#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u2j n ILE 433 N 0.00 0.04 -3.92 1.47 5.41 -1.26 -5.04 119.36 116.06 1u2j n ILE 433 Ca 0.00 0.01 -0.35 0.00 1.00 0.00 0.00 62.75 63.42 1u2j n ILE 433 Cb 0.00 -1.26 -0.06 0.00 -0.71 0.00 0.00 39.64 37.61 1u2j n ILE 433 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 176.55 177.41 1u2j s TRP 434 N -2.00 3.54 -0.05 1.39 -0.11 -1.26 -5.10 118.94 115.35 1u2j s TRP 434 Ca 0.00 0.41 -0.01 0.00 1.22 0.00 0.00 56.10 57.72 1u2j s TRP 434 Cb 0.00 -1.86 0.03 0.00 -1.50 0.00 0.00 33.47 30.13 1u2j s TRP 434 CO 0.00 0.67 0.00 -0.65 -4.62 0.00 0.00 176.95 172.36 1u2j s GLN 435 N -1.53 0.46 -0.29 5.86 -0.21 -1.26 -5.12 119.66 117.56 1u2j s GLN 435 Ca 0.22 0.12 -0.26 0.00 0.02 0.00 0.00 55.36 55.45 1u2j s GLN 435 Cb -0.12 -0.77 0.01 0.00 1.00 0.00 0.00 33.01 33.13 1u2j s GLN 435 CO 0.12 -0.24 0.91 -0.51 -2.12 0.00 0.00 175.29 173.45 1u2j s ASP 436 N 1.65 6.82 0.86 5.90 1.01 -1.26 -5.03 116.67 126.62 1u2j s ASP 436 Ca -0.00 0.91 -0.11 0.00 0.71 0.00 0.00 52.55 54.06 1u2j s ASP 436 Cb -0.13 -2.47 0.11 0.00 1.01 0.00 0.00 42.92 41.45 1u2j s ASP 436 CO -0.03 -0.70 1.15 -2.84 0.21 0.00 0.00 175.17 172.96 1u2j s PRO 437 N 3.20 1.40 -0.11 8.23 0.02 -1.26 -5.07 135.00 141.41 1u2j s PRO 437 Ca 0.38 1.54 -0.09 0.00 0.02 0.00 0.00 61.00 62.85 1u2j s PRO 437 Cb -0.14 -1.77 0.03 0.00 0.02 0.00 0.00 34.50 32.65 1u2j s PRO 437 CO 0.12 -2.35 0.29 -0.51 -0.33 0.00 0.00 177.00 174.23 1u2j s LEU 438 N -6.24 0.72 0.72 -5.54 2.01 -1.26 -4.91 118.68 104.17 1u2j s LEU 438 Ca 0.67 0.60 -0.13 0.00 0.01 0.00 0.00 54.13 55.28 1u2j s LEU 438 Cb -0.23 0.98 0.03 0.00 0.01 0.00 0.00 46.19 46.98 1u2j s LEU 438 CO 0.55 -0.12 1.12 -2.16 1.01 0.00 0.00 176.35 176.75 1u2j s PRO 439 N 0.45 2.44 0.83 1.29 0.04 -1.26 -5.02 135.00 133.77 1u2j s PRO 439 Ca -0.02 1.38 -0.12 0.00 0.04 0.00 0.00 61.00 62.28 1u2j s PRO 439 Cb -0.04 -1.91 0.10 0.00 0.04 0.00 0.00 34.50 32.69 1u2j s PRO 439 CO -0.02 -1.53 1.17 -1.14 0.04 0.00 0.00 177.00 175.53 1u2j s GLN 440 N -4.34 1.55 0.39 4.56 2.00 -1.26 -4.93 119.66 117.62 1u2j s GLN 440 Ca 0.66 1.63 -0.26 0.00 -2.00 0.00 0.00 55.36 55.40 1u2j s GLN 440 Cb -0.21 -1.78 -0.09 0.00 0.80 0.00 0.00 33.01 31.74 1u2j s GLN 440 CO 0.47 -2.26 1.17 -2.14 -0.50 0.00 0.00 175.29 172.04 1u2j s PRO 441 N -4.35 4.11 -0.09 1.67 0.02 -1.26 -4.96 135.00 130.14 1u2j s PRO 441 Ca 0.70 1.85 0.13 0.00 0.02 0.00 0.00 61.00 63.70 1u2j s PRO 441 Cb -0.26 -2.72 0.26 0.00 0.02 0.00 0.00 34.50 31.80 1u2j s PRO 441 CO 0.53 -0.28 1.13 0.44 -0.33 0.00 0.00 177.00 178.49 1u2j n ILE 442 N 0.17 1.12 -4.38 2.83 -6.64 -1.26 -5.05 119.36 106.15 1u2j n ILE 442 Ca 0.04 -1.64 -0.20 0.00 -1.77 0.00 0.00 62.75 59.18 1u2j n ILE 442 Cb 0.46 0.17 -0.10 0.00 -1.44 0.00 0.00 39.64 38.73 1u2j n ILE 442 CO 0.00 0.00 0.00 -0.31 -1.77 0.00 0.00 176.55 174.47 1u2j s TYR 443 N -1.68 1.82 -0.48 4.28 4.12 -1.26 -5.06 117.35 119.09 1u2j s TYR 443 Ca 0.25 -0.66 0.06 0.00 0.02 0.00 0.00 57.07 56.74 1u2j s TYR 443 Cb 0.24 -0.96 0.21 0.00 -1.52 0.00 0.00 41.96 39.93 1u2j s TYR 443 CO -0.03 0.29 0.69 -1.71 0.02 0.00 0.00 175.55 174.81 1u2j n ASN 444 N -0.48 -2.40 -4.63 2.29 4.05 -1.26 -5.03 115.26 107.80 1u2j n ASN 444 Ca -0.06 -2.92 -0.49 0.00 0.45 0.00 0.00 54.58 51.56 1u2j n ASN 444 Cb 0.62 1.13 -0.05 0.00 1.23 0.00 0.00 39.78 42.71 1u2j n ASN 444 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1u2j n PRO 445 N 2.36 1.64 -2.13 1.20 -0.04 -1.13 -4.99 135.00 131.92 1u2j n PRO 445 Ca 0.18 0.59 -0.29 0.00 -0.04 0.00 0.00 63.50 63.94 1u2j n PRO 445 Cb 0.56 -2.28 0.03 0.00 -0.04 0.00 0.00 33.50 31.77 1u2j n PRO 445 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1u2j s THR 446 N 0.58 4.09 0.22 0.52 -4.23 -1.26 -4.90 115.64 110.65 1u2j s THR 446 Ca 0.80 0.43 -0.16 0.00 -1.18 0.00 0.00 61.69 61.58 1u2j s THR 446 Cb -0.81 -3.64 0.23 0.00 1.34 0.00 0.00 72.50 69.62 1u2j s THR 446 CO 0.44 -0.77 1.46 -0.62 -0.54 0.00 0.00 174.62 174.59 1u2j n GLU 447 N -2.71 -0.22 0.10 3.99 1.02 -1.26 -1.08 120.64 120.48 1u2j n GLU 447 Ca 0.05 1.45 -0.03 0.00 -0.02 0.00 0.00 57.16 58.60 1u2j n GLU 447 Cb 0.56 -2.15 0.16 0.00 -0.02 0.00 0.00 31.44 30.00 1u2j n GLU 447 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1u2j h GLN 448 N 0.00 0.19 -0.85 3.49 5.75 -1.99 -1.82 115.11 119.89 1u2j h GLN 448 Ca 0.33 -0.12 0.19 0.00 -0.15 0.00 0.00 58.65 58.90 1u2j h GLN 448 Cb 0.57 0.01 -0.11 0.00 1.07 0.00 0.00 27.48 29.02 1u2j h GLN 448 CO -0.93 0.69 0.36 -0.44 -2.65 0.00 0.00 178.83 175.86 1u2j h ASP 449 N 0.15 0.32 0.51 -0.69 3.45 -1.46 -1.88 116.42 116.81 1u2j h ASP 449 Ca -0.00 0.13 -0.27 0.00 0.43 0.00 0.00 57.03 57.33 1u2j h ASP 449 Cb 1.02 0.11 0.01 0.00 -0.56 0.00 0.00 39.33 39.90 1u2j h ASP 449 CO 0.08 0.05 -1.19 0.40 -1.57 0.00 0.00 179.24 177.02 1u2j h ILE 450 N 0.43 1.45 -0.16 0.35 2.04 -0.53 0.06 117.51 121.15 1u2j h ILE 450 Ca 0.50 -2.86 -0.02 0.00 1.00 0.00 0.00 64.86 63.48 1u2j h ILE 450 Cb 0.88 2.82 -0.01 0.00 -0.74 0.00 0.00 36.82 39.76 1u2j h ILE 450 CO -0.48 0.84 -0.01 0.40 0.00 0.00 0.00 178.15 178.90 1u2j h ILE 451 N 0.13 1.11 0.00 -0.67 2.04 -1.10 0.08 117.51 119.10 1u2j h ILE 451 Ca -0.13 -0.45 -0.15 0.00 1.00 0.00 0.00 64.86 65.12 1u2j h ILE 451 Cb 1.89 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.95 1u2j h ILE 451 CO 0.20 0.15 -1.43 0.47 0.00 0.00 0.00 178.15 177.54 1u2j n ASP 452 N -4.39 0.81 -0.14 1.72 8.00 -0.73 -1.66 116.55 120.16 1u2j n ASP 452 Ca -0.01 0.35 -0.08 0.00 0.71 0.00 0.00 54.79 55.76 1u2j n ASP 452 Cb 0.18 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1u2j n ASP 452 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1u2j h LEU 453 N 0.00 0.52 -0.13 0.64 3.38 -0.80 -2.01 115.31 116.91 1u2j h LEU 453 Ca -0.16 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1u2j h LEU 453 Cb 1.54 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 1u2j h LEU 453 CO 0.04 0.44 0.08 0.11 0.09 0.00 0.00 178.44 179.21 1u2j h LYS 454 N 0.56 0.18 -0.39 1.13 1.57 -0.94 0.12 116.57 118.79 1u2j h LYS 454 Ca 0.15 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1u2j h LYS 454 Cb 0.03 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1u2j h LYS 454 CO -0.03 0.15 0.26 0.35 -0.57 0.00 0.00 179.45 179.61 1u2j h PHE 455 N 0.16 0.49 0.08 -1.35 3.57 -1.32 0.63 116.94 119.19 1u2j h PHE 455 Ca 0.05 0.01 -0.27 0.00 3.53 0.00 0.00 57.97 61.29 1u2j h PHE 455 Cb 0.01 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 38.60 1u2j h PHE 455 CO -0.06 0.30 -1.14 0.00 -2.23 0.00 0.00 178.31 175.19 1u2j h ALA 456 N 1.76 0.16 -0.60 2.41 0.00 -0.89 -2.55 119.26 119.55 1u2j h ALA 456 Ca 0.15 -0.78 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 1u2j h ALA 456 Cb -0.05 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1u2j h ALA 456 CO -0.03 0.81 0.17 0.82 0.00 0.00 0.00 179.25 181.02 1u2j h ILE 457 N 0.20 1.25 0.00 0.00 2.04 -0.31 -2.96 117.51 117.73 1u2j h ILE 457 Ca -0.13 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1u2j h ILE 457 Cb 1.81 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1u2j h ILE 457 CO 0.20 0.32 0.00 0.00 0.00 0.00 0.00 178.15 178.68 1u2j n ALA 458 N -2.41 1.90 -0.97 1.87 0.00 0.17 -2.77 120.51 118.31 1u2j n ALA 458 Ca 0.03 -0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.55 1u2j n ALA 458 Cb 0.22 -1.38 0.23 0.00 0.00 0.00 0.00 19.45 18.53 1u2j n ALA 458 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1u2j n ASP 459 N -1.91 3.55 -0.14 0.00 2.03 -0.97 -4.46 116.55 114.64 1u2j n ASP 459 Ca 0.04 -2.99 0.12 0.00 0.52 0.00 0.00 54.79 52.48 1u2j n ASP 459 Cb 0.27 -0.51 0.24 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.65 0.90 -0.59 1.67 3.41 -1.11 -4.94 113.62 112.30 1u2j n SER 460 Ca 0.20 -0.70 -0.07 0.00 -0.26 0.00 0.00 58.87 58.04 1u2j n SER 460 Cb 0.82 0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 65.05 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 1.43 0.88 3.69 5.00 0.00 -1.26 -5.02 105.19 109.90 1u2j n GLY 461 Ca 0.08 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.73 4.24 0.94 0.99 1.43 -1.26 -5.03 118.68 118.25 1u2j s LEU 462 Ca 0.00 1.52 -0.15 0.00 -1.03 0.00 0.00 54.13 54.47 1u2j s LEU 462 Cb 0.00 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 1u2j s LEU 462 CO 0.00 -0.46 -0.09 -1.54 0.23 0.00 0.00 176.35 174.49 1u2j n SER 463 N 5.08 -3.66 -0.18 2.29 3.41 -1.26 -4.74 113.62 114.56 1u2j n SER 463 Ca 0.09 0.30 -0.01 0.00 -0.26 0.00 0.00 58.87 58.99 1u2j n SER 463 Cb 0.49 -1.02 0.07 0.00 -0.26 0.00 0.00 64.21 63.48 1u2j n SER 463 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1u2j h VAL 464 N -1.20 0.48 -0.45 -3.33 2.07 -1.93 -1.41 116.25 110.48 1u2j h VAL 464 Ca -0.44 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 1u2j h VAL 464 Cb 1.30 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1u2j h VAL 464 CO 0.31 0.01 -0.01 0.77 0.02 0.00 0.00 177.57 178.67 1u2j h SER 465 N 0.05 0.80 -0.65 0.57 4.64 -1.87 0.39 113.55 117.48 1u2j h SER 465 Ca 0.28 -0.31 0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1u2j h SER 465 Cb 0.44 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 1u2j h SER 465 CO -0.53 0.92 0.43 -0.33 -0.87 0.00 0.00 176.83 176.44 1u2j h GLU 466 N 0.66 0.82 -0.29 4.77 5.08 -1.86 0.94 114.58 124.70 1u2j h GLU 466 Ca 0.13 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 1u2j h GLU 466 Cb 0.51 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1u2j h GLU 466 CO 0.03 0.54 -0.37 -0.07 -1.00 0.00 0.00 179.01 178.14 1u2j h LEU 467 N 0.84 0.82 -0.77 1.33 3.38 0.36 -2.75 115.31 118.52 1u2j h LEU 467 Ca 0.25 -0.50 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 1u2j h LEU 467 Cb -0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1u2j h LEU 467 CO -0.06 1.16 0.00 0.58 0.09 0.00 0.00 178.44 180.21 1u2j h VAL 468 N 0.51 1.26 -0.18 1.22 2.07 -0.00 -3.22 116.25 117.90 1u2j h VAL 468 Ca 0.04 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 1u2j h VAL 468 Cb 0.96 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1u2j h VAL 468 CO 0.09 0.39 -0.01 0.28 0.02 0.00 0.00 177.57 178.34 1u2j h SER 469 N 0.86 0.32 -0.26 0.57 0.02 -0.65 -0.79 113.55 113.62 1u2j h SER 469 Ca 0.16 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 1u2j h SER 469 Cb 0.50 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1u2j h SER 469 CO 0.02 0.56 0.08 -0.37 -1.14 0.00 0.00 176.83 175.98 1u2j h VAL 470 N 0.07 1.20 -0.95 2.27 -1.51 -1.57 0.78 116.25 116.53 1u2j h VAL 470 Ca 0.05 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 1u2j h VAL 470 Cb 0.40 1.13 -0.05 0.00 -2.13 0.00 0.00 31.29 30.64 1u2j h VAL 470 CO 0.01 0.20 0.60 0.00 -1.23 0.00 0.00 177.57 177.15 1u2j h ALA 471 N 0.91 1.26 -0.29 5.19 0.00 -1.56 -0.10 119.26 124.67 1u2j h ALA 471 Ca 0.08 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1u2j h ALA 471 Cb 0.24 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1u2j h ALA 471 CO -0.00 0.66 -0.32 2.35 0.00 0.00 0.00 179.25 181.93 1u2j h TRP 472 N 1.30 0.88 0.00 0.00 2.91 -0.61 -2.15 115.95 118.29 1u2j h TRP 472 Ca 0.34 -0.27 -0.00 0.00 1.13 0.00 0.00 58.89 60.09 1u2j h TRP 472 Cb -0.09 -0.18 -0.00 0.00 -0.51 0.00 0.00 29.16 28.37 1u2j h TRP 472 CO 0.00 1.04 -0.02 0.00 -1.03 0.00 0.00 178.44 178.43 1u2j h ALA 473 N 0.70 1.68 0.13 2.65 0.00 0.10 -0.71 119.26 123.81 1u2j h ALA 473 Ca 0.04 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.64 1u2j h ALA 473 Cb 0.90 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1u2j h ALA 473 CO 0.08 0.02 -1.43 1.03 0.00 0.00 0.00 179.25 178.96 1u2j h SER 474 N 0.00 0.41 0.24 0.00 0.87 -0.65 -3.38 113.55 111.05 1u2j h SER 474 Ca -0.00 -0.52 -0.34 0.00 -1.23 0.00 0.00 61.79 59.71 1u2j h SER 474 Cb 0.04 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 61.81 1u2j h SER 474 CO 0.00 1.42 -2.03 0.00 -0.53 0.00 0.00 176.83 175.70 1u2j n ALA 475 N -2.62 1.38 1.02 6.23 0.00 -0.84 -3.00 120.51 122.68 1u2j n ALA 475 Ca -0.13 -0.92 0.09 0.00 0.00 0.00 0.00 53.44 52.48 1u2j n ALA 475 Cb 1.04 -0.56 0.51 0.00 0.00 0.00 0.00 19.45 20.44 1u2j n ALA 475 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1u2j n SER 476 N -3.07 0.00 0.03 0.00 3.41 -0.32 -2.29 113.62 111.38 1u2j n SER 476 Ca -0.27 -0.26 0.11 0.00 -0.26 0.00 0.00 58.87 58.19 1u2j n SER 476 Cb 1.07 -0.15 0.46 0.00 -0.26 0.00 0.00 64.21 65.33 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 -1.15 0.56 -1.77 6.66 -2.24 -1.26 -4.87 114.28 110.21 1u2j n THR 477 Ca 0.11 0.09 -0.40 0.00 -2.27 0.00 0.00 64.05 61.57 1u2j n THR 477 Cb 0.11 -0.78 0.01 0.00 -2.10 0.00 0.00 70.33 67.57 1u2j n THR 477 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1u2j n PHE 478 N -1.70 2.80 -3.94 4.78 7.35 -0.97 -4.24 117.46 121.55 1u2j n PHE 478 Ca 0.05 0.44 -0.28 0.00 -0.76 0.00 0.00 57.45 56.90 1u2j n PHE 478 Cb 0.27 -2.48 -0.17 0.00 0.35 0.00 0.00 39.48 37.45 1u2j n PHE 478 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1u2j s ARG 479 N -2.34 1.74 0.65 -4.13 0.52 -0.74 -4.45 118.95 110.20 1u2j s ARG 479 Ca 0.59 -0.35 -0.18 0.00 -0.52 0.00 0.00 55.73 55.27 1u2j s ARG 479 Cb -0.46 -1.75 -0.01 0.00 0.52 0.00 0.00 34.95 33.25 1u2j s ARG 479 CO 0.60 -0.26 1.28 0.20 0.02 0.00 0.00 175.30 177.13 1u2j s GLY 480 N 1.64 2.81 0.00 -3.53 0.00 0.10 -1.04 107.32 107.31 1u2j s GLY 480 Ca 0.05 1.17 0.00 0.00 0.00 0.00 0.00 44.72 45.94 1u2j s GLY 480 CO -0.09 1.59 0.00 0.61 0.00 0.00 0.00 173.10 175.21 1u2j n GLY 481 N 0.82 2.57 0.00 0.20 0.00 -1.26 -4.43 105.19 103.09 1u2j n GLY 481 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1u2j n GLY 481 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1u2j n ASP 482 N 0.00 3.60 0.00 1.61 5.68 -1.24 -5.03 116.55 121.18 1u2j n ASP 482 Ca 0.00 -0.14 0.00 0.00 -0.50 0.00 0.00 54.79 54.15 1u2j n ASP 482 Cb 0.00 1.02 0.00 0.00 -1.14 0.00 0.00 41.12 41.00 1u2j n ASP 482 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1u2j n LYS 483 N -1.38 0.00 -2.24 0.11 4.01 -0.21 -5.01 118.16 113.44 1u2j n LYS 483 Ca -0.00 0.13 -0.30 0.00 -0.51 0.00 0.00 58.31 57.63 1u2j n LYS 483 Cb 0.01 -3.07 -0.00 0.00 -0.51 0.00 0.00 35.03 31.46 1u2j n LYS 483 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1u2j s ARG 484 N -0.56 3.63 0.12 1.97 0.52 -1.24 -4.87 118.95 118.52 1u2j s ARG 484 Ca 0.00 0.58 0.00 0.00 -0.52 0.00 0.00 55.73 55.79 1u2j s ARG 484 Cb 0.00 -2.20 0.00 0.00 0.52 0.00 0.00 34.95 33.27 1u2j s ARG 484 CO 0.00 -0.38 0.00 0.41 0.02 0.00 0.00 175.30 175.35 1u2j n GLY 485 N -2.36 -3.04 0.00 -3.53 0.00 -1.26 -1.79 105.19 93.22 1u2j n GLY 485 Ca 0.04 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.27 1.98 0.19 -0.02 0.00 -1.26 -4.54 105.19 101.28 1u2j n GLY 486 Ca 0.00 -2.07 0.08 0.00 0.00 0.00 0.00 46.02 44.03 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 0.88 -2.74 4.61 0.00 -1.73 -3.43 119.26 116.85 1u2j h ALA 487 Ca 0.00 -0.23 -0.53 0.00 0.00 0.00 0.00 54.91 54.15 1u2j h ALA 487 Cb 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 17.79 17.81 1u2j h ALA 487 CO 0.00 0.32 0.82 1.21 0.00 0.00 0.00 179.25 181.61 1u2j s ASN 488 N -6.27 6.55 0.00 0.00 2.47 -1.26 -2.67 114.94 113.76 1u2j s ASN 488 Ca 0.04 2.75 0.00 0.00 0.42 0.00 0.00 52.86 56.07 1u2j s ASN 488 Cb 0.08 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 1u2j s ASN 488 CO 0.68 -0.79 0.00 0.61 -3.72 0.00 0.00 177.10 173.88 1u2j n GLY 489 N 2.48 0.59 3.94 1.21 0.00 0.15 -4.55 105.19 109.01 1u2j n GLY 489 Ca 0.09 0.00 -0.31 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 -1.44 -2.02 0.43 4.61 0.00 -1.09 -1.32 120.51 119.68 1u2j n ALA 490 Ca 0.00 -0.40 0.12 0.00 0.00 0.00 0.00 53.44 53.17 1u2j n ALA 490 Cb 0.00 -1.39 0.23 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.14 0.00 -0.38 0.00 3.08 -1.81 -2.63 114.38 111.49 1u2j h ARG 491 Ca -0.52 0.00 0.11 0.00 0.07 0.00 0.00 59.98 59.65 1u2j h ARG 491 Cb 1.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 1u2j h ARG 491 CO 0.44 0.00 0.39 1.25 -1.07 0.00 0.00 179.97 180.98 1u2j h LEU 492 N 0.00 0.00 0.00 3.04 5.85 -1.89 0.28 115.31 122.59 1u2j h LEU 492 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1u2j h LEU 492 Cb 0.85 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1u2j h LEU 492 CO 0.00 0.00 -0.07 0.00 -0.34 0.00 0.00 178.44 178.03 1u2j n ALA 493 N -2.37 2.41 -2.08 1.25 0.00 -0.99 -2.63 120.51 116.10 1u2j n ALA 493 Ca 0.07 -0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 1u2j n ALA 493 Cb 0.56 -1.43 0.02 0.00 0.00 0.00 0.00 19.45 18.61 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 -3.92 3.34 0.23 0.00 1.43 0.99 -4.73 118.68 116.03 1u2j s LEU 494 Ca 0.11 -0.69 -0.26 0.00 -1.03 0.00 0.00 54.13 52.27 1u2j s LEU 494 Cb 0.15 -2.08 -0.09 0.00 0.03 0.00 0.00 46.19 44.20 1u2j s LEU 494 CO 0.59 -1.00 0.85 -0.04 0.23 0.00 0.00 176.35 176.99 1u2j s MET 495 N -4.44 4.61 0.00 1.70 -1.94 -1.26 0.66 119.30 118.63 1u2j s MET 495 Ca 0.55 1.25 0.23 0.00 -1.71 0.00 0.00 55.69 56.01 1u2j s MET 495 Cb -0.07 -3.10 0.45 0.00 2.01 0.00 0.00 34.83 34.12 1u2j s MET 495 CO 0.34 0.46 1.41 -0.35 -0.01 0.00 0.00 175.02 176.87 1u2j n PRO 496 N 1.19 2.33 -0.05 2.03 -0.04 -1.26 -4.70 135.00 134.50 1u2j n PRO 496 Ca -0.02 -2.00 0.04 0.00 -0.04 0.00 0.00 63.50 61.47 1u2j n PRO 496 Cb 0.49 -1.49 0.39 0.00 -0.04 0.00 0.00 33.50 32.85 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 4.11 0.63 -0.66 0.54 4.20 -1.63 -2.35 115.11 119.95 1u2j h GLN 497 Ca 0.00 -0.04 0.15 0.00 0.06 0.00 0.00 58.65 58.82 1u2j h GLN 497 Cb 0.90 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.50 1u2j h GLN 497 CO 0.00 0.42 0.45 -0.09 -0.67 0.00 0.00 178.83 178.94 1u2j h ARG 498 N 0.65 0.25 -0.24 1.46 2.43 0.48 -2.92 114.38 116.48 1u2j h ARG 498 Ca 0.18 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1u2j h ARG 498 Cb -0.05 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1u2j h ARG 498 CO -0.04 0.16 0.00 -0.25 -1.51 0.00 0.00 179.97 178.33 1u2j n ASP 499 N -4.44 3.37 -4.73 -3.80 8.00 -0.89 -4.76 116.55 109.30 1u2j n ASP 499 Ca 0.12 -2.70 -0.42 0.00 0.71 0.00 0.00 54.79 52.51 1u2j n ASP 499 Cb 0.55 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 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 3.09 0.27 1.24 0.51 -1.11 -4.91 118.94 115.79 1u2j s TRP 500 Ca 0.34 0.91 -0.04 0.00 -2.12 0.00 0.00 56.10 55.19 1u2j s TRP 500 Cb 0.26 -3.81 0.56 0.00 -0.81 0.00 0.00 33.47 29.66 1u2j s TRP 500 CO 0.10 -2.79 1.62 -0.44 -0.51 0.00 0.00 176.95 174.93 1u2j h ASP 501 N 5.91 -0.34 0.20 2.95 3.45 -1.93 0.67 116.42 127.34 1u2j h ASP 501 Ca -0.44 0.22 0.00 0.00 0.43 0.00 0.00 57.03 57.24 1u2j h ASP 501 Cb 1.21 0.37 0.00 0.00 -0.56 0.00 0.00 39.33 40.35 1u2j h ASP 501 CO 0.83 -0.22 0.00 0.52 -1.57 0.00 0.00 179.24 178.81 1u2j n VAL 502 N -5.37 0.72 -0.01 -1.35 0.31 -1.26 -2.64 118.33 108.74 1u2j n VAL 502 Ca 0.17 0.18 0.05 0.00 -0.01 0.00 0.00 64.34 64.73 1u2j n VAL 502 Cb 0.57 -1.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.40 1u2j n VAL 502 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1u2j n ASN 503 N -1.28 2.09 0.00 4.52 3.02 0.22 -4.78 115.26 119.04 1u2j n ASN 503 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1u2j n ASN 503 Cb 0.09 1.51 0.03 0.00 -0.61 0.00 0.00 39.78 40.79 1u2j n ASN 503 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u2j n ALA 504 N -1.99 1.86 -0.08 5.41 0.00 -1.08 0.97 120.51 125.60 1u2j n ALA 504 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1u2j n ALA 504 Cb 0.38 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1u2j n ALA 504 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u2j n ALA 505 N -0.54 1.64 0.11 0.00 0.00 -1.26 -4.52 120.51 115.94 1u2j n ALA 505 Ca 0.01 -0.13 -0.23 0.00 0.00 0.00 0.00 53.44 53.08 1u2j n ALA 505 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1u2j n ALA 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u2j h ALA 506 N 0.00 -0.11 0.00 0.00 0.00 0.30 -3.38 119.26 116.07 1u2j h ALA 506 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1u2j h ALA 506 Cb 0.04 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1u2j h ALA 506 CO 0.00 0.62 0.00 0.28 0.00 0.00 0.00 179.25 180.15 1u2j n VAL 507 N -3.83 0.13 -0.03 0.00 0.31 -0.85 -1.26 118.33 112.80 1u2j n VAL 507 Ca -0.16 0.03 0.08 0.00 -0.01 0.00 0.00 64.34 64.28 1u2j n VAL 507 Cb 1.02 -0.60 0.46 0.00 -0.91 0.00 0.00 33.84 33.81 1u2j n VAL 507 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1u2j h ARG 508 N 0.00 0.47 0.00 5.55 2.43 -1.79 -2.90 114.38 118.13 1u2j h ARG 508 Ca 0.00 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 58.95 1u2j h ARG 508 Cb 0.21 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1u2j h ARG 508 CO 0.00 0.31 -0.93 0.00 -1.51 0.00 0.00 179.97 177.84 1u2j h ALA 509 N 1.73 0.46 -0.49 2.80 0.00 -1.44 -3.38 119.26 118.94 1u2j h ALA 509 Ca 0.20 -0.85 0.09 0.00 0.00 0.00 0.00 54.91 54.36 1u2j h ALA 509 Cb 0.21 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 17.75 1u2j h ALA 509 CO -0.05 1.16 -0.31 -0.07 0.00 0.00 0.00 179.25 179.98 1u2j h LEU 510 N 0.00 -1.06 -1.67 0.00 3.38 -1.61 -0.41 115.31 113.94 1u2j h LEU 510 Ca -0.01 0.20 0.12 0.00 0.09 0.00 0.00 57.88 58.28 1u2j h LEU 510 Cb 1.65 0.52 -0.04 0.00 0.09 0.00 0.00 40.66 42.88 1u2j h LEU 510 CO 0.12 -0.30 0.42 -0.65 0.09 0.00 0.00 178.44 178.12 1u2j h PRO 511 N -0.19 0.34 -0.20 1.13 0.11 -1.75 0.13 132.00 131.56 1u2j h PRO 511 Ca 0.21 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.18 1u2j h PRO 511 Cb 0.53 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 1u2j h PRO 511 CO -0.60 0.23 -0.36 0.28 -0.21 0.00 0.00 178.00 177.34 1u2j h VAL 512 N 0.35 1.29 0.00 3.15 2.07 -1.31 -2.54 116.25 119.27 1u2j h VAL 512 Ca 0.29 -1.46 -0.10 0.00 0.82 0.00 0.00 66.70 66.25 1u2j h VAL 512 Cb 0.67 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1u2j h VAL 512 CO -0.08 0.45 -1.35 0.18 0.02 0.00 0.00 177.57 176.80 1u2j n LEU 513 N -4.06 0.76 -0.06 2.57 4.77 -0.30 -2.55 117.00 118.13 1u2j n LEU 513 Ca -0.01 0.32 -0.16 0.00 -0.03 0.00 0.00 56.01 56.13 1u2j n LEU 513 Cb 0.47 0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 1u2j n LEU 513 CO 0.43 0.02 0.38 -0.33 -1.33 0.00 0.00 177.39 176.56 1u2j h GLU 514 N 0.00 0.82 -0.59 3.23 5.08 -0.86 -0.74 114.58 121.52 1u2j h GLU 514 Ca -0.11 -0.58 0.03 0.00 -1.00 0.00 0.00 59.36 57.71 1u2j h GLU 514 Cb 1.35 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.65 1u2j h GLU 514 CO 0.02 1.20 0.35 0.87 -1.00 0.00 0.00 179.01 180.45 1u2j h LYS 515 N 0.58 0.66 -0.08 2.33 1.79 -1.53 -0.71 116.57 119.62 1u2j h LYS 515 Ca -0.01 -0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.31 1u2j h LYS 515 Cb 1.23 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.72 1u2j h LYS 515 CO 0.13 0.44 -0.44 0.82 -1.08 0.00 0.00 179.45 179.32 1u2j h ILE 516 N 0.68 1.32 0.05 1.86 2.04 -1.28 -1.80 117.51 120.38 1u2j h ILE 516 Ca 0.25 -1.56 -0.25 0.00 1.00 0.00 0.00 64.86 64.30 1u2j h ILE 516 Cb 0.06 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1u2j h ILE 516 CO -0.12 0.46 -1.06 -0.61 0.00 0.00 0.00 178.15 176.82 1u2j h GLN 517 N 0.15 0.37 -0.12 2.37 -0.00 -0.65 -0.35 115.11 116.88 1u2j h GLN 517 Ca 0.01 -0.47 -0.15 0.00 -0.00 0.00 0.00 58.65 58.03 1u2j h GLN 517 Cb 0.83 0.15 -0.01 0.00 0.00 0.00 0.00 27.48 28.46 1u2j h GLN 517 CO 0.06 1.16 -0.59 -0.22 0.00 0.00 0.00 178.83 179.24 1u2j h LYS 518 N 0.18 0.38 0.00 1.69 3.64 -1.07 -2.26 116.57 119.13 1u2j h LYS 518 Ca -0.10 -0.25 -0.15 0.00 -1.27 0.00 0.00 60.65 58.87 1u2j h LYS 518 Cb 1.73 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.56 1u2j h LYS 518 CO 0.18 0.86 -0.71 0.93 -2.27 0.00 0.00 179.45 178.45 1u2j h GLU 519 N 0.29 0.00 0.11 1.90 5.08 -1.04 -3.34 114.58 117.57 1u2j h GLU 519 Ca -0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 1u2j h GLU 519 Cb 1.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1u2j h GLU 519 CO 0.10 0.71 -1.32 1.03 -1.00 0.00 0.00 179.01 178.52 1u2j h SER 520 N 0.00 0.35 -3.62 1.42 0.87 -1.09 -3.48 113.55 108.00 1u2j h SER 520 Ca -0.01 -0.85 -0.13 0.00 -1.23 0.00 0.00 61.79 59.57 1u2j h SER 520 Cb 1.46 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.28 1u2j h SER 520 CO 0.09 1.58 -0.16 0.61 -0.53 0.00 0.00 176.83 178.42 1u2j n GLY 521 N 1.72 -0.19 0.00 5.77 0.00 -0.85 -4.84 105.19 106.80 1u2j n GLY 521 Ca -0.24 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.33 0.74 -3.77 1.61 4.76 -1.26 -5.00 118.16 112.91 1u2j n LYS 522 Ca -0.08 -0.08 -0.09 0.00 -2.87 0.00 0.00 58.31 55.19 1u2j n LYS 522 Cb 0.47 -1.41 -0.06 0.00 -1.84 0.00 0.00 35.03 32.18 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 -3.03 -0.49 0.77 7.82 0.00 -1.26 -2.83 121.76 122.75 1u2j s ALA 523 Ca 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 51.96 51.45 1u2j s ALA 523 Cb 0.13 0.55 0.06 0.00 0.00 0.00 0.00 23.12 23.86 1u2j s ALA 523 CO 0.78 -0.55 1.12 -1.54 0.00 0.00 0.00 175.76 175.56 1u2j s SER 524 N -2.80 4.31 0.43 0.00 1.04 -1.26 -4.91 113.70 110.50 1u2j s SER 524 Ca 0.04 1.98 0.09 0.00 0.48 0.00 0.00 55.95 58.53 1u2j s SER 524 Cb 0.04 -2.54 0.92 0.00 0.10 0.00 0.00 66.02 64.53 1u2j s SER 524 CO -0.11 -2.17 2.06 0.25 0.98 0.00 0.00 173.24 174.25 1u2j h LEU 525 N -0.94 0.37 -0.19 2.42 5.85 -1.91 -2.44 115.31 118.47 1u2j h LEU 525 Ca -0.44 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 1u2j h LEU 525 Cb 1.25 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1u2j h LEU 525 CO 0.50 0.29 0.03 0.00 -0.34 0.00 0.00 178.44 178.92 1u2j h ALA 526 N 1.77 0.25 -0.53 1.25 0.00 -1.85 -0.79 119.26 119.36 1u2j h ALA 526 Ca 0.12 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1u2j h ALA 526 Cb -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1u2j h ALA 526 CO -0.02 -0.08 0.09 -0.44 0.00 0.00 0.00 179.25 178.80 1u2j h ASP 527 N 0.10 0.78 0.66 0.00 3.32 -1.73 -2.98 116.42 116.58 1u2j h ASP 527 Ca 0.06 -0.16 -0.12 0.00 0.02 0.00 0.00 57.03 56.83 1u2j h ASP 527 Cb 0.32 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1u2j h ASP 527 CO 0.00 0.79 -0.58 0.40 -1.72 0.00 0.00 179.24 178.13 1u2j h ILE 528 N 0.80 1.36 -0.48 0.35 2.04 -1.05 0.17 117.51 120.70 1u2j h ILE 528 Ca 0.17 -2.04 -0.05 0.00 1.00 0.00 0.00 64.86 63.94 1u2j h ILE 528 Cb 0.34 2.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 1u2j h ILE 528 CO 0.00 0.57 0.09 0.40 0.00 0.00 0.00 178.15 179.22 1u2j h ILE 529 N 0.00 1.24 -0.14 -0.67 2.04 -1.06 0.70 117.51 119.62 1u2j h ILE 529 Ca -0.01 -0.88 -0.21 0.00 1.00 0.00 0.00 64.86 64.76 1u2j h ILE 529 Cb 1.07 0.90 0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1u2j h ILE 529 CO 0.08 0.31 -0.75 0.58 0.00 0.00 0.00 178.15 178.37 1u2j h VAL 530 N 0.65 1.30 -0.66 1.67 2.07 -1.37 -2.64 116.25 117.28 1u2j h VAL 530 Ca 0.15 -2.00 0.05 0.00 0.82 0.00 0.00 66.70 65.72 1u2j h VAL 530 Cb 0.36 1.99 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 1u2j h VAL 530 CO 0.01 0.63 0.37 0.25 0.02 0.00 0.00 177.57 178.84 1u2j h LEU 531 N 0.48 0.57 -0.42 2.57 5.85 -0.65 0.09 115.31 123.80 1u2j h LEU 531 Ca -0.04 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.79 1u2j h LEU 531 Cb 1.36 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 42.20 1u2j h LEU 531 CO 0.15 0.38 -0.31 0.00 -0.34 0.00 0.00 178.44 178.32 1u2j h ALA 532 N 1.33 -0.12 -0.06 1.25 0.00 -0.67 1.36 119.26 122.33 1u2j h ALA 532 Ca 0.29 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.33 1u2j h ALA 532 Cb 0.14 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1u2j h ALA 532 CO -0.16 -0.70 0.06 0.78 0.00 0.00 0.00 179.25 179.24 1u2j h GLY 533 N -0.23 0.00 1.61 0.00 0.00 -0.93 -1.12 103.07 102.40 1u2j h GLY 533 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.27 1u2j h GLY 533 CO -0.55 0.00 -1.06 -2.08 0.00 0.00 0.00 176.54 172.85 1u2j h VAL 534 N 0.00 1.45 -0.08 4.60 2.07 0.36 -2.48 116.25 122.18 1u2j h VAL 534 Ca 0.03 -2.73 -0.20 0.00 0.82 0.00 0.00 66.70 64.62 1u2j h VAL 534 Cb 0.15 2.65 0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1u2j h VAL 534 CO -0.00 0.80 -0.75 -0.37 0.02 0.00 0.00 177.57 177.28 1u2j h VAL 535 N 0.15 1.32 -0.54 2.57 -1.51 -0.02 -1.88 116.25 116.34 1u2j h VAL 535 Ca -0.10 -2.02 0.05 0.00 -1.23 0.00 0.00 66.70 63.41 1u2j h VAL 535 Cb 1.74 2.23 -0.08 0.00 -2.13 0.00 0.00 31.29 33.05 1u2j h VAL 535 CO 0.18 0.62 -0.44 1.23 -1.23 0.00 0.00 177.57 177.93 1u2j h GLY 536 N 0.30 -1.26 1.73 5.19 0.00 -1.30 0.24 103.07 107.97 1u2j h GLY 536 Ca -0.07 0.82 -0.08 0.00 0.00 0.00 0.00 47.33 48.00 1u2j h GLY 536 CO 0.15 -0.24 -0.23 -2.08 0.00 0.00 0.00 176.54 174.15 1u2j h VAL 537 N -0.15 1.24 -0.47 4.60 2.07 -1.43 -1.29 116.25 120.82 1u2j h VAL 537 Ca 0.09 -1.12 -0.13 0.00 0.82 0.00 0.00 66.70 66.37 1u2j h VAL 537 Cb 0.38 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1u2j h VAL 537 CO -0.59 0.35 -0.19 -0.33 0.02 0.00 0.00 177.57 176.82 1u2j h GLU 538 N 0.29 0.97 0.15 1.57 5.08 -0.71 -0.20 114.58 121.72 1u2j h GLU 538 Ca 0.05 -0.41 0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1u2j h GLU 538 Cb 0.57 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1u2j h GLU 538 CO 0.04 1.08 -0.38 0.87 -1.00 0.00 0.00 179.01 179.62 1u2j h LYS 539 N 0.82 -0.60 -0.95 2.33 1.57 0.34 -0.72 116.57 119.35 1u2j h LYS 539 Ca 0.11 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1u2j h LYS 539 Cb 0.77 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 33.17 1u2j h LYS 539 CO 0.06 -0.40 0.63 0.00 -0.57 0.00 0.00 179.45 179.17 1u2j h ALA 540 N -0.08 1.22 -0.02 3.86 0.00 -1.20 0.43 119.26 123.46 1u2j h ALA 540 Ca 0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u2j h ALA 540 Cb 0.64 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1u2j h ALA 540 CO -0.21 0.58 0.01 0.00 0.00 0.00 0.00 179.25 179.63 1u2j h ALA 541 N 1.36 0.03 0.21 0.00 0.00 -0.90 -0.20 119.26 119.76 1u2j h ALA 541 Ca 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1u2j h ALA 541 Cb -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1u2j h ALA 541 CO -0.09 -0.38 -0.10 1.03 0.00 0.00 0.00 179.25 179.72 1u2j h SER 542 N -0.14 -0.23 -0.22 0.00 0.87 -0.92 0.21 113.55 113.11 1u2j h SER 542 Ca 0.01 -0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.61 1u2j h SER 542 Cb 0.18 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1u2j h SER 542 CO -0.00 -0.13 0.40 0.00 -0.53 0.00 0.00 176.83 176.57 1u2j h ALA 543 N 0.47 1.77 -0.47 6.23 0.00 -0.15 1.79 119.26 128.90 1u2j h ALA 543 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u2j h ALA 543 Cb 0.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1u2j h ALA 543 CO 0.05 -0.51 0.00 0.00 0.00 0.00 0.00 179.25 178.78 1u2j n ALA 544 N -2.13 2.57 -0.99 0.00 0.00 -0.77 -4.89 120.51 114.29 1u2j n ALA 544 Ca 0.03 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1u2j n ALA 544 Cb 0.51 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 1.14 0.51 3.03 0.00 0.00 0.61 -4.98 105.19 105.50 1u2j n GLY 545 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 4.92 -0.46 0.99 2.01 0.66 -4.97 118.68 121.83 1u2j s LEU 546 Ca 0.00 -3.10 -0.29 0.00 0.01 0.00 0.00 54.13 50.76 1u2j s LEU 546 Cb 0.00 -1.77 -0.09 0.00 0.01 0.00 0.00 46.19 44.34 1u2j s LEU 546 CO 0.00 -0.28 2.37 -1.54 1.01 0.00 0.00 176.35 177.91 1u2j n SER 547 N 3.09 2.29 -4.17 2.29 3.41 -1.26 -2.72 113.62 116.54 1u2j n SER 547 Ca 0.09 -0.12 -0.22 0.00 -0.26 0.00 0.00 58.87 58.36 1u2j n SER 547 Cb 0.35 -1.46 -0.14 0.00 -0.26 0.00 0.00 64.21 62.71 1u2j n SER 547 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1u2j s ILE 548 N 10.19 1.29 0.25 -1.33 -5.25 -1.26 -5.02 121.20 120.07 1u2j s ILE 548 Ca 1.05 -1.01 -0.30 0.00 -0.99 0.00 0.00 60.65 59.39 1u2j s ILE 548 Cb -0.44 -1.14 -0.10 0.00 2.95 0.00 0.00 42.46 43.73 1u2j s ILE 548 CO 0.34 0.11 1.47 -2.28 -1.79 0.00 0.00 174.94 172.79 1u2j s HIS 549 N -0.77 2.97 -0.37 1.37 5.65 -1.26 -4.89 115.29 117.99 1u2j s HIS 549 Ca 0.04 0.97 -0.03 0.00 0.25 0.00 0.00 55.06 56.29 1u2j s HIS 549 Cb -0.08 -3.87 0.09 0.00 -1.18 0.00 0.00 32.58 27.54 1u2j s HIS 549 CO 0.01 -2.85 0.14 0.08 -0.65 0.00 0.00 174.74 171.47 1u2j s VAL 550 N 0.03 3.27 0.20 0.89 1.01 -1.26 -5.07 120.40 119.47 1u2j s VAL 550 Ca 0.60 -1.79 -0.32 0.00 0.00 0.00 0.00 61.98 60.47 1u2j s VAL 550 Cb -0.43 -3.12 -0.14 0.00 0.00 0.00 0.00 36.38 32.70 1u2j s VAL 550 CO 0.44 -0.49 1.47 -2.65 0.00 0.00 0.00 175.10 173.87 1u2j n PRO 551 N 4.63 2.06 -4.92 2.72 -0.02 -1.26 -4.99 135.00 133.21 1u2j n PRO 551 Ca -0.06 0.74 -0.27 0.00 -2.02 0.00 0.00 63.50 61.89 1u2j n PRO 551 Cb 0.42 -2.44 -0.15 0.00 -0.02 0.00 0.00 33.50 31.31 1u2j n PRO 551 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1u2j s PHE 552 N 0.34 1.84 -0.31 6.00 5.36 -1.26 -4.91 117.98 125.04 1u2j s PHE 552 Ca 0.73 -0.35 0.04 0.00 -0.96 0.00 0.00 56.93 56.38 1u2j s PHE 552 Cb -0.67 -1.16 0.09 0.00 -0.34 0.00 0.00 43.02 40.93 1u2j s PHE 552 CO 0.45 -0.00 -0.00 0.00 -1.46 0.00 0.00 175.22 174.20 1u2j s ALA 553 N -0.55 2.76 0.84 11.12 0.00 -1.26 -5.11 121.76 129.55 1u2j s ALA 553 Ca 0.08 -2.26 -0.12 0.00 0.00 0.00 0.00 51.96 49.66 1u2j s ALA 553 Cb -0.08 -1.83 0.10 0.00 0.00 0.00 0.00 23.12 21.31 1u2j s ALA 553 CO -0.00 -1.52 1.18 -1.25 0.00 0.00 0.00 175.76 174.16 1u2j s PRO 554 N 0.98 1.48 0.00 0.00 0.04 -1.26 -4.67 135.00 131.58 1u2j s PRO 554 Ca 0.04 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1u2j s PRO 554 Cb -0.19 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1u2j s PRO 554 CO -0.07 -2.31 0.00 0.41 0.04 0.00 0.00 177.00 175.07 1u2j n GLY 555 N 0.28 0.59 3.75 0.56 0.00 -1.26 -5.10 105.19 104.01 1u2j n GLY 555 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 2.90 0.33 1.61 0.52 -1.26 -4.95 118.95 118.09 1u2j s ARG 556 Ca 0.00 1.76 0.10 0.00 -0.52 0.00 0.00 55.73 57.07 1u2j s ARG 556 Cb 0.00 -1.93 -0.06 0.00 0.52 0.00 0.00 34.95 33.49 1u2j s ARG 556 CO 0.00 -1.25 -0.06 0.14 0.02 0.00 0.00 175.30 174.15 1u2j s VAL 557 N -1.72 2.51 -0.25 3.52 -7.23 -1.26 -4.44 120.40 111.53 1u2j s VAL 557 Ca 0.76 -2.13 -0.15 0.00 -1.81 0.00 0.00 61.98 58.66 1u2j s VAL 557 Cb -0.29 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 1u2j s VAL 557 CO 0.35 -0.24 0.35 -1.81 -0.31 0.00 0.00 175.10 173.43 1u2j s ASP 558 N -3.64 6.27 0.63 4.85 1.01 -1.26 -0.68 116.67 123.84 1u2j s ASP 558 Ca 0.33 0.31 -0.13 0.00 0.71 0.00 0.00 52.55 53.77 1u2j s ASP 558 Cb -0.00 -2.20 -0.03 0.00 1.01 0.00 0.00 42.92 41.70 1u2j s ASP 558 CO 0.18 -0.13 1.04 0.00 0.21 0.00 0.00 175.17 176.46 1u2j s ALA 559 N 1.81 2.87 0.35 5.23 0.00 -0.43 -4.73 121.76 126.86 1u2j s ALA 559 Ca 0.15 0.11 -0.09 0.00 0.00 0.00 0.00 51.96 52.12 1u2j s ALA 559 Cb -0.15 -3.15 -0.06 0.00 0.00 0.00 0.00 23.12 19.75 1u2j s ALA 559 CO 0.09 -0.84 0.69 1.03 0.00 0.00 0.00 175.76 176.73 1u2j s ARG 560 N -4.75 3.75 0.52 0.00 0.52 -1.26 -4.93 118.95 112.80 1u2j s ARG 560 Ca 0.58 0.33 0.20 0.00 -0.52 0.00 0.00 55.73 56.32 1u2j s ARG 560 Cb -0.13 -2.49 1.31 0.00 0.52 0.00 0.00 34.95 34.17 1u2j s ARG 560 CO 0.48 0.08 2.07 0.37 0.02 0.00 0.00 175.30 178.32 1u2j h GLN 561 N 1.56 0.02 -0.53 3.54 5.75 -1.96 -1.33 115.11 122.15 1u2j h GLN 561 Ca -0.47 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 1u2j h GLN 561 Cb 1.19 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.73 1u2j h GLN 561 CO 0.65 0.01 0.00 -0.40 -2.65 0.00 0.00 178.83 176.44 1u2j n ASP 562 N -4.46 2.83 0.00 -0.69 3.85 -1.26 -1.65 116.55 115.16 1u2j n ASP 562 Ca 0.03 -2.15 0.00 0.00 -0.71 0.00 0.00 54.79 51.97 1u2j n ASP 562 Cb 0.33 -0.39 0.00 0.00 -1.35 0.00 0.00 41.12 39.72 1u2j n ASP 562 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1u2j n GLN 563 N 0.73 2.60 -3.71 0.11 10.64 -0.52 -4.87 117.38 122.37 1u2j n GLN 563 Ca 0.16 -1.38 -0.35 0.00 -1.83 0.00 0.00 57.00 53.59 1u2j n GLN 563 Cb 0.50 -0.97 -0.09 0.00 -0.86 0.00 0.00 30.24 28.82 1u2j n GLN 563 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1u2j s THR 564 N -0.89 3.89 0.15 -0.39 2.01 -0.66 -4.08 115.64 115.68 1u2j s THR 564 Ca 0.00 -3.53 -0.31 0.00 0.31 0.00 0.00 61.69 58.15 1u2j s THR 564 Cb 0.00 -3.48 -0.10 0.00 0.01 0.00 0.00 72.50 68.92 1u2j s THR 564 CO 0.00 -0.99 1.71 -0.62 -0.69 0.00 0.00 174.62 174.03 1u2j s ASP 565 N 0.04 6.47 0.14 3.53 2.15 -1.26 -4.85 116.67 122.89 1u2j s ASP 565 Ca 0.23 2.72 -0.12 0.00 0.43 0.00 0.00 52.55 55.81 1u2j s ASP 565 Cb -0.13 -2.58 -0.01 0.00 -0.30 0.00 0.00 42.92 39.89 1u2j s ASP 565 CO -0.09 -0.94 1.53 0.40 -0.17 0.00 0.00 175.17 175.91 1u2j h ILE 566 N 4.27 1.27 -0.17 4.11 5.03 -1.89 -2.63 117.51 127.50 1u2j h ILE 566 Ca -0.44 -1.30 -0.21 0.00 -0.12 0.00 0.00 64.86 62.79 1u2j h ILE 566 Cb 1.21 1.20 0.01 0.00 -3.03 0.00 0.00 36.82 36.20 1u2j h ILE 566 CO 0.94 0.44 -0.71 -0.08 -0.68 0.00 0.00 178.15 178.06 1u2j h GLU 567 N 0.71 0.79 0.00 2.37 4.81 -1.96 -2.35 114.58 118.95 1u2j h GLU 567 Ca 0.10 -0.62 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1u2j h GLU 567 Cb 0.72 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 1u2j h GLU 567 CO 0.06 1.23 -0.04 0.52 -0.73 0.00 0.00 179.01 180.04 1u2j h MET 568 N 0.53 0.00 0.00 1.92 2.86 -1.95 -2.82 114.93 115.46 1u2j h MET 568 Ca -0.04 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1u2j h MET 568 Cb 1.34 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.00 1u2j h MET 568 CO 0.15 0.04 -0.84 0.74 1.06 0.00 0.00 176.91 178.07 1u2j h PHE 569 N 0.00 0.00 -0.01 -0.22 0.04 -1.18 -3.26 116.94 112.31 1u2j h PHE 569 Ca -0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1u2j h PHE 569 Cb 0.59 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 1u2j h PHE 569 CO 0.00 0.02 -0.25 0.93 -0.60 0.00 0.00 178.31 178.42 1u2j h GLU 570 N 0.00 0.02 -1.00 1.51 4.39 -1.16 -1.35 114.58 116.99 1u2j h GLU 570 Ca -0.01 -0.01 0.26 0.00 0.34 0.00 0.00 59.36 59.94 1u2j h GLU 570 Cb 1.02 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.60 1u2j h GLU 570 CO 0.00 0.27 0.67 -0.07 -1.16 0.00 0.00 179.01 178.72 1u2j h LEU 571 N 0.02 0.32 0.00 1.33 3.38 -1.60 -1.94 115.31 116.82 1u2j h LEU 571 Ca 0.00 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1u2j h LEU 571 Cb 0.45 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1u2j h LEU 571 CO 0.03 0.09 -0.58 -0.07 0.09 0.00 0.00 178.44 178.00 1u2j h LEU 572 N 0.30 0.00 -9.19 1.67 -0.00 -1.44 -3.46 115.31 103.19 1u2j h LEU 572 Ca 0.53 0.00 -0.71 0.00 -0.00 0.00 0.00 57.88 57.70 1u2j h LEU 572 Cb 1.52 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 42.21 1u2j h LEU 572 CO -0.19 0.34 0.84 1.21 -0.00 0.00 0.00 178.44 180.64 1u2j n GLU 573 N -3.08 1.28 -2.52 1.13 2.13 -0.73 -4.79 120.64 114.05 1u2j n GLU 573 Ca 0.00 0.47 -0.41 0.00 0.66 0.00 0.00 57.16 57.88 1u2j n GLU 573 Cb 0.68 -2.16 -0.04 0.00 0.27 0.00 0.00 31.44 30.19 1u2j n GLU 573 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1u2j s PRO 574 N 2.98 4.62 0.39 5.31 0.04 -1.26 -4.92 135.00 142.16 1u2j s PRO 574 Ca 0.95 1.73 0.13 0.00 0.04 0.00 0.00 61.00 63.85 1u2j s PRO 574 Cb -1.00 -3.25 0.78 0.00 0.04 0.00 0.00 34.50 31.06 1u2j s PRO 574 CO 0.60 0.14 1.86 0.82 0.04 0.00 0.00 177.00 180.45 1u2j h ILE 575 N 3.53 1.23 -2.29 0.56 5.03 -1.96 -3.46 117.51 120.14 1u2j h ILE 575 Ca -0.45 -1.16 -0.05 0.00 -0.12 0.00 0.00 64.86 63.09 1u2j h ILE 575 Cb 1.21 1.63 -0.17 0.00 -3.03 0.00 0.00 36.82 36.46 1u2j h ILE 575 CO 0.71 0.33 0.20 0.00 -0.68 0.00 0.00 178.15 178.71 1u2j s ALA 576 N -4.26 -1.72 -0.38 1.87 0.00 -1.26 -1.42 121.76 114.58 1u2j s ALA 576 Ca -0.03 1.08 0.03 0.00 0.00 0.00 0.00 51.96 53.04 1u2j s ALA 576 Cb 0.15 0.26 0.16 0.00 0.00 0.00 0.00 23.12 23.68 1u2j s ALA 576 CO 0.72 -0.49 0.36 0.34 0.00 0.00 0.00 175.76 176.69 1u2j s ASP 577 N -1.66 1.35 0.19 0.00 -1.08 0.20 -4.94 116.67 110.73 1u2j s ASP 577 Ca -0.07 -1.92 0.14 0.00 -0.52 0.00 0.00 52.55 50.18 1u2j s ASP 577 Cb -0.00 0.34 0.74 0.00 -1.46 0.00 0.00 42.92 42.53 1u2j s ASP 577 CO 0.03 -0.24 1.44 0.61 0.52 0.00 0.00 175.17 177.53 1u2j n GLY 578 N 3.92 -0.81 0.22 2.66 0.00 -1.26 -0.22 105.19 109.70 1u2j n GLY 578 Ca 0.15 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.38 1u2j n GLY 578 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1u2j h PHE 579 N 0.00 0.00 -0.11 1.61 0.04 -1.95 -2.88 116.94 113.66 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 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1u2j h PHE 579 CO 0.00 0.16 0.00 0.54 -0.60 0.00 0.00 178.31 178.41 1u2j n ARG 580 N -3.21 1.21 -3.65 1.51 1.74 0.69 -4.76 116.66 110.19 1u2j n ARG 580 Ca 0.02 -1.43 -0.24 0.00 -0.77 0.00 0.00 57.85 55.43 1u2j n ARG 580 Cb 0.48 -1.24 0.07 0.00 -1.02 0.00 0.00 32.46 30.75 1u2j n ARG 580 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1u2j n ASN 581 N 0.64 -4.99 -4.52 0.55 2.85 -0.50 -0.79 115.26 108.49 1u2j n ASN 581 Ca 0.08 -0.62 -0.34 0.00 -0.11 0.00 0.00 54.58 53.59 1u2j n ASN 581 Cb 0.33 -4.74 -0.12 0.00 1.24 0.00 0.00 39.78 36.49 1u2j n ASN 581 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1u2j s TYR 582 N -3.35 2.94 -0.20 1.20 5.04 -0.56 -4.78 117.35 117.64 1u2j s TYR 582 Ca 0.47 -0.19 -0.04 0.00 -2.44 0.00 0.00 57.07 54.87 1u2j s TYR 582 Cb -0.22 -1.81 0.10 0.00 0.35 0.00 0.00 41.96 40.38 1u2j s TYR 582 CO 0.76 0.12 0.28 0.50 -1.34 0.00 0.00 175.55 175.87 1u2j s ARG 583 N -0.25 0.23 -0.04 4.97 3.00 -1.26 0.62 118.95 126.22 1u2j s ARG 583 Ca 0.03 0.43 -0.09 0.00 -1.00 0.00 0.00 55.73 55.11 1u2j s ARG 583 Cb -0.13 -0.71 -0.05 0.00 0.00 0.00 0.00 34.95 34.06 1u2j s ARG 583 CO 0.03 -0.56 0.44 0.00 0.00 0.00 0.00 175.30 175.21 1u2j h ALA 584 N 8.27 -0.40 -3.97 6.12 0.00 -1.57 -3.47 119.26 124.24 1u2j h ALA 584 Ca -0.17 -0.07 -0.51 0.00 0.00 0.00 0.00 54.91 54.16 1u2j h ALA 584 Cb 1.14 0.13 -0.26 0.00 0.00 0.00 0.00 17.79 18.80 1u2j h ALA 584 CO 0.24 -0.37 -0.82 1.03 0.00 0.00 0.00 179.25 179.33 1u2j s ARG 585 N -2.62 1.17 -0.10 0.00 0.52 -1.26 -5.08 118.95 111.59 1u2j s ARG 585 Ca -0.05 -0.78 0.03 0.00 -0.52 0.00 0.00 55.73 54.41 1u2j s ARG 585 Cb 0.00 -1.20 -0.24 0.00 0.52 0.00 0.00 34.95 34.03 1u2j s ARG 585 CO 0.14 0.31 0.46 1.28 0.02 0.00 0.00 175.30 177.51 1u2j n LEU 586 N 2.06 1.82 -0.06 2.53 4.77 -1.26 -4.36 117.00 122.50 1u2j n LEU 586 Ca -0.17 0.28 0.25 0.00 -0.03 0.00 0.00 56.01 56.34 1u2j n LEU 586 Cb 0.54 -0.51 0.68 0.00 -2.33 0.00 0.00 43.42 41.79 1u2j n LEU 586 CO 0.23 0.65 1.23 -0.78 -1.33 0.00 0.00 177.39 177.39 1u2j h ASP 587 N 0.04 0.00 0.00 -1.43 3.58 -2.03 -3.43 116.42 113.14 1u2j h ASP 587 Ca -0.38 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1u2j h ASP 587 Cb 2.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.08 1u2j h ASP 587 CO 0.08 0.00 0.00 0.52 -2.88 0.00 0.00 179.24 176.96 1u2j n VAL 588 N -3.69 0.00 -0.01 2.25 0.31 -1.26 -5.05 118.33 110.88 1u2j n VAL 588 Ca 0.15 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.47 1u2j n VAL 588 Cb 0.96 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.90 1u2j n VAL 588 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1u2j n SER 589 N 0.00 -1.82 -4.98 4.52 7.64 -1.26 -5.01 113.62 112.72 1u2j n SER 589 Ca 0.00 -0.03 -0.21 0.00 1.01 0.00 0.00 58.87 59.64 1u2j n SER 589 Cb 0.00 -0.04 0.01 0.00 -1.01 0.00 0.00 64.21 63.17 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 -0.91 3.57 0.03 0.44 -4.23 -1.26 -4.99 115.64 108.28 1u2j s THR 590 Ca 0.03 -0.75 -0.26 0.00 -1.18 0.00 0.00 61.69 59.53 1u2j s THR 590 Cb -0.00 -3.28 -0.17 0.00 1.34 0.00 0.00 72.50 70.39 1u2j s THR 590 CO 0.02 -0.16 1.37 0.74 -0.54 0.00 0.00 174.62 176.05 1u2j h THR 591 N 0.49 0.66 -0.24 3.99 2.02 -1.97 -0.77 112.91 117.09 1u2j h THR 591 Ca -0.44 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.29 1u2j h THR 591 Cb 1.27 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1u2j h THR 591 CO 0.53 0.08 0.04 1.05 0.37 0.00 0.00 175.52 177.59 1u2j h GLU 592 N -0.71 0.34 -0.18 6.66 9.09 -1.96 -1.30 114.58 126.53 1u2j h GLU 592 Ca -0.05 -0.05 -0.17 0.00 0.05 0.00 0.00 59.36 59.15 1u2j h GLU 592 Cb 0.49 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.52 1u2j h GLU 592 CO 0.08 0.34 -0.57 0.66 0.05 0.00 0.00 179.01 179.57 1u2j h SER 593 N 0.34 0.64 0.45 3.06 4.64 -1.91 -1.41 113.55 119.35 1u2j h SER 593 Ca 0.08 -0.35 -0.07 0.00 -0.47 0.00 0.00 61.79 60.99 1u2j h SER 593 Cb 0.17 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1u2j h SER 593 CO -0.00 1.07 -0.31 -0.07 -0.87 0.00 0.00 176.83 176.65 1u2j h LEU 594 N 0.43 0.00 0.04 5.97 3.38 -0.46 -1.62 115.31 123.06 1u2j h LEU 594 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1u2j h LEU 594 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1u2j h LEU 594 CO 0.11 0.31 -0.02 0.25 0.09 0.00 0.00 178.44 179.18 1u2j h LEU 595 N 0.00 -0.05 -0.82 1.67 5.85 -0.57 0.16 115.31 121.56 1u2j h LEU 595 Ca -0.00 -0.25 0.13 0.00 0.84 0.00 0.00 57.88 58.60 1u2j h LEU 595 Cb 0.62 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.58 1u2j h LEU 595 CO 0.04 0.22 0.42 0.40 -0.34 0.00 0.00 178.44 179.18 1u2j h ILE 596 N -0.32 0.78 -0.13 4.05 5.03 -1.20 -2.27 117.51 123.46 1u2j h ILE 596 Ca -0.01 -0.22 -0.12 0.00 -0.12 0.00 0.00 64.86 64.39 1u2j h ILE 596 Cb 0.29 0.08 -0.01 0.00 -3.03 0.00 0.00 36.82 34.15 1u2j h ILE 596 CO 0.01 0.12 -0.47 -0.78 -0.68 0.00 0.00 178.15 176.35 1u2j h ASP 597 N 0.64 0.34 -0.21 1.72 1.82 -1.00 -1.39 116.42 118.33 1u2j h ASP 597 Ca 0.43 -0.16 -0.04 0.00 -0.39 0.00 0.00 57.03 56.86 1u2j h ASP 597 Cb 0.55 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 1u2j h ASP 597 CO -0.33 0.76 -0.04 0.50 -1.61 0.00 0.00 179.24 178.52 1u2j h LYS 598 N 0.26 0.41 -0.09 0.28 1.63 -0.43 -1.54 116.57 117.08 1u2j h LYS 598 Ca 0.02 -0.15 -0.03 0.00 -0.85 0.00 0.00 60.65 59.64 1u2j h LYS 598 Cb 0.92 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 1u2j h LYS 598 CO 0.08 0.64 -0.07 0.00 -3.45 0.00 0.00 179.45 176.65 1u2j h ALA 599 N 0.75 1.72 -0.18 5.00 0.00 -1.21 -1.56 119.26 123.79 1u2j h ALA 599 Ca 0.06 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 1u2j h ALA 599 Cb 0.48 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1u2j h ALA 599 CO 0.02 0.21 -0.73 0.37 0.00 0.00 0.00 179.25 179.12 1u2j h GLN 600 N 0.13 0.81 -1.06 0.00 4.15 -1.11 0.99 115.11 119.02 1u2j h GLN 600 Ca 0.03 -0.63 0.28 0.00 0.77 0.00 0.00 58.65 59.10 1u2j h GLN 600 Cb 0.21 0.12 -0.10 0.00 0.21 0.00 0.00 27.48 27.92 1u2j h GLN 600 CO 0.01 1.24 0.68 1.96 -1.93 0.00 0.00 178.83 180.79 1u2j h GLN 601 N 0.55 0.37 -0.64 1.69 4.20 -0.25 -1.37 115.11 119.66 1u2j h GLN 601 Ca -0.04 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1u2j h GLN 601 Cb 1.35 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1u2j h GLN 601 CO 0.15 0.24 0.00 1.28 -0.67 0.00 0.00 178.83 179.84 1u2j n LEU 602 N -4.65 5.06 -3.20 1.46 4.77 -1.02 0.01 117.00 119.44 1u2j n LEU 602 Ca 0.26 -2.56 -0.19 0.00 -0.03 0.00 0.00 56.01 53.49 1u2j n LEU 602 Cb 0.91 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 1u2j n LEU 602 CO 0.24 0.74 -0.06 0.35 -1.33 0.00 0.00 177.39 177.33 1u2j n THR 603 N 0.95 -0.65 -2.98 -5.08 -2.24 -0.52 -4.95 114.28 98.82 1u2j n THR 603 Ca 0.26 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.68 1u2j n THR 603 Cb 0.99 -1.35 -0.06 0.00 -2.10 0.00 0.00 70.33 67.81 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 -6.17 4.33 0.73 3.22 1.43 0.31 -5.01 118.68 117.51 1u2j s LEU 604 Ca 0.31 1.57 -0.10 0.00 -1.03 0.00 0.00 54.13 54.88 1u2j s LEU 604 Cb -0.17 -3.77 0.04 0.00 0.03 0.00 0.00 46.19 42.32 1u2j s LEU 604 CO 0.39 -0.02 1.09 0.42 0.23 0.00 0.00 176.35 178.46 1u2j s THR 605 N -1.58 2.89 0.16 5.49 -4.23 -1.26 -4.62 115.64 112.49 1u2j s THR 605 Ca 0.46 0.19 -0.14 0.00 -1.18 0.00 0.00 61.69 61.02 1u2j s THR 605 Cb -0.17 -3.27 0.04 0.00 1.34 0.00 0.00 72.50 70.44 1u2j s THR 605 CO 0.22 -0.34 1.75 0.00 -0.54 0.00 0.00 174.62 175.71 1u2j h ALA 606 N -0.72 0.65 -0.00 3.99 0.00 -1.98 0.43 119.26 121.62 1u2j h ALA 606 Ca -0.45 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.37 1u2j h ALA 606 Cb 1.29 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1u2j h ALA 606 CO 0.64 0.20 -0.12 -1.35 0.00 0.00 0.00 179.25 178.62 1u2j h PRO 607 N 0.67 -0.20 -0.48 0.00 0.11 -1.97 0.24 132.00 130.38 1u2j h PRO 607 Ca 0.18 0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.39 1u2j h PRO 607 Cb 0.09 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 31.16 1u2j h PRO 607 CO -0.02 -0.13 -0.05 0.93 -0.21 0.00 0.00 178.00 178.52 1u2j h GLU 608 N -0.20 0.06 -0.70 1.05 5.08 -1.87 0.77 114.58 118.76 1u2j h GLU 608 Ca 0.04 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1u2j h GLU 608 Cb 0.26 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 1u2j h GLU 608 CO -0.12 0.04 0.40 1.98 -1.00 0.00 0.00 179.01 180.31 1u2j h MET 609 N 0.06 0.71 -0.24 2.33 4.05 0.37 -0.39 114.93 121.81 1u2j h MET 609 Ca 0.24 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.52 1u2j h MET 609 Cb 0.36 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.00 1u2j h MET 609 CO -0.44 0.47 -0.22 1.15 0.23 0.00 0.00 176.91 178.09 1u2j h THR 610 N 0.73 1.31 -0.72 -0.77 2.02 -0.44 -0.15 112.91 114.88 1u2j h THR 610 Ca 0.32 -1.38 0.06 0.00 0.77 0.00 0.00 66.41 66.18 1u2j h THR 610 Cb 0.20 1.66 -0.06 0.00 -1.74 0.00 0.00 68.15 68.21 1u2j h THR 610 CO -0.19 0.43 0.42 0.00 0.37 0.00 0.00 175.52 176.55 1u2j h ALA 611 N 0.68 0.98 -0.25 6.16 0.00 -0.57 -1.97 119.26 124.29 1u2j h ALA 611 Ca 0.04 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1u2j h ALA 611 Cb 0.78 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1u2j h ALA 611 CO 0.06 0.11 -0.51 1.25 0.00 0.00 0.00 179.25 180.16 1u2j h LEU 612 N 0.76 0.88 -0.41 0.00 5.85 -0.66 -0.96 115.31 120.77 1u2j h LEU 612 Ca 0.32 -0.55 -0.13 0.00 0.84 0.00 0.00 57.88 58.37 1u2j h LEU 612 Cb 0.19 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1u2j h LEU 612 CO -0.18 1.26 -0.24 0.58 -0.34 0.00 0.00 178.44 179.52 1u2j h VAL 613 N 0.53 1.28 -0.69 1.05 2.07 -0.92 -0.59 116.25 118.97 1u2j h VAL 613 Ca 0.01 -1.39 -0.06 0.00 0.82 0.00 0.00 66.70 66.07 1u2j h VAL 613 Cb 1.12 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 1u2j h VAL 613 CO 0.11 0.47 0.19 1.23 0.02 0.00 0.00 177.57 179.60 1u2j h GLY 614 N 0.70 1.16 1.12 2.17 0.00 -1.16 -0.99 103.07 106.08 1u2j h GLY 614 Ca 0.09 -0.69 -0.19 0.00 0.00 0.00 0.00 47.33 46.53 1u2j h GLY 614 CO 0.07 0.65 -0.62 -1.33 0.00 0.00 0.00 176.54 175.31 1u2j h GLY 615 N 1.08 0.88 1.78 4.60 0.00 -0.90 -2.96 103.07 107.56 1u2j h GLY 615 Ca 0.22 -1.13 -0.06 0.00 0.00 0.00 0.00 47.33 46.37 1u2j h GLY 615 CO -0.00 1.01 -0.16 -0.33 0.00 0.00 0.00 176.54 177.05 1u2j h MET 616 N 0.55 0.26 0.46 4.80 2.86 -0.86 -1.90 114.93 121.10 1u2j h MET 616 Ca -0.02 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1u2j h MET 616 Cb 1.24 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.87 1u2j h MET 616 CO 0.13 0.43 -0.22 0.00 1.06 0.00 0.00 176.91 178.31 1u2j h ARG 617 N 0.25 -0.59 0.00 1.72 2.47 -1.08 -2.39 114.38 114.75 1u2j h ARG 617 Ca 0.05 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1u2j h ARG 617 Cb 0.44 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 1u2j h ARG 617 CO 0.03 -0.29 0.00 1.33 0.56 0.00 0.00 179.97 181.60 1u2j n VAL 618 N -5.25 0.78 -0.44 2.04 0.24 -1.13 -1.61 118.33 112.97 1u2j n VAL 618 Ca -0.11 0.20 0.09 0.00 -2.04 0.00 0.00 64.34 62.48 1u2j n VAL 618 Cb 0.30 -0.93 0.34 0.00 -1.47 0.00 0.00 33.84 32.08 1u2j n VAL 618 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1u2j n LEU 619 N -1.43 4.42 -3.91 1.34 4.77 -0.73 -1.12 117.00 120.35 1u2j n LEU 619 Ca 0.05 -2.23 -0.28 0.00 -0.03 0.00 0.00 56.01 53.52 1u2j n LEU 619 Cb 0.16 -0.55 0.01 0.00 -2.33 0.00 0.00 43.42 40.72 1u2j n LEU 619 CO 0.14 0.79 0.01 0.61 -1.33 0.00 0.00 177.39 177.60 1u2j n GLY 620 N 1.17 -0.41 1.52 -0.72 0.00 -0.63 -4.01 105.19 102.12 1u2j n GLY 620 Ca 0.24 0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.52 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 -4.52 3.00 -1.76 4.61 0.00 -0.91 -4.76 120.51 116.18 1u2j n ALA 621 Ca -0.08 -1.59 -0.39 0.00 0.00 0.00 0.00 53.44 51.38 1u2j n ALA 621 Cb 0.58 -0.97 0.03 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.96 5.53 0.44 0.00 0.01 -1.26 -4.67 114.94 114.03 1u2j s ASN 622 Ca 0.50 2.77 0.29 0.00 -0.71 0.00 0.00 52.86 55.71 1u2j s ASN 622 Cb 0.32 -2.64 1.56 0.00 0.41 0.00 0.00 41.25 40.90 1u2j s ASN 622 CO 0.25 -1.39 1.87 2.19 -1.51 0.00 0.00 177.10 178.51 1u2j h PHE 623 N 1.78 0.00 0.00 2.20 -5.15 -1.27 0.57 116.94 115.07 1u2j h PHE 623 Ca -0.51 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.26 1u2j h PHE 623 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.46 1u2j h PHE 623 CO 0.48 0.00 -0.04 -0.40 -2.00 0.00 0.00 178.31 176.35 1u2j n ASP 624 N -2.52 1.32 0.00 -0.68 5.75 -1.26 -4.24 116.55 114.91 1u2j n ASP 624 Ca -0.02 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1u2j n ASP 624 Cb 0.07 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1u2j n ASP 624 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u2j n GLY 625 N -0.45 0.37 3.45 6.12 0.00 0.19 -4.97 105.19 109.90 1u2j n GLY 625 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.25 -1.36 -0.67 1.61 2.88 -1.26 -4.89 113.62 109.67 1u2j n SER 626 Ca 0.00 0.60 0.13 0.00 -1.33 0.00 0.00 58.87 58.27 1u2j n SER 626 Cb 0.13 -1.19 0.37 0.00 -0.75 0.00 0.00 64.21 62.76 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 -0.50 1.91 -2.00 -1.46 4.76 -1.26 -4.64 118.16 114.97 1u2j n LYS 627 Ca 0.10 -1.34 -0.42 0.00 -2.87 0.00 0.00 58.31 53.77 1u2j n LYS 627 Cb 0.50 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 32.19 1u2j n LYS 627 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1u2j s ASN 628 N -1.86 6.65 0.00 4.39 0.01 -1.26 -1.78 114.94 121.09 1u2j s ASN 628 Ca 0.35 2.53 0.00 0.00 -0.71 0.00 0.00 52.86 55.03 1u2j s ASN 628 Cb 0.20 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.27 1u2j s ASN 628 CO 0.31 -0.78 0.00 0.61 -1.51 0.00 0.00 177.10 175.73 1u2j n GLY 629 N 3.69 3.00 3.01 0.66 0.00 -0.68 -4.85 105.19 110.02 1u2j n GLY 629 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 3.71 -1.76 1.61 0.31 -0.73 -4.72 118.33 114.75 1u2j n VAL 630 Ca 0.00 -3.52 -0.42 0.00 -0.01 0.00 0.00 64.34 60.39 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 6.51 3.32 -3.64 3.52 3.72 -1.26 -4.77 117.46 124.85 1u2j n PHE 631 Ca 0.49 -2.97 -0.04 0.00 -0.05 0.00 0.00 57.45 54.88 1u2j n PHE 631 Cb 0.41 -2.47 -0.07 0.00 -0.94 0.00 0.00 39.48 36.41 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 2.67 0.00 -1.66 4.37 -1.32 -1.26 -3.93 115.64 114.51 1u2j s THR 632 Ca 0.49 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.98 1u2j s THR 632 Cb 0.14 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.16 1u2j s THR 632 CO -0.08 0.00 0.87 -0.90 -2.21 0.00 0.00 174.62 172.30 1u2j n ASP 633 N 3.93 0.50 -3.26 8.08 5.68 -1.26 -4.34 116.55 125.88 1u2j n ASP 633 Ca -0.19 -2.01 -0.17 0.00 -0.50 0.00 0.00 54.79 51.91 1u2j n ASP 633 Cb 0.58 -0.18 -0.07 0.00 -1.14 0.00 0.00 41.12 40.31 1u2j n ASP 633 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1u2j s ARG 634 N -1.67 0.79 0.21 0.11 1.70 -1.26 -5.13 118.95 113.71 1u2j s ARG 634 Ca 0.02 -1.24 -0.32 0.00 -0.47 0.00 0.00 55.73 53.72 1u2j s ARG 634 Cb 0.01 -0.79 -0.13 0.00 -0.57 0.00 0.00 34.95 33.47 1u2j s ARG 634 CO 0.01 -1.27 1.50 0.28 -1.08 0.00 0.00 175.30 174.74 1u2j n VAL 635 N 3.62 0.57 -0.11 4.99 0.31 -1.26 -3.39 118.33 123.06 1u2j n VAL 635 Ca 0.18 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1u2j n VAL 635 Cb 0.48 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 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 2.68 0.94 3.10 2.92 0.00 -0.28 -4.97 105.19 109.58 1u2j n GLY 636 Ca 0.13 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 1.97 -1.02 1.61 0.11 -1.22 -4.08 120.40 115.78 1u2j s VAL 637 Ca 0.00 -0.88 -0.17 0.00 -2.93 0.00 0.00 61.98 57.99 1u2j s VAL 637 Cb 0.00 -1.79 -0.09 0.00 -1.53 0.00 0.00 36.38 32.97 1u2j s VAL 637 CO 0.00 0.53 2.09 -0.11 -3.33 0.00 0.00 175.10 174.27 1u2j n LEU 638 N 4.65 5.20 -5.01 2.54 7.94 -0.16 -4.73 117.00 127.43 1u2j n LEU 638 Ca -0.20 -3.31 -0.23 0.00 -1.11 0.00 0.00 56.01 51.16 1u2j n LEU 638 Cb 0.50 -1.28 0.10 0.00 0.53 0.00 0.00 43.42 43.27 1u2j n LEU 638 CO 0.25 0.29 0.51 -0.94 -1.11 0.00 0.00 177.39 176.39 1u2j s SER 639 N 4.16 4.45 -0.30 1.96 1.04 -1.26 -4.82 113.70 118.93 1u2j s SER 639 Ca 0.53 -0.60 0.09 0.00 0.48 0.00 0.00 55.95 56.44 1u2j s SER 639 Cb 0.14 0.26 0.69 0.00 0.10 0.00 0.00 66.02 67.21 1u2j s SER 639 CO 0.03 -1.81 1.73 -0.46 0.98 0.00 0.00 173.24 173.71 1u2j n ASN 640 N -2.71 4.64 -0.23 7.02 6.94 -1.26 -4.62 115.26 125.04 1u2j n ASN 640 Ca 0.17 -3.11 -0.02 0.00 -0.02 0.00 0.00 54.58 51.59 1u2j n ASN 640 Cb 0.61 -0.73 0.04 0.00 -2.36 0.00 0.00 39.78 37.34 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 2.49 -0.92 -1.04 0.53 3.32 -1.94 -1.74 116.42 117.13 1u2j h ASP 641 Ca 0.25 0.22 0.27 0.00 0.02 0.00 0.00 57.03 57.79 1u2j h ASP 641 Cb 2.22 0.52 -0.10 0.00 0.22 0.00 0.00 39.33 42.19 1u2j h ASP 641 CO 0.69 -0.27 0.66 0.15 -1.72 0.00 0.00 179.24 178.75 1u2j h PHE 642 N -0.08 0.73 0.15 4.55 3.57 -1.82 0.26 116.94 124.30 1u2j h PHE 642 Ca 0.29 0.03 -0.35 0.00 3.53 0.00 0.00 57.97 61.47 1u2j h PHE 642 Cb 0.54 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 1u2j h PHE 642 CO -0.61 0.06 -1.81 0.74 -2.23 0.00 0.00 178.31 174.45 1u2j h PHE 643 N 0.42 0.57 -0.07 0.41 0.04 -1.78 -0.86 116.94 115.67 1u2j h PHE 643 Ca 0.61 -0.41 0.00 0.00 2.80 0.00 0.00 57.97 60.97 1u2j h PHE 643 Cb 1.48 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 39.60 1u2j h PHE 643 CO -0.00 1.65 0.04 0.28 -0.60 0.00 0.00 178.31 179.68 1u2j h VAL 644 N 0.09 1.03 -0.25 -0.55 2.07 0.16 -0.24 116.25 118.56 1u2j h VAL 644 Ca -0.36 -0.07 -0.12 0.00 0.82 0.00 0.00 66.70 66.98 1u2j h VAL 644 Cb 2.06 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1u2j h VAL 644 CO 0.14 0.03 -0.31 0.78 0.02 0.00 0.00 177.57 178.23 1u2j h ASN 645 N 0.08 0.70 -0.77 0.57 -0.26 -0.74 -1.84 115.58 113.31 1u2j h ASN 645 Ca 0.02 -0.50 0.12 0.00 -0.56 0.00 0.00 56.30 55.39 1u2j h ASN 645 Cb 0.01 -0.20 -0.13 0.00 -1.06 0.00 0.00 38.32 36.94 1u2j h ASN 645 CO -0.01 1.06 -0.39 0.25 -1.06 0.00 0.00 177.43 177.28 1u2j h LEU 646 N 0.35 -1.39 -0.45 1.61 5.85 -1.07 -1.80 115.31 118.42 1u2j h LEU 646 Ca 0.03 0.27 0.00 0.00 0.84 0.00 0.00 57.88 59.02 1u2j h LEU 646 Cb 0.88 0.69 0.00 0.00 0.37 0.00 0.00 40.66 42.60 1u2j h LEU 646 CO 0.07 -0.30 -0.06 0.18 -0.34 0.00 0.00 178.44 178.00 1u2j n LEU 647 N -5.44 0.75 -4.67 2.25 4.77 -0.11 -4.87 117.00 109.69 1u2j n LEU 647 Ca 0.06 -0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.43 1u2j n LEU 647 Cb 0.37 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1u2j n LEU 647 CO -0.06 0.13 0.79 -0.62 -1.33 0.00 0.00 177.39 176.30 1u2j s ASP 648 N -2.19 7.08 0.00 -1.43 -1.08 -0.68 -4.89 116.67 113.48 1u2j s ASP 648 Ca 0.36 1.34 0.00 0.00 -0.52 0.00 0.00 52.55 53.74 1u2j s ASP 648 Cb 0.21 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.15 1u2j s ASP 648 CO 0.40 -0.53 0.97 0.23 0.52 0.00 0.00 175.17 176.76 1u2j n MET 649 N 5.69 0.00 0.29 4.34 2.81 -1.26 -2.54 117.12 126.45 1u2j n MET 649 Ca 0.09 0.47 0.17 0.00 -1.81 0.00 0.00 57.70 56.62 1u2j n MET 649 Cb 0.48 -1.52 0.89 0.00 -0.71 0.00 0.00 33.22 32.35 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 0.00 -5.89 0.03 2.43 -1.93 -3.43 114.38 105.59 1u2j h ARG 650 Ca 0.00 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.50 1u2j h ARG 650 Cb 0.04 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 29.38 1u2j h ARG 650 CO 0.00 0.05 -0.71 0.71 -1.51 0.00 0.00 179.97 178.51 1u2j s TYR 651 N -4.12 2.91 -0.17 2.20 1.51 -1.05 -1.36 117.35 117.27 1u2j s TYR 651 Ca -0.03 -0.15 -0.03 0.00 -1.01 0.00 0.00 57.07 55.85 1u2j s TYR 651 Cb 0.12 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 40.19 1u2j s TYR 651 CO 0.52 0.17 -0.06 -2.00 -1.11 0.00 0.00 175.55 173.07 1u2j s GLU 652 N -0.41 3.52 -0.15 -0.62 2.12 0.20 -4.87 118.70 118.49 1u2j s GLU 652 Ca 0.06 -0.59 -0.03 0.00 0.36 0.00 0.00 54.97 54.77 1u2j s GLU 652 Cb -0.12 -2.87 -0.02 0.00 0.26 0.00 0.00 34.13 31.37 1u2j s GLU 652 CO 0.02 0.11 -0.06 -1.58 -0.54 0.00 0.00 175.26 173.21 1u2j s TRP 653 N 0.68 2.96 -0.02 5.30 0.52 -1.26 -0.73 118.94 126.39 1u2j s TRP 653 Ca -0.03 -0.40 -0.03 0.00 0.02 0.00 0.00 56.10 55.66 1u2j s TRP 653 Cb -0.15 -1.93 0.00 0.00 -1.15 0.00 0.00 33.47 30.25 1u2j s TRP 653 CO 0.02 -0.09 0.08 0.15 0.02 0.00 0.00 176.95 177.13 1u2j s LYS 654 N 0.36 0.19 0.39 4.98 1.02 -0.96 -4.94 119.74 120.78 1u2j s LYS 654 Ca -0.06 -0.08 -0.26 0.00 0.02 0.00 0.00 55.97 55.60 1u2j s LYS 654 Cb -0.15 0.08 -0.09 0.00 -0.52 0.00 0.00 37.83 37.16 1u2j s LYS 654 CO 0.04 -0.03 1.17 0.00 -0.92 0.00 0.00 175.35 175.61 1u2j s ALA 655 N -0.41 3.19 0.00 5.17 0.00 -1.26 -0.92 121.76 127.53 1u2j s ALA 655 Ca -0.05 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1u2j s ALA 655 Cb -0.03 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1u2j s ALA 655 CO 0.00 -0.52 0.20 0.25 0.00 0.00 0.00 175.76 175.70 1u2j n THR 656 N 0.18 0.00 -0.02 0.00 -2.24 -0.45 -4.87 114.28 106.89 1u2j n THR 656 Ca 0.04 0.41 0.00 0.00 -2.27 0.00 0.00 64.05 62.23 1u2j n THR 656 Cb 0.46 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 1u2j n THR 656 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1u2j n ASP 657 N -0.49 0.00 -0.02 3.42 5.75 -1.26 -5.03 116.55 118.92 1u2j n ASP 657 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1u2j n ASP 657 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1u2j n ASP 657 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1u2j n GLU 658 N 0.00 0.51 -0.33 0.11 4.71 -1.26 -4.36 120.64 120.02 1u2j n GLU 658 Ca 0.00 -0.44 0.27 0.00 -0.01 0.00 0.00 57.16 56.98 1u2j n GLU 658 Cb 0.00 -0.92 0.52 0.00 -1.01 0.00 0.00 31.44 30.02 1u2j n GLU 658 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1u2j h SER 659 N 0.10 0.39 -5.36 1.62 0.02 -1.98 -3.45 113.55 104.88 1u2j h SER 659 Ca 0.00 0.22 -0.41 0.00 -0.84 0.00 0.00 61.79 60.76 1u2j h SER 659 Cb 0.02 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1u2j h SER 659 CO 0.00 -0.28 -0.63 0.29 -1.14 0.00 0.00 176.83 175.08 1u2j n LYS 660 N -5.16 -4.70 -0.13 3.45 5.02 -1.26 -4.91 118.16 110.47 1u2j n LYS 660 Ca 0.34 0.67 -0.18 0.00 -2.02 0.00 0.00 58.31 57.12 1u2j n LYS 660 Cb 1.10 -5.50 -0.12 0.00 -0.02 0.00 0.00 35.03 30.49 1u2j n LYS 660 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1u2j n GLU 661 N -4.14 0.65 -4.73 1.97 -0.58 -1.26 -4.83 120.64 107.71 1u2j n GLU 661 Ca -0.03 0.15 -0.33 0.00 -0.42 0.00 0.00 57.16 56.53 1u2j n GLU 661 Cb 0.56 -1.52 -0.14 0.00 -0.57 0.00 0.00 31.44 29.77 1u2j n GLU 661 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1u2j s LEU 662 N -6.51 2.82 0.10 -4.62 2.96 -1.26 -2.71 118.68 109.44 1u2j s LEU 662 Ca -0.34 -0.26 0.09 0.00 -0.22 0.00 0.00 54.13 53.39 1u2j s LEU 662 Cb 0.09 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 1u2j s LEU 662 CO 0.61 0.20 -0.21 -0.36 -1.32 0.00 0.00 176.35 175.27 1u2j s PHE 663 N 0.14 2.47 -0.27 5.38 0.40 0.41 -1.33 117.98 125.17 1u2j s PHE 663 Ca -0.06 -0.30 -0.08 0.00 -0.60 0.00 0.00 56.93 55.89 1u2j s PHE 663 Cb -0.15 -1.36 -0.02 0.00 0.51 0.00 0.00 43.02 42.01 1u2j s PHE 663 CO 0.04 0.32 0.09 -1.21 0.70 0.00 0.00 175.22 175.17 1u2j s GLU 664 N -1.89 3.50 -0.47 0.44 2.02 -0.10 -0.52 118.70 121.68 1u2j s GLU 664 Ca 0.16 -0.59 -0.24 0.00 0.02 0.00 0.00 54.97 54.32 1u2j s GLU 664 Cb -0.10 -3.39 0.03 0.00 0.10 0.00 0.00 34.13 30.76 1u2j s GLU 664 CO 0.07 -0.28 0.85 0.20 0.02 0.00 0.00 175.26 176.12 1u2j s GLY 665 N 1.60 1.53 -0.15 -1.39 0.00 0.14 -2.26 107.32 106.79 1u2j s GLY 665 Ca 0.05 -1.01 -0.06 0.00 0.00 0.00 0.00 44.72 43.70 1u2j s GLY 665 CO 0.04 1.89 0.06 -1.60 0.00 0.00 0.00 173.10 173.50 1u2j s ARG 666 N 3.52 3.68 0.05 2.90 3.52 0.09 -1.63 118.95 131.07 1u2j s ARG 666 Ca 0.31 -0.32 -0.31 0.00 -0.13 0.00 0.00 55.73 55.29 1u2j s ARG 666 Cb -0.12 -3.12 -0.06 0.00 -1.56 0.00 0.00 34.95 30.09 1u2j s ARG 666 CO 0.23 0.46 1.28 0.34 -0.81 0.00 0.00 175.30 176.80 1u2j s ASP 667 N -0.15 6.97 -0.55 -2.12 -1.08 -0.27 0.63 116.67 120.10 1u2j s ASP 667 Ca 0.07 2.09 -0.03 0.00 -0.52 0.00 0.00 52.55 54.16 1u2j s ASP 667 Cb -0.12 -2.58 0.19 0.00 -1.46 0.00 0.00 42.92 38.95 1u2j s ASP 667 CO 0.01 -0.57 2.42 -2.11 0.52 0.00 0.00 175.17 175.44 1u2j n ARG 668 N 4.34 2.43 0.00 4.34 1.85 -0.47 -2.97 116.66 126.18 1u2j n ARG 668 Ca 0.11 -2.61 0.00 0.00 -1.00 0.00 0.00 57.85 54.34 1u2j n ARG 668 Cb 0.45 -2.12 0.00 0.00 -1.05 0.00 0.00 32.46 29.74 1u2j n ARG 668 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1u2j n GLU 669 N 0.30 2.36 -3.02 2.89 2.13 -1.26 -4.96 120.64 119.08 1u2j n GLU 669 Ca 0.49 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 58.14 1u2j n GLU 669 Cb 0.49 -0.20 -0.02 0.00 0.27 0.00 0.00 31.44 31.98 1u2j n GLU 669 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1u2j n THR 670 N 0.00 -0.45 0.00 6.31 -2.24 -1.26 -5.03 114.28 111.61 1u2j n THR 670 Ca 0.00 -2.71 0.00 0.00 -2.27 0.00 0.00 64.05 59.07 1u2j n THR 670 Cb 0.00 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 1.88 0.00 3.73 3.38 0.00 -1.16 -4.73 105.19 108.28 1u2j n GLY 671 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 1.87 -0.82 1.61 4.04 -1.26 -4.64 118.70 119.50 1u2j s GLU 672 Ca 0.00 1.45 -0.18 0.00 0.04 0.00 0.00 54.97 56.28 1u2j s GLU 672 Cb 0.00 -1.83 0.14 0.00 0.02 0.00 0.00 34.13 32.46 1u2j s GLU 672 CO 0.00 -1.98 0.94 0.08 -1.84 0.00 0.00 175.26 172.47 1u2j s VAL 673 N -2.56 4.95 0.02 1.83 1.01 -1.26 -1.12 120.40 123.27 1u2j s VAL 673 Ca 0.66 -1.62 -0.27 0.00 0.00 0.00 0.00 61.98 60.75 1u2j s VAL 673 Cb -0.22 -4.64 -0.15 0.00 0.00 0.00 0.00 36.38 31.37 1u2j s VAL 673 CO 0.53 -1.31 1.20 0.11 0.00 0.00 0.00 175.10 175.63 1u2j h LYS 674 N 8.68 -0.96 -5.89 2.72 1.79 -1.68 -3.48 116.57 117.76 1u2j h LYS 674 Ca 0.03 0.07 -0.56 0.00 -2.18 0.00 0.00 60.65 58.00 1u2j h LYS 674 Cb 1.04 0.22 -0.14 0.00 -1.58 0.00 0.00 32.23 31.77 1u2j h LYS 674 CO 1.02 -0.64 -0.72 -0.06 -1.08 0.00 0.00 179.45 177.97 1u2j s PHE 675 N -4.85 2.15 0.35 -1.35 0.08 -1.16 -4.98 117.98 108.22 1u2j s PHE 675 Ca -0.14 -0.49 0.08 0.00 0.12 0.00 0.00 56.93 56.50 1u2j s PHE 675 Cb 0.01 -1.08 -0.05 0.00 -0.57 0.00 0.00 43.02 41.33 1u2j s PHE 675 CO 0.43 0.54 0.09 0.95 -0.10 0.00 0.00 175.22 177.13 1u2j s THR 676 N -2.71 2.75 -0.11 0.64 -4.23 -1.26 0.23 115.64 110.95 1u2j s THR 676 Ca 0.29 -1.82 -0.24 0.00 -1.18 0.00 0.00 61.69 58.74 1u2j s THR 676 Cb -0.01 -2.90 0.06 0.00 1.34 0.00 0.00 72.50 70.99 1u2j s THR 676 CO 0.13 -0.17 0.57 0.00 -0.54 0.00 0.00 174.62 174.62 1u2j s ALA 677 N -2.49 -1.46 0.63 3.99 0.00 0.32 -1.68 121.76 121.07 1u2j s ALA 677 Ca 0.37 1.26 0.05 0.00 0.00 0.00 0.00 51.96 53.63 1u2j s ALA 677 Cb -0.01 -0.35 0.10 0.00 0.00 0.00 0.00 23.12 22.86 1u2j s ALA 677 CO 0.21 -0.32 0.87 -1.54 0.00 0.00 0.00 175.76 174.98 1u2j s SER 678 N -0.66 4.81 0.35 0.00 1.04 -1.26 0.15 113.70 118.13 1u2j s SER 678 Ca -0.07 -0.59 0.15 0.00 0.48 0.00 0.00 55.95 55.91 1u2j s SER 678 Cb -0.03 0.07 0.63 0.00 0.10 0.00 0.00 66.02 66.79 1u2j s SER 678 CO 0.05 -1.53 1.74 0.03 0.98 0.00 0.00 173.24 174.51 1u2j h ARG 679 N -0.11 0.00 -0.40 4.02 3.08 -1.83 -1.48 114.38 117.66 1u2j h ARG 679 Ca -0.34 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.65 1u2j h ARG 679 Cb 1.28 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.31 1u2j h ARG 679 CO 0.41 0.44 -0.04 0.00 -1.07 0.00 0.00 179.97 179.71 1u2j h ALA 680 N 1.56 1.19 0.11 0.04 0.00 -1.89 0.28 119.26 120.54 1u2j h ALA 680 Ca -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1u2j h ALA 680 Cb 0.87 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1u2j h ALA 680 CO 0.06 0.53 -0.05 -0.44 0.00 0.00 0.00 179.25 179.34 1u2j h ASP 681 N 0.61 -0.12 -0.53 0.00 3.32 -1.79 -3.36 116.42 114.55 1u2j h ASP 681 Ca 0.12 -0.44 -0.09 0.00 0.02 0.00 0.00 57.03 56.63 1u2j h ASP 681 Cb 0.45 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1u2j h ASP 681 CO 0.02 0.44 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.88 1u2j h LEU 682 N -0.76 0.96 -1.69 1.55 -0.00 -1.23 -2.94 115.31 111.20 1u2j h LEU 682 Ca -0.01 -0.32 0.42 0.00 -0.00 0.00 0.00 57.88 57.97 1u2j h LEU 682 Cb 0.56 -0.26 -0.06 0.00 -0.00 0.00 0.00 40.66 40.90 1u2j h LEU 682 CO 0.02 1.05 1.22 1.62 -0.00 0.00 0.00 178.44 182.36 1u2j h VAL 683 N 0.84 0.08 0.00 1.22 3.04 -1.08 0.52 116.25 120.87 1u2j h VAL 683 Ca 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.84 1u2j h VAL 683 Cb 0.58 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 29.96 1u2j h VAL 683 CO 0.03 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.08 1u2j n PHE 684 N -3.73 0.00 -0.00 3.17 3.72 -1.11 -2.08 117.46 117.43 1u2j n PHE 684 Ca 0.33 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.74 1u2j n PHE 684 Cb 1.67 -0.32 -0.02 0.00 -0.94 0.00 0.00 39.48 39.87 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 -0.11 -0.10 0.11 1.37 0.00 0.18 -3.50 105.19 103.14 1u2j n GLY 685 Ca 0.06 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.24 -3.36 1.61 4.64 -1.48 -3.46 113.55 111.74 1u2j h SER 686 Ca -0.00 -0.51 -0.56 0.00 -0.47 0.00 0.00 61.79 60.25 1u2j h SER 686 Cb 0.12 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.09 1u2j h SER 686 CO 0.00 1.45 0.27 0.21 -0.87 0.00 0.00 176.83 177.90 1u2j s ASN 687 N -6.65 7.13 0.20 4.97 2.47 -0.89 -4.97 114.94 117.21 1u2j s ASN 687 Ca -0.13 1.37 -0.11 0.00 0.42 0.00 0.00 52.86 54.41 1u2j s ASN 687 Cb 0.07 -2.48 0.17 0.00 -1.45 0.00 0.00 41.25 37.56 1u2j s ASN 687 CO 0.80 -0.24 1.84 0.28 -3.72 0.00 0.00 177.10 176.07 1u2j h SER 688 N 6.90 0.69 -0.25 -4.21 0.02 -1.90 -1.19 113.55 113.61 1u2j h SER 688 Ca -0.38 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.46 1u2j h SER 688 Cb 1.19 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 1u2j h SER 688 CO 0.77 0.48 -0.27 0.58 -1.14 0.00 0.00 176.83 177.25 1u2j h VAL 689 N 0.82 1.31 -0.21 2.27 2.07 -1.97 -2.89 116.25 117.66 1u2j h VAL 689 Ca 0.26 -1.45 -0.05 0.00 0.82 0.00 0.00 66.70 66.29 1u2j h VAL 689 Cb 0.00 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1u2j h VAL 689 CO -0.10 0.45 -0.08 -0.07 0.02 0.00 0.00 177.57 177.79 1u2j h LEU 690 N 0.33 0.30 -0.58 2.57 3.38 -1.83 -3.10 115.31 116.39 1u2j h LEU 690 Ca 0.04 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1u2j h LEU 690 Cb 0.84 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1u2j h LEU 690 CO 0.07 0.43 -0.50 -0.09 0.09 0.00 0.00 178.44 178.43 1u2j h ARG 691 N 0.31 0.53 -0.02 1.13 2.43 -1.07 -0.12 114.38 117.57 1u2j h ARG 691 Ca 0.07 -0.31 -0.07 0.00 -0.81 0.00 0.00 59.98 58.85 1u2j h ARG 691 Cb 0.34 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1u2j h ARG 691 CO 0.02 0.91 -0.32 0.00 -1.51 0.00 0.00 179.97 179.07 1u2j h ALA 692 N 1.03 1.44 -0.06 2.80 0.00 -1.43 0.30 119.26 123.35 1u2j h ALA 692 Ca 0.02 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1u2j h ALA 692 Cb 1.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1u2j h ALA 692 CO 0.09 0.41 -0.18 0.28 0.00 0.00 0.00 179.25 179.86 1u2j h VAL 693 N 0.03 1.44 -0.26 0.00 2.07 -1.51 -3.05 116.25 114.98 1u2j h VAL 693 Ca 0.00 -1.58 0.06 0.00 0.82 0.00 0.00 66.70 66.00 1u2j h VAL 693 Cb 0.58 2.33 -0.06 0.00 -1.52 0.00 0.00 31.29 32.61 1u2j h VAL 693 CO 0.04 0.44 -0.17 0.00 0.02 0.00 0.00 177.57 177.91 1u2j h ALA 694 N 0.43 0.02 -0.64 1.67 0.00 0.02 -1.98 119.26 118.78 1u2j h ALA 694 Ca -0.01 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1u2j h ALA 694 Cb 0.81 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1u2j h ALA 694 CO 0.04 -0.58 0.42 0.93 0.00 0.00 0.00 179.25 180.06 1u2j h GLU 695 N -0.15 0.81 -0.76 0.00 5.08 -0.55 -0.46 114.58 118.55 1u2j h GLU 695 Ca 0.14 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1u2j h GLU 695 Cb 0.36 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1u2j h GLU 695 CO -0.35 0.53 0.34 0.28 -1.00 0.00 0.00 179.01 178.81 1u2j h VAL 696 N 0.83 1.25 -0.00 3.13 2.07 -1.26 0.26 116.25 122.53 1u2j h VAL 696 Ca 0.24 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1u2j h VAL 696 Cb -0.04 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1u2j h VAL 696 CO -0.06 0.31 -0.00 -1.22 0.02 0.00 0.00 177.57 176.62 1u2j n TYR 697 N -4.35 0.00 0.22 1.57 4.01 -0.31 -4.04 117.16 114.26 1u2j n TYR 697 Ca 0.07 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.92 1u2j n TYR 697 Cb 0.16 -0.01 -0.11 0.00 -0.31 0.00 0.00 39.34 39.07 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 -0.96 3.10 -1.89 -0.72 0.00 0.07 -4.76 120.51 115.36 1u2j n ALA 698 Ca 0.23 -0.47 -0.32 0.00 0.00 0.00 0.00 53.44 52.88 1u2j n ALA 698 Cb 0.13 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 1u2j n ALA 698 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1u2j s SER 699 N -4.36 6.58 0.63 0.00 1.04 -1.15 -4.65 113.70 111.79 1u2j s SER 699 Ca -0.03 1.50 0.29 0.00 0.48 0.00 0.00 55.95 58.19 1u2j s SER 699 Cb 0.14 -2.48 1.55 0.00 0.10 0.00 0.00 66.02 65.32 1u2j s SER 699 CO 0.87 -0.58 1.91 0.77 0.98 0.00 0.00 173.24 177.19 1u2j h SER 700 N 0.88 0.00 -0.24 7.02 4.64 -1.95 0.53 113.55 124.43 1u2j h SER 700 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1u2j h SER 700 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1u2j h SER 700 CO 0.62 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.68 1u2j n ASP 701 N -3.25 3.73 -1.30 4.97 5.68 -1.26 -4.49 116.55 120.64 1u2j n ASP 701 Ca 0.02 -2.99 0.08 0.00 -0.50 0.00 0.00 54.79 51.41 1u2j n ASP 701 Cb 0.50 -0.52 0.29 0.00 -1.14 0.00 0.00 41.12 40.24 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 -0.55 2.82 0.07 2.12 0.00 0.19 -4.67 120.51 120.49 1u2j n ALA 702 Ca 0.21 -1.23 -0.12 0.00 0.00 0.00 0.00 53.44 52.29 1u2j n ALA 702 Cb 0.86 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.22 1u2j n ALA 702 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u2j h HIS 703 N 3.45 -0.20 -0.14 0.00 3.86 -1.79 -1.57 115.15 118.76 1u2j h HIS 703 Ca 0.00 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 1u2j h HIS 703 Cb 1.12 0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.64 1u2j h HIS 703 CO 0.57 0.21 -0.24 0.93 0.86 0.00 0.00 177.93 180.27 1u2j h GLU 704 N -0.71 0.26 -0.11 2.45 5.08 -1.97 -2.80 114.58 116.78 1u2j h GLU 704 Ca -0.02 -0.08 -0.22 0.00 -1.00 0.00 0.00 59.36 58.04 1u2j h GLU 704 Cb 0.51 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.74 1u2j h GLU 704 CO 0.04 0.49 -0.81 1.57 -1.00 0.00 0.00 179.01 179.30 1u2j h LYS 705 N 0.23 0.66 -0.35 2.33 2.10 -1.86 -0.72 116.57 118.96 1u2j h LYS 705 Ca 0.04 -0.56 -0.02 0.00 -2.00 0.00 0.00 60.65 58.10 1u2j h LYS 705 Cb 0.56 0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 32.00 1u2j h LYS 705 CO 0.04 1.18 0.13 0.35 -2.00 0.00 0.00 179.45 179.14 1u2j h PHE 706 N 0.43 0.54 -0.59 0.07 3.57 -1.18 0.45 116.94 120.23 1u2j h PHE 706 Ca -0.06 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.32 1u2j h PHE 706 Cb 1.43 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 1u2j h PHE 706 CO 0.08 0.51 0.05 0.28 -2.23 0.00 0.00 178.31 177.00 1u2j h VAL 707 N 0.41 1.26 0.56 1.41 2.07 -1.52 0.65 116.25 121.09 1u2j h VAL 707 Ca 0.11 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 1u2j h VAL 707 Cb 0.21 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1u2j h VAL 707 CO -0.01 0.39 -0.32 0.11 0.02 0.00 0.00 177.57 177.76 1u2j h LYS 708 N 0.90 -0.79 -0.76 1.57 1.57 -0.70 0.24 116.57 118.59 1u2j h LYS 708 Ca 0.17 0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1u2j h LYS 708 Cb 0.48 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 1u2j h LYS 708 CO 0.02 -0.53 0.50 -0.44 -0.57 0.00 0.00 179.45 178.43 1u2j h ASP 709 N -0.82 0.77 -0.18 0.86 3.45 -0.06 -1.10 116.42 119.34 1u2j h ASP 709 Ca -0.07 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.35 1u2j h ASP 709 Cb 0.66 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.25 1u2j h ASP 709 CO 0.09 0.52 -0.01 0.15 -1.57 0.00 0.00 179.24 178.42 1u2j h PHE 710 N 0.89 0.36 -0.51 4.55 3.57 0.58 -1.99 116.94 124.38 1u2j h PHE 710 Ca 0.31 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 1u2j h PHE 710 Cb 0.11 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1u2j h PHE 710 CO -0.00 0.54 0.22 0.28 -2.23 0.00 0.00 178.31 177.12 1u2j h VAL 711 N 0.07 1.21 -0.28 1.41 2.07 -0.35 -1.57 116.25 118.81 1u2j h VAL 711 Ca 0.05 -0.63 0.04 0.00 0.82 0.00 0.00 66.70 66.98 1u2j h VAL 711 Cb 0.40 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1u2j h VAL 711 CO 0.01 0.24 0.05 0.00 0.02 0.00 0.00 177.57 177.89 1u2j h ALA 712 N 1.06 0.29 -0.56 1.67 0.00 -1.12 0.15 119.26 120.76 1u2j h ALA 712 Ca 0.17 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1u2j h ALA 712 Cb 0.17 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1u2j h ALA 712 CO -0.02 -0.37 0.11 0.00 0.00 0.00 0.00 179.25 178.98 1u2j h ALA 713 N 1.21 1.13 -0.11 0.00 0.00 -1.21 0.13 119.26 120.41 1u2j h ALA 713 Ca 0.13 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1u2j h ALA 713 Cb 0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1u2j h ALA 713 CO -0.18 0.58 -0.16 2.35 0.00 0.00 0.00 179.25 181.84 1u2j h TRP 714 N 0.85 0.37 -0.44 0.00 2.91 -0.56 0.13 115.95 119.21 1u2j h TRP 714 Ca 0.18 -0.12 -0.02 0.00 1.13 0.00 0.00 58.89 60.05 1u2j h TRP 714 Cb 0.35 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 28.91 1u2j h TRP 714 CO 0.02 0.76 0.17 0.28 -1.03 0.00 0.00 178.44 178.64 1u2j h VAL 715 N -0.13 1.17 -0.51 2.65 2.07 -0.39 0.11 116.25 121.22 1u2j h VAL 715 Ca 0.01 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1u2j h VAL 715 Cb 0.72 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1u2j h VAL 715 CO 0.04 0.21 0.29 0.50 0.02 0.00 0.00 177.57 178.62 1u2j h LYS 716 N 0.62 0.71 -0.43 1.57 3.64 -0.06 -1.68 116.57 120.94 1u2j h LYS 716 Ca 0.15 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 1u2j h LYS 716 Cb 0.14 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1u2j h LYS 716 CO -0.01 0.54 -0.11 0.28 -2.27 0.00 0.00 179.45 177.88 1u2j h VAL 717 N 0.68 1.26 0.00 2.00 2.07 -0.16 -1.66 116.25 120.44 1u2j h VAL 717 Ca 0.18 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 1u2j h VAL 717 Cb 0.03 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1u2j h VAL 717 CO -0.03 0.39 -0.10 0.24 0.02 0.00 0.00 177.57 178.10 1u2j h MET 718 N 0.69 0.00 -0.36 1.57 2.86 -0.23 -3.25 114.93 116.22 1u2j h MET 718 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1u2j h MET 718 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1u2j h MET 718 CO 0.04 0.10 0.00 0.09 1.06 0.00 0.00 176.91 178.20 1u2j n ASN 719 N -3.48 4.42 0.02 1.22 3.02 -0.63 -4.72 115.26 115.11 1u2j n ASN 719 Ca -0.01 -2.98 -0.12 0.00 -0.03 0.00 0.00 54.58 51.44 1u2j n ASN 719 Cb 0.24 -0.58 -0.07 0.00 -0.61 0.00 0.00 39.78 38.76 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 2.46 0.03 -1.32 3.41 3.38 -1.57 -2.70 115.31 119.00 1u2j h LEU 720 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1u2j h LEU 720 Cb 1.59 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.33 1u2j h LEU 720 CO 0.30 0.06 0.00 -0.90 0.09 0.00 0.00 178.44 177.99 1u2j n ASP 721 N -5.05 2.01 -2.32 -0.43 5.75 -1.26 -4.41 116.55 110.84 1u2j n ASP 721 Ca -0.07 -1.71 -0.10 0.00 -0.01 0.00 0.00 54.79 52.90 1u2j n ASP 721 Cb 0.05 -0.08 -0.10 0.00 -1.03 0.00 0.00 41.12 39.96 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 0.55 1.46 0.18 0.11 5.12 -1.02 -4.48 116.66 118.59 1u2j n ARG 722 Ca 0.17 -0.79 0.13 0.00 -1.93 0.00 0.00 57.85 55.43 1u2j n ARG 722 Cb 0.41 -1.92 0.66 0.00 -1.16 0.00 0.00 32.46 30.45 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 4.32 0.00 0.00 -1.55 0.04 -1.83 -0.47 116.94 117.46 1u2j h PHE 723 Ca 0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 1u2j h PHE 723 Cb 0.88 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.03 1u2j h PHE 723 CO 1.58 0.00 0.00 0.38 -0.60 0.00 0.00 178.31 179.67 1u2j h ASP 724 N 0.00 0.00 0.30 2.17 -0.00 -1.97 -3.17 116.42 113.74 1u2j h ASP 724 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.03 56.77 1u2j h ASP 724 Cb 0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 39.34 1u2j h ASP 724 CO 0.00 0.00 -1.93 -0.11 -0.00 0.00 0.00 179.24 177.20 1u2j n LEU 725 N -3.05 0.44 0.00 0.15 7.94 -0.19 -5.24 117.00 117.06 1u2j n LEU 725 Ca 0.01 0.20 0.00 0.00 -1.11 0.00 0.00 56.01 55.11 1u2j n LEU 725 Cb 0.35 0.26 0.00 0.00 0.53 0.00 0.00 43.42 44.55 1u2j n LEU 725 CO 0.28 0.33 0.00 0.18 -1.11 0.00 0.00 177.39 177.07