 0.00 -1.20 -3.27 103.07 105.92 1u2j h GLY 615 Ca 0.00 0.04 0.13 0.00 0.00 0.00 0.00 47.33 47.51 1u2j h GLY 615 CO 0.00 -0.04 0.43 -0.33 0.00 0.00 0.00 176.54 176.60 1u2j h MET 616 N -0.84 0.62 -0.30 4.80 2.86 -0.99 -0.54 114.93 120.56 1u2j h MET 616 Ca -0.01 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.66 1u2j h MET 616 Cb 0.59 -0.14 -0.08 0.00 0.06 0.00 0.00 31.60 32.04 1u2j h MET 616 CO 0.02 0.41 -0.22 0.00 1.06 0.00 0.00 176.91 178.18 1u2j h ARG 617 N 0.64 -0.19 0.00 1.72 2.47 -1.35 -1.25 114.38 116.43 1u2j h ARG 617 Ca 0.44 0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 59.07 1u2j h ARG 617 Cb 0.57 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 1u2j h ARG 617 CO -0.34 -0.13 -0.48 -0.39 0.56 0.00 0.00 179.97 179.19 1u2j h VAL 618 N -0.20 1.15 0.00 2.04 -1.51 -1.43 -2.65 116.25 113.66 1u2j h VAL 618 Ca 0.16 -1.77 0.00 0.00 -1.23 0.00 0.00 66.70 63.85 1u2j h VAL 618 Cb 0.44 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.61 1u2j h VAL 618 CO -0.42 0.47 0.00 -0.07 -1.23 0.00 0.00 177.57 176.33 1u2j h LEU 619 N 0.00 0.00 -0.44 4.19 3.38 -0.79 0.48 115.31 122.14 1u2j h LEU 619 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1u2j h LEU 619 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1u2j h LEU 619 CO 0.06 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1u2j n GLY 620 N 0.23 0.95 1.48 0.83 0.00 -0.94 -3.79 105.19 103.96 1u2j n GLY 620 Ca 0.01 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.44 3.15 -1.44 4.61 0.00 -0.51 -4.82 120.51 120.06 1u2j n ALA 621 Ca 0.00 -1.72 -0.38 0.00 0.00 0.00 0.00 53.44 51.34 1u2j n ALA 621 Cb 0.34 -0.95 0.04 0.00 0.00 0.00 0.00 19.45 18.88 1u2j n ALA 621 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1u2j n ASN 622 N 0.78 -1.16 0.21 0.00 3.02 -1.26 -4.59 115.26 112.25 1u2j n ASN 622 Ca 0.25 0.71 0.08 0.00 -0.03 0.00 0.00 54.58 55.59 1u2j n ASN 622 Cb 0.91 -1.17 0.41 0.00 -0.61 0.00 0.00 39.78 39.32 1u2j n ASN 622 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1u2j h PHE 623 N 0.16 0.00 -2.92 3.10 -5.15 -1.64 -3.44 116.94 107.04 1u2j h PHE 623 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 1u2j h PHE 623 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.56 1u2j h PHE 623 CO 0.31 0.29 0.00 -0.40 -2.00 0.00 0.00 178.31 176.51 1u2j n ASP 624 N -3.46 1.92 -0.57 -0.68 3.85 -1.26 -4.01 116.55 112.35 1u2j n ASP 624 Ca -0.00 0.00 0.04 0.00 -0.71 0.00 0.00 54.79 54.12 1u2j n ASP 624 Cb 0.46 0.00 0.12 0.00 -1.35 0.00 0.00 41.12 40.35 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 4.94 0.51 3.54 6.12 0.00 -1.26 -4.95 105.19 114.10 1u2j n GLY 625 Ca 0.00 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 0.27 -0.58 -0.44 1.61 2.88 -1.26 -4.93 113.62 111.18 1u2j n SER 626 Ca 0.09 0.50 0.07 0.00 -1.33 0.00 0.00 58.87 58.20 1u2j n SER 626 Cb 0.28 -1.33 0.03 0.00 -0.75 0.00 0.00 64.21 62.43 1u2j n SER 626 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1u2j n LYS 627 N -2.12 1.46 -1.66 -1.46 4.81 -1.26 -4.89 118.16 113.04 1u2j n LYS 627 Ca 0.10 -1.03 -0.47 0.00 -0.87 0.00 0.00 58.31 56.05 1u2j n LYS 627 Cb 0.51 -1.24 -0.04 0.00 0.02 0.00 0.00 35.03 34.28 1u2j n LYS 627 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1u2j n ASN 628 N 0.29 2.81 0.00 3.14 3.02 -1.26 -0.00 115.26 123.25 1u2j n ASN 628 Ca 0.07 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.72 1u2j n ASN 628 Cb 0.33 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.10 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 3.03 1.98 3.08 7.41 0.00 0.14 -4.83 105.19 116.00 1u2j n GLY 629 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.95 2.65 -2.01 1.61 0.31 1.00 -4.74 118.33 115.19 1u2j n VAL 630 Ca 0.00 -2.43 -0.42 0.00 -0.01 0.00 0.00 64.34 61.48 1u2j n VAL 630 Cb 0.00 -2.41 0.00 0.00 -0.91 0.00 0.00 33.84 30.53 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 7.94 3.24 -3.57 3.52 3.72 -1.26 -4.87 117.46 126.19 1u2j n PHE 631 Ca 0.50 -2.89 -0.12 0.00 -0.05 0.00 0.00 57.45 54.90 1u2j n PHE 631 Cb 0.41 -2.27 -0.05 0.00 -0.94 0.00 0.00 39.48 36.64 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 1.85 0.00 -2.06 4.37 -1.32 -1.26 -4.09 115.64 113.12 1u2j s THR 632 Ca 0.44 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.17 1u2j s THR 632 Cb 0.12 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.36 1u2j s THR 632 CO -0.05 0.00 1.47 -0.90 -2.21 0.00 0.00 174.62 172.93 1u2j n ASP 633 N 0.71 1.50 -3.80 8.08 5.75 -1.26 -4.58 116.55 122.95 1u2j n ASP 633 Ca -0.11 -1.24 -0.30 0.00 -0.01 0.00 0.00 54.79 53.13 1u2j n ASP 633 Cb 0.58 0.18 -0.13 0.00 -1.03 0.00 0.00 41.12 40.71 1u2j n ASP 633 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u2j s ARG 634 N -2.36 1.53 0.06 0.11 1.04 -1.26 -5.09 118.95 112.99 1u2j s ARG 634 Ca 0.26 -2.21 -0.31 0.00 -1.04 0.00 0.00 55.73 52.43 1u2j s ARG 634 Cb 0.19 -2.71 -0.06 0.00 -2.04 0.00 0.00 34.95 30.33 1u2j s ARG 634 CO 0.48 -1.13 1.31 0.08 -0.04 0.00 0.00 175.30 175.99 1u2j s VAL 635 N 0.15 3.72 0.00 4.99 1.01 -1.26 -2.61 120.40 126.39 1u2j s VAL 635 Ca 0.17 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.36 1u2j s VAL 635 Cb -0.25 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1u2j s VAL 635 CO -0.00 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1u2j n GLY 636 N 3.41 0.64 3.51 4.51 0.00 0.17 -4.95 105.19 112.49 1u2j n GLY 636 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 3.94 -1.07 1.61 0.11 -1.07 -4.38 120.40 117.54 1u2j s VAL 637 Ca 0.00 -0.34 -0.22 0.00 -2.93 0.00 0.00 61.98 58.48 1u2j s VAL 637 Cb 0.00 -2.72 -0.00 0.00 -1.53 0.00 0.00 36.38 32.13 1u2j s VAL 637 CO 0.00 0.50 1.74 -0.22 -3.33 0.00 0.00 175.10 173.79 1u2j s LEU 638 N 0.26 3.38 0.38 2.54 2.96 -0.81 -4.68 118.68 122.72 1u2j s LEU 638 Ca -0.03 -1.44 0.08 0.00 -0.22 0.00 0.00 54.13 52.52 1u2j s LEU 638 Cb -0.14 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.93 1u2j s LEU 638 CO 0.03 -2.11 0.12 -0.94 -1.32 0.00 0.00 176.35 172.13 1u2j s SER 639 N 6.04 4.36 -0.27 3.68 1.04 -1.26 -4.78 113.70 122.51 1u2j s SER 639 Ca 0.59 -1.02 0.01 0.00 0.48 0.00 0.00 55.95 56.00 1u2j s SER 639 Cb -0.01 -0.53 0.30 0.00 0.10 0.00 0.00 66.02 65.88 1u2j s SER 639 CO 0.00 -0.41 1.68 -0.46 0.98 0.00 0.00 173.24 175.03 1u2j n ASN 640 N -1.13 4.56 0.23 7.02 6.94 -1.26 -4.53 115.26 127.10 1u2j n ASN 640 Ca -0.02 -2.94 0.15 0.00 -0.02 0.00 0.00 54.58 51.75 1u2j n ASN 640 Cb 0.64 -0.81 0.55 0.00 -2.36 0.00 0.00 39.78 37.79 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 0.89 0.00 -0.37 0.53 3.32 -1.88 -2.69 116.42 116.21 1u2j h ASP 641 Ca 0.33 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.33 1u2j h ASP 641 Cb 1.58 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.11 1u2j h ASP 641 CO 0.67 0.00 0.05 0.15 -1.72 0.00 0.00 179.24 178.38 1u2j h PHE 642 N 0.00 0.67 0.04 4.55 3.57 -1.78 -1.43 116.94 122.56 1u2j h PHE 642 Ca 0.00 -0.10 -0.13 0.00 3.53 0.00 0.00 57.97 61.27 1u2j h PHE 642 Cb 0.56 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 39.13 1u2j h PHE 642 CO 0.00 0.68 -0.53 0.74 -2.23 0.00 0.00 178.31 176.97 1u2j h PHE 643 N 0.46 0.46 -0.40 0.41 0.04 -1.84 0.43 116.94 116.50 1u2j h PHE 643 Ca 0.11 -0.28 0.07 0.00 2.80 0.00 0.00 57.97 60.67 1u2j h PHE 643 Cb 0.39 -0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.43 1u2j h PHE 643 CO 0.03 1.13 0.03 0.28 -0.60 0.00 0.00 178.31 179.17 1u2j h VAL 644 N -0.33 0.73 -0.03 -0.55 2.07 -1.48 -1.57 116.25 115.08 1u2j h VAL 644 Ca -0.08 -0.05 -0.19 0.00 0.82 0.00 0.00 66.70 67.21 1u2j h VAL 644 Cb 1.30 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1u2j h VAL 644 CO 0.10 0.03 -0.79 0.78 0.02 0.00 0.00 177.57 177.71 1u2j h ASN 645 N 0.14 0.34 -0.90 0.57 2.35 -1.25 -1.36 115.58 115.46 1u2j h ASN 645 Ca 0.20 -0.24 0.12 0.00 -0.55 0.00 0.00 56.30 55.83 1u2j h ASN 645 Cb 0.27 -0.10 -0.07 0.00 0.05 0.00 0.00 38.32 38.47 1u2j h ASN 645 CO -0.31 1.00 0.58 0.25 -1.65 0.00 0.00 177.43 177.30 1u2j h LEU 646 N 0.17 0.75 -1.06 1.61 5.85 -0.34 -2.86 115.31 119.43 1u2j h LEU 646 Ca -0.04 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1u2j h LEU 646 Cb 1.38 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1u2j h LEU 646 CO 0.13 0.41 -0.35 0.18 -0.34 0.00 0.00 178.44 178.46 1u2j n LEU 647 N -4.56 1.95 -4.67 2.25 7.99 -0.64 -4.94 117.00 114.38 1u2j n LEU 647 Ca 0.17 -0.80 -0.42 0.00 -0.01 0.00 0.00 56.01 54.95 1u2j n LEU 647 Cb 0.39 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.68 1u2j n LEU 647 CO 0.30 0.36 1.21 -0.62 -1.51 0.00 0.00 177.39 177.13 1u2j s ASP 648 N -2.11 6.80 0.42 -1.43 -1.08 -0.54 -4.84 116.67 113.89 1u2j s ASP 648 Ca 0.17 2.03 0.30 0.00 -0.52 0.00 0.00 52.55 54.53 1u2j s ASP 648 Cb 0.16 -2.54 1.39 0.00 -1.46 0.00 0.00 42.92 40.46 1u2j s ASP 648 CO 0.45 -0.82 1.89 0.24 0.52 0.00 0.00 175.17 177.45 1u2j h MET 649 N 8.66 0.00 -0.08 4.34 2.86 -1.90 -2.14 114.93 126.67 1u2j h MET 649 Ca -0.35 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.32 1u2j h MET 649 Cb 1.15 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 1u2j h MET 649 CO 0.95 0.00 0.10 0.07 1.06 0.00 0.00 176.91 179.09 1u2j h ARG 650 N 0.00 0.00 -5.68 1.72 0.11 -1.96 -3.44 114.38 105.14 1u2j h ARG 650 Ca 0.00 0.00 -0.66 0.00 0.10 0.00 0.00 59.98 59.42 1u2j h ARG 650 Cb 0.26 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 31.23 1u2j h ARG 650 CO 0.00 0.00 -0.54 0.71 0.10 0.00 0.00 179.97 180.24 1u2j s TYR 651 N -4.59 3.40 -0.14 4.08 1.51 -0.81 -1.67 117.35 119.14 1u2j s TYR 651 Ca -0.05 0.35 -0.02 0.00 -1.01 0.00 0.00 57.07 56.34 1u2j s TYR 651 Cb 0.15 -1.92 -0.02 0.00 -0.11 0.00 0.00 41.96 40.05 1u2j s TYR 651 CO 0.53 0.55 -0.08 -2.00 -1.11 0.00 0.00 175.55 173.44 1u2j s GLU 652 N -0.72 3.53 -0.15 -0.62 2.12 0.10 -4.85 118.70 118.10 1u2j s GLU 652 Ca 0.12 -0.59 -0.04 0.00 0.36 0.00 0.00 54.97 54.83 1u2j s GLU 652 Cb -0.12 -2.79 -0.03 0.00 0.26 0.00 0.00 34.13 31.46 1u2j s GLU 652 CO 0.03 0.25 -0.03 -1.58 -0.54 0.00 0.00 175.26 173.38 1u2j s TRP 653 N 0.31 3.04 -0.02 5.30 0.52 -1.25 0.61 118.94 127.45 1u2j s TRP 653 Ca -0.06 -0.24 0.00 0.00 0.02 0.00 0.00 56.10 55.81 1u2j s TRP 653 Cb -0.15 -1.95 0.03 0.00 -1.15 0.00 0.00 33.47 30.25 1u2j s TRP 653 CO 0.04 0.01 0.02 0.15 0.02 0.00 0.00 176.95 177.19 1u2j s LYS 654 N 0.28 0.08 0.09 4.98 1.02 -0.07 -4.94 119.74 121.18 1u2j s LYS 654 Ca -0.03 0.15 -0.36 0.00 0.02 0.00 0.00 55.97 55.75 1u2j s LYS 654 Cb -0.14 -0.33 -0.16 0.00 -0.52 0.00 0.00 37.83 36.69 1u2j s LYS 654 CO 0.03 -0.15 1.45 0.00 -0.92 0.00 0.00 175.35 175.76 1u2j n ALA 655 N 4.15 -0.12 0.00 5.17 0.00 -1.26 -0.82 120.51 127.64 1u2j n ALA 655 Ca -0.27 0.48 -0.05 0.00 0.00 0.00 0.00 53.44 53.59 1u2j n ALA 655 Cb 0.50 -2.19 0.15 0.00 0.00 0.00 0.00 19.45 17.92 1u2j n ALA 655 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1u2j h THR 656 N 3.57 1.29 -3.49 0.00 1.35 -1.50 -3.47 112.91 110.66 1u2j h THR 656 Ca -0.47 -1.44 -0.23 0.00 -0.55 0.00 0.00 66.41 63.72 1u2j h THR 656 Cb 1.31 1.47 -0.06 0.00 -1.73 0.00 0.00 68.15 69.13 1u2j h THR 656 CO 0.83 0.46 -0.18 -0.90 -0.25 0.00 0.00 175.52 175.47 1u2j n ASP 657 N -4.07 -0.67 0.00 5.36 5.68 -1.26 -5.05 116.55 116.55 1u2j n ASP 657 Ca -0.01 -2.27 0.05 0.00 -0.50 0.00 0.00 54.79 52.07 1u2j n ASP 657 Cb 0.47 1.34 0.45 0.00 -1.14 0.00 0.00 41.12 42.24 1u2j n ASP 657 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1u2j h GLU 658 N 0.00 0.48 0.00 0.11 4.11 -1.98 -1.55 114.58 115.75 1u2j h GLU 658 Ca -0.16 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.24 1u2j h GLU 658 Cb 0.74 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1u2j h GLU 658 CO 0.22 0.32 -0.00 0.66 0.07 0.00 0.00 179.01 180.28 1u2j h SER 659 N 0.50 0.00 -6.17 3.06 4.64 -1.98 -3.46 113.55 110.14 1u2j h SER 659 Ca 0.16 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 61.01 1u2j h SER 659 Cb 0.04 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.01 1u2j h SER 659 CO -0.04 0.00 -0.72 0.29 -0.87 0.00 0.00 176.83 175.50 1u2j n LYS 660 N -4.30 -3.91 0.00 4.77 5.02 -0.59 -4.87 118.16 114.29 1u2j n LYS 660 Ca -0.03 0.47 0.12 0.00 -2.02 0.00 0.00 58.31 56.85 1u2j n LYS 660 Cb 0.09 -5.25 0.25 0.00 -0.02 0.00 0.00 35.03 30.10 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 -4.24 0.58 -3.73 1.97 4.07 -1.26 -4.71 120.64 113.31 1u2j n GLU 661 Ca 0.04 -0.38 -0.17 0.00 -0.06 0.00 0.00 57.16 56.59 1u2j n GLU 661 Cb 0.52 -1.49 -0.17 0.00 -0.06 0.00 0.00 31.44 30.24 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 -2.68 0.68 0.05 4.31 2.96 -1.26 -4.23 118.68 118.51 1u2j s LEU 662 Ca 0.18 0.05 0.06 0.00 -0.22 0.00 0.00 54.13 54.21 1u2j s LEU 662 Cb 0.18 -0.11 -0.03 0.00 0.50 0.00 0.00 46.19 46.74 1u2j s LEU 662 CO 0.61 -0.18 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.92 1u2j s PHE 663 N 1.54 1.57 -0.15 5.38 0.40 -0.41 -1.15 117.98 125.17 1u2j s PHE 663 Ca -0.03 -0.38 -0.08 0.00 -0.60 0.00 0.00 56.93 55.84 1u2j s PHE 663 Cb -0.13 -0.92 -0.04 0.00 0.51 0.00 0.00 43.02 42.44 1u2j s PHE 663 CO -0.03 0.09 0.14 -1.21 0.70 0.00 0.00 175.22 174.90 1u2j s GLU 664 N -1.29 3.68 -0.39 0.44 2.02 0.00 -1.78 118.70 121.38 1u2j s GLU 664 Ca 0.05 -0.16 -0.12 0.00 0.02 0.00 0.00 54.97 54.75 1u2j s GLU 664 Cb -0.09 -3.26 0.03 0.00 0.10 0.00 0.00 34.13 30.91 1u2j s GLU 664 CO 0.02 0.63 0.24 0.20 0.02 0.00 0.00 175.26 176.37 1u2j s GLY 665 N -0.59 1.96 -0.04 -1.39 0.00 0.18 -0.89 107.32 106.56 1u2j s GLY 665 Ca 0.13 -1.75 -0.04 0.00 0.00 0.00 0.00 44.72 43.06 1u2j s GLY 665 CO 0.02 0.88 0.16 -1.60 0.00 0.00 0.00 173.10 172.56 1u2j s ARG 666 N 1.59 3.39 -0.42 2.90 3.52 0.20 -0.87 118.95 129.27 1u2j s ARG 666 Ca 0.03 -0.29 -0.28 0.00 -0.13 0.00 0.00 55.73 55.06 1u2j s ARG 666 Cb -0.19 -3.09 0.02 0.00 -1.56 0.00 0.00 34.95 30.13 1u2j s ARG 666 CO 0.07 0.70 1.06 0.34 -0.81 0.00 0.00 175.30 176.66 1u2j s ASP 667 N -1.66 6.69 0.45 -2.12 -1.08 0.91 0.01 116.67 119.87 1u2j s ASP 667 Ca 0.23 0.58 0.11 0.00 -0.52 0.00 0.00 52.55 52.96 1u2j s ASP 667 Cb -0.12 -2.52 1.03 0.00 -1.46 0.00 0.00 42.92 39.84 1u2j s ASP 667 CO 0.14 -1.07 2.08 0.03 0.52 0.00 0.00 175.17 176.87 1u2j h ARG 668 N 8.80 0.25 0.13 4.34 3.08 -1.65 0.52 114.38 129.86 1u2j h ARG 668 Ca -0.23 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 1u2j h ARG 668 Cb 1.07 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1u2j h ARG 668 CO 1.07 0.20 -0.06 0.93 -1.07 0.00 0.00 179.97 181.04 1u2j h GLU 669 N 0.26 -0.17 -0.00 0.04 5.08 -1.91 -3.37 114.58 114.50 1u2j h GLU 669 Ca 0.07 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1u2j h GLU 669 Cb 0.04 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1u2j h GLU 669 CO -0.01 0.25 -0.44 0.25 -1.00 0.00 0.00 179.01 178.06 1u2j n THR 670 N -4.88 0.00 -0.61 1.13 -2.24 -1.08 -4.93 114.28 101.67 1u2j n THR 670 Ca -0.07 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1u2j n THR 670 Cb 0.25 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1u2j n THR 670 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u2j n GLY 671 N 1.44 0.61 3.70 3.38 0.00 0.18 -4.97 105.19 109.53 1u2j n GLY 671 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.46 4.46 -0.28 1.61 -1.05 -1.25 -4.69 118.70 117.05 1u2j s GLU 672 Ca 0.00 1.56 -0.28 0.00 -0.15 0.00 0.00 54.97 56.11 1u2j s GLU 672 Cb 0.00 -3.46 -0.05 0.00 -0.44 0.00 0.00 34.13 30.18 1u2j s GLU 672 CO 0.00 -0.22 2.24 0.08 0.95 0.00 0.00 175.26 178.31 1u2j s VAL 673 N 1.39 3.03 -0.12 1.83 1.01 -1.26 -0.07 120.40 126.21 1u2j s VAL 673 Ca 0.54 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.58 1u2j s VAL 673 Cb -0.24 -3.04 -0.24 0.00 0.00 0.00 0.00 36.38 32.86 1u2j s VAL 673 CO 0.26 -0.03 0.34 1.17 0.00 0.00 0.00 175.10 176.84 1u2j n LYS 674 N 8.81 0.70 -4.13 2.72 3.00 -0.05 -4.94 118.16 124.27 1u2j n LYS 674 Ca 0.31 0.23 -0.12 0.00 -0.00 0.00 0.00 58.31 58.73 1u2j n LYS 674 Cb 0.47 -1.69 -0.11 0.00 0.00 0.00 0.00 35.03 33.71 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 -2.56 0.85 0.36 5.64 0.08 -0.85 -4.99 117.98 116.51 1u2j s PHE 675 Ca -0.18 -0.72 0.07 0.00 0.12 0.00 0.00 56.93 56.23 1u2j s PHE 675 Cb 0.07 -0.49 -0.07 0.00 -0.57 0.00 0.00 43.02 41.96 1u2j s PHE 675 CO 0.77 -0.10 -0.03 0.95 -0.10 0.00 0.00 175.22 176.71 1u2j s THR 676 N -2.61 1.94 -0.15 0.64 -4.23 -1.26 0.51 115.64 110.47 1u2j s THR 676 Ca 0.03 -2.09 -0.30 0.00 -1.18 0.00 0.00 61.69 58.15 1u2j s THR 676 Cb -0.02 -2.77 0.13 0.00 1.34 0.00 0.00 72.50 71.18 1u2j s THR 676 CO -0.02 -0.12 1.00 0.00 -0.54 0.00 0.00 174.62 174.94 1u2j s ALA 677 N -2.79 -1.93 0.10 3.99 0.00 -0.73 0.26 121.76 120.66 1u2j s ALA 677 Ca 0.33 1.54 0.01 0.00 0.00 0.00 0.00 51.96 53.84 1u2j s ALA 677 Cb 0.06 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.58 1u2j s ALA 677 CO 0.16 -0.35 0.08 -1.13 0.00 0.00 0.00 175.76 174.52 1u2j n SER 678 N 0.61 1.34 0.16 0.00 3.41 -1.26 -1.29 113.62 116.59 1u2j n SER 678 Ca -0.10 -1.36 0.01 0.00 -0.26 0.00 0.00 58.87 57.17 1u2j n SER 678 Cb 0.58 -0.01 0.23 0.00 -0.26 0.00 0.00 64.21 64.76 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 0.00 0.00 4.33 3.08 -1.84 -0.59 114.38 119.36 1u2j h ARG 679 Ca -0.07 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 1u2j h ARG 679 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1u2j h ARG 679 CO 0.10 0.52 -0.48 0.00 -1.07 0.00 0.00 179.97 179.05 1u2j h ALA 680 N 1.48 1.16 0.17 0.04 0.00 -1.94 0.14 119.26 120.31 1u2j h ALA 680 Ca -0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1u2j h ALA 680 Cb 1.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1u2j h ALA 680 CO 0.07 0.60 -0.08 -0.44 0.00 0.00 0.00 179.25 179.40 1u2j h ASP 681 N 0.00 -0.19 0.29 0.00 3.32 -1.77 -3.38 116.42 114.68 1u2j h ASP 681 Ca -0.00 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1u2j h ASP 681 Cb 0.87 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.47 1u2j h ASP 681 CO 0.06 -0.06 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.38 1u2j h LEU 682 N -0.38 0.00 -1.89 1.55 4.07 -1.12 -2.44 115.31 115.10 1u2j h LEU 682 Ca -0.02 0.00 0.24 0.00 0.08 0.00 0.00 57.88 58.17 1u2j h LEU 682 Cb 0.17 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.87 1u2j h LEU 682 CO 0.04 0.07 0.60 1.62 -1.08 0.00 0.00 178.44 179.69 1u2j h VAL 683 N 0.00 0.60 0.00 1.22 3.04 -0.89 0.13 116.25 120.35 1u2j h VAL 683 Ca -0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1u2j h VAL 683 Cb 0.23 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.01 1u2j h VAL 683 CO 0.01 0.02 0.00 0.49 -1.01 0.00 0.00 177.57 177.08 1u2j n PHE 684 N -4.34 0.50 0.08 3.17 3.72 -0.92 -1.39 117.46 118.28 1u2j n PHE 684 Ca 0.18 0.21 0.07 0.00 -0.05 0.00 0.00 57.45 57.86 1u2j n PHE 684 Cb 0.86 -0.84 -0.11 0.00 -0.94 0.00 0.00 39.48 38.45 1u2j n PHE 684 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1u2j n GLY 685 N -0.38 -0.61 0.06 1.37 0.00 0.39 -2.60 105.19 103.43 1u2j n GLY 685 Ca 0.02 -0.35 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 1u2j n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u2j n SER 686 N -1.91 1.11 -4.72 1.61 3.41 -0.88 -4.83 113.62 107.41 1u2j n SER 686 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.17 1u2j n SER 686 Cb 0.35 1.08 -0.03 0.00 -0.26 0.00 0.00 64.21 65.35 1u2j n SER 686 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1u2j s ASN 687 N -4.73 7.04 0.10 4.04 2.47 -0.49 -4.98 114.94 118.39 1u2j s ASN 687 Ca -0.07 2.16 -0.24 0.00 0.42 0.00 0.00 52.86 55.12 1u2j s ASN 687 Cb 0.06 -2.59 -0.13 0.00 -1.45 0.00 0.00 41.25 37.14 1u2j s ASN 687 CO 0.66 -0.46 1.71 0.28 -3.72 0.00 0.00 177.10 175.57 1u2j h SER 688 N 6.14 -0.20 -0.25 -4.21 0.02 -1.90 0.14 113.55 113.29 1u2j h SER 688 Ca -0.43 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.56 1u2j h SER 688 Cb 1.21 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 1u2j h SER 688 CO 0.79 -0.12 0.13 0.58 -1.14 0.00 0.00 176.83 177.07 1u2j h VAL 689 N -0.17 1.00 -0.57 2.27 2.07 -1.98 -2.80 116.25 116.07 1u2j h VAL 689 Ca 0.01 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 1u2j h VAL 689 Cb 0.17 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1u2j h VAL 689 CO -0.02 0.05 0.04 -0.07 0.02 0.00 0.00 177.57 177.58 1u2j h LEU 690 N 0.27 0.96 -1.19 2.57 3.38 -1.80 -3.01 115.31 116.50 1u2j h LEU 690 Ca 0.10 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.83 1u2j h LEU 690 Cb 0.03 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 1u2j h LEU 690 CO -0.07 1.01 0.56 -0.09 0.09 0.00 0.00 178.44 179.95 1u2j h ARG 691 N 0.88 0.99 0.00 1.13 2.43 -0.46 0.84 114.38 120.19 1u2j h ARG 691 Ca 0.17 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1u2j h ARG 691 Cb 0.50 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1u2j h ARG 691 CO 0.02 0.66 -0.06 0.00 -1.51 0.00 0.00 179.97 179.08 1u2j h ALA 692 N 1.51 1.08 0.12 2.80 0.00 -1.36 0.13 119.26 123.55 1u2j h ALA 692 Ca 0.35 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.89 1u2j h ALA 692 Cb 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1u2j h ALA 692 CO -0.12 0.07 -1.69 0.28 0.00 0.00 0.00 179.25 177.79 1u2j h VAL 693 N 0.00 0.83 -0.47 0.00 2.07 -0.93 -3.27 116.25 114.48 1u2j h VAL 693 Ca -0.00 -2.37 0.08 0.00 0.82 0.00 0.00 66.70 65.23 1u2j h VAL 693 Cb 0.37 2.57 -0.07 0.00 -1.52 0.00 0.00 31.29 32.65 1u2j h VAL 693 CO 0.01 0.76 0.08 0.00 0.02 0.00 0.00 177.57 178.44 1u2j h ALA 694 N -0.03 0.51 -0.61 1.67 0.00 -0.66 -2.38 119.26 117.77 1u2j h ALA 694 Ca -0.37 0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.78 1u2j h ALA 694 Cb 1.88 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 19.71 1u2j h ALA 694 CO 0.06 -0.33 -0.02 0.93 0.00 0.00 0.00 179.25 179.89 1u2j h GLU 695 N 0.20 0.09 -0.73 0.00 5.08 -0.86 -0.95 114.58 117.41 1u2j h GLU 695 Ca 0.24 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 1u2j h GLU 695 Cb 0.32 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1u2j h GLU 695 CO -0.33 0.06 0.48 0.28 -1.00 0.00 0.00 179.01 178.51 1u2j h VAL 696 N 0.10 1.06 -0.00 3.13 2.07 -1.47 0.15 116.25 121.28 1u2j h VAL 696 Ca 0.31 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1u2j h VAL 696 Cb 0.50 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1u2j h VAL 696 CO -0.54 0.15 -0.47 -1.22 0.02 0.00 0.00 177.57 175.51 1u2j n TYR 697 N -4.47 0.00 1.20 1.57 4.01 -0.78 -3.27 117.16 115.42 1u2j n TYR 697 Ca 0.10 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.97 1u2j n TYR 697 Cb 0.19 -0.18 0.28 0.00 -0.31 0.00 0.00 39.34 39.32 1u2j n TYR 697 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1u2j n ALA 698 N -1.20 2.51 -1.52 -0.72 0.00 0.51 -4.70 120.51 115.40 1u2j n ALA 698 Ca 0.07 -0.59 -0.34 0.00 0.00 0.00 0.00 53.44 52.58 1u2j n ALA 698 Cb 0.34 -0.96 0.06 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.99 4.79 0.39 0.00 0.01 -1.03 -4.67 113.70 111.19 1u2j s SER 699 Ca 0.32 2.25 0.17 0.00 1.31 0.00 0.00 55.95 60.00 1u2j s SER 699 Cb 0.20 -2.58 1.07 0.00 0.21 0.00 0.00 66.02 64.93 1u2j s SER 699 CO 0.31 -1.86 1.76 0.77 0.41 0.00 0.00 173.24 174.64 1u2j h SER 700 N 0.17 0.48 0.14 2.44 4.64 -1.93 -2.49 113.55 116.99 1u2j h SER 700 Ca -0.48 0.09 -0.18 0.00 -0.47 0.00 0.00 61.79 60.75 1u2j h SER 700 Cb 1.28 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.35 1u2j h SER 700 CO 0.53 0.09 -2.04 -0.90 -0.87 0.00 0.00 176.83 173.63 1u2j n ASP 701 N -4.67 0.16 -0.26 4.97 5.68 -1.26 -4.70 116.55 116.47 1u2j n ASP 701 Ca 0.26 0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.62 1u2j n ASP 701 Cb 0.86 1.25 0.00 0.00 -1.14 0.00 0.00 41.12 42.09 1u2j n ASP 701 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1u2j n ALA 702 N -2.48 2.33 -0.26 2.12 0.00 -0.94 -4.09 120.51 117.19 1u2j n ALA 702 Ca -0.17 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.31 1u2j n ALA 702 Cb 0.86 -1.00 0.17 0.00 0.00 0.00 0.00 19.45 19.48 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 0.07 0.60 0.05 0.00 -0.00 -1.84 0.74 115.15 114.77 1u2j h HIS 703 Ca 0.00 0.03 -0.28 0.00 -0.00 0.00 0.00 60.37 60.12 1u2j h HIS 703 Cb 0.23 -0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.45 1u2j h HIS 703 CO 0.00 0.15 -1.48 1.05 -0.00 0.00 0.00 177.93 177.65 1u2j h GLU 704 N 0.54 0.11 -0.55 5.26 4.11 -1.99 -2.23 114.58 119.82 1u2j h GLU 704 Ca 0.39 -0.18 -0.07 0.00 0.07 0.00 0.00 59.36 59.58 1u2j h GLU 704 Cb 0.52 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1u2j h GLU 704 CO -0.34 0.89 0.09 -0.22 0.07 0.00 0.00 179.01 179.49 1u2j h LYS 705 N 0.03 0.91 0.05 1.06 3.11 -1.77 -2.19 116.57 117.78 1u2j h LYS 705 Ca -0.21 -0.25 0.01 0.00 -2.81 0.00 0.00 60.65 57.40 1u2j h LYS 705 Cb 1.95 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 33.06 1u2j h LYS 705 CO 0.12 0.88 -0.11 0.35 -2.81 0.00 0.00 179.45 177.89 1u2j h PHE 706 N 0.80 -0.29 -0.38 1.91 3.57 -0.83 -1.53 116.94 120.20 1u2j h PHE 706 Ca 0.17 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.75 1u2j h PHE 706 Cb 0.42 0.12 -0.08 0.00 2.79 0.00 0.00 35.95 39.20 1u2j h PHE 706 CO 0.03 -0.17 -0.14 0.28 -2.23 0.00 0.00 178.31 176.08 1u2j h VAL 707 N -0.22 0.54 -0.15 1.41 2.07 -1.30 0.53 116.25 119.13 1u2j h VAL 707 Ca 0.02 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.43 1u2j h VAL 707 Cb 0.24 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1u2j h VAL 707 CO -0.08 0.00 -0.41 0.07 0.02 0.00 0.00 177.57 177.18 1u2j h LYS 708 N -0.06 0.35 -0.20 1.57 2.10 -1.33 0.36 116.57 119.36 1u2j h LYS 708 Ca 0.19 -0.17 -0.07 0.00 -2.00 0.00 0.00 60.65 58.60 1u2j h LYS 708 Cb 0.34 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1u2j h LYS 708 CO -0.42 0.70 -0.16 -0.44 -2.00 0.00 0.00 179.45 177.13 1u2j h ASP 709 N 0.29 0.33 -0.05 7.07 3.45 -0.85 -1.03 116.42 125.63 1u2j h ASP 709 Ca 0.03 -0.08 -0.20 0.00 0.43 0.00 0.00 57.03 57.20 1u2j h ASP 709 Cb 0.84 -0.09 0.01 0.00 -0.56 0.00 0.00 39.33 39.54 1u2j h ASP 709 CO 0.07 0.52 -0.76 0.15 -1.57 0.00 0.00 179.24 177.65 1u2j h PHE 710 N 0.32 0.86 0.01 4.55 3.57 -0.32 -1.32 116.94 124.61 1u2j h PHE 710 Ca 0.06 -0.43 -0.00 0.00 3.53 0.00 0.00 57.97 61.13 1u2j h PHE 710 Cb 0.48 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1u2j h PHE 710 CO 0.01 1.25 -0.01 0.28 -2.23 0.00 0.00 178.31 177.62 1u2j h VAL 711 N 0.22 1.04 -0.57 1.41 2.07 -0.78 0.39 116.25 120.03 1u2j h VAL 711 Ca -0.08 -0.15 0.08 0.00 0.82 0.00 0.00 66.70 67.37 1u2j h VAL 711 Cb 1.42 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 32.27 1u2j h VAL 711 CO 0.15 0.04 0.22 0.00 0.02 0.00 0.00 177.57 178.00 1u2j h ALA 712 N 0.90 0.73 -0.30 1.67 0.00 -1.22 0.66 119.26 121.70 1u2j h ALA 712 Ca -0.00 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1u2j h ALA 712 Cb 0.08 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1u2j h ALA 712 CO 0.00 -0.17 -0.17 0.00 0.00 0.00 0.00 179.25 178.91 1u2j h ALA 713 N 1.37 0.43 -0.71 0.00 0.00 -0.96 0.24 119.26 119.63 1u2j h ALA 713 Ca 0.28 -0.34 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1u2j h ALA 713 Cb 0.31 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1u2j h ALA 713 CO -0.27 0.35 0.36 2.35 0.00 0.00 0.00 179.25 182.04 1u2j h TRP 714 N 0.41 0.65 -0.41 0.00 2.91 0.33 0.08 115.95 119.91 1u2j h TRP 714 Ca 0.06 0.03 -0.15 0.00 1.13 0.00 0.00 58.89 59.96 1u2j h TRP 714 Cb 0.70 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 29.16 1u2j h TRP 714 CO 0.06 0.24 -0.34 0.28 -1.03 0.00 0.00 178.44 177.65 1u2j h VAL 715 N 0.62 1.27 -0.38 2.65 2.07 0.54 -1.93 116.25 121.09 1u2j h VAL 715 Ca 0.35 -1.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1u2j h VAL 715 Cb 0.36 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1u2j h VAL 715 CO -0.26 0.51 0.16 0.50 0.02 0.00 0.00 177.57 178.49 1u2j h LYS 716 N 0.78 0.56 -0.50 1.57 3.64 0.20 -2.51 116.57 120.31 1u2j h LYS 716 Ca 0.07 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1u2j h LYS 716 Cb 0.94 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 1u2j h LYS 716 CO 0.09 0.53 0.24 0.28 -2.27 0.00 0.00 179.45 178.31 1u2j h VAL 717 N 0.47 1.20 -0.53 2.00 2.07 -0.97 -2.89 116.25 117.60 1u2j h VAL 717 Ca 0.13 -0.57 0.11 0.00 0.82 0.00 0.00 66.70 67.19 1u2j h VAL 717 Cb 0.18 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1u2j h VAL 717 CO -0.01 0.22 0.37 0.24 0.02 0.00 0.00 177.57 178.41 1u2j h MET 718 N 0.67 0.25 -0.60 1.57 2.86 -0.94 -2.34 114.93 116.40 1u2j h MET 718 Ca 0.17 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1u2j h MET 718 Cb 0.13 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1u2j h MET 718 CO -0.02 0.17 0.00 0.09 1.06 0.00 0.00 176.91 178.21 1u2j n ASN 719 N -4.45 3.62 -0.09 1.22 3.02 -0.99 -4.54 115.26 113.04 1u2j n ASN 719 Ca 0.09 -2.00 -0.06 0.00 -0.03 0.00 0.00 54.58 52.58 1u2j n ASN 719 Cb 0.42 -0.40 0.01 0.00 -0.61 0.00 0.00 39.78 39.19 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 3.57 -0.11 -1.63 3.41 3.38 -1.25 -0.43 115.31 122.26 1u2j h LEU 720 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1u2j h LEU 720 Cb 0.91 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1u2j h LEU 720 CO 0.00 -0.02 0.00 -0.90 0.09 0.00 0.00 178.44 177.61 1u2j n ASP 721 N -5.16 2.23 -3.65 -0.43 5.75 -1.26 -4.64 116.55 109.39 1u2j n ASP 721 Ca 0.01 -2.24 -0.41 0.00 -0.01 0.00 0.00 54.79 52.14 1u2j n ASP 721 Cb 0.16 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 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 0.17 4.58 -0.01 0.11 5.12 -0.17 -4.75 116.66 121.72 1u2j n ARG 722 Ca 0.08 -3.87 0.12 0.00 -1.93 0.00 0.00 57.85 52.25 1u2j n ARG 722 Cb 0.49 -2.64 0.55 0.00 -1.16 0.00 0.00 32.46 29.69 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 4.84 0.30 -0.46 -1.55 0.04 -1.85 -2.64 116.94 115.62 1u2j h PHE 723 Ca 0.55 0.01 -0.20 0.00 2.80 0.00 0.00 57.97 61.13 1u2j h PHE 723 Cb 0.41 -0.10 -0.12 0.00 2.20 0.00 0.00 35.95 38.34 1u2j h PHE 723 CO 1.41 0.15 0.25 -0.40 -0.60 0.00 0.00 178.31 179.12 1u2j n ASP 724 N -4.46 3.41 0.00 2.17 5.75 -1.26 -3.42 116.55 118.74 1u2j n ASP 724 Ca 0.07 -2.74 0.00 0.00 -0.01 0.00 0.00 54.79 52.12 1u2j n ASP 724 Cb 0.35 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 1u2j n ASP 724 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1u2j n LEU 725 N -0.17 0.00 -0.13 -2.12 4.77 -1.00 -5.20 117.00 113.15 1u2j n LEU 725 Ca 0.26 -0.21 0.02 0.00 -0.03 0.00 0.00 56.01 56.05 1u2j n LEU 725 Cb 1.01 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.11 1u2j n LEU 725 CO 0.27 0.00 0.30 0.00 -1.33 0.00 0.00 177.39 176.64