#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u2k s ASP 436 N 0.00 6.99 0.09 1.69 1.11 -1.26 -4.99 116.67 120.29 1u2k s ASP 436 Ca 0.00 -2.99 -0.30 0.00 0.18 0.00 0.00 52.55 49.43 1u2k s ASP 436 Cb 0.00 -2.24 -0.15 0.00 1.07 0.00 0.00 42.92 41.60 1u2k s ASP 436 CO 0.00 -0.52 1.64 1.55 1.18 0.00 0.00 175.17 179.01 1u2k h PRO 437 N 7.41 -0.67 -7.13 8.23 0.13 -2.09 -3.44 132.00 134.44 1u2k h PRO 437 Ca 0.16 0.05 -0.48 0.00 -0.87 0.00 0.00 66.00 64.85 1u2k h PRO 437 Cb 0.96 0.15 0.04 0.00 0.13 0.00 0.00 31.00 32.29 1u2k h PRO 437 CO 0.92 -0.45 0.38 -0.51 -0.23 0.00 0.00 178.00 178.11 1u2k s LEU 438 N -10.15 3.69 0.72 1.56 1.43 -1.26 -5.02 118.68 109.65 1u2k s LEU 438 Ca -0.17 1.86 -0.15 0.00 -1.03 0.00 0.00 54.13 54.65 1u2k s LEU 438 Cb 0.05 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.76 1u2k s LEU 438 CO 0.63 -0.93 1.18 -2.84 0.23 0.00 0.00 176.35 174.62 1u2k s PRO 439 N -3.63 2.25 0.52 1.29 0.02 -1.26 -4.99 135.00 129.19 1u2k s PRO 439 Ca 0.65 1.64 -0.22 0.00 0.02 0.00 0.00 61.00 63.09 1u2k s PRO 439 Cb -0.16 -1.86 -0.06 0.00 0.02 0.00 0.00 34.50 32.44 1u2k s PRO 439 CO 0.28 -1.73 1.23 0.94 -0.33 0.00 0.00 177.00 177.39 1u2k n GLN 440 N -2.74 1.57 -1.63 5.54 -0.06 -1.26 -4.93 117.38 113.87 1u2k n GLN 440 Ca 0.12 0.57 -0.38 0.00 -2.00 0.00 0.00 57.00 55.32 1u2k n GLN 440 Cb 0.51 -2.41 0.05 0.00 -4.06 0.00 0.00 30.24 24.33 1u2k n GLN 440 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1u2k n PRO 441 N -0.67 0.98 -3.94 3.69 -0.02 -1.26 -5.00 135.00 128.79 1u2k n PRO 441 Ca 0.10 0.38 -0.35 0.00 -2.02 0.00 0.00 63.50 61.61 1u2k n PRO 441 Cb 0.43 -2.22 -0.08 0.00 -0.02 0.00 0.00 33.50 31.61 1u2k n PRO 441 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1u2k s ILE 442 N -1.48 5.05 0.06 4.25 -1.09 -1.26 -5.04 121.20 121.70 1u2k s ILE 442 Ca 0.76 0.05 0.06 0.00 -2.23 0.00 0.00 60.65 59.29 1u2k s ILE 442 Cb -0.42 -3.26 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 1u2k s ILE 442 CO 0.47 0.50 -0.10 -0.31 -1.23 0.00 0.00 174.94 174.27 1u2k s TYR 443 N -0.03 2.76 -0.40 3.97 1.51 -1.26 -5.05 117.35 118.85 1u2k s TYR 443 Ca 0.08 -0.13 0.07 0.00 -1.01 0.00 0.00 57.07 56.07 1u2k s TYR 443 Cb -0.12 -1.50 0.22 0.00 -0.11 0.00 0.00 41.96 40.46 1u2k s TYR 443 CO 0.00 0.38 0.48 -1.71 -1.11 0.00 0.00 175.55 173.59 1u2k n ASN 444 N 1.13 -0.23 -4.59 2.29 5.15 -1.26 -5.00 115.26 112.75 1u2k n ASN 444 Ca -0.14 -2.61 -0.47 0.00 -0.60 0.00 0.00 54.58 50.75 1u2k n ASN 444 Cb 0.52 -0.48 -0.03 0.00 -0.53 0.00 0.00 39.78 39.27 1u2k n ASN 444 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1u2k n PRO 445 N 1.92 1.29 -2.85 1.20 -0.01 -1.23 -4.99 135.00 130.33 1u2k n PRO 445 Ca 0.23 0.46 -0.21 0.00 -0.01 0.00 0.00 63.50 63.97 1u2k n PRO 445 Cb 0.52 -1.92 0.08 0.00 -0.01 0.00 0.00 33.50 32.18 1u2k n PRO 445 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 175.50 176.44 1u2k s THR 446 N -0.48 2.12 0.46 3.45 -4.23 -1.26 -4.94 115.64 110.75 1u2k s THR 446 Ca 0.68 -0.83 0.23 0.00 -1.18 0.00 0.00 61.69 60.59 1u2k s THR 446 Cb -0.78 -2.29 0.27 0.00 1.34 0.00 0.00 72.50 71.03 1u2k s THR 446 CO 0.55 0.00 2.08 -0.33 -0.54 0.00 0.00 174.62 176.37 1u2k h GLU 447 N -0.14 0.00 0.10 3.99 3.07 -2.00 -1.73 114.58 117.87 1u2k h GLU 447 Ca -0.32 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.20 1u2k h GLU 447 Cb 1.28 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.17 1u2k h GLU 447 CO 0.40 0.12 -1.85 0.37 -1.40 0.00 0.00 179.01 176.64 1u2k h GLN 448 N 0.00 0.22 -0.72 2.33 5.75 -1.99 -2.15 115.11 118.55 1u2k h GLN 448 Ca -0.00 -0.37 0.14 0.00 -0.15 0.00 0.00 58.65 58.26 1u2k h GLN 448 Cb 0.27 0.14 -0.14 0.00 1.07 0.00 0.00 27.48 28.83 1u2k h GLN 448 CO 0.02 1.06 -0.25 -0.44 -2.65 0.00 0.00 178.83 176.56 1u2k h ASP 449 N 0.06 -0.89 -0.16 -0.69 3.32 -1.87 -1.38 116.42 114.82 1u2k h ASP 449 Ca -0.36 0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1u2k h ASP 449 Cb 2.04 0.52 -0.01 0.00 0.22 0.00 0.00 39.33 42.10 1u2k h ASP 449 CO 0.10 -0.27 0.01 0.40 -1.72 0.00 0.00 179.24 177.77 1u2k h ILE 450 N -0.05 1.24 -0.84 0.35 2.04 -1.20 -1.49 117.51 117.55 1u2k h ILE 450 Ca 0.32 -0.78 0.16 0.00 1.00 0.00 0.00 64.86 65.56 1u2k h ILE 450 Cb 0.55 1.46 -0.16 0.00 -0.74 0.00 0.00 36.82 37.93 1u2k h ILE 450 CO -0.76 0.23 -0.24 0.40 0.00 0.00 0.00 178.15 177.78 1u2k h ILE 451 N 0.03 0.14 -0.16 -0.67 1.08 -1.25 0.81 117.51 117.48 1u2k h ILE 451 Ca 0.05 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.41 1u2k h ILE 451 Cb 0.34 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 1u2k h ILE 451 CO 0.01 0.00 -0.38 0.44 -0.69 0.00 0.00 178.15 177.53 1u2k h ASP 452 N -0.02 0.36 0.11 1.72 3.32 -1.15 -1.53 116.42 119.23 1u2k h ASP 452 Ca 0.38 -0.14 -0.17 0.00 0.02 0.00 0.00 57.03 57.12 1u2k h ASP 452 Cb 0.61 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 1u2k h ASP 452 CO -0.87 0.71 -0.63 -0.07 -1.72 0.00 0.00 179.24 176.66 1u2k h LEU 453 N 0.29 0.57 -0.47 1.55 3.38 -0.62 0.14 115.31 120.16 1u2k h LEU 453 Ca 0.03 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1u2k h LEU 453 Cb 0.80 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1u2k h LEU 453 CO 0.06 1.06 0.26 0.11 0.09 0.00 0.00 178.44 180.02 1u2k h LYS 454 N 0.37 0.65 -0.46 1.13 1.57 -0.86 -0.89 116.57 118.07 1u2k h LYS 454 Ca -0.01 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1u2k h LYS 454 Cb 1.19 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.33 1u2k h LYS 454 CO 0.11 0.51 0.20 0.35 -0.57 0.00 0.00 179.45 180.05 1u2k h PHE 455 N 0.62 0.36 -0.53 -1.35 3.57 -1.05 0.32 116.94 118.87 1u2k h PHE 455 Ca 0.16 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1u2k h PHE 455 Cb 0.04 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1u2k h PHE 455 CO -0.02 0.16 0.32 0.00 -2.23 0.00 0.00 178.31 176.54 1u2k h ALA 456 N 1.27 0.68 -0.27 2.41 0.00 -0.88 -0.98 119.26 121.49 1u2k h ALA 456 Ca 0.21 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 1u2k h ALA 456 Cb 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1u2k h ALA 456 CO -0.18 0.16 -0.56 0.82 0.00 0.00 0.00 179.25 179.49 1u2k h ILE 457 N 0.72 1.28 -0.23 0.00 2.04 -0.70 -2.90 117.51 117.71 1u2k h ILE 457 Ca 0.19 -1.74 0.00 0.00 1.00 0.00 0.00 64.86 64.31 1u2k h ILE 457 Cb -0.02 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1u2k h ILE 457 CO -0.04 0.57 0.15 0.00 0.00 0.00 0.00 178.15 178.83 1u2k h ALA 458 N 0.66 1.84 -0.50 1.87 0.00 0.02 -2.79 119.26 120.36 1u2k h ALA 458 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1u2k h ALA 458 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1u2k h ALA 458 CO 0.12 0.14 0.00 -3.47 0.00 0.00 0.00 179.25 176.05 1u2k n ASP 459 N -4.50 3.02 -0.37 0.00 2.03 -0.41 -4.53 116.55 111.79 1u2k n ASP 459 Ca 0.00 -1.97 0.14 0.00 0.52 0.00 0.00 54.79 53.49 1u2k n ASP 459 Cb 0.08 -0.33 0.61 0.00 -0.72 0.00 0.00 41.12 40.76 1u2k n ASP 459 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1u2k n SER 460 N 1.16 1.16 0.00 1.67 3.41 -1.05 -4.92 113.62 115.05 1u2k n SER 460 Ca 0.19 -1.37 0.00 0.00 -0.26 0.00 0.00 58.87 57.44 1u2k n SER 460 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1u2k n SER 460 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u2k n GLY 461 N 1.14 2.55 3.73 5.00 0.00 -1.26 -5.02 105.19 111.34 1u2k n GLY 461 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1u2k n GLY 461 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u2k s LEU 462 N 0.00 4.36 0.63 0.99 1.43 -1.26 -5.02 118.68 119.82 1u2k s LEU 462 Ca 0.00 2.87 -0.08 0.00 -1.03 0.00 0.00 54.13 55.89 1u2k s LEU 462 Cb 0.00 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.62 1u2k s LEU 462 CO 0.00 -0.93 0.97 -0.94 0.23 0.00 0.00 176.35 175.69 1u2k s SER 463 N 0.88 5.52 0.25 2.29 1.04 -1.26 -4.84 113.70 117.58 1u2k s SER 463 Ca 0.69 0.85 -0.04 0.00 0.48 0.00 0.00 55.95 57.94 1u2k s SER 463 Cb -0.48 -1.77 0.48 0.00 0.10 0.00 0.00 66.02 64.35 1u2k s SER 463 CO 0.39 -1.18 1.70 0.58 0.98 0.00 0.00 173.24 175.71 1u2k h VAL 464 N -0.35 0.56 -0.63 5.02 2.07 -1.92 -0.23 116.25 120.77 1u2k h VAL 464 Ca -0.45 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 66.97 1u2k h VAL 464 Cb 1.26 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1u2k h VAL 464 CO 0.62 0.06 0.40 0.28 0.02 0.00 0.00 177.57 178.95 1u2k h SER 465 N 0.34 0.68 -0.55 0.57 0.02 -1.88 -1.43 113.55 111.31 1u2k h SER 465 Ca 0.42 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.28 1u2k h SER 465 Cb 0.71 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1u2k h SER 465 CO -0.47 0.49 -0.01 -0.33 -1.14 0.00 0.00 176.83 175.36 1u2k h GLU 466 N 0.81 0.97 -0.35 3.45 5.08 -1.72 -1.37 114.58 121.45 1u2k h GLU 466 Ca 0.24 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1u2k h GLU 466 Cb -0.04 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1u2k h GLU 466 CO -0.08 0.98 0.16 -0.07 -1.00 0.00 0.00 179.01 179.00 1u2k h LEU 467 N 0.85 0.48 -0.64 1.33 3.38 -0.84 -1.87 115.31 117.99 1u2k h LEU 467 Ca 0.15 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1u2k h LEU 467 Cb 0.55 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1u2k h LEU 467 CO 0.03 0.49 -0.31 0.58 0.09 0.00 0.00 178.44 179.32 1u2k h VAL 468 N 0.43 1.28 -0.26 1.22 2.07 -1.30 -3.04 116.25 116.65 1u2k h VAL 468 Ca 0.12 -1.45 -0.04 0.00 0.82 0.00 0.00 66.70 66.15 1u2k h VAL 468 Cb 0.15 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1u2k h VAL 468 CO -0.01 0.47 0.02 0.28 0.02 0.00 0.00 177.57 178.35 1u2k h SER 469 N 0.61 0.44 -0.26 0.57 0.02 -1.05 -1.58 113.55 112.29 1u2k h SER 469 Ca 0.07 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1u2k h SER 469 Cb 0.83 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1u2k h SER 469 CO 0.07 0.62 0.16 1.62 -1.14 0.00 0.00 176.83 178.16 1u2k h VAL 470 N 0.25 1.08 -0.99 2.27 3.04 -1.40 0.48 116.25 120.98 1u2k h VAL 470 Ca 0.08 -0.17 0.02 0.00 -1.01 0.00 0.00 66.70 65.62 1u2k h VAL 470 Cb 0.38 0.73 -0.05 0.00 -2.01 0.00 0.00 31.29 30.34 1u2k h VAL 470 CO 0.01 0.08 0.65 0.00 -1.01 0.00 0.00 177.57 177.30 1u2k h ALA 471 N 1.07 1.28 -0.18 3.17 0.00 -1.51 -2.22 119.26 120.87 1u2k h ALA 471 Ca 0.09 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1u2k h ALA 471 Cb -0.01 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 17.41 1u2k h ALA 471 CO -0.02 0.59 -0.65 2.35 0.00 0.00 0.00 179.25 181.52 1u2k h TRP 472 N 1.29 1.00 -0.56 0.00 2.91 -1.04 -1.44 115.95 118.12 1u2k h TRP 472 Ca 0.38 -0.42 0.04 0.00 1.13 0.00 0.00 58.89 60.02 1u2k h TRP 472 Cb -0.08 -0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 28.37 1u2k h TRP 472 CO -0.00 1.24 0.37 0.00 -1.03 0.00 0.00 178.44 179.01 1u2k h ALA 473 N 0.57 1.78 0.19 2.65 0.00 -0.81 -0.65 119.26 122.98 1u2k h ALA 473 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1u2k h ALA 473 Cb 1.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1u2k h ALA 473 CO 0.14 0.15 -0.09 1.03 0.00 0.00 0.00 179.25 180.48 1u2k h SER 474 N 0.59 -0.21 0.76 0.00 0.87 -1.15 -3.36 113.55 111.05 1u2k h SER 474 Ca 0.23 -0.29 -0.14 0.00 -1.23 0.00 0.00 61.79 60.37 1u2k h SER 474 Cb 0.18 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1u2k h SER 474 CO -0.06 0.21 -0.66 0.00 -0.53 0.00 0.00 176.83 175.78 1u2k h ALA 475 N -0.00 0.84 -0.00 6.23 0.00 -0.99 -3.28 119.26 122.06 1u2k h ALA 475 Ca -0.03 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1u2k h ALA 475 Cb 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1u2k h ALA 475 CO 0.04 0.83 -0.00 -1.13 0.00 0.00 0.00 179.25 178.99 1u2k n SER 476 N -3.65 0.01 0.00 0.00 3.41 -0.28 -2.85 113.62 110.27 1u2k n SER 476 Ca -0.01 -0.93 0.13 0.00 -0.26 0.00 0.00 58.87 57.80 1u2k n SER 476 Cb 0.68 -0.02 0.64 0.00 -0.26 0.00 0.00 64.21 65.24 1u2k n SER 476 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1u2k n THR 477 N -1.02 0.15 -1.71 6.66 -2.24 -1.25 -4.90 114.28 109.97 1u2k n THR 477 Ca 0.23 0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.62 1u2k n THR 477 Cb 0.12 -0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 67.74 1u2k n THR 477 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1u2k n PHE 478 N -1.36 2.57 -4.83 4.78 7.35 -1.13 -4.18 117.46 120.66 1u2k n PHE 478 Ca 0.11 0.29 -0.28 0.00 -0.76 0.00 0.00 57.45 56.81 1u2k n PHE 478 Cb 0.25 -2.55 -0.17 0.00 0.35 0.00 0.00 39.48 37.35 1u2k n PHE 478 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1u2k s ARG 479 N -0.22 2.24 0.00 -4.13 0.52 -1.26 -4.34 118.95 111.76 1u2k s ARG 479 Ca 0.67 -0.60 -0.33 0.00 -0.52 0.00 0.00 55.73 54.95 1u2k s ARG 479 Cb -0.56 -1.76 -0.12 0.00 0.52 0.00 0.00 34.95 33.03 1u2k s ARG 479 CO 0.47 0.08 1.83 0.41 0.02 0.00 0.00 175.30 178.11 1u2k n GLY 480 N 3.71 1.48 0.00 -3.53 0.00 0.02 -2.28 105.19 104.59 1u2k n GLY 480 Ca -0.21 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1u2k n GLY 480 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u2k n GLY 481 N 4.22 2.73 3.68 -0.02 0.00 -1.26 -5.04 105.19 109.50 1u2k n GLY 481 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1u2k n GLY 481 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u2k s ASP 482 N -1.30 5.17 -0.85 1.61 2.15 -0.97 -5.04 116.67 117.44 1u2k s ASP 482 Ca 0.00 0.09 0.00 0.00 0.43 0.00 0.00 52.55 53.07 1u2k s ASP 482 Cb 0.00 -1.41 0.34 0.00 -0.30 0.00 0.00 42.92 41.55 1u2k s ASP 482 CO 0.00 0.35 1.66 0.29 -0.17 0.00 0.00 175.17 177.30 1u2k n LYS 483 N 1.92 4.20 0.00 4.34 4.01 -1.26 -4.50 118.16 126.87 1u2k n LYS 483 Ca -0.17 -4.40 0.00 0.00 -0.51 0.00 0.00 58.31 53.23 1u2k n LYS 483 Cb 0.53 -2.36 0.00 0.00 -0.51 0.00 0.00 35.03 32.69 1u2k n LYS 483 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1u2k n ARG 484 N -0.25 0.00 -2.50 1.97 0.63 -1.26 -5.12 116.66 110.13 1u2k n ARG 484 Ca 0.45 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 57.15 1u2k n ARG 484 Cb 0.31 -0.54 0.07 0.00 0.45 0.00 0.00 32.46 32.75 1u2k n ARG 484 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1u2k s GLY 485 N -3.90 1.78 0.00 5.14 0.00 -1.26 -5.00 107.32 104.08 1u2k s GLY 485 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.38 1u2k s GLY 485 CO 0.00 -0.93 0.00 0.61 0.00 0.00 0.00 173.10 172.78 1u2k n GLY 486 N -2.66 1.55 0.10 0.20 0.00 -1.26 -4.46 105.19 98.67 1u2k n GLY 486 Ca 0.10 -2.25 -0.02 0.00 0.00 0.00 0.00 46.02 43.84 1u2k n GLY 486 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2k h ALA 487 N 0.00 0.53 -2.37 4.61 0.00 -1.76 -3.43 119.26 116.84 1u2k h ALA 487 Ca 0.00 -0.69 -0.58 0.00 0.00 0.00 0.00 54.91 53.65 1u2k h ALA 487 Cb 0.00 -0.12 0.09 0.00 0.00 0.00 0.00 17.79 17.76 1u2k h ALA 487 CO 0.00 0.94 0.61 -1.71 0.00 0.00 0.00 179.25 179.09 1u2k n ASN 488 N -3.32 2.79 0.00 0.00 5.15 -1.26 -2.38 115.26 116.24 1u2k n ASN 488 Ca 0.01 1.15 0.00 0.00 -0.60 0.00 0.00 54.58 55.14 1u2k n ASN 488 Cb 0.82 -1.44 0.00 0.00 -0.53 0.00 0.00 39.78 38.63 1u2k n ASN 488 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1u2k n GLY 489 N 1.97 2.06 4.33 8.20 0.00 0.30 -4.62 105.19 117.43 1u2k n GLY 489 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1u2k n GLY 489 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2k n ALA 490 N -1.72 -1.63 0.42 4.61 0.00 -1.00 -0.96 120.51 120.24 1u2k n ALA 490 Ca 0.00 -0.27 0.12 0.00 0.00 0.00 0.00 53.44 53.29 1u2k n ALA 490 Cb 0.00 -1.88 0.48 0.00 0.00 0.00 0.00 19.45 18.04 1u2k n ALA 490 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u2k n ARG 491 N -4.36 0.19 0.20 0.00 1.74 -1.26 -2.09 116.66 111.09 1u2k n ARG 491 Ca -0.11 0.40 0.16 0.00 -0.77 0.00 0.00 57.85 57.52 1u2k n ARG 491 Cb 0.58 -1.85 0.80 0.00 -1.02 0.00 0.00 32.46 30.97 1u2k n ARG 491 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1u2k h LEU 492 N 0.00 0.00 0.00 0.55 5.85 -1.91 -1.66 115.31 118.14 1u2k h LEU 492 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1u2k h LEU 492 Cb 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1u2k h LEU 492 CO 0.00 0.00 -0.11 0.00 -0.34 0.00 0.00 178.44 177.99 1u2k n ALA 493 N -2.40 2.55 -2.39 1.25 0.00 -0.89 -2.77 120.51 115.86 1u2k n ALA 493 Ca 0.01 -0.14 -0.25 0.00 0.00 0.00 0.00 53.44 53.06 1u2k n ALA 493 Cb 0.28 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 1u2k n ALA 493 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1u2k s LEU 494 N -3.30 2.88 0.32 0.00 1.43 -0.62 -4.83 118.68 114.56 1u2k s LEU 494 Ca 0.13 -1.15 -0.26 0.00 -1.03 0.00 0.00 54.13 51.81 1u2k s LEU 494 Cb 0.17 -1.36 -0.10 0.00 0.03 0.00 0.00 46.19 44.93 1u2k s LEU 494 CO 0.58 -0.90 0.96 -0.04 0.23 0.00 0.00 176.35 177.18 1u2k s MET 495 N -4.16 4.57 0.00 1.70 -1.94 -1.26 -0.56 119.30 117.65 1u2k s MET 495 Ca 0.36 1.38 0.24 0.00 -1.71 0.00 0.00 55.69 55.96 1u2k s MET 495 Cb -0.01 -2.84 0.38 0.00 2.01 0.00 0.00 34.83 34.37 1u2k s MET 495 CO 0.22 0.26 1.38 -0.35 -0.01 0.00 0.00 175.02 176.51 1u2k n PRO 496 N 0.61 2.45 0.15 2.03 -0.04 -1.26 -4.82 135.00 134.12 1u2k n PRO 496 Ca 0.02 -2.17 0.02 0.00 -0.04 0.00 0.00 63.50 61.33 1u2k n PRO 496 Cb 0.50 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.82 1u2k n PRO 496 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1u2k h GLN 497 N 4.50 0.12 0.00 0.54 4.20 -1.63 -2.41 115.11 120.43 1u2k h GLN 497 Ca 0.00 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1u2k h GLN 497 Cb 0.98 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.75 1u2k h GLN 497 CO 0.00 0.39 -0.00 -0.09 -0.67 0.00 0.00 178.83 178.46 1u2k h ARG 498 N 0.11 0.00 -0.36 1.46 2.43 -0.65 -2.32 114.38 115.04 1u2k h ARG 498 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1u2k h ARG 498 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1u2k h ARG 498 CO 0.04 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.25 1u2k n ASP 499 N -4.14 3.82 -4.74 -3.80 8.00 -0.91 -4.88 116.55 109.89 1u2k n ASP 499 Ca -0.03 -2.60 -0.41 0.00 0.71 0.00 0.00 54.79 52.45 1u2k n ASP 499 Cb 0.09 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.70 1u2k n ASP 499 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1u2k s TRP 500 N -2.09 3.13 0.27 1.24 0.51 -0.88 -4.91 118.94 116.21 1u2k s TRP 500 Ca 0.38 1.14 -0.03 0.00 -2.12 0.00 0.00 56.10 55.46 1u2k s TRP 500 Cb 0.27 -3.71 0.55 0.00 -0.81 0.00 0.00 33.47 29.77 1u2k s TRP 500 CO 0.14 -2.27 1.62 -0.44 -0.51 0.00 0.00 176.95 175.49 1u2k h ASP 501 N 5.08 -0.31 -0.11 2.95 5.19 -1.94 -0.20 116.42 127.08 1u2k h ASP 501 Ca -0.46 0.21 0.01 0.00 -0.62 0.00 0.00 57.03 56.17 1u2k h ASP 501 Cb 1.22 0.36 -0.01 0.00 0.18 0.00 0.00 39.33 41.08 1u2k h ASP 501 CO 0.77 -0.21 0.07 1.62 -3.12 0.00 0.00 179.24 178.37 1u2k h VAL 502 N 0.11 1.01 -0.18 -1.35 3.04 -1.95 -2.69 116.25 114.24 1u2k h VAL 502 Ca 0.48 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 66.13 1u2k h VAL 502 Cb 0.90 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 31.06 1u2k h VAL 502 CO -0.72 0.02 0.00 0.59 -1.01 0.00 0.00 177.57 176.45 1u2k n ASN 503 N -4.52 1.52 -0.35 3.17 3.02 -0.09 -4.49 115.26 113.52 1u2k n ASN 503 Ca -0.01 -1.74 0.04 0.00 -0.03 0.00 0.00 54.58 52.84 1u2k n ASN 503 Cb 0.10 -0.12 0.21 0.00 -0.61 0.00 0.00 39.78 39.36 1u2k n ASN 503 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u2k h ALA 504 N 3.92 1.47 -0.02 5.41 0.00 -1.50 0.33 119.26 128.86 1u2k h ALA 504 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u2k h ALA 504 Cb 0.43 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1u2k h ALA 504 CO 0.00 0.36 -0.00 0.00 0.00 0.00 0.00 179.25 179.61 1u2k h ALA 505 N 1.49 0.03 -0.29 0.00 0.00 -1.79 -2.92 119.26 115.78 1u2k h ALA 505 Ca 0.44 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.23 1u2k h ALA 505 Cb 0.27 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1u2k h ALA 505 CO -0.19 -0.29 -0.06 0.00 0.00 0.00 0.00 179.25 178.72 1u2k h ALA 506 N 0.66 0.21 0.00 0.00 0.00 -1.70 -1.67 119.26 116.75 1u2k h ALA 506 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1u2k h ALA 506 Cb 0.36 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1u2k h ALA 506 CO 0.00 -0.45 0.00 0.28 0.00 0.00 0.00 179.25 179.08 1u2k n VAL 507 N -5.23 0.56 0.06 0.00 0.31 0.11 -2.14 118.33 112.01 1u2k n VAL 507 Ca -0.00 0.14 -0.04 0.00 -0.01 0.00 0.00 64.34 64.43 1u2k n VAL 507 Cb 0.16 -0.98 -0.08 0.00 -0.91 0.00 0.00 33.84 32.04 1u2k n VAL 507 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1u2k h ARG 508 N 0.00 0.00 0.00 5.55 3.08 -1.14 -3.22 114.38 118.64 1u2k h ARG 508 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1u2k h ARG 508 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1u2k h ARG 508 CO 0.00 0.66 -0.29 0.00 -1.07 0.00 0.00 179.97 179.27 1u2k h ALA 509 N 1.20 0.95 -0.26 0.04 0.00 -1.53 -3.39 119.26 116.28 1u2k h ALA 509 Ca -0.08 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.62 1u2k h ALA 509 Cb 1.68 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.36 1u2k h ALA 509 CO 0.09 0.36 -0.13 -0.07 0.00 0.00 0.00 179.25 179.51 1u2k h LEU 510 N 0.00 -0.43 -1.79 0.00 3.38 -1.57 -0.75 115.31 114.14 1u2k h LEU 510 Ca -0.00 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1u2k h LEU 510 Cb 0.91 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1u2k h LEU 510 CO 0.04 -0.16 0.16 1.55 0.09 0.00 0.00 178.44 180.12 1u2k h PRO 511 N -0.09 0.27 -0.22 1.13 0.13 -1.78 0.98 132.00 132.42 1u2k h PRO 511 Ca 0.14 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.22 1u2k h PRO 511 Cb 0.30 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 1u2k h PRO 511 CO -0.32 0.18 0.01 0.28 -0.23 0.00 0.00 178.00 177.92 1u2k h VAL 512 N 0.28 1.25 -0.34 1.56 2.07 -1.41 -1.23 116.25 118.43 1u2k h VAL 512 Ca 0.10 -0.85 -0.10 0.00 0.82 0.00 0.00 66.70 66.66 1u2k h VAL 512 Cb 0.04 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1u2k h VAL 512 CO -0.02 0.26 -0.21 -0.07 0.02 0.00 0.00 177.57 177.55 1u2k h LEU 513 N 0.15 0.65 -0.69 2.57 3.38 -0.81 -1.85 115.31 118.71 1u2k h LEU 513 Ca 0.06 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1u2k h LEU 513 Cb 0.38 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1u2k h LEU 513 CO 0.01 0.85 0.27 -0.33 0.09 0.00 0.00 178.44 179.33 1u2k h GLU 514 N 0.57 1.04 -0.61 1.13 5.08 0.12 -1.40 114.58 120.51 1u2k h GLU 514 Ca 0.09 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 1u2k h GLU 514 Cb 0.67 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1u2k h GLU 514 CO 0.05 0.87 0.14 -0.22 -1.00 0.00 0.00 179.01 178.84 1u2k h LYS 515 N 0.99 0.96 -0.63 2.33 3.64 -1.02 -1.88 116.57 120.95 1u2k h LYS 515 Ca 0.23 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1u2k h LYS 515 Cb 0.22 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1u2k h LYS 515 CO -0.02 0.86 0.27 0.82 -2.27 0.00 0.00 179.45 179.11 1u2k h ILE 516 N 0.91 1.23 -0.15 2.00 2.04 -1.07 -1.01 117.51 121.45 1u2k h ILE 516 Ca 0.19 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1u2k h ILE 516 Cb 0.34 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1u2k h ILE 516 CO 0.00 0.28 -0.01 -0.61 0.00 0.00 0.00 178.15 177.81 1u2k h GLN 517 N 0.89 0.28 -0.63 2.37 -0.00 -1.01 -2.37 115.11 114.64 1u2k h GLN 517 Ca 0.21 -0.09 -0.04 0.00 -0.00 0.00 0.00 58.65 58.73 1u2k h GLN 517 Cb 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 27.61 1u2k h GLN 517 CO -0.02 0.51 0.22 0.87 0.00 0.00 0.00 178.83 180.41 1u2k h LYS 518 N 0.01 0.94 0.00 1.69 1.57 -1.31 0.65 116.57 120.11 1u2k h LYS 518 Ca 0.04 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1u2k h LYS 518 Cb 0.39 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1u2k h LYS 518 CO 0.01 0.79 -0.12 0.93 -0.57 0.00 0.00 179.45 180.49 1u2k h GLU 519 N 0.91 0.00 0.00 3.15 5.08 -0.87 -3.34 114.58 119.51 1u2k h GLU 519 Ca 0.21 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.40 1u2k h GLU 519 Cb 0.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1u2k h GLU 519 CO -0.01 0.12 -1.65 -1.13 -1.00 0.00 0.00 179.01 175.34 1u2k n SER 520 N -3.60 2.92 -1.73 1.42 3.41 -0.92 -5.00 113.62 110.12 1u2k n SER 520 Ca -0.02 -0.03 -0.09 0.00 -0.26 0.00 0.00 58.87 58.47 1u2k n SER 520 Cb 0.25 0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 1u2k n SER 520 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u2k n GLY 521 N 2.69 0.33 0.02 5.00 0.00 0.18 -4.81 105.19 108.60 1u2k n GLY 521 Ca -0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.95 1u2k n GLY 521 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u2k n LYS 522 N -2.05 0.14 -3.80 1.61 4.76 -1.26 -5.00 118.16 112.57 1u2k n LYS 522 Ca -0.10 -0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.24 1u2k n LYS 522 Cb 0.41 -1.54 -0.07 0.00 -1.84 0.00 0.00 35.03 31.99 1u2k n LYS 522 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u2k s ALA 523 N -3.10 -0.45 0.59 7.82 0.00 -1.26 -3.54 121.76 121.82 1u2k s ALA 523 Ca 0.06 -0.37 -0.12 0.00 0.00 0.00 0.00 51.96 51.53 1u2k s ALA 523 Cb 0.16 0.48 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 1u2k s ALA 523 CO 0.79 -0.51 1.00 -1.54 0.00 0.00 0.00 175.76 175.51 1u2k s SER 524 N -2.64 6.32 0.32 0.00 1.04 -1.26 -4.89 113.70 112.58 1u2k s SER 524 Ca 0.02 1.42 0.02 0.00 0.48 0.00 0.00 55.95 57.89 1u2k s SER 524 Cb 0.03 -2.46 0.55 0.00 0.10 0.00 0.00 66.02 64.24 1u2k s SER 524 CO -0.09 -0.79 1.91 0.25 0.98 0.00 0.00 173.24 175.49 1u2k h LEU 525 N -0.01 0.66 -0.38 2.42 5.85 -1.93 -1.66 115.31 120.26 1u2k h LEU 525 Ca -0.45 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.22 1u2k h LEU 525 Cb 1.19 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 1u2k h LEU 525 CO 0.62 0.61 0.17 0.00 -0.34 0.00 0.00 178.44 179.50 1u2k h ALA 526 N 1.49 0.47 -0.45 1.25 0.00 -1.88 0.32 119.26 120.44 1u2k h ALA 526 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1u2k h ALA 526 Cb 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1u2k h ALA 526 CO -0.01 -0.20 0.29 -0.44 0.00 0.00 0.00 179.25 178.89 1u2k h ASP 527 N 0.36 0.53 0.10 0.00 5.19 -1.72 -2.75 116.42 118.13 1u2k h ASP 527 Ca 0.17 -0.03 -0.11 0.00 -0.62 0.00 0.00 57.03 56.44 1u2k h ASP 527 Cb 0.10 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 1u2k h ASP 527 CO -0.13 0.40 -0.37 0.40 -3.12 0.00 0.00 179.24 176.41 1u2k h ILE 528 N 0.61 1.30 -0.28 0.35 2.04 -0.74 0.00 117.51 120.79 1u2k h ILE 528 Ca 0.16 -1.47 0.01 0.00 1.00 0.00 0.00 64.86 64.56 1u2k h ILE 528 Cb -0.05 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1u2k h ILE 528 CO -0.03 0.45 0.17 0.40 0.00 0.00 0.00 178.15 179.14 1u2k h ILE 529 N 0.32 1.05 -0.45 -0.67 2.04 -0.28 0.29 117.51 119.80 1u2k h ILE 529 Ca 0.03 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 1u2k h ILE 529 Cb 0.80 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1u2k h ILE 529 CO 0.06 0.06 0.04 0.58 0.00 0.00 0.00 178.15 178.90 1u2k h VAL 530 N 0.35 1.25 -0.70 1.67 2.07 -1.16 -1.56 116.25 118.18 1u2k h VAL 530 Ca 0.10 -0.97 0.11 0.00 0.82 0.00 0.00 66.70 66.77 1u2k h VAL 530 Cb -0.02 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1u2k h VAL 530 CO -0.04 0.34 0.47 0.25 0.02 0.00 0.00 177.57 178.61 1u2k h LEU 531 N 0.62 0.46 -0.85 2.57 6.46 -0.89 -1.16 115.31 122.52 1u2k h LEU 531 Ca 0.13 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 1u2k h LEU 531 Cb 0.44 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.25 1u2k h LEU 531 CO 0.02 0.26 0.40 0.00 -0.62 0.00 0.00 178.44 178.50 1u2k h ALA 532 N 1.65 1.09 -0.88 1.25 0.00 0.07 -1.51 119.26 120.95 1u2k h ALA 532 Ca 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1u2k h ALA 532 Cb 0.61 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1u2k h ALA 532 CO -0.11 0.66 0.56 0.78 0.00 0.00 0.00 179.25 181.15 1u2k h GLY 533 N 1.21 1.25 0.82 0.00 0.00 -0.83 0.53 103.07 106.05 1u2k h GLY 533 Ca 0.29 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1u2k h GLY 533 CO -0.04 0.47 0.03 -2.08 0.00 0.00 0.00 176.54 174.93 1u2k h VAL 534 N 1.20 1.19 -0.75 4.60 2.07 -0.96 -1.19 116.25 122.41 1u2k h VAL 534 Ca 0.32 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1u2k h VAL 534 Cb -0.11 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1u2k h VAL 534 CO -0.07 0.17 0.47 0.58 0.02 0.00 0.00 177.57 178.75 1u2k h VAL 535 N -0.03 1.20 -0.18 2.57 2.07 -1.00 0.78 116.25 121.66 1u2k h VAL 535 Ca 0.03 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1u2k h VAL 535 Cb 0.25 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1u2k h VAL 535 CO 0.00 0.20 -0.03 1.23 0.02 0.00 0.00 177.57 179.00 1u2k h GLY 536 N 1.02 0.36 1.09 2.17 0.00 -0.77 0.15 103.07 107.09 1u2k h GLY 536 Ca 0.27 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 1u2k h GLY 536 CO -0.05 0.26 0.31 -2.08 0.00 0.00 0.00 176.54 174.97 1u2k h VAL 537 N 0.06 1.26 -0.70 4.60 2.07 -1.09 -1.08 116.25 121.35 1u2k h VAL 537 Ca 0.05 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 1u2k h VAL 537 Cb 0.44 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1u2k h VAL 537 CO 0.01 0.33 0.19 -0.33 0.02 0.00 0.00 177.57 177.79 1u2k h GLU 538 N 1.12 1.11 -0.68 1.57 5.08 -0.55 -1.43 114.58 120.81 1u2k h GLU 538 Ca 0.26 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1u2k h GLU 538 Cb 0.21 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1u2k h GLU 538 CO -0.02 0.97 0.33 0.87 -1.00 0.00 0.00 179.01 180.16 1u2k h LYS 539 N 1.06 0.97 -0.72 2.33 1.57 -0.51 -0.46 116.57 120.81 1u2k h LYS 539 Ca 0.22 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1u2k h LYS 539 Cb 0.34 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1u2k h LYS 539 CO -0.00 0.77 0.24 0.00 -0.57 0.00 0.00 179.45 179.89 1u2k h ALA 540 N 1.16 0.93 -0.10 3.86 0.00 -0.82 -1.20 119.26 123.09 1u2k h ALA 540 Ca 0.23 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 1u2k h ALA 540 Cb 0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1u2k h ALA 540 CO -0.03 0.60 -0.70 0.00 0.00 0.00 0.00 179.25 179.12 1u2k h ALA 541 N 1.12 0.61 -0.00 0.00 0.00 -1.05 -2.05 119.26 117.88 1u2k h ALA 541 Ca 0.23 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1u2k h ALA 541 Cb 0.28 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1u2k h ALA 541 CO -0.01 0.74 0.00 0.77 0.00 0.00 0.00 179.25 180.75 1u2k h SER 542 N 0.31 0.00 -0.36 0.00 0.02 -0.65 0.18 113.55 113.04 1u2k h SER 542 Ca -0.02 -0.04 0.10 0.00 -0.84 0.00 0.00 61.79 60.99 1u2k h SER 542 Cb 1.26 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 1u2k h SER 542 CO 0.12 0.05 0.34 0.00 -1.14 0.00 0.00 176.83 176.19 1u2k h ALA 543 N 0.96 2.12 -0.07 3.77 0.00 -1.07 1.04 119.26 126.02 1u2k h ALA 543 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1u2k h ALA 543 Cb 0.04 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1u2k h ALA 543 CO -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 179.25 178.73 1u2k n ALA 544 N -2.43 2.57 -0.07 0.00 0.00 0.56 -4.93 120.51 116.22 1u2k n ALA 544 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1u2k n ALA 544 Cb 0.51 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1u2k n ALA 544 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u2k n GLY 545 N 1.08 0.52 3.36 0.00 0.00 0.36 -5.05 105.19 105.45 1u2k n GLY 545 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1u2k n GLY 545 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u2k s LEU 546 N 0.00 2.65 -1.18 0.99 1.43 -0.79 -4.98 118.68 116.80 1u2k s LEU 546 Ca 0.00 -0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 1u2k s LEU 546 Cb 0.00 -1.59 0.22 0.00 0.03 0.00 0.00 46.19 44.85 1u2k s LEU 546 CO 0.00 0.17 1.31 -1.20 0.23 0.00 0.00 176.35 176.86 1u2k n SER 547 N 3.50 5.35 -4.77 2.29 7.64 -1.26 -2.37 113.62 124.00 1u2k n SER 547 Ca -0.18 -3.01 -0.40 0.00 1.01 0.00 0.00 58.87 56.30 1u2k n SER 547 Cb 0.53 -1.49 -0.06 0.00 -1.01 0.00 0.00 64.21 62.18 1u2k n SER 547 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1u2k s ILE 548 N 0.38 4.47 -0.11 0.44 1.10 -1.26 -5.06 121.20 121.16 1u2k s ILE 548 Ca 0.38 1.68 -0.27 0.00 -0.51 0.00 0.00 60.65 61.93 1u2k s ILE 548 Cb -0.06 -4.13 -0.02 0.00 0.15 0.00 0.00 42.46 38.40 1u2k s ILE 548 CO -0.03 0.48 0.91 -2.28 -2.11 0.00 0.00 174.94 171.91 1u2k s HIS 549 N -0.85 3.51 -0.43 3.50 5.65 -1.26 -4.87 115.29 120.54 1u2k s HIS 549 Ca 0.36 1.46 -0.14 0.00 0.25 0.00 0.00 55.06 57.00 1u2k s HIS 549 Cb -0.22 -3.08 0.05 0.00 -1.18 0.00 0.00 32.58 28.15 1u2k s HIS 549 CO 0.25 -0.16 0.32 0.08 -0.65 0.00 0.00 174.74 174.59 1u2k s VAL 550 N 1.76 5.02 0.29 0.89 1.01 -1.26 -5.06 120.40 123.04 1u2k s VAL 550 Ca 0.44 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 61.18 1u2k s VAL 550 Cb -0.18 -3.92 -0.14 0.00 0.00 0.00 0.00 36.38 32.14 1u2k s VAL 550 CO 0.18 -0.44 0.89 -2.65 0.00 0.00 0.00 175.10 173.08 1u2k n PRO 551 N 5.12 1.07 -3.92 2.72 -0.02 -1.26 -5.00 135.00 133.71 1u2k n PRO 551 Ca -0.12 0.37 -0.25 0.00 -2.02 0.00 0.00 63.50 61.49 1u2k n PRO 551 Cb 0.45 -1.68 -0.17 0.00 -0.02 0.00 0.00 33.50 32.08 1u2k n PRO 551 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1u2k s PHE 552 N -1.08 1.16 -0.40 6.00 5.36 -1.26 -4.96 117.98 122.79 1u2k s PHE 552 Ca 0.60 -0.50 -0.17 0.00 -0.96 0.00 0.00 56.93 55.90 1u2k s PHE 552 Cb -0.73 -1.04 0.01 0.00 -0.34 0.00 0.00 43.02 40.93 1u2k s PHE 552 CO 0.59 -0.42 0.42 0.00 -1.46 0.00 0.00 175.22 174.35 1u2k s ALA 553 N 1.68 3.44 0.75 11.12 0.00 -1.26 -5.08 121.76 132.41 1u2k s ALA 553 Ca 0.03 -1.45 -0.12 0.00 0.00 0.00 0.00 51.96 50.42 1u2k s ALA 553 Cb -0.13 -3.00 0.04 0.00 0.00 0.00 0.00 23.12 20.04 1u2k s ALA 553 CO -0.06 -1.47 1.12 -2.14 0.00 0.00 0.00 175.76 173.22 1u2k s PRO 554 N 2.09 2.48 0.00 0.00 0.02 -1.26 -4.72 135.00 133.61 1u2k s PRO 554 Ca 0.12 0.37 0.00 0.00 0.02 0.00 0.00 61.00 61.50 1u2k s PRO 554 Cb -0.17 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.36 1u2k s PRO 554 CO 0.13 -1.29 0.00 0.41 -0.33 0.00 0.00 177.00 175.92 1u2k n GLY 555 N -3.00 1.01 3.86 0.52 0.00 -1.26 -5.14 105.19 101.18 1u2k n GLY 555 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1u2k n GLY 555 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u2k s ARG 556 N 0.00 3.81 0.37 1.61 0.52 -1.26 -5.08 118.95 118.92 1u2k s ARG 556 Ca 0.00 0.81 0.06 0.00 -0.52 0.00 0.00 55.73 56.08 1u2k s ARG 556 Cb 0.00 -2.16 -0.07 0.00 0.52 0.00 0.00 34.95 33.24 1u2k s ARG 556 CO 0.00 -0.32 0.02 0.14 0.02 0.00 0.00 175.30 175.15 1u2k s VAL 557 N -2.75 1.72 -0.14 3.52 -7.23 -1.26 -4.52 120.40 109.74 1u2k s VAL 557 Ca 0.56 -2.02 -0.07 0.00 -1.81 0.00 0.00 61.98 58.65 1u2k s VAL 557 Cb -0.10 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 1u2k s VAL 557 CO 0.38 -0.03 0.11 -1.81 -0.31 0.00 0.00 175.10 173.45 1u2k s ASP 558 N -3.61 6.15 0.42 4.85 1.01 -1.26 -0.54 116.67 123.69 1u2k s ASP 558 Ca 0.35 0.35 -0.20 0.00 0.71 0.00 0.00 52.55 53.77 1u2k s ASP 558 Cb 0.09 -1.99 -0.10 0.00 1.01 0.00 0.00 42.92 41.92 1u2k s ASP 558 CO 0.17 0.34 0.92 0.00 0.21 0.00 0.00 175.17 176.81 1u2k s ALA 559 N -0.62 3.09 0.30 5.23 0.00 -0.13 -4.91 121.76 124.72 1u2k s ALA 559 Ca 0.12 0.32 -0.05 0.00 0.00 0.00 0.00 51.96 52.36 1u2k s ALA 559 Cb -0.12 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 1u2k s ALA 559 CO 0.02 0.13 0.57 1.03 0.00 0.00 0.00 175.76 177.51 1u2k s ARG 560 N -3.24 3.62 0.48 0.00 0.52 -1.26 -4.95 118.95 114.12 1u2k s ARG 560 Ca 0.60 -0.01 0.14 0.00 -0.52 0.00 0.00 55.73 55.95 1u2k s ARG 560 Cb -0.09 -2.63 1.12 0.00 0.52 0.00 0.00 34.95 33.87 1u2k s ARG 560 CO 0.15 0.18 2.09 0.37 0.02 0.00 0.00 175.30 178.12 1u2k h GLN 561 N 1.53 0.11 -1.38 3.54 5.75 -1.98 -0.86 115.11 121.82 1u2k h GLN 561 Ca -0.48 -0.01 -0.47 0.00 -0.15 0.00 0.00 58.65 57.54 1u2k h GLN 561 Cb 1.19 -0.02 -0.20 0.00 1.07 0.00 0.00 27.48 29.52 1u2k h GLN 561 CO 0.65 0.12 0.60 -0.25 -2.65 0.00 0.00 178.83 177.30 1u2k n ASP 562 N -4.48 6.94 -0.24 -0.69 9.92 -1.26 -1.96 116.55 124.78 1u2k n ASP 562 Ca -0.02 -3.35 0.00 0.00 -0.53 0.00 0.00 54.79 50.89 1u2k n ASP 562 Cb 0.12 -1.04 0.00 0.00 -0.64 0.00 0.00 41.12 39.56 1u2k n ASP 562 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1u2k n GLN 563 N -0.09 0.00 -3.58 -1.24 6.02 -0.33 -5.04 117.38 113.12 1u2k n GLN 563 Ca 0.43 -0.62 -0.29 0.00 -0.01 0.00 0.00 57.00 56.52 1u2k n GLN 563 Cb 0.59 -0.41 -0.12 0.00 1.02 0.00 0.00 30.24 31.32 1u2k n GLN 563 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1u2k s THR 564 N 0.00 0.84 -0.09 5.09 2.01 -0.83 -4.88 115.64 117.78 1u2k s THR 564 Ca 0.00 -2.35 -0.29 0.00 0.31 0.00 0.00 61.69 59.36 1u2k s THR 564 Cb 0.00 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.87 1u2k s THR 564 CO 0.00 -0.99 1.66 -0.62 -0.69 0.00 0.00 174.62 173.97 1u2k s ASP 565 N 0.48 6.59 0.12 3.53 2.15 -1.26 -4.86 116.67 123.42 1u2k s ASP 565 Ca 0.21 2.11 -0.15 0.00 0.43 0.00 0.00 52.55 55.15 1u2k s ASP 565 Cb -0.18 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 39.88 1u2k s ASP 565 CO -0.04 -1.01 1.57 0.40 -0.17 0.00 0.00 175.17 175.93 1u2k h ILE 566 N 5.71 1.26 -0.05 4.11 1.08 -1.91 -2.55 117.51 125.16 1u2k h ILE 566 Ca -0.38 -0.98 0.03 0.00 -0.39 0.00 0.00 64.86 63.14 1u2k h ILE 566 Cb 1.17 1.12 -0.03 0.00 -3.07 0.00 0.00 36.82 36.01 1u2k h ILE 566 CO 0.96 0.33 -0.12 -0.33 -0.69 0.00 0.00 178.15 178.31 1u2k h GLU 567 N 0.51 -0.17 -0.53 2.37 5.08 -1.98 -2.36 114.58 117.51 1u2k h GLU 567 Ca 0.11 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1u2k h GLU 567 Cb 0.45 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1u2k h GLU 567 CO 0.02 -0.11 0.35 0.52 -1.00 0.00 0.00 179.01 178.79 1u2k h MET 568 N -0.17 0.58 0.00 2.33 2.86 -1.93 -2.92 114.93 115.68 1u2k h MET 568 Ca 0.06 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1u2k h MET 568 Cb 0.26 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1u2k h MET 568 CO -0.15 0.38 -0.22 0.74 1.06 0.00 0.00 176.91 178.72 1u2k h PHE 569 N 0.59 0.00 0.00 -0.22 0.04 -1.08 -3.23 116.94 113.04 1u2k h PHE 569 Ca 0.21 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.97 1u2k h PHE 569 Cb 0.12 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 1u2k h PHE 569 CO -0.00 0.18 -0.07 0.93 -0.60 0.00 0.00 178.31 178.75 1u2k h GLU 570 N 0.00 0.00 0.00 1.51 4.39 -1.23 -2.26 114.58 116.99 1u2k h GLU 570 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1u2k h GLU 570 Cb 1.14 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1u2k h GLU 570 CO 0.02 0.07 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.84 1u2k h LEU 571 N 0.00 0.00 -0.19 1.33 3.38 -1.66 -1.96 115.31 116.21 1u2k h LEU 571 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1u2k h LEU 571 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1u2k h LEU 571 CO 0.01 0.03 -0.55 0.18 0.09 0.00 0.00 178.44 178.20 1u2k n LEU 572 N -3.90 0.84 -4.67 1.67 4.77 -0.85 -4.85 117.00 110.00 1u2k n LEU 572 Ca -0.03 -0.22 -0.52 0.00 -0.03 0.00 0.00 56.01 55.21 1u2k n LEU 572 Cb 0.11 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1u2k n LEU 572 CO 0.29 0.19 1.28 1.21 -1.33 0.00 0.00 177.39 179.02 1u2k n GLU 573 N -1.20 1.62 -2.36 3.23 2.13 -0.74 -4.86 120.64 118.46 1u2k n GLU 573 Ca 0.07 0.59 -0.41 0.00 0.66 0.00 0.00 57.16 58.07 1u2k n GLU 573 Cb 0.35 -2.33 -0.03 0.00 0.27 0.00 0.00 31.44 29.69 1u2k n GLU 573 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1u2k s PRO 574 N 2.75 4.45 0.46 5.31 0.04 -1.26 -4.92 135.00 141.84 1u2k s PRO 574 Ca 0.91 1.87 0.24 0.00 0.04 0.00 0.00 61.00 64.07 1u2k s PRO 574 Cb -0.87 -3.27 1.08 0.00 0.04 0.00 0.00 34.50 31.48 1u2k s PRO 574 CO 0.54 -0.17 1.90 0.82 0.04 0.00 0.00 177.00 180.13 1u2k h ILE 575 N 4.01 0.62 -1.89 0.56 1.08 -1.92 -3.46 117.51 116.51 1u2k h ILE 575 Ca -0.43 -0.97 -0.02 0.00 -0.39 0.00 0.00 64.86 63.05 1u2k h ILE 575 Cb 1.21 1.63 -0.21 0.00 -3.07 0.00 0.00 36.82 36.38 1u2k h ILE 575 CO 0.78 0.21 0.25 0.00 -0.69 0.00 0.00 178.15 178.69 1u2k s ALA 576 N -3.86 -1.82 -0.35 1.87 0.00 -1.26 0.18 121.76 116.52 1u2k s ALA 576 Ca -0.01 1.72 -0.01 0.00 0.00 0.00 0.00 51.96 53.67 1u2k s ALA 576 Cb 0.11 -0.77 0.12 0.00 0.00 0.00 0.00 23.12 22.58 1u2k s ALA 576 CO 0.63 -0.33 0.18 0.34 0.00 0.00 0.00 175.76 176.58 1u2k s ASP 577 N -0.33 3.38 0.24 0.00 2.15 -0.36 -4.96 116.67 116.79 1u2k s ASP 577 Ca -0.03 -1.97 0.24 0.00 0.43 0.00 0.00 52.55 51.22 1u2k s ASP 577 Cb -0.03 -0.57 0.94 0.00 -0.30 0.00 0.00 42.92 42.96 1u2k s ASP 577 CO 0.03 -0.35 1.73 0.61 -0.17 0.00 0.00 175.17 177.02 1u2k n GLY 578 N 4.36 -1.40 0.26 2.66 0.00 -1.26 -0.71 105.19 109.09 1u2k n GLY 578 Ca 0.05 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.23 1u2k n GLY 578 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1u2k h PHE 579 N 0.00 0.00 -0.09 1.61 0.04 -1.94 -2.86 116.94 113.69 1u2k h PHE 579 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1u2k h PHE 579 Cb 0.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.62 1u2k h PHE 579 CO 0.00 0.09 0.00 0.54 -0.60 0.00 0.00 178.31 178.34 1u2k n ARG 580 N -4.04 2.47 -3.63 1.51 1.74 0.11 -4.72 116.66 110.10 1u2k n ARG 580 Ca -0.02 -2.08 -0.25 0.00 -0.77 0.00 0.00 57.85 54.72 1u2k n ARG 580 Cb 0.18 -1.30 0.07 0.00 -1.02 0.00 0.00 32.46 30.38 1u2k n ARG 580 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1u2k n ASN 581 N -0.60 -6.12 -4.72 0.55 2.85 -0.28 -0.88 115.26 106.07 1u2k n ASN 581 Ca 0.09 -0.57 -0.35 0.00 -0.11 0.00 0.00 54.58 53.64 1u2k n ASN 581 Cb 0.48 -4.82 -0.09 0.00 1.24 0.00 0.00 39.78 36.58 1u2k n ASN 581 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1u2k s TYR 582 N -3.31 3.24 -0.25 1.20 5.04 0.11 -4.78 117.35 118.61 1u2k s TYR 582 Ca 0.59 0.24 -0.02 0.00 -2.44 0.00 0.00 57.07 55.45 1u2k s TYR 582 Cb -0.27 -1.83 0.14 0.00 0.35 0.00 0.00 41.96 40.35 1u2k s TYR 582 CO 0.73 0.50 0.37 0.50 -1.34 0.00 0.00 175.55 176.31 1u2k s ARG 583 N -0.85 0.35 0.33 4.97 6.06 -1.26 -1.22 118.95 127.33 1u2k s ARG 583 Ca 0.13 0.40 -0.06 0.00 -2.50 0.00 0.00 55.73 53.69 1u2k s ARG 583 Cb -0.12 -0.49 -0.05 0.00 0.06 0.00 0.00 34.95 34.35 1u2k s ARG 583 CO 0.03 -0.74 0.62 0.00 -2.50 0.00 0.00 175.30 172.71 1u2k s ALA 584 N 2.52 3.54 -0.78 6.12 0.00 0.13 -4.81 121.76 128.48 1u2k s ALA 584 Ca 0.12 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 1u2k s ALA 584 Cb -0.15 -2.42 -0.00 0.00 0.00 0.00 0.00 23.12 20.54 1u2k s ALA 584 CO -0.19 0.15 0.71 2.89 0.00 0.00 0.00 175.76 179.31 1u2k n ARG 585 N -1.10 -1.40 -1.67 0.00 1.85 -1.26 -4.79 116.66 108.29 1u2k n ARG 585 Ca -0.00 1.36 -0.47 0.00 -1.00 0.00 0.00 57.85 57.74 1u2k n ARG 585 Cb 0.54 -5.40 -0.04 0.00 -1.05 0.00 0.00 32.46 26.51 1u2k n ARG 585 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1u2k n LEU 586 N -2.00 3.26 0.00 2.89 7.99 -1.26 -4.79 117.00 123.09 1u2k n LEU 586 Ca -0.04 1.03 0.00 0.00 -0.01 0.00 0.00 56.01 56.99 1u2k n LEU 586 Cb 0.53 -1.40 0.00 0.00 -0.11 0.00 0.00 43.42 42.44 1u2k n LEU 586 CO 0.55 -0.18 0.00 -0.67 -1.51 0.00 0.00 177.39 175.58 1u2k n ASP 587 N 4.92 0.72 0.19 -1.43 2.03 -1.26 -5.02 116.55 116.70 1u2k n ASP 587 Ca 0.20 -0.65 0.08 0.00 0.52 0.00 0.00 54.79 54.94 1u2k n ASP 587 Cb 0.29 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 40.84 1u2k n ASP 587 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1u2k h VAL 588 N 0.65 0.37 -3.17 5.18 2.07 -2.02 -3.47 116.25 115.85 1u2k h VAL 588 Ca 0.00 -1.46 -0.55 0.00 0.82 0.00 0.00 66.70 65.51 1u2k h VAL 588 Cb 0.00 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1u2k h VAL 588 CO 0.00 0.20 -0.23 -0.55 0.02 0.00 0.00 177.57 177.02 1u2k s SER 589 N -6.28 6.48 0.04 0.57 0.15 -1.26 -5.06 113.70 108.34 1u2k s SER 589 Ca 0.05 0.66 -0.24 0.00 0.70 0.00 0.00 55.95 57.12 1u2k s SER 589 Cb 0.06 -2.12 -0.06 0.00 -1.71 0.00 0.00 66.02 62.20 1u2k s SER 589 CO 0.69 -0.06 0.75 -0.89 1.20 0.00 0.00 173.24 174.92 1u2k s THR 590 N -1.86 4.74 0.24 6.45 2.01 -1.26 -4.96 115.64 121.00 1u2k s THR 590 Ca 0.43 1.59 -0.06 0.00 0.31 0.00 0.00 61.69 63.96 1u2k s THR 590 Cb -0.11 -4.09 0.22 0.00 0.01 0.00 0.00 72.50 68.52 1u2k s THR 590 CO 0.26 0.38 1.69 0.74 -0.69 0.00 0.00 174.62 177.00 1u2k h THR 591 N 4.09 0.55 -0.62 -0.82 2.02 -1.98 0.83 112.91 116.97 1u2k h THR 591 Ca -0.44 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 1u2k h THR 591 Cb 1.20 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 1u2k h THR 591 CO 0.70 0.05 0.17 1.05 0.37 0.00 0.00 175.52 177.87 1u2k h GLU 592 N 0.28 0.98 -0.23 6.66 9.09 -1.93 -2.26 114.58 127.17 1u2k h GLU 592 Ca 0.40 -0.22 -0.08 0.00 0.05 0.00 0.00 59.36 59.50 1u2k h GLU 592 Cb 0.66 -0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 27.61 1u2k h GLU 592 CO -0.48 0.88 -0.21 0.66 0.05 0.00 0.00 179.01 179.90 1u2k h SER 593 N 0.89 0.42 0.53 3.06 4.64 -1.39 -2.71 113.55 118.99 1u2k h SER 593 Ca 0.20 -0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 61.28 1u2k h SER 593 Cb 0.32 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1u2k h SER 593 CO -0.00 0.64 -0.52 -0.07 -0.87 0.00 0.00 176.83 176.01 1u2k h LEU 594 N 0.38 0.00 -0.11 5.97 3.38 -0.49 -2.04 115.31 122.39 1u2k h LEU 594 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1u2k h LEU 594 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1u2k h LEU 594 CO 0.04 0.52 -0.04 0.25 0.09 0.00 0.00 178.44 179.30 1u2k h LEU 595 N 0.00 0.23 -0.23 1.67 6.46 -1.24 0.83 115.31 123.03 1u2k h LEU 595 Ca -0.01 -0.39 0.05 0.00 -0.12 0.00 0.00 57.88 57.42 1u2k h LEU 595 Cb 0.93 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.74 1u2k h LEU 595 CO 0.07 0.57 -0.12 0.40 -0.62 0.00 0.00 178.44 178.74 1u2k h ILE 596 N -0.10 0.62 -0.40 4.05 1.08 -1.47 0.33 117.51 121.62 1u2k h ILE 596 Ca 0.03 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.58 1u2k h ILE 596 Cb 0.48 0.62 -0.08 0.00 -3.07 0.00 0.00 36.82 34.77 1u2k h ILE 596 CO 0.01 0.00 -0.16 0.44 -0.69 0.00 0.00 178.15 177.76 1u2k h ASP 597 N -0.10 -0.55 -0.80 1.72 3.32 -1.29 0.35 116.42 119.06 1u2k h ASP 597 Ca 0.13 0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 1u2k h ASP 597 Cb 0.29 0.32 -0.04 0.00 0.22 0.00 0.00 39.33 40.12 1u2k h ASP 597 CO -0.30 -0.19 0.32 0.50 -1.72 0.00 0.00 179.24 177.85 1u2k h LYS 598 N -0.08 1.20 -0.42 3.56 3.64 -0.47 0.13 116.57 124.13 1u2k h LYS 598 Ca 0.20 -0.22 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1u2k h LYS 598 Cb 0.38 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1u2k h LYS 598 CO -0.46 0.97 -0.07 0.00 -2.27 0.00 0.00 179.45 177.62 1u2k h ALA 599 N 1.17 1.09 -0.76 5.00 0.00 0.19 -1.81 119.26 124.13 1u2k h ALA 599 Ca 0.27 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1u2k h ALA 599 Cb 0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1u2k h ALA 599 CO -0.02 0.57 0.29 0.37 0.00 0.00 0.00 179.25 180.46 1u2k h GLN 600 N 0.67 1.15 -0.65 0.00 4.15 -0.52 -0.93 115.11 118.98 1u2k h GLN 600 Ca 0.12 -0.22 0.05 0.00 0.77 0.00 0.00 58.65 59.38 1u2k h GLN 600 Cb 0.51 -0.18 -0.05 0.00 0.21 0.00 0.00 27.48 27.97 1u2k h GLN 600 CO 0.03 0.95 0.36 1.96 -1.93 0.00 0.00 178.83 180.20 1u2k h GLN 601 N 1.11 0.66 0.00 1.69 4.20 -0.36 -1.98 115.11 120.42 1u2k h GLN 601 Ca 0.25 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1u2k h GLN 601 Cb 0.24 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1u2k h GLN 601 CO -0.02 0.43 0.00 1.28 -0.67 0.00 0.00 178.83 179.86 1u2k n LEU 602 N -4.79 0.00 -2.79 1.46 4.77 -0.72 -0.80 117.00 114.14 1u2k n LEU 602 Ca 0.08 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.86 1u2k n LEU 602 Cb 0.16 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1u2k n LEU 602 CO 0.29 0.00 -0.11 0.35 -1.33 0.00 0.00 177.39 176.59 1u2k n THR 603 N -0.82 -1.23 -3.17 -5.08 -2.24 -0.75 -4.92 114.28 96.07 1u2k n THR 603 Ca 0.12 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.56 1u2k n THR 603 Cb 0.06 -2.65 -0.06 0.00 -2.10 0.00 0.00 70.33 65.58 1u2k n THR 603 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1u2k s LEU 604 N -6.23 4.23 0.93 3.22 1.43 -0.40 -5.02 118.68 116.84 1u2k s LEU 604 Ca 0.17 1.29 -0.15 0.00 -1.03 0.00 0.00 54.13 54.41 1u2k s LEU 604 Cb -0.08 -3.73 0.18 0.00 0.03 0.00 0.00 46.19 42.59 1u2k s LEU 604 CO 0.21 -0.05 1.29 -0.89 0.23 0.00 0.00 176.35 177.14 1u2k s THR 605 N -1.70 2.01 0.09 5.49 2.01 -1.26 -4.70 115.64 117.57 1u2k s THR 605 Ca 0.47 -0.03 -0.14 0.00 0.31 0.00 0.00 61.69 62.29 1u2k s THR 605 Cb -0.14 -2.98 -0.15 0.00 0.01 0.00 0.00 72.50 69.24 1u2k s THR 605 CO 0.19 0.00 1.30 0.00 -0.69 0.00 0.00 174.62 175.43 1u2k h ALA 606 N -1.52 0.30 -0.99 7.40 0.00 -1.98 -0.00 119.26 122.47 1u2k h ALA 606 Ca -0.44 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 53.93 1u2k h ALA 606 Cb 1.25 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1u2k h ALA 606 CO 0.41 0.56 0.64 -1.35 0.00 0.00 0.00 179.25 179.52 1u2k h PRO 607 N 0.42 1.31 -0.16 0.00 0.11 -1.94 -1.73 132.00 130.01 1u2k h PRO 607 Ca -0.03 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 65.95 1u2k h PRO 607 Cb 1.25 -0.29 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 1u2k h PRO 607 CO 0.13 0.88 -0.07 0.93 -0.21 0.00 0.00 178.00 179.66 1u2k h GLU 608 N 1.34 0.32 -0.34 1.05 5.08 -1.89 -1.54 114.58 118.60 1u2k h GLU 608 Ca 0.36 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1u2k h GLU 608 Cb -0.13 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1u2k h GLU 608 CO -0.08 0.63 0.21 1.98 -1.00 0.00 0.00 179.01 180.75 1u2k h MET 609 N -0.00 0.45 0.01 2.33 4.05 -0.90 0.66 114.93 121.52 1u2k h MET 609 Ca 0.04 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.35 1u2k h MET 609 Cb 0.53 -0.10 0.01 0.00 -0.80 0.00 0.00 31.60 31.24 1u2k h MET 609 CO 0.02 0.31 -0.31 1.15 0.23 0.00 0.00 176.91 178.32 1u2k h THR 610 N 0.46 1.55 -0.95 -0.77 2.02 -1.27 -1.24 112.91 112.71 1u2k h THR 610 Ca 0.12 -2.03 0.04 0.00 0.77 0.00 0.00 66.41 65.31 1u2k h THR 610 Cb -0.02 2.82 -0.06 0.00 -1.74 0.00 0.00 68.15 69.15 1u2k h THR 610 CO -0.02 0.56 0.62 0.00 0.37 0.00 0.00 175.52 177.04 1u2k h ALA 611 N 0.23 1.27 -0.26 6.16 0.00 -0.99 -2.20 119.26 123.46 1u2k h ALA 611 Ca -0.04 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1u2k h ALA 611 Cb 1.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1u2k h ALA 611 CO 0.06 0.47 -0.21 -0.07 0.00 0.00 0.00 179.25 179.51 1u2k h LEU 612 N 1.18 0.63 -0.45 0.00 3.38 -0.74 -1.91 115.31 117.40 1u2k h LEU 612 Ca 0.38 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1u2k h LEU 612 Cb 0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1u2k h LEU 612 CO -0.13 0.95 0.14 0.58 0.09 0.00 0.00 178.44 180.07 1u2k h VAL 613 N 0.32 1.22 -0.21 1.22 2.07 -1.15 -0.09 116.25 119.64 1u2k h VAL 613 Ca 0.05 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1u2k h VAL 613 Cb 0.75 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1u2k h VAL 613 CO 0.05 0.27 0.09 1.23 0.02 0.00 0.00 177.57 179.24 1u2k h GLY 614 N 0.59 0.33 0.87 2.17 0.00 -1.26 -1.41 103.07 104.36 1u2k h GLY 614 Ca 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1u2k h GLY 614 CO -0.00 0.16 0.06 -1.33 0.00 0.00 0.00 176.54 175.42 1u2k h GLY 615 N 0.20 0.29 1.21 4.60 0.00 -1.34 -3.18 103.07 104.85 1u2k h GLY 615 Ca 0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 1u2k h GLY 615 CO -0.01 0.15 0.26 -0.33 0.00 0.00 0.00 176.54 176.61 1u2k h MET 616 N 0.11 1.01 0.22 4.80 2.86 -0.71 -0.70 114.93 122.53 1u2k h MET 616 Ca 0.06 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1u2k h MET 616 Cb 0.20 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 1u2k h MET 616 CO -0.00 0.83 -0.41 0.00 1.06 0.00 0.00 176.91 178.38 1u2k h ARG 617 N 0.99 -0.69 0.00 1.72 2.47 -1.33 -0.77 114.38 116.77 1u2k h ARG 617 Ca 0.23 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 1u2k h ARG 617 Cb 0.21 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 1u2k h ARG 617 CO -0.02 -0.46 0.00 1.33 0.56 0.00 0.00 179.97 181.38 1u2k n VAL 618 N -5.48 0.78 1.28 2.04 0.24 -1.05 -1.62 118.33 114.52 1u2k n VAL 618 Ca -0.08 0.13 0.14 0.00 -2.04 0.00 0.00 64.34 62.48 1u2k n VAL 618 Cb 0.39 -1.03 0.50 0.00 -1.47 0.00 0.00 33.84 32.23 1u2k n VAL 618 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1u2k n LEU 619 N -2.18 0.58 0.00 1.34 4.77 -0.29 -0.59 117.00 120.62 1u2k n LEU 619 Ca 0.03 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1u2k n LEU 619 Cb 0.27 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1u2k n LEU 619 CO 0.21 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1u2k n GLY 620 N 1.34 1.04 0.21 -0.72 0.00 -0.64 -3.71 105.19 102.71 1u2k n GLY 620 Ca 0.12 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.76 1u2k n GLY 620 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2k n ALA 621 N -0.91 2.61 -1.73 4.61 0.00 -0.32 -4.82 120.51 119.95 1u2k n ALA 621 Ca 0.00 -0.29 -0.42 0.00 0.00 0.00 0.00 53.44 52.73 1u2k n ALA 621 Cb 0.23 -1.29 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 1u2k n ALA 621 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1u2k n ASN 622 N -0.43 3.45 0.30 0.00 3.02 -1.26 -4.65 115.26 115.68 1u2k n ASN 622 Ca 0.18 1.17 0.15 0.00 -0.03 0.00 0.00 54.58 56.05 1u2k n ASN 622 Cb 0.19 -1.54 0.93 0.00 -0.61 0.00 0.00 39.78 38.74 1u2k n ASN 622 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1u2k h PHE 623 N 4.09 0.00 0.00 3.10 -5.15 -1.31 -2.66 116.94 115.01 1u2k h PHE 623 Ca -0.47 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.29 1u2k h PHE 623 Cb 1.25 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.39 1u2k h PHE 623 CO 0.56 0.01 -0.25 -0.40 -2.00 0.00 0.00 178.31 176.23 1u2k n ASP 624 N -3.77 1.56 0.00 -0.68 3.85 -1.26 -4.39 116.55 111.86 1u2k n ASP 624 Ca -0.03 -2.83 0.00 0.00 -0.71 0.00 0.00 54.79 51.22 1u2k n ASP 624 Cb 0.09 -0.37 0.00 0.00 -1.35 0.00 0.00 41.12 39.49 1u2k n ASP 624 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1u2k n GLY 625 N -0.90 0.33 3.57 6.12 0.00 -1.00 -4.97 105.19 108.35 1u2k n GLY 625 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1u2k n GLY 625 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1u2k n SER 626 N -0.35 0.38 -0.01 1.61 2.88 -1.26 -4.90 113.62 111.97 1u2k n SER 626 Ca 0.00 0.85 0.13 0.00 -1.33 0.00 0.00 58.87 58.52 1u2k n SER 626 Cb 0.18 -1.32 0.52 0.00 -0.75 0.00 0.00 64.21 62.84 1u2k n SER 626 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1u2k n LYS 627 N -0.42 0.08 -1.68 -1.46 5.02 -1.26 -4.79 118.16 113.65 1u2k n LYS 627 Ca 0.12 -0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 55.95 1u2k n LYS 627 Cb 0.45 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 1u2k n LYS 627 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1u2k n ASN 628 N -1.44 3.90 0.00 4.39 5.03 -1.26 -0.81 115.26 125.08 1u2k n ASN 628 Ca 0.08 0.99 0.00 0.00 0.87 0.00 0.00 54.58 56.51 1u2k n ASN 628 Cb 0.33 -1.51 0.00 0.00 -1.02 0.00 0.00 39.78 37.57 1u2k n ASN 628 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1u2k n GLY 629 N 4.21 1.78 2.98 7.41 0.00 -0.65 -4.85 105.19 116.07 1u2k n GLY 629 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1u2k n GLY 629 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u2k n VAL 630 N -2.00 4.28 -2.04 1.61 0.31 0.01 -4.73 118.33 115.77 1u2k n VAL 630 Ca 0.00 -4.38 -0.42 0.00 -0.01 0.00 0.00 64.34 59.53 1u2k n VAL 630 Cb 0.00 -2.39 0.00 0.00 -0.91 0.00 0.00 33.84 30.54 1u2k n VAL 630 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1u2k n PHE 631 N 4.39 3.64 -3.55 3.52 3.72 -1.26 -4.86 117.46 123.06 1u2k n PHE 631 Ca 0.40 -2.94 -0.12 0.00 -0.05 0.00 0.00 57.45 54.75 1u2k n PHE 631 Cb 0.38 -2.42 -0.05 0.00 -0.94 0.00 0.00 39.48 36.45 1u2k n PHE 631 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1u2k s THR 632 N 2.64 0.00 -0.97 4.37 -1.32 -1.26 -4.08 115.64 115.02 1u2k s THR 632 Ca 0.46 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 61.12 1u2k s THR 632 Cb 0.11 -1.00 0.72 0.00 -1.51 0.00 0.00 72.50 70.82 1u2k s THR 632 CO -0.04 0.00 1.64 0.47 -2.21 0.00 0.00 174.62 174.47 1u2k n ASP 633 N 0.52 4.84 -3.20 8.08 8.00 -1.26 -4.66 116.55 128.87 1u2k n ASP 633 Ca -0.12 -2.53 -0.23 0.00 0.71 0.00 0.00 54.79 52.63 1u2k n ASP 633 Cb 0.59 -0.59 -0.06 0.00 -0.02 0.00 0.00 41.12 41.05 1u2k n ASP 633 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1u2k n ARG 634 N 0.99 1.29 -1.82 -1.24 1.85 -1.26 -5.10 116.66 111.37 1u2k n ARG 634 Ca 0.26 -3.63 -0.41 0.00 -1.00 0.00 0.00 57.85 53.06 1u2k n ARG 634 Cb 0.93 -1.61 -0.01 0.00 -1.05 0.00 0.00 32.46 30.72 1u2k n ARG 634 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1u2k s VAL 635 N -2.06 2.12 0.00 8.89 1.01 -1.26 -2.52 120.40 126.57 1u2k s VAL 635 Ca 0.39 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1u2k s VAL 635 Cb 0.23 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1u2k s VAL 635 CO -0.09 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1u2k n GLY 636 N 1.15 0.74 3.41 4.51 0.00 0.24 -5.00 105.19 110.23 1u2k n GLY 636 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1u2k n GLY 636 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u2k s VAL 637 N -2.60 3.20 -1.28 1.61 1.01 -1.05 -4.41 120.40 116.89 1u2k s VAL 637 Ca 0.00 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 1u2k s VAL 637 Cb 0.00 -2.34 0.11 0.00 0.00 0.00 0.00 36.38 34.14 1u2k s VAL 637 CO 0.00 0.53 1.66 -0.11 0.00 0.00 0.00 175.10 177.18 1u2k n LEU 638 N 3.35 5.13 -4.91 3.92 7.94 -0.83 -4.64 117.00 126.97 1u2k n LEU 638 Ca -0.18 -4.12 -0.23 0.00 -1.11 0.00 0.00 56.01 50.37 1u2k n LEU 638 Cb 0.53 -1.70 -0.01 0.00 0.53 0.00 0.00 43.42 42.77 1u2k n LEU 638 CO 0.30 0.40 0.07 -0.94 -1.11 0.00 0.00 177.39 176.11 1u2k s SER 639 N 3.65 4.87 -0.26 1.96 1.04 -1.26 -4.81 113.70 118.90 1u2k s SER 639 Ca 0.50 -0.97 0.09 0.00 0.48 0.00 0.00 55.95 56.04 1u2k s SER 639 Cb 0.02 -0.04 0.64 0.00 0.10 0.00 0.00 66.02 66.74 1u2k s SER 639 CO 0.05 -0.93 1.62 -0.46 0.98 0.00 0.00 173.24 174.50 1u2k n ASN 640 N -1.73 4.47 0.07 7.02 6.94 -1.26 -4.64 115.26 126.14 1u2k n ASN 640 Ca 0.03 -2.98 0.12 0.00 -0.02 0.00 0.00 54.58 51.73 1u2k n ASN 640 Cb 0.63 -0.70 0.60 0.00 -2.36 0.00 0.00 39.78 37.94 1u2k n ASN 640 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1u2k h ASP 641 N 2.41 0.14 -0.81 0.53 3.32 -1.92 -1.41 116.42 118.69 1u2k h ASP 641 Ca 0.20 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.31 1u2k h ASP 641 Cb 2.04 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 41.50 1u2k h ASP 641 CO 0.60 0.09 0.49 0.15 -1.72 0.00 0.00 179.24 178.85 1u2k h PHE 642 N 0.16 0.90 0.15 4.55 3.57 -1.82 -1.23 116.94 123.21 1u2k h PHE 642 Ca 0.16 0.03 -0.27 0.00 3.53 0.00 0.00 57.97 61.41 1u2k h PHE 642 Cb 0.44 -0.29 0.01 0.00 2.79 0.00 0.00 35.95 38.90 1u2k h PHE 642 CO -0.00 0.45 -1.32 0.74 -2.23 0.00 0.00 178.31 175.94 1u2k h PHE 643 N 0.89 0.58 -0.03 0.41 0.04 -1.61 -0.27 116.94 116.95 1u2k h PHE 643 Ca 0.36 -0.43 0.03 0.00 2.80 0.00 0.00 57.97 60.73 1u2k h PHE 643 Cb 0.18 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.26 1u2k h PHE 643 CO -0.04 1.51 -0.26 0.28 -0.60 0.00 0.00 178.31 179.20 1u2k h VAL 644 N -0.20 0.40 -0.32 -0.55 2.07 -1.38 -1.33 116.25 114.94 1u2k h VAL 644 Ca -0.26 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.09 1u2k h VAL 644 Cb 1.84 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1u2k h VAL 644 CO 0.13 0.00 -0.46 0.78 0.02 0.00 0.00 177.57 178.04 1u2k h ASN 645 N -0.38 0.92 0.15 0.57 2.35 -1.30 -2.19 115.58 115.70 1u2k h ASN 645 Ca 0.07 -0.45 -0.03 0.00 -0.55 0.00 0.00 56.30 55.34 1u2k h ASN 645 Cb 0.48 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1u2k h ASN 645 CO -0.25 1.23 -0.15 0.25 -1.65 0.00 0.00 177.43 176.86 1u2k h LEU 646 N 0.67 0.01 0.00 1.61 5.85 -0.89 -2.69 115.31 119.87 1u2k h LEU 646 Ca 0.04 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1u2k h LEU 646 Cb 1.04 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1u2k h LEU 646 CO 0.10 0.16 -0.66 0.18 -0.34 0.00 0.00 178.44 177.89 1u2k n LEU 647 N -4.35 0.62 -4.65 2.25 4.77 -0.51 -4.90 117.00 110.23 1u2k n LEU 647 Ca -0.02 0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 1u2k n LEU 647 Cb 0.22 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1u2k n LEU 647 CO 0.36 0.02 1.43 -0.62 -1.33 0.00 0.00 177.39 177.25 1u2k s ASP 648 N -3.81 6.49 0.00 -1.43 3.68 -0.84 -4.85 116.67 115.91 1u2k s ASP 648 Ca 0.07 2.12 0.17 0.00 2.13 0.00 0.00 52.55 57.05 1u2k s ASP 648 Cb 0.15 -2.53 0.95 0.00 -1.45 0.00 0.00 42.92 40.03 1u2k s ASP 648 CO 0.73 -1.09 1.49 0.23 0.13 0.00 0.00 175.17 176.66 1u2k n MET 649 N 7.42 0.37 0.08 4.34 2.81 -1.26 -2.72 117.12 128.16 1u2k n MET 649 Ca 0.19 0.08 0.11 0.00 -1.81 0.00 0.00 57.70 56.26 1u2k n MET 649 Cb 0.43 -1.50 0.44 0.00 -0.71 0.00 0.00 33.22 31.88 1u2k n MET 649 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1u2k n ARG 650 N -1.18 0.14 -4.40 0.03 1.85 -1.26 -4.74 116.66 107.10 1u2k n ARG 650 Ca 0.10 0.34 -0.33 0.00 -1.00 0.00 0.00 57.85 56.95 1u2k n ARG 650 Cb 0.11 -1.74 -0.10 0.00 -1.05 0.00 0.00 32.46 29.68 1u2k n ARG 650 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1u2k s TYR 651 N -3.19 3.03 -0.09 2.89 1.51 -1.10 -1.43 117.35 118.96 1u2k s TYR 651 Ca 0.06 0.07 0.03 0.00 -1.01 0.00 0.00 57.07 56.22 1u2k s TYR 651 Cb 0.10 -1.69 -0.01 0.00 -0.11 0.00 0.00 41.96 40.25 1u2k s TYR 651 CO 0.38 0.42 -0.19 -2.00 -1.11 0.00 0.00 175.55 173.06 1u2k s GLU 652 N -1.24 2.97 -0.14 -0.62 2.12 -0.04 -4.89 118.70 116.87 1u2k s GLU 652 Ca 0.16 -0.78 -0.03 0.00 0.36 0.00 0.00 54.97 54.67 1u2k s GLU 652 Cb -0.11 -2.40 -0.03 0.00 0.26 0.00 0.00 34.13 31.84 1u2k s GLU 652 CO 0.06 0.31 -0.02 -1.58 -0.54 0.00 0.00 175.26 173.49 1u2k s TRP 653 N 0.06 3.07 -0.00 5.30 0.52 -1.26 -1.17 118.94 125.46 1u2k s TRP 653 Ca -0.08 -0.13 0.00 0.00 0.02 0.00 0.00 56.10 55.92 1u2k s TRP 653 Cb -0.15 -1.92 0.00 0.00 -1.15 0.00 0.00 33.47 30.25 1u2k s TRP 653 CO 0.05 0.12 0.00 0.15 0.02 0.00 0.00 176.95 177.29 1u2k s LYS 654 N 0.01 0.01 0.39 4.98 1.02 -0.70 -4.97 119.74 120.48 1u2k s LYS 654 Ca 0.02 0.00 -0.27 0.00 0.02 0.00 0.00 55.97 55.74 1u2k s LYS 654 Cb -0.13 -0.01 -0.10 0.00 -0.52 0.00 0.00 37.83 37.07 1u2k s LYS 654 CO 0.02 -0.00 1.38 0.00 -0.92 0.00 0.00 175.35 175.83 1u2k s ALA 655 N 0.03 3.39 -2.03 5.17 0.00 -1.26 -1.16 121.76 125.90 1u2k s ALA 655 Ca -0.00 1.38 0.32 0.00 0.00 0.00 0.00 51.96 53.65 1u2k s ALA 655 Cb -0.00 -3.54 1.85 0.00 0.00 0.00 0.00 23.12 21.43 1u2k s ALA 655 CO -0.00 -0.93 2.20 0.25 0.00 0.00 0.00 175.76 177.28 1u2k n THR 656 N 0.28 0.00 -2.32 0.00 -2.24 -0.27 -4.86 114.28 104.86 1u2k n THR 656 Ca 0.02 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1u2k n THR 656 Cb 0.42 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1u2k n THR 656 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1u2k n ASP 657 N -0.94 0.00 0.21 3.42 5.68 -1.26 -5.04 116.55 118.62 1u2k n ASP 657 Ca 0.24 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.61 1u2k n ASP 657 Cb 0.12 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.44 1u2k n ASP 657 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1u2k h GLU 658 N 0.00 0.00 -0.00 0.11 3.07 -1.99 -2.56 114.58 113.21 1u2k h GLU 658 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 1u2k h GLU 658 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1u2k h GLU 658 CO 0.00 0.25 -0.35 0.66 -1.40 0.00 0.00 179.01 178.17 1u2k h SER 659 N 0.00 0.00 -2.33 1.42 4.64 -1.98 -3.46 113.55 111.83 1u2k h SER 659 Ca -0.00 -0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.97 1u2k h SER 659 Cb 0.91 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.98 1u2k h SER 659 CO 0.03 0.35 -0.43 0.29 -0.87 0.00 0.00 176.83 176.20 1u2k n LYS 660 N -4.12 -1.36 0.01 4.77 5.02 -0.97 -4.88 118.16 116.63 1u2k n LYS 660 Ca -0.02 0.86 0.11 0.00 -2.02 0.00 0.00 58.31 57.24 1u2k n LYS 660 Cb 0.39 -5.30 -0.08 0.00 -0.02 0.00 0.00 35.03 30.02 1u2k n LYS 660 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1u2k n GLU 661 N -2.64 0.37 -5.00 1.97 -0.58 -1.26 -4.79 120.64 108.71 1u2k n GLU 661 Ca -0.20 -0.06 -0.28 0.00 -0.42 0.00 0.00 57.16 56.19 1u2k n GLU 661 Cb 0.65 -1.56 -0.16 0.00 -0.57 0.00 0.00 31.44 29.79 1u2k n GLU 661 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1u2k s LEU 662 N -4.02 1.97 0.02 -4.62 0.20 -1.26 -3.29 118.68 107.68 1u2k s LEU 662 Ca 0.00 -0.42 0.06 0.00 0.69 0.00 0.00 54.13 54.47 1u2k s LEU 662 Cb 0.14 -1.13 -0.02 0.00 -0.43 0.00 0.00 46.19 44.75 1u2k s LEU 662 CO 0.85 0.18 -0.19 -0.36 -0.29 0.00 0.00 176.35 176.54 1u2k s PHE 663 N -0.00 1.71 -0.09 5.38 0.40 0.46 -1.12 117.98 124.72 1u2k s PHE 663 Ca -0.05 -0.35 -0.02 0.00 -0.60 0.00 0.00 56.93 55.92 1u2k s PHE 663 Cb -0.13 -1.05 -0.03 0.00 0.51 0.00 0.00 43.02 42.32 1u2k s PHE 663 CO 0.03 0.04 -0.01 -1.21 0.70 0.00 0.00 175.22 174.77 1u2k s GLU 664 N -0.88 2.99 -0.22 0.44 2.02 -0.31 -1.56 118.70 121.18 1u2k s GLU 664 Ca 0.07 -0.43 -0.03 0.00 0.02 0.00 0.00 54.97 54.60 1u2k s GLU 664 Cb -0.08 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.37 1u2k s GLU 664 CO 0.01 0.68 -0.05 0.20 0.02 0.00 0.00 175.26 176.11 1u2k s GLY 665 N -0.81 1.60 -0.06 -1.39 0.00 0.51 -1.72 107.32 105.45 1u2k s GLY 665 Ca 0.12 -1.23 -0.02 0.00 0.00 0.00 0.00 44.72 43.59 1u2k s GLY 665 CO 0.02 0.44 0.06 0.50 0.00 0.00 0.00 173.10 174.12 1u2k s ARG 666 N 1.44 3.08 0.07 2.90 0.52 -0.32 -0.76 118.95 125.88 1u2k s ARG 666 Ca 0.05 -0.40 -0.31 0.00 -0.52 0.00 0.00 55.73 54.55 1u2k s ARG 666 Cb -0.15 -2.88 -0.09 0.00 0.52 0.00 0.00 34.95 32.35 1u2k s ARG 666 CO -0.04 0.69 1.78 0.34 0.02 0.00 0.00 175.30 178.09 1u2k s ASP 667 N -1.28 6.51 0.38 0.23 -1.08 -0.88 -0.86 116.67 119.70 1u2k s ASP 667 Ca 0.18 2.60 0.07 0.00 -0.52 0.00 0.00 52.55 54.88 1u2k s ASP 667 Cb -0.12 -2.56 0.76 0.00 -1.46 0.00 0.00 42.92 39.55 1u2k s ASP 667 CO 0.08 -0.97 1.94 0.03 0.52 0.00 0.00 175.17 176.77 1u2k h ARG 668 N 8.95 0.39 0.04 4.34 3.08 -1.60 0.22 114.38 129.79 1u2k h ARG 668 Ca -0.45 -0.07 -0.20 0.00 0.07 0.00 0.00 59.98 59.33 1u2k h ARG 668 Cb 1.21 -0.07 0.02 0.00 0.08 0.00 0.00 29.97 31.21 1u2k h ARG 668 CO 0.94 0.42 -0.82 1.05 -1.07 0.00 0.00 179.97 180.49 1u2k h GLU 669 N 0.39 0.49 0.00 0.04 4.11 -1.91 -3.36 114.58 114.33 1u2k h GLU 669 Ca 0.09 -0.58 -0.14 0.00 0.07 0.00 0.00 59.36 58.80 1u2k h GLU 669 Cb 0.24 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1u2k h GLU 669 CO 0.01 1.21 -1.08 1.79 0.07 0.00 0.00 179.01 181.01 1u2k h THR 670 N 0.02 0.64 0.00 -1.06 1.35 -1.96 -3.47 112.91 108.43 1u2k h THR 670 Ca -0.11 -2.08 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 1u2k h THR 670 Cb 1.53 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 70.12 1u2k h THR 670 CO 0.16 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1u2k n GLY 671 N 1.33 0.89 3.70 5.82 0.00 0.75 -5.00 105.19 112.69 1u2k n GLY 671 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1u2k n GLY 671 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u2k s GLU 672 N -0.06 4.50 0.17 1.61 2.12 -1.26 -4.75 118.70 121.04 1u2k s GLU 672 Ca 0.00 1.32 -0.31 0.00 0.36 0.00 0.00 54.97 56.34 1u2k s GLU 672 Cb 0.00 -3.48 -0.10 0.00 0.26 0.00 0.00 34.13 30.81 1u2k s GLU 672 CO 0.00 -0.10 1.54 0.08 -0.54 0.00 0.00 175.26 176.24 1u2k s VAL 673 N 1.22 2.65 -0.09 3.70 1.01 -1.26 -2.07 120.40 125.56 1u2k s VAL 673 Ca 0.49 0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.95 1u2k s VAL 673 Cb -0.20 -3.31 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 1u2k s VAL 673 CO 0.24 0.04 -0.08 1.17 0.00 0.00 0.00 175.10 176.47 1u2k n LYS 674 N 3.73 0.23 -4.14 2.72 3.00 0.06 -4.96 118.16 118.81 1u2k n LYS 674 Ca 0.13 0.05 -0.09 0.00 -0.00 0.00 0.00 58.31 58.40 1u2k n LYS 674 Cb 0.39 -1.18 -0.10 0.00 0.00 0.00 0.00 35.03 34.14 1u2k n LYS 674 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1u2k s PHE 675 N -2.19 0.75 0.20 5.64 0.08 -1.03 -5.01 117.98 116.43 1u2k s PHE 675 Ca -0.13 -0.99 0.08 0.00 0.12 0.00 0.00 56.93 56.02 1u2k s PHE 675 Cb 0.03 -0.47 -0.05 0.00 -0.57 0.00 0.00 43.02 41.97 1u2k s PHE 675 CO 0.21 -0.25 -0.15 0.95 -0.10 0.00 0.00 175.22 175.89 1u2k s THR 676 N -3.75 1.74 -0.01 0.64 -4.23 -1.26 -0.36 115.64 108.41 1u2k s THR 676 Ca 0.11 -2.18 -0.20 0.00 -1.18 0.00 0.00 61.69 58.23 1u2k s THR 676 Cb 0.06 -2.02 0.04 0.00 1.34 0.00 0.00 72.50 71.92 1u2k s THR 676 CO -0.06 -0.57 0.43 0.00 -0.54 0.00 0.00 174.62 173.88 1u2k s ALA 677 N -2.89 -1.10 0.71 3.99 0.00 -0.60 -1.63 121.76 120.24 1u2k s ALA 677 Ca 0.22 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1u2k s ALA 677 Cb -0.01 0.14 0.13 0.00 0.00 0.00 0.00 23.12 23.37 1u2k s ALA 677 CO 0.07 -0.35 0.98 -1.54 0.00 0.00 0.00 175.76 174.92 1u2k s SER 678 N -1.50 4.39 0.45 0.00 1.04 -1.26 -0.40 113.70 116.42 1u2k s SER 678 Ca -0.10 -0.41 0.12 0.00 0.48 0.00 0.00 55.95 56.04 1u2k s SER 678 Cb -0.03 0.02 1.04 0.00 0.10 0.00 0.00 66.02 67.15 1u2k s SER 678 CO 0.04 -1.83 2.05 0.03 0.98 0.00 0.00 173.24 174.51 1u2k h ARG 679 N -0.48 0.34 0.00 4.02 3.08 -1.86 -2.02 114.38 117.47 1u2k h ARG 679 Ca -0.36 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.60 1u2k h ARG 679 Cb 1.27 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1u2k h ARG 679 CO 0.40 0.23 -0.33 0.00 -1.07 0.00 0.00 179.97 179.20 1u2k h ALA 680 N 1.79 1.15 0.01 0.04 0.00 -1.91 -1.87 119.26 118.47 1u2k h ALA 680 Ca 0.16 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1u2k h ALA 680 Cb 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1u2k h ALA 680 CO -0.04 0.41 -0.19 -0.44 0.00 0.00 0.00 179.25 179.00 1u2k h ASP 681 N 0.00 0.14 0.92 0.00 3.32 -1.84 -3.39 116.42 115.57 1u2k h ASP 681 Ca -0.00 -0.86 0.00 0.00 0.02 0.00 0.00 57.03 56.19 1u2k h ASP 681 Cb 0.73 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1u2k h ASP 681 CO 0.04 0.98 0.00 -0.07 -1.72 0.00 0.00 179.24 178.48 1u2k h LEU 682 N -0.69 0.00 -1.31 1.55 4.07 -0.92 -3.04 115.31 114.97 1u2k h LEU 682 Ca -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1u2k h LEU 682 Cb 1.03 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.74 1u2k h LEU 682 CO 0.04 0.00 0.31 0.58 -1.08 0.00 0.00 178.44 178.28 1u2k h VAL 683 N 0.00 1.18 0.00 1.22 2.07 -1.54 0.22 116.25 119.40 1u2k h VAL 683 Ca 0.00 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1u2k h VAL 683 Cb 0.46 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1u2k h VAL 683 CO 0.00 0.19 0.00 0.49 0.02 0.00 0.00 177.57 178.27 1u2k n PHE 684 N -4.39 0.24 -0.08 1.57 3.72 -1.15 0.60 117.46 117.97 1u2k n PHE 684 Ca 0.05 0.11 -0.09 0.00 -0.05 0.00 0.00 57.45 57.47 1u2k n PHE 684 Cb 0.10 -0.68 -0.11 0.00 -0.94 0.00 0.00 39.48 37.86 1u2k n PHE 684 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1u2k n GLY 685 N -0.78 -0.61 0.00 1.37 0.00 -0.66 -2.94 105.19 101.57 1u2k n GLY 685 Ca 0.01 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.91 1u2k n GLY 685 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1u2k n SER 686 N -2.67 0.80 -4.42 1.61 2.88 -0.02 -4.55 113.62 107.25 1u2k n SER 686 Ca -0.26 -0.61 -0.44 0.00 -1.33 0.00 0.00 58.87 56.23 1u2k n SER 686 Cb 0.95 1.30 -0.06 0.00 -0.75 0.00 0.00 64.21 65.64 1u2k n SER 686 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1u2k s ASN 687 N -3.22 6.20 0.28 -3.46 3.84 0.20 -4.94 114.94 113.84 1u2k s ASN 687 Ca 0.02 -1.10 0.05 0.00 0.21 0.00 0.00 52.86 52.04 1u2k s ASN 687 Cb 0.13 -2.26 0.77 0.00 -0.55 0.00 0.00 41.25 39.34 1u2k s ASN 687 CO 0.76 -0.85 1.39 -1.54 -2.79 0.00 0.00 177.10 174.07 1u2k n SER 688 N 5.91 -0.03 0.09 -4.21 3.41 -1.26 0.24 113.62 117.78 1u2k n SER 688 Ca -0.09 1.50 -0.04 0.00 -0.26 0.00 0.00 58.87 59.98 1u2k n SER 688 Cb 0.44 -0.58 0.15 0.00 -0.26 0.00 0.00 64.21 63.96 1u2k n SER 688 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1u2k h VAL 689 N 0.00 1.38 0.07 -3.33 -1.51 -1.93 -1.55 116.25 109.37 1u2k h VAL 689 Ca 0.58 -1.91 -0.27 0.00 -1.23 0.00 0.00 66.70 63.87 1u2k h VAL 689 Cb 1.27 1.96 -0.02 0.00 -2.13 0.00 0.00 31.29 32.37 1u2k h VAL 689 CO -0.80 0.56 -1.36 -0.07 -1.23 0.00 0.00 177.57 174.66 1u2k h LEU 690 N 0.16 0.23 -1.07 4.19 3.38 -0.59 -3.26 115.31 118.34 1u2k h LEU 690 Ca -0.00 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1u2k h LEU 690 Cb 1.05 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 1u2k h LEU 690 CO 0.09 1.24 0.44 -0.09 0.09 0.00 0.00 178.44 180.21 1u2k h ARG 691 N 0.04 1.08 -0.32 1.13 2.43 -0.09 0.58 114.38 119.23 1u2k h ARG 691 Ca -0.17 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 58.92 1u2k h ARG 691 Cb 1.94 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 31.22 1u2k h ARG 691 CO 0.15 0.78 -0.34 0.00 -1.51 0.00 0.00 179.97 179.05 1u2k h ALA 692 N 1.39 -0.53 -0.71 2.80 0.00 -1.33 1.53 119.26 122.41 1u2k h ALA 692 Ca 0.28 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1u2k h ALA 692 Cb 0.01 1.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1u2k h ALA 692 CO -0.05 -0.71 0.31 0.28 0.00 0.00 0.00 179.25 179.08 1u2k h VAL 693 N -0.18 1.23 -0.96 0.00 2.07 -1.21 -2.80 116.25 114.41 1u2k h VAL 693 Ca 0.05 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 66.90 1u2k h VAL 693 Cb 0.33 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 1u2k h VAL 693 CO -0.40 0.29 0.63 0.00 0.02 0.00 0.00 177.57 178.11 1u2k h ALA 694 N 1.32 1.36 -0.30 1.67 0.00 0.16 -3.20 119.26 120.26 1u2k h ALA 694 Ca 0.24 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1u2k h ALA 694 Cb 0.15 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1u2k h ALA 694 CO -0.03 0.57 -0.10 1.05 0.00 0.00 0.00 179.25 180.74 1u2k h GLU 695 N 1.24 0.49 -0.81 0.00 4.11 0.24 -2.92 114.58 116.94 1u2k h GLU 695 Ca 0.37 -0.13 0.08 0.00 0.07 0.00 0.00 59.36 59.75 1u2k h GLU 695 Cb -0.06 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.03 1u2k h GLU 695 CO -0.10 0.60 -0.45 0.28 0.07 0.00 0.00 179.01 179.41 1u2k n VAL 696 N -4.22 -0.53 0.67 -1.06 0.31 -1.21 -2.40 118.33 109.90 1u2k n VAL 696 Ca 0.01 1.94 0.13 0.00 -0.01 0.00 0.00 64.34 66.41 1u2k n VAL 696 Cb 0.31 -2.43 0.45 0.00 -0.91 0.00 0.00 33.84 31.26 1u2k n VAL 696 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1u2k n TYR 697 N -5.04 0.71 1.29 3.52 4.01 -1.11 -4.29 117.16 116.25 1u2k n TYR 697 Ca 0.03 0.22 0.05 0.00 -0.16 0.00 0.00 57.90 58.04 1u2k n TYR 697 Cb 0.23 -0.85 0.32 0.00 -0.31 0.00 0.00 39.34 38.73 1u2k n TYR 697 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1u2k n ALA 698 N -1.72 2.21 0.00 -0.72 0.00 -1.01 -4.70 120.51 114.57 1u2k n ALA 698 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1u2k n ALA 698 Cb 0.38 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1u2k n ALA 698 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u2k n SER 699 N -0.76 0.00 0.00 0.00 2.88 -1.26 -4.13 113.62 110.35 1u2k n SER 699 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1u2k n SER 699 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1u2k n SER 699 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1u2k n SER 700 N 0.00 0.00 0.00 -3.46 2.88 -1.26 -4.49 113.62 107.29 1u2k n SER 700 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1u2k n SER 700 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1u2k n SER 700 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1u2k n ASP 701 N 0.00 -0.62 -0.12 -3.46 5.75 -1.26 -4.80 116.55 112.05 1u2k n ASP 701 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.92 1u2k n ASP 701 Cb 0.00 -0.90 0.54 0.00 -1.03 0.00 0.00 41.12 39.73 1u2k n ASP 701 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u2k n ALA 702 N 0.71 2.85 -0.30 2.12 0.00 -1.26 -4.24 120.51 120.38 1u2k n ALA 702 Ca 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 53.44 53.12 1u2k n ALA 702 Cb 0.05 -1.29 0.07 0.00 0.00 0.00 0.00 19.45 18.28 1u2k n ALA 702 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1u2k h HIS 703 N 0.57 1.06 -0.41 0.00 -0.00 -1.89 -2.24 115.15 112.23 1u2k h HIS 703 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.22 1u2k h HIS 703 Cb 0.41 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 1u2k h HIS 703 CO 0.00 0.70 -0.34 1.05 -0.00 0.00 0.00 177.93 179.34 1u2k h GLU 704 N 1.11 0.96 -0.21 5.26 4.11 -2.00 -2.33 114.58 121.49 1u2k h GLU 704 Ca 0.29 -0.48 -0.07 0.00 0.07 0.00 0.00 59.36 59.18 1u2k h GLU 704 Cb -0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1u2k h GLU 704 CO -0.06 1.14 -0.17 -0.22 0.07 0.00 0.00 179.01 179.77 1u2k h LYS 705 N 0.79 0.36 -0.46 1.06 3.64 -1.79 -1.51 116.57 118.66 1u2k h LYS 705 Ca 0.08 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1u2k h LYS 705 Cb 0.93 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 1u2k h LYS 705 CO 0.09 0.53 0.05 0.35 -2.27 0.00 0.00 179.45 178.19 1u2k h PHE 706 N 0.33 0.76 -0.16 1.91 3.57 -1.28 -1.55 116.94 120.51 1u2k h PHE 706 Ca 0.06 -0.08 -0.13 0.00 3.53 0.00 0.00 57.97 61.35 1u2k h PHE 706 Cb 0.50 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1u2k h PHE 706 CO 0.01 0.68 -0.39 0.28 -2.23 0.00 0.00 178.31 176.67 1u2k h VAL 707 N 0.69 1.35 -0.59 1.41 2.07 -0.85 0.15 116.25 120.48 1u2k h VAL 707 Ca 0.15 -1.65 0.05 0.00 0.82 0.00 0.00 66.70 66.07 1u2k h VAL 707 Cb 0.36 1.97 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 1u2k h VAL 707 CO 0.01 0.50 0.32 0.11 0.02 0.00 0.00 177.57 178.53 1u2k h LYS 708 N 0.20 0.59 -0.24 1.57 1.57 -1.24 -1.55 116.57 117.46 1u2k h LYS 708 Ca -0.00 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 1u2k h LYS 708 Cb 1.00 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1u2k h LYS 708 CO 0.09 0.39 -0.48 -0.44 -0.57 0.00 0.00 179.45 178.44 1u2k h ASP 709 N 0.61 0.71 -0.27 0.86 3.32 -1.11 -0.57 116.42 119.95 1u2k h ASP 709 Ca 0.26 -0.35 0.05 0.00 0.02 0.00 0.00 57.03 57.01 1u2k h ASP 709 Cb 0.15 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 1u2k h ASP 709 CO -0.17 1.07 -0.00 0.15 -1.72 0.00 0.00 179.24 178.57 1u2k h PHE 710 N 0.52 -0.02 -0.46 4.55 3.57 -0.49 -1.28 116.94 123.33 1u2k h PHE 710 Ca 0.03 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 1u2k h PHE 710 Cb 1.02 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 1u2k h PHE 710 CO 0.05 -0.05 0.08 0.28 -2.23 0.00 0.00 178.31 176.44 1u2k h VAL 711 N 0.08 1.24 -0.66 1.41 2.07 -1.02 -0.32 116.25 119.05 1u2k h VAL 711 Ca 0.13 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1u2k h VAL 711 Cb 0.17 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1u2k h VAL 711 CO -0.22 0.31 0.42 0.00 0.02 0.00 0.00 177.57 178.10 1u2k h ALA 712 N 0.95 0.86 -0.65 1.67 0.00 -0.95 -1.75 119.26 119.39 1u2k h ALA 712 Ca 0.14 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1u2k h ALA 712 Cb 0.37 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1u2k h ALA 712 CO 0.01 0.21 0.09 0.00 0.00 0.00 0.00 179.25 179.56 1u2k h ALA 713 N 1.27 0.93 -0.31 0.00 0.00 -0.74 -1.69 119.26 118.72 1u2k h ALA 713 Ca 0.26 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1u2k h ALA 713 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1u2k h ALA 713 CO -0.09 0.66 0.03 2.35 0.00 0.00 0.00 179.25 182.20 1u2k h TRP 714 N 1.01 0.58 -0.30 0.00 2.91 -0.79 -1.86 115.95 117.50 1u2k h TRP 714 Ca 0.20 -0.09 -0.06 0.00 1.13 0.00 0.00 58.89 60.06 1u2k h TRP 714 Cb 0.45 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 28.93 1u2k h TRP 714 CO 0.03 0.64 -0.09 0.28 -1.03 0.00 0.00 178.44 178.27 1u2k h VAL 715 N 0.35 1.22 -0.33 2.65 2.07 -1.28 -0.27 116.25 120.64 1u2k h VAL 715 Ca 0.09 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 1u2k h VAL 715 Cb 0.39 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1u2k h VAL 715 CO 0.01 0.31 0.09 0.50 0.02 0.00 0.00 177.57 178.50 1u2k h LYS 716 N 0.46 0.53 -0.76 1.57 3.64 -0.85 -1.75 116.57 119.41 1u2k h LYS 716 Ca 0.09 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1u2k h LYS 716 Cb 0.44 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1u2k h LYS 716 CO 0.02 0.58 0.35 0.28 -2.27 0.00 0.00 179.45 178.41 1u2k h VAL 717 N 0.39 1.24 0.00 2.00 2.07 -0.93 -2.35 116.25 118.67 1u2k h VAL 717 Ca 0.11 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 1u2k h VAL 717 Cb 0.28 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1u2k h VAL 717 CO -0.00 0.29 -0.25 0.24 0.02 0.00 0.00 177.57 177.87 1u2k h MET 718 N 1.09 0.00 -0.60 1.57 2.86 -0.63 -2.94 114.93 116.29 1u2k h MET 718 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1u2k h MET 718 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1u2k h MET 718 CO -0.03 0.25 0.00 0.09 1.06 0.00 0.00 176.91 178.28 1u2k n ASN 719 N -4.20 4.86 0.20 1.22 3.02 -0.70 -4.66 115.26 115.00 1u2k n ASN 719 Ca -0.02 -2.57 0.04 0.00 -0.03 0.00 0.00 54.58 52.00 1u2k n ASN 719 Cb 0.31 -0.59 0.43 0.00 -0.61 0.00 0.00 39.78 39.32 1u2k n ASN 719 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1u2k h LEU 720 N 3.85 0.00 -2.79 3.41 3.38 -1.32 -0.90 115.31 120.94 1u2k h LEU 720 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1u2k h LEU 720 Cb 1.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1u2k h LEU 720 CO 0.28 0.28 0.00 -0.90 0.09 0.00 0.00 178.44 178.19 1u2k n ASP 721 N -4.16 4.32 -4.62 -0.43 5.68 -1.26 -4.25 116.55 111.82 1u2k n ASP 721 Ca -0.02 -2.50 -0.39 0.00 -0.50 0.00 0.00 54.79 51.38 1u2k n ASP 721 Cb 0.34 -0.57 -0.09 0.00 -1.14 0.00 0.00 41.12 39.66 1u2k n ASP 721 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1u2k s ARG 722 N -2.01 4.04 -1.46 0.11 3.52 -0.34 -4.53 118.95 118.28 1u2k s ARG 722 Ca 0.43 0.01 -0.08 0.00 -0.13 0.00 0.00 55.73 55.96 1u2k s ARG 722 Cb 0.30 -3.62 0.03 0.00 -1.56 0.00 0.00 34.95 30.09 1u2k s ARG 722 CO 0.18 -0.20 0.85 1.19 -0.81 0.00 0.00 175.30 176.51 1u2k n PHE 723 N 5.06 -2.31 -2.47 5.12 3.72 -1.26 -4.91 117.46 120.41 1u2k n PHE 723 Ca -0.10 0.74 -0.43 0.00 -0.05 0.00 0.00 57.45 57.62 1u2k n PHE 723 Cb 0.51 -4.43 -0.02 0.00 -0.94 0.00 0.00 39.48 34.60 1u2k n PHE 723 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1u2k s ASP 724 N -3.00 6.72 0.02 4.37 3.68 -1.26 -4.85 116.67 122.35 1u2k s ASP 724 Ca 0.47 1.14 -0.17 0.00 2.13 0.00 0.00 52.55 56.12 1u2k s ASP 724 Cb -0.22 -2.54 -0.34 0.00 -1.45 0.00 0.00 42.92 38.37 1u2k s ASP 724 CO 0.58 -1.05 1.00 0.25 0.13 0.00 0.00 175.17 176.08 1u2k h LEU 725 N 10.74 0.81 0.00 -1.34 5.85 -1.92 -3.52 115.31 125.93 1u2k h LEU 725 Ca -0.25 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.56 1u2k h LEU 725 Cb 1.09 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1u2k h LEU 725 CO 1.04 1.66 0.00 0.18 -0.34 0.00 0.00 178.44 180.98