#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w5e s HIS -6 N 0.00 0.44 -0.98 5.64 3.76 -1.26 -5.09 115.29 117.80 2w5e s HIS -6 Ca 0.00 -0.54 -0.22 0.00 -0.15 0.00 0.00 55.06 54.15 2w5e s HIS -6 Cb 0.00 -0.28 0.08 0.00 1.11 0.00 0.00 32.58 33.48 2w5e s HIS -6 CO 0.00 -0.15 1.33 -1.01 -0.85 0.00 0.00 174.74 174.06 2w5e s HIS -5 N -1.55 2.73 -1.06 1.40 3.76 -1.26 -4.94 115.29 114.37 2w5e s HIS -5 Ca -0.12 -1.01 -0.14 0.00 -0.15 0.00 0.00 55.06 53.63 2w5e s HIS -5 Cb -0.09 -4.55 0.19 0.00 1.11 0.00 0.00 32.58 29.23 2w5e s HIS -5 CO -0.01 -1.78 1.20 -3.38 -0.85 0.00 0.00 174.74 169.91 2w5e s HIS -4 N 4.20 3.57 0.58 1.40 -3.43 -1.26 -4.98 115.29 115.37 2w5e s HIS -4 Ca 0.41 -2.01 -0.00 0.00 -0.80 0.00 0.00 55.06 52.66 2w5e s HIS -4 Cb -0.02 -4.15 0.04 0.00 -1.43 0.00 0.00 32.58 27.02 2w5e s HIS -4 CO -0.09 -1.28 0.83 -1.01 -2.00 0.00 0.00 174.74 171.18 2w5e s HIS -3 N 1.17 2.87 0.22 0.38 3.76 -1.26 -5.05 115.29 117.39 2w5e s HIS -3 Ca 0.34 0.09 0.01 0.00 -0.15 0.00 0.00 55.06 55.35 2w5e s HIS -3 Cb -0.06 -2.85 -0.05 0.00 1.11 0.00 0.00 32.58 30.74 2w5e s HIS -3 CO -0.05 -0.99 0.08 -1.01 -0.85 0.00 0.00 174.74 171.92 2w5e s HIS -2 N -2.87 1.35 -1.37 1.40 3.76 0.16 -4.91 115.29 112.82 2w5e s HIS -2 Ca 0.58 -1.19 -0.07 0.00 -0.15 0.00 0.00 55.06 54.23 2w5e s HIS -2 Cb -0.10 -0.76 0.00 0.00 1.11 0.00 0.00 32.58 32.83 2w5e s HIS -2 CO 0.40 -0.39 0.43 0.72 -0.85 0.00 0.00 174.74 175.05 2w5e n HIS -1 N -0.36 -1.59 -2.99 1.40 8.25 -1.26 -2.43 115.22 116.24 2w5e n HIS -1 Ca -0.01 0.60 -0.41 0.00 -0.26 0.00 0.00 57.72 57.64 2w5e n HIS -1 Cb 0.65 -3.43 -0.05 0.00 1.12 0.00 0.00 29.99 28.29 2w5e n HIS -1 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2w5e s ILE 432 N -3.92 4.90 -0.63 1.59 1.01 -1.26 -4.22 121.20 118.68 2w5e s ILE 432 Ca 0.13 1.36 0.05 0.00 0.00 0.00 0.00 60.65 62.18 2w5e s ILE 432 Cb -0.06 -4.03 0.16 0.00 0.01 0.00 0.00 42.46 38.54 2w5e s ILE 432 CO 0.91 -0.03 0.42 -0.54 0.00 0.00 0.00 174.94 175.70 2w5e s LYS 433 N 2.69 2.18 0.50 2.79 1.02 -1.26 -4.93 119.74 122.74 2w5e s LYS 433 Ca 0.31 -3.03 0.26 0.00 0.02 0.00 0.00 55.97 53.53 2w5e s LYS 433 Cb -0.15 -3.20 1.34 0.00 -0.52 0.00 0.00 37.83 35.30 2w5e s LYS 433 CO 0.08 -1.25 2.02 -1.35 -0.92 0.00 0.00 175.35 173.94 2w5e h PRO 434 N 5.72 0.00 0.00 -1.68 0.11 -1.98 -1.31 132.00 132.86 2w5e h PRO 434 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2w5e h PRO 434 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2w5e h PRO 434 CO 0.67 0.14 0.00 0.41 -0.21 0.00 0.00 178.00 179.02 2w5e n GLY 435 N -0.55 -0.87 0.37 -0.55 0.00 -1.26 -2.04 105.19 100.28 2w5e n GLY 435 Ca -0.01 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.08 2w5e n GLY 435 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w5e n ALA 436 N -1.50 2.57 -2.89 4.61 0.00 -0.49 -3.76 120.51 119.05 2w5e n ALA 436 Ca 0.03 -0.39 -0.30 0.00 0.00 0.00 0.00 53.44 52.78 2w5e n ALA 436 Cb 0.13 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.34 2w5e n ALA 436 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2w5e s LEU 437 N -1.71 4.22 0.33 0.00 1.43 -0.87 -1.30 118.68 120.79 2w5e s LEU 437 Ca 0.34 0.18 0.05 0.00 -1.03 0.00 0.00 54.13 53.68 2w5e s LEU 437 Cb 0.18 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 2w5e s LEU 437 CO 0.28 0.15 0.31 0.00 0.23 0.00 0.00 176.35 177.31 2w5e s VAL 439 N -3.39 2.44 -0.18 0.00 1.01 -0.72 -1.77 120.40 117.79 2w5e s VAL 439 Ca 0.39 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 2w5e s VAL 439 Cb 0.02 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 2w5e s VAL 439 CO 0.26 0.55 0.12 -0.63 0.00 0.00 0.00 175.10 175.39 2w5e s ILE 440 N 0.31 5.28 -0.08 2.22 -1.09 0.12 -0.04 121.20 127.93 2w5e s ILE 440 Ca -0.15 0.14 0.04 0.00 -2.23 0.00 0.00 60.65 58.45 2w5e s ILE 440 Cb -0.17 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 2w5e s ILE 440 CO 0.08 0.48 -0.21 -0.62 -1.23 0.00 0.00 174.94 173.44 2w5e s ASP 441 N 0.08 2.70 0.26 3.58 2.15 0.98 -1.14 116.67 125.28 2w5e s ASP 441 Ca 0.08 -0.47 0.01 0.00 0.43 0.00 0.00 52.55 52.61 2w5e s ASP 441 Cb -0.11 -1.08 -0.05 0.00 -0.30 0.00 0.00 42.92 41.38 2w5e s ASP 441 CO -0.00 0.15 0.10 0.42 -0.17 0.00 0.00 175.17 175.66 2w5e s THR 442 N 0.27 0.54 0.51 1.71 -4.23 0.35 -1.61 115.64 113.19 2w5e s THR 442 Ca -0.13 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.55 2w5e s THR 442 Cb -0.16 -2.63 0.26 0.00 1.34 0.00 0.00 72.50 71.31 2w5e s THR 442 CO 0.06 0.00 2.13 -0.65 -0.54 0.00 0.00 174.62 175.62 2w5e h PRO 443 N 2.38 0.00 0.00 3.99 0.11 -1.97 -2.93 132.00 133.58 2w5e h PRO 443 Ca -0.38 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 2w5e h PRO 443 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2w5e h PRO 443 CO 0.60 0.04 -0.00 0.93 -0.21 0.00 0.00 178.00 179.36 2w5e h GLU 444 N 0.00 0.00 0.00 1.05 3.07 -1.96 -3.49 114.58 113.25 2w5e h GLU 444 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2w5e h GLU 444 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 2w5e h GLU 444 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.03 2w5e n GLY 445 N 1.08 -0.20 3.38 -3.84 0.00 -1.11 -5.15 105.19 99.35 2w5e n GLY 445 Ca 0.04 -1.37 -0.23 0.00 0.00 0.00 0.00 46.02 44.46 2w5e n GLY 445 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w5e s LYS 446 N -2.00 1.40 0.29 1.61 1.02 -1.26 -0.49 119.74 120.31 2w5e s LYS 446 Ca 0.00 -1.51 -0.13 0.00 0.02 0.00 0.00 55.97 54.35 2w5e s LYS 446 Cb 0.00 -1.49 0.01 0.00 -0.52 0.00 0.00 37.83 35.83 2w5e s LYS 446 CO 0.00 0.30 0.57 0.20 -0.92 0.00 0.00 175.35 175.50 2w5e s GLY 447 N -2.88 0.56 0.10 -3.33 0.00 -0.29 -4.97 107.32 96.52 2w5e s GLY 447 Ca 0.20 -0.87 -0.17 0.00 0.00 0.00 0.00 44.72 43.88 2w5e s GLY 447 CO 0.09 -0.54 0.56 -1.59 0.00 0.00 0.00 173.10 171.61 2w5e s THR 448 N -3.54 4.79 0.28 0.90 2.01 -0.60 -0.71 115.64 118.78 2w5e s THR 448 Ca 0.21 1.05 0.05 0.00 0.31 0.00 0.00 61.69 63.31 2w5e s THR 448 Cb -0.02 -3.82 -0.06 0.00 0.01 0.00 0.00 72.50 68.61 2w5e s THR 448 CO 0.11 0.42 -0.02 -0.83 -0.69 0.00 0.00 174.62 173.61 2w5e s GLY 449 N -1.36 1.81 -0.03 4.40 0.00 -0.73 -4.07 107.32 107.35 2w5e s GLY 449 Ca 0.33 -1.90 -0.05 0.00 0.00 0.00 0.00 44.72 43.09 2w5e s GLY 449 CO 0.19 -1.79 0.13 -0.11 0.00 0.00 0.00 173.10 171.51 2w5e s PHE 450 N -3.17 -0.07 -0.03 1.90 -0.71 -0.33 -1.29 117.98 114.28 2w5e s PHE 450 Ca 0.31 0.16 -0.30 0.00 -1.04 0.00 0.00 56.93 56.06 2w5e s PHE 450 Cb 0.05 0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.84 2w5e s PHE 450 CO 0.12 -0.15 1.05 -0.06 -1.34 0.00 0.00 175.22 174.84 2w5e s PHE 451 N -0.47 3.53 -0.07 3.49 0.08 -0.42 -0.37 117.98 123.75 2w5e s PHE 451 Ca -0.05 1.55 -0.03 0.00 0.12 0.00 0.00 56.93 58.52 2w5e s PHE 451 Cb -0.04 -3.22 0.04 0.00 -0.57 0.00 0.00 43.02 39.24 2w5e s PHE 451 CO 0.01 -0.41 0.14 0.45 -0.10 0.00 0.00 175.22 175.30 2w5e s SER 452 N 1.10 0.63 1.95 1.36 0.15 -0.66 -0.71 113.70 117.52 2w5e s SER 452 Ca 0.52 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.45 2w5e s SER 452 Cb -0.22 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 2w5e s SER 452 CO 0.24 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2w5e n GLY 453 N 5.08 3.74 0.68 9.45 0.00 -1.26 -1.07 105.19 121.80 2w5e n GLY 453 Ca -0.09 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 45.99 2w5e n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2w5e n ASN 454 N 5.62 2.04 -4.82 1.61 5.15 -1.26 -4.97 115.26 118.63 2w5e n ASN 454 Ca 0.00 -1.76 -0.22 0.00 -0.60 0.00 0.00 54.58 52.01 2w5e n ASN 454 Cb 0.00 -0.12 -0.04 0.00 -0.53 0.00 0.00 39.78 39.09 2w5e n ASN 454 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2w5e s ASP 455 N -1.61 5.13 -0.16 1.20 1.01 -0.23 -1.87 116.67 120.14 2w5e s ASP 455 Ca 0.34 -0.56 -0.01 0.00 0.71 0.00 0.00 52.55 53.02 2w5e s ASP 455 Cb 0.19 -0.91 -0.01 0.00 1.01 0.00 0.00 42.92 43.19 2w5e s ASP 455 CO 0.28 -0.34 -0.10 -0.63 0.21 0.00 0.00 175.17 174.59 2w5e s ILE 456 N -2.33 3.11 -0.07 0.77 1.01 0.17 -1.66 121.20 122.19 2w5e s ILE 456 Ca 0.40 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 2w5e s ILE 456 Cb -0.05 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 2w5e s ILE 456 CO 0.26 0.49 -0.01 -0.69 0.00 0.00 0.00 174.94 174.98 2w5e s VAL 457 N 0.80 4.17 0.36 2.92 1.01 0.50 -0.74 120.40 129.42 2w5e s VAL 457 Ca -0.04 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 2w5e s VAL 457 Cb -0.15 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.50 2w5e s VAL 457 CO 0.01 0.57 0.59 1.07 0.00 0.00 0.00 175.10 177.34 2w5e n THR 458 N 2.05 0.00 -2.70 3.92 5.66 -0.69 -1.19 114.28 121.33 2w5e n THR 458 Ca -0.18 -1.48 -0.37 0.00 -3.05 0.00 0.00 64.05 58.97 2w5e n THR 458 Cb 0.53 1.04 -0.06 0.00 -1.55 0.00 0.00 70.33 70.30 2w5e n THR 458 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2w5e s ALA 459 N -2.51 3.20 0.43 1.79 0.00 -1.26 -0.43 121.76 122.98 2w5e s ALA 459 Ca 0.24 0.59 0.15 0.00 0.00 0.00 0.00 51.96 52.95 2w5e s ALA 459 Cb -0.02 -3.22 1.05 0.00 0.00 0.00 0.00 23.12 20.93 2w5e s ALA 459 CO 0.17 0.06 1.92 0.00 0.00 0.00 0.00 175.76 177.92 2w5e h ALA 460 N 3.09 2.11 -0.00 0.00 0.00 -1.50 -1.77 119.26 121.18 2w5e h ALA 460 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2w5e h ALA 460 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2w5e h ALA 460 CO 0.65 -0.31 -0.09 -2.39 0.00 0.00 0.00 179.25 177.11 2w5e n HIS 461 N -4.48 0.00 0.05 0.00 1.44 -1.26 -1.37 115.22 109.60 2w5e n HIS 461 Ca 0.14 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.74 2w5e n HIS 461 Cb 0.52 -0.42 0.00 0.00 0.12 0.00 0.00 29.99 30.21 2w5e n HIS 461 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 2w5e h VAL 462 N 0.03 1.38 0.00 0.61 2.07 -1.71 -3.35 116.25 115.29 2w5e h VAL 462 Ca 0.00 -2.23 -0.06 0.00 0.82 0.00 0.00 66.70 65.23 2w5e h VAL 462 Cb 0.47 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 2w5e h VAL 462 CO 0.00 0.67 -0.35 0.58 0.02 0.00 0.00 177.57 178.49 2w5e h VAL 463 N 0.27 1.20 0.00 2.57 2.07 -1.59 -3.46 116.25 117.32 2w5e h VAL 463 Ca -0.05 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.45 2w5e h VAL 463 Cb 1.39 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 33.56 2w5e h VAL 463 CO 0.14 0.41 0.00 0.61 0.02 0.00 0.00 177.57 178.75 2w5e n GLY 464 N 1.59 1.40 1.11 2.17 0.00 -0.47 -3.21 105.19 107.78 2w5e n GLY 464 Ca -0.14 -0.56 0.11 0.00 0.00 0.00 0.00 46.02 45.43 2w5e n GLY 464 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2w5e n ASN 465 N 5.31 3.27 -4.76 1.61 3.02 -1.26 -4.97 115.26 117.49 2w5e n ASN 465 Ca 0.00 -1.97 -0.41 0.00 -0.03 0.00 0.00 54.58 52.17 2w5e n ASN 465 Cb 0.00 -0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 38.83 2w5e n ASN 465 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2w5e s ASN 466 N -1.29 6.73 -0.02 6.41 -0.87 -1.20 -4.94 114.94 119.77 2w5e s ASN 466 Ca 0.40 2.68 0.17 0.00 -1.57 0.00 0.00 52.86 54.54 2w5e s ASN 466 Cb 0.22 -2.64 -0.19 0.00 -0.02 0.00 0.00 41.25 38.62 2w5e s ASN 466 CO 0.30 -0.59 0.61 0.35 -2.57 0.00 0.00 177.10 175.20 2w5e n THR 467 N 1.32 1.16 -4.79 1.60 -2.24 -1.26 -4.82 114.28 105.26 2w5e n THR 467 Ca 0.02 -0.72 -0.25 0.00 -2.27 0.00 0.00 64.05 60.84 2w5e n THR 467 Cb 0.41 -0.65 -0.15 0.00 -2.10 0.00 0.00 70.33 67.84 2w5e n THR 467 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2w5e s PHE 468 N -2.85 1.59 0.17 4.78 0.08 -1.26 -1.20 117.98 119.28 2w5e s PHE 468 Ca -0.05 -0.31 0.06 0.00 0.12 0.00 0.00 56.93 56.75 2w5e s PHE 468 Cb 0.09 -1.00 -0.04 0.00 -0.57 0.00 0.00 43.02 41.49 2w5e s PHE 468 CO 0.83 -0.01 -0.12 0.14 -0.10 0.00 0.00 175.22 175.96 2w5e s VAL 469 N -0.49 1.40 -0.02 -0.44 -7.23 0.19 -4.97 120.40 108.84 2w5e s VAL 469 Ca 0.07 -2.10 -0.17 0.00 -1.81 0.00 0.00 61.98 57.97 2w5e s VAL 469 Cb -0.07 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 2w5e s VAL 469 CO -0.00 -0.67 0.48 0.20 -0.31 0.00 0.00 175.10 174.79 2w5e s ASN 470 N -3.18 6.84 -0.13 4.85 0.01 -0.63 -0.59 114.94 122.11 2w5e s ASN 470 Ca 0.18 1.00 0.02 0.00 -0.71 0.00 0.00 52.86 53.36 2w5e s ASN 470 Cb 0.01 -2.29 0.01 0.00 0.41 0.00 0.00 41.25 39.39 2w5e s ASN 470 CO 0.03 0.21 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.93 2w5e s VAL 471 N -0.56 1.94 -0.20 1.60 1.01 0.42 -0.02 120.40 124.59 2w5e s VAL 471 Ca 0.26 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 2w5e s VAL 471 Cb -0.17 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2w5e s VAL 471 CO 0.14 0.53 0.00 0.00 0.00 0.00 0.00 175.10 175.77 2w5e s TYR 473 N 1.08 -0.38 -1.03 0.00 5.04 -0.55 -1.75 117.35 119.76 2w5e s TYR 473 Ca 0.02 0.89 -0.06 0.00 -2.44 0.00 0.00 57.07 55.48 2w5e s TYR 473 Cb -0.14 0.04 0.05 0.00 0.35 0.00 0.00 41.96 42.25 2w5e s TYR 473 CO 0.01 -0.28 0.27 0.39 -1.34 0.00 0.00 175.55 174.60 2w5e n GLU 474 N 4.59 -2.85 -0.28 4.97 -0.58 -1.26 -1.32 120.64 123.91 2w5e n GLU 474 Ca -0.19 0.42 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 2w5e n GLU 474 Cb 0.52 -5.05 0.00 0.00 -0.57 0.00 0.00 31.44 26.34 2w5e n GLU 474 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2w5e n GLY 475 N -0.94 0.75 3.36 0.62 0.00 -1.26 -5.06 105.19 102.66 2w5e n GLY 475 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 2w5e n GLY 475 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2w5e s LEU 476 N 0.00 2.68 0.00 0.99 2.96 -0.43 -5.11 118.68 119.77 2w5e s LEU 476 Ca 0.00 -0.35 -0.19 0.00 -0.22 0.00 0.00 54.13 53.38 2w5e s LEU 476 Cb 0.00 -1.60 -0.06 0.00 0.50 0.00 0.00 46.19 45.03 2w5e s LEU 476 CO 0.00 0.16 0.53 -0.04 -1.32 0.00 0.00 176.35 175.68 2w5e s MET 477 N 0.39 4.20 0.16 1.98 -1.94 -1.26 -1.48 119.30 121.36 2w5e s MET 477 Ca -0.11 0.63 0.09 0.00 -1.71 0.00 0.00 55.69 54.59 2w5e s MET 477 Cb -0.16 -3.30 -0.04 0.00 2.01 0.00 0.00 34.83 33.34 2w5e s MET 477 CO 0.05 0.49 -0.19 0.71 -0.01 0.00 0.00 175.02 176.08 2w5e s TYR 478 N -0.54 1.84 -0.10 -0.03 2.02 0.15 -4.95 117.35 115.75 2w5e s TYR 478 Ca 0.28 -0.46 -0.13 0.00 -0.37 0.00 0.00 57.07 56.39 2w5e s TYR 478 Cb -0.18 -0.92 -0.05 0.00 -0.40 0.00 0.00 41.96 40.41 2w5e s TYR 478 CO 0.16 0.33 0.33 -2.00 -1.57 0.00 0.00 175.55 172.80 2w5e s GLU 479 N -2.76 4.02 0.06 -0.62 2.12 -1.26 -0.44 118.70 119.83 2w5e s GLU 479 Ca 0.16 0.20 0.02 0.00 0.36 0.00 0.00 54.97 55.71 2w5e s GLU 479 Cb -0.06 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 2w5e s GLU 479 CO 0.07 0.47 -0.08 0.00 -0.54 0.00 0.00 175.26 175.18 2w5e s ALA 480 N -0.28 0.75 -0.13 6.30 0.00 0.24 -4.79 121.76 123.85 2w5e s ALA 480 Ca 0.20 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 2w5e s ALA 480 Cb -0.14 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 2w5e s ALA 480 CO 0.08 -0.09 -0.00 0.21 0.00 0.00 0.00 175.76 175.96 2w5e s LYS 481 N -2.40 3.48 0.07 0.00 2.20 -1.26 -0.63 119.74 121.20 2w5e s LYS 481 Ca -0.02 -0.44 -0.31 0.00 -0.36 0.00 0.00 55.97 54.84 2w5e s LYS 481 Cb -0.05 -2.93 -0.08 0.00 -1.51 0.00 0.00 37.83 33.27 2w5e s LYS 481 CO -0.01 0.42 1.54 0.08 -0.36 0.00 0.00 175.35 177.02 2w5e s VAL 482 N -0.10 3.17 -0.20 4.02 1.01 -0.34 -1.76 120.40 126.20 2w5e s VAL 482 Ca 0.04 0.69 -0.12 0.00 0.00 0.00 0.00 61.98 62.59 2w5e s VAL 482 Cb -0.13 -3.44 -0.20 0.00 0.00 0.00 0.00 36.38 32.61 2w5e s VAL 482 CO 0.02 0.01 0.09 -1.14 0.00 0.00 0.00 175.10 174.08 2w5e n ARG 483 N 5.06 0.64 -3.65 2.72 0.63 0.11 -4.87 116.66 117.31 2w5e n ARG 483 Ca 0.14 0.36 -0.06 0.00 -0.92 0.00 0.00 57.85 57.37 2w5e n ARG 483 Cb 0.41 -1.65 -0.07 0.00 0.45 0.00 0.00 32.46 31.60 2w5e n ARG 483 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 2w5e s TYR 484 N -2.48 -1.07 -0.53 -0.14 5.04 -0.97 -5.03 117.35 112.17 2w5e s TYR 484 Ca -0.30 2.09 0.01 0.00 -2.44 0.00 0.00 57.07 56.43 2w5e s TYR 484 Cb 0.08 0.63 0.14 0.00 0.35 0.00 0.00 41.96 43.16 2w5e s TYR 484 CO 0.63 -0.54 0.29 -1.64 -1.34 0.00 0.00 175.55 172.96 2w5e s MET 485 N 1.87 2.12 0.90 4.97 -1.94 -1.26 -1.60 119.30 124.37 2w5e s MET 485 Ca -0.09 -2.46 -0.15 0.00 -1.71 0.00 0.00 55.69 51.28 2w5e s MET 485 Cb -0.07 -3.46 0.23 0.00 2.01 0.00 0.00 34.83 33.53 2w5e s MET 485 CO -0.19 -1.11 0.78 -0.35 -0.01 0.00 0.00 175.02 174.14 2w5e n PRO 486 N 3.45 -2.68 -0.15 2.03 -0.04 -1.26 -4.96 135.00 131.39 2w5e n PRO 486 Ca 0.05 -1.25 -0.06 0.00 -0.04 0.00 0.00 63.50 62.20 2w5e n PRO 486 Cb 0.36 -1.20 0.11 0.00 -0.04 0.00 0.00 33.50 32.73 2w5e n PRO 486 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2w5e h GLU 487 N 0.00 0.90 -7.13 0.54 4.81 -1.96 -3.44 114.58 108.30 2w5e h GLU 487 Ca -0.30 -0.26 -0.55 0.00 -0.13 0.00 0.00 59.36 58.12 2w5e h GLU 487 Cb 0.91 -0.10 0.17 0.00 0.63 0.00 0.00 28.75 30.36 2w5e h GLU 487 CO 0.19 0.89 0.47 1.63 -0.73 0.00 0.00 179.01 181.47 2w5e n LYS 488 N -4.20 0.89 -0.79 1.92 5.02 -1.26 -4.87 118.16 114.88 2w5e n LYS 488 Ca 0.03 0.37 -0.11 0.00 -2.02 0.00 0.00 58.31 56.58 2w5e n LYS 488 Cb 0.31 -2.51 -0.12 0.00 -0.02 0.00 0.00 35.03 32.69 2w5e n LYS 488 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2w5e n ASP 489 N -2.24 4.23 -4.18 4.39 9.92 -1.26 -4.80 116.55 122.60 2w5e n ASP 489 Ca 0.15 -2.27 -0.22 0.00 -0.53 0.00 0.00 54.79 51.93 2w5e n ASP 489 Cb 0.49 -1.11 -0.13 0.00 -0.64 0.00 0.00 41.12 39.73 2w5e n ASP 489 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2w5e s ILE 490 N 1.57 1.31 -0.03 0.53 1.01 -1.26 -1.54 121.20 122.80 2w5e s ILE 490 Ca 0.52 -1.10 0.06 0.00 0.00 0.00 0.00 60.65 60.12 2w5e s ILE 490 Cb 0.24 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.52 2w5e s ILE 490 CO -0.00 0.05 -0.20 0.00 0.00 0.00 0.00 174.94 174.79 2w5e s ALA 491 N -0.87 1.70 -0.19 9.38 0.00 0.43 -4.12 121.76 128.09 2w5e s ALA 491 Ca 0.03 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 2w5e s ALA 491 Cb -0.08 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 2w5e s ALA 491 CO 0.02 0.37 -0.08 -0.06 0.00 0.00 0.00 175.76 176.01 2w5e s PHE 492 N -0.28 2.91 -0.11 0.00 0.08 -0.62 -1.70 117.98 118.25 2w5e s PHE 492 Ca 0.03 -0.87 0.02 0.00 0.12 0.00 0.00 56.93 56.23 2w5e s PHE 492 Cb -0.10 -2.01 -0.01 0.00 -0.57 0.00 0.00 43.02 40.33 2w5e s PHE 492 CO 0.01 -0.45 -0.19 0.42 -0.10 0.00 0.00 175.22 174.91 2w5e s ILE 493 N 1.09 2.48 0.07 0.64 1.01 0.08 0.08 121.20 126.66 2w5e s ILE 493 Ca 0.01 -0.87 -0.31 0.00 0.00 0.00 0.00 60.65 59.49 2w5e s ILE 493 Cb -0.15 -2.00 -0.08 0.00 0.01 0.00 0.00 42.46 40.24 2w5e s ILE 493 CO -0.01 0.54 1.70 -0.89 0.00 0.00 0.00 174.94 176.28 2w5e s THR 494 N 0.37 3.00 0.07 2.92 2.01 -0.72 0.41 115.64 123.69 2w5e s THR 494 Ca -0.15 0.41 -0.31 0.00 0.31 0.00 0.00 61.69 61.96 2w5e s THR 494 Cb -0.17 -3.27 -0.08 0.00 0.01 0.00 0.00 72.50 68.99 2w5e s THR 494 CO 0.07 -0.01 1.60 0.00 -0.69 0.00 0.00 174.62 175.60 2w5e n PRO 496 N 5.41 1.39 0.28 0.00 -0.02 -1.26 -4.87 135.00 135.94 2w5e n PRO 496 Ca 0.15 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 62.26 2w5e n PRO 496 Cb 0.41 -1.93 0.84 0.00 -0.02 0.00 0.00 33.50 32.80 2w5e n PRO 496 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2w5e h GLY 497 N 1.86 0.00 -1.48 -1.23 0.00 -1.95 -2.22 103.07 98.05 2w5e h GLY 497 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2w5e h GLY 497 CO 0.59 0.00 -0.07 2.09 0.00 0.00 0.00 176.54 179.15 2w5e n ASP 498 N -3.91 2.55 -4.44 0.19 5.75 -1.26 -4.80 116.55 110.63 2w5e n ASP 498 Ca -0.03 -1.81 -0.44 0.00 -0.01 0.00 0.00 54.79 52.50 2w5e n ASP 498 Cb 0.12 0.07 -0.08 0.00 -1.03 0.00 0.00 41.12 40.19 2w5e n ASP 498 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2w5e s LEU 499 N -2.08 5.19 -0.66 -2.12 2.96 -0.84 -5.02 118.68 116.10 2w5e s LEU 499 Ca 0.28 -0.99 -0.06 0.00 -0.22 0.00 0.00 54.13 53.14 2w5e s LEU 499 Cb 0.20 -2.30 0.17 0.00 0.50 0.00 0.00 46.19 44.76 2w5e s LEU 499 CO 0.35 -0.66 0.52 -1.00 -1.32 0.00 0.00 176.35 174.23 2w5e s HIS 500 N 2.03 3.51 0.45 5.38 3.76 -1.26 -4.79 115.29 124.36 2w5e s HIS 500 Ca 0.09 -2.46 -0.23 0.00 -0.15 0.00 0.00 55.06 52.31 2w5e s HIS 500 Cb -0.20 -3.38 -0.07 0.00 1.11 0.00 0.00 32.58 30.03 2w5e s HIS 500 CO 0.10 -0.89 1.19 -1.25 -0.85 0.00 0.00 174.74 173.04 2w5e s PRO 501 N 0.12 3.78 0.40 8.40 0.04 -1.26 -4.92 135.00 141.56 2w5e s PRO 501 Ca 0.16 1.85 0.27 0.00 0.04 0.00 0.00 61.00 63.32 2w5e s PRO 501 Cb -0.18 -2.47 0.86 0.00 0.04 0.00 0.00 34.50 32.75 2w5e s PRO 501 CO -0.05 -0.56 1.78 1.79 0.04 0.00 0.00 177.00 180.00 2w5e h THR 502 N 1.96 0.00 -3.31 1.26 1.35 -1.98 -3.45 112.91 108.73 2w5e h THR 502 Ca -0.49 -0.62 -0.13 0.00 -0.55 0.00 0.00 66.41 64.62 2w5e h THR 502 Cb 1.25 1.58 -0.20 0.00 -1.73 0.00 0.00 68.15 69.05 2w5e h THR 502 CO 0.61 0.00 -0.38 0.00 -0.25 0.00 0.00 175.52 175.49 2w5e s ALA 503 N -3.35 -0.53 0.09 6.62 0.00 -1.25 -4.97 121.76 118.37 2w5e s ALA 503 Ca 0.05 0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.09 2w5e s ALA 503 Cb 0.08 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 2w5e s ALA 503 CO 0.57 -0.25 -0.10 1.03 0.00 0.00 0.00 175.76 177.01 2w5e s ARG 504 N -1.53 0.79 -0.15 0.00 0.52 -1.26 -4.03 118.95 113.30 2w5e s ARG 504 Ca -0.13 -1.08 -0.08 0.00 -0.52 0.00 0.00 55.73 53.92 2w5e s ARG 504 Cb -0.06 -0.52 -0.04 0.00 0.52 0.00 0.00 34.95 34.85 2w5e s ARG 504 CO 0.02 0.09 0.13 -0.51 0.02 0.00 0.00 175.30 175.05 2w5e s LEU 505 N -2.25 4.32 0.17 2.53 1.43 0.11 -4.99 118.68 120.00 2w5e s LEU 505 Ca 0.02 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.55 2w5e s LEU 505 Cb -0.04 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 2w5e s LEU 505 CO 0.00 0.33 0.26 -0.54 0.23 0.00 0.00 176.35 176.63 2w5e s LYS 506 N -0.56 3.30 0.59 1.70 1.02 -1.26 -4.39 119.74 120.14 2w5e s LYS 506 Ca 0.13 -0.71 -0.08 0.00 0.02 0.00 0.00 55.97 55.33 2w5e s LYS 506 Cb -0.12 -2.86 -0.02 0.00 -0.52 0.00 0.00 37.83 34.31 2w5e s LYS 506 CO 0.02 0.49 0.94 -0.51 -0.92 0.00 0.00 175.35 175.38 2w5e s LEU 507 N -3.35 3.30 0.18 3.17 1.02 -1.26 -0.67 118.68 121.06 2w5e s LEU 507 Ca 0.34 1.09 -0.30 0.00 0.02 0.00 0.00 54.13 55.28 2w5e s LEU 507 Cb -0.10 -4.03 -0.07 0.00 0.02 0.00 0.00 46.19 42.00 2w5e s LEU 507 CO 0.27 -0.89 0.94 -0.55 0.02 0.00 0.00 176.35 176.14 2w5e s SER 508 N -4.21 7.56 -0.12 2.29 0.15 -1.24 -4.79 113.70 113.35 2w5e s SER 508 Ca 0.53 1.86 -0.07 0.00 0.70 0.00 0.00 55.95 58.97 2w5e s SER 508 Cb -0.11 -2.59 -0.06 0.00 -1.71 0.00 0.00 66.02 61.55 2w5e s SER 508 CO 0.49 0.06 0.13 0.11 1.20 0.00 0.00 173.24 175.23 2w5e h LYS 509 N 4.83 0.00 -3.29 5.44 1.57 -1.97 -3.41 116.57 119.73 2w5e h LYS 509 Ca -0.44 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.66 2w5e h LYS 509 Cb 1.21 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.15 2w5e h LYS 509 CO 0.70 0.22 -0.24 -0.80 -0.57 0.00 0.00 179.45 178.75 2w5e s ASN 510 N -5.73 5.62 -0.07 0.86 0.01 -1.26 -5.08 114.94 109.29 2w5e s ASN 510 Ca -0.06 -3.64 -0.30 0.00 -0.71 0.00 0.00 52.86 48.15 2w5e s ASN 510 Cb -0.00 -1.84 -0.04 0.00 0.41 0.00 0.00 41.25 39.78 2w5e s ASN 510 CO 0.17 -0.18 1.42 -2.84 -1.51 0.00 0.00 177.10 174.16 2w5e s PRO 511 N -1.21 4.24 -0.43 -0.60 0.02 -1.26 -4.99 135.00 130.76 2w5e s PRO 511 Ca 0.25 1.93 -0.13 0.00 0.02 0.00 0.00 61.00 63.08 2w5e s PRO 511 Cb -0.08 -3.75 0.06 0.00 0.02 0.00 0.00 34.50 30.74 2w5e s PRO 511 CO -0.12 -0.69 0.30 0.34 -0.33 0.00 0.00 177.00 176.50 2w5e s ASP 512 N 2.32 5.90 0.00 2.53 2.15 -1.26 -4.95 116.67 123.36 2w5e s ASP 512 Ca 0.63 -1.27 0.21 0.00 0.43 0.00 0.00 52.55 52.55 2w5e s ASP 512 Cb -0.29 -2.09 0.82 0.00 -0.30 0.00 0.00 42.92 41.07 2w5e s ASP 512 CO 0.24 -0.54 1.58 -1.22 -0.17 0.00 0.00 175.17 175.06 2w5e n TYR 513 N 5.07 0.17 0.20 -5.34 4.01 -1.26 -4.26 117.16 115.74 2w5e n TYR 513 Ca -0.11 -0.08 0.08 0.00 -0.16 0.00 0.00 57.90 57.62 2w5e n TYR 513 Cb 0.44 0.00 0.32 0.00 -0.31 0.00 0.00 39.34 39.80 2w5e n TYR 513 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2w5e h SER 514 N 1.87 0.00 -5.10 7.72 4.64 -1.93 -3.36 113.55 117.39 2w5e h SER 514 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 2w5e h SER 514 Cb 0.41 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.35 2w5e h SER 514 CO 0.00 0.28 -0.27 0.00 -0.87 0.00 0.00 176.83 175.98 2w5e s VAL 516 N -3.35 0.12 -0.13 0.00 -7.23 0.10 -4.27 120.40 105.62 2w5e s VAL 516 Ca 0.01 -1.77 0.02 0.00 -1.81 0.00 0.00 61.98 58.42 2w5e s VAL 516 Cb 0.02 -1.89 0.01 0.00 0.56 0.00 0.00 36.38 35.09 2w5e s VAL 516 CO -0.08 -0.54 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.10 2w5e s THR 517 N -4.00 1.77 -0.16 5.32 2.01 0.11 -2.31 115.64 118.37 2w5e s THR 517 Ca 0.19 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.35 2w5e s THR 517 Cb 0.07 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 2w5e s THR 517 CO -0.01 0.49 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.70 2w5e s VAL 518 N 1.04 3.99 -0.10 3.82 1.01 -0.07 -0.12 120.40 129.97 2w5e s VAL 518 Ca -0.03 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.66 2w5e s VAL 518 Cb -0.15 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.48 2w5e s VAL 518 CO -0.05 0.48 -0.21 -0.04 0.00 0.00 0.00 175.10 175.28 2w5e s MET 519 N 0.46 2.78 0.03 2.72 -1.94 -1.15 -1.83 119.30 120.37 2w5e s MET 519 Ca -0.03 -0.78 -0.16 0.00 -1.71 0.00 0.00 55.69 53.01 2w5e s MET 519 Cb -0.14 -2.16 0.03 0.00 2.01 0.00 0.00 34.83 34.57 2w5e s MET 519 CO 0.02 0.10 0.36 0.00 -0.01 0.00 0.00 175.02 175.50 2w5e s ALA 520 N 0.53 -0.87 -0.20 3.03 0.00 -0.03 -3.74 121.76 120.47 2w5e s ALA 520 Ca -0.15 0.22 -0.19 0.00 0.00 0.00 0.00 51.96 51.85 2w5e s ALA 520 Cb -0.17 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 2w5e s ALA 520 CO 0.05 -0.41 0.53 0.71 0.00 0.00 0.00 175.76 176.64 2w5e s TYR 521 N -2.31 3.37 -0.28 0.00 2.02 -1.26 0.15 117.35 119.04 2w5e s TYR 521 Ca -0.06 0.78 0.03 0.00 -0.37 0.00 0.00 57.07 57.45 2w5e s TYR 521 Cb -0.01 -2.68 0.07 0.00 -0.40 0.00 0.00 41.96 38.94 2w5e s TYR 521 CO -0.01 -0.11 -0.05 0.08 -1.57 0.00 0.00 175.55 173.89 2w5e s VAL 522 N 1.67 2.04 0.00 0.71 1.01 0.89 -4.77 120.40 121.95 2w5e s VAL 522 Ca 0.24 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.48 2w5e s VAL 522 Cb -0.15 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.94 2w5e s VAL 522 CO 0.10 -0.22 0.00 0.59 0.00 0.00 0.00 175.10 175.57 2w5e n ASN 523 N 4.44 0.00 0.01 3.32 3.02 -1.26 -1.59 115.26 123.20 2w5e n ASN 523 Ca -0.08 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.60 2w5e n ASN 523 Cb 0.42 0.00 0.51 0.00 -0.61 0.00 0.00 39.78 40.10 2w5e n ASN 523 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2w5e n GLU 524 N 14.00 0.03 -4.48 3.52 1.02 -1.26 -4.94 120.64 128.54 2w5e n GLU 524 Ca 0.00 0.02 -0.33 0.00 -0.02 0.00 0.00 57.16 56.83 2w5e n GLU 524 Cb 0.00 -1.53 -0.10 0.00 -0.02 0.00 0.00 31.44 29.78 2w5e n GLU 524 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2w5e s ASP 525 N -3.18 4.84 0.18 1.62 1.01 -0.62 -5.09 116.67 115.42 2w5e s ASP 525 Ca 0.13 -0.02 -0.30 0.00 0.71 0.00 0.00 52.55 53.07 2w5e s ASP 525 Cb 0.18 -1.24 -0.08 0.00 1.01 0.00 0.00 42.92 42.79 2w5e s ASP 525 CO 0.58 0.33 1.18 -0.22 0.21 0.00 0.00 175.17 177.25 2w5e s LEU 526 N -1.10 4.45 -0.10 1.23 2.96 -1.26 -0.07 118.68 124.79 2w5e s LEU 526 Ca 0.15 2.20 0.01 0.00 -0.22 0.00 0.00 54.13 56.27 2w5e s LEU 526 Cb -0.11 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 42.99 2w5e s LEU 526 CO 0.05 -0.35 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.94 2w5e s VAL 527 N -0.06 1.13 -0.05 1.68 1.01 0.12 -4.91 120.40 119.31 2w5e s VAL 527 Ca 0.52 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.14 2w5e s VAL 527 Cb -0.32 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 2w5e s VAL 527 CO 0.36 0.37 -0.17 -0.69 0.00 0.00 0.00 175.10 174.97 2w5e s VAL 528 N 1.27 1.47 0.03 2.92 1.01 -1.26 -0.85 120.40 124.99 2w5e s VAL 528 Ca -0.03 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.06 2w5e s VAL 528 Cb -0.14 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.00 2w5e s VAL 528 CO -0.04 0.42 0.37 -0.94 0.00 0.00 0.00 175.10 174.92 2w5e s SER 529 N 0.16 -0.23 0.30 3.32 1.04 -0.76 -5.01 113.70 112.52 2w5e s SER 529 Ca -0.07 -0.04 0.05 0.00 0.48 0.00 0.00 55.95 56.37 2w5e s SER 529 Cb -0.13 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 2w5e s SER 529 CO 0.03 -0.62 0.44 0.42 0.98 0.00 0.00 173.24 174.49 2w5e s THR 530 N -2.34 4.73 0.08 2.02 -4.23 -1.26 -0.89 115.64 113.75 2w5e s THR 530 Ca -0.06 -0.89 -0.26 0.00 -1.18 0.00 0.00 61.69 59.30 2w5e s THR 530 Cb -0.01 -3.68 0.08 0.00 1.34 0.00 0.00 72.50 70.23 2w5e s THR 530 CO -0.02 -0.30 0.69 0.00 -0.54 0.00 0.00 174.62 174.45 2w5e s ALA 531 N -2.13 -1.69 0.58 3.99 0.00 -0.98 -4.97 121.76 116.57 2w5e s ALA 531 Ca 0.40 0.79 -0.18 0.00 0.00 0.00 0.00 51.96 52.96 2w5e s ALA 531 Cb -0.09 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 2w5e s ALA 531 CO 0.31 -0.66 1.14 0.00 0.00 0.00 0.00 175.76 176.55 2w5e s ALA 532 N -3.05 2.61 0.16 0.00 0.00 -1.26 -0.73 121.76 119.50 2w5e s ALA 532 Ca -0.01 0.78 -0.02 0.00 0.00 0.00 0.00 51.96 52.72 2w5e s ALA 532 Cb -0.01 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2w5e s ALA 532 CO -0.07 -0.96 0.11 0.00 0.00 0.00 0.00 175.76 174.83 2w5e s ALA 533 N -1.89 0.92 -0.13 0.00 0.00 -0.51 -4.03 121.76 116.11 2w5e s ALA 533 Ca 0.72 -1.52 -0.10 0.00 0.00 0.00 0.00 51.96 51.06 2w5e s ALA 533 Cb -0.24 1.08 0.04 0.00 0.00 0.00 0.00 23.12 24.00 2w5e s ALA 533 CO 0.32 -0.55 0.33 1.41 0.00 0.00 0.00 175.76 177.27 2w5e s MET 534 N -4.09 0.36 0.13 0.00 -2.45 -0.63 -4.47 119.30 108.15 2w5e s MET 534 Ca 0.30 0.52 -0.28 0.00 -1.25 0.00 0.00 55.69 54.98 2w5e s MET 534 Cb 0.07 0.11 -0.07 0.00 1.25 0.00 0.00 34.83 36.19 2w5e s MET 534 CO 0.06 -0.08 0.88 0.08 1.05 0.00 0.00 175.02 177.01 2w5e s VAL 535 N 0.53 4.45 -0.49 10.11 1.01 -1.26 -1.86 120.40 132.89 2w5e s VAL 535 Ca -0.03 1.91 0.03 0.00 0.00 0.00 0.00 61.98 63.90 2w5e s VAL 535 Cb -0.04 -4.25 0.16 0.00 0.00 0.00 0.00 36.38 32.24 2w5e s VAL 535 CO -0.03 0.39 0.33 -0.31 0.00 0.00 0.00 175.10 175.49 2w5e s TYR 536 N -0.41 1.97 0.00 5.22 2.02 0.98 -5.01 117.35 122.13 2w5e s TYR 536 Ca 0.42 -2.55 0.00 0.00 -0.37 0.00 0.00 57.07 54.57 2w5e s TYR 536 Cb -0.23 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.64 2w5e s TYR 536 CO 0.28 -0.74 0.00 0.41 -1.57 0.00 0.00 175.55 173.93 2w5e n GLY 537 N 2.98 1.68 0.15 0.71 0.00 -1.26 -1.68 105.19 107.77 2w5e n GLY 537 Ca 0.18 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.48 2w5e n GLY 537 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2w5e n ASN 538 N 11.07 0.90 -4.89 1.61 3.02 -1.26 -4.93 115.26 120.78 2w5e n ASN 538 Ca 0.00 -0.70 -0.36 0.00 -0.03 0.00 0.00 54.58 53.49 2w5e n ASN 538 Cb 0.00 0.28 -0.06 0.00 -0.61 0.00 0.00 39.78 39.40 2w5e n ASN 538 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2w5e s THR 539 N -2.73 5.45 -0.11 3.41 2.01 -0.67 -1.26 115.64 121.73 2w5e s THR 539 Ca 0.17 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.30 2w5e s THR 539 Cb 0.18 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 2w5e s THR 539 CO 0.62 0.50 -0.18 -0.22 -0.69 0.00 0.00 174.62 174.65 2w5e s LEU 540 N -1.40 2.46 0.06 4.42 2.96 0.53 -0.01 118.68 127.69 2w5e s LEU 540 Ca 0.20 -0.41 0.09 0.00 -0.22 0.00 0.00 54.13 53.79 2w5e s LEU 540 Cb -0.12 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 2w5e s LEU 540 CO 0.10 0.18 -0.25 -0.44 -1.32 0.00 0.00 176.35 174.62 2w5e s SER 541 N 0.26 3.01 -0.05 3.68 0.01 -0.78 -0.29 113.70 119.55 2w5e s SER 541 Ca -0.12 -0.60 -0.29 0.00 1.31 0.00 0.00 55.95 56.24 2w5e s SER 541 Cb -0.16 -0.25 0.10 0.00 0.21 0.00 0.00 66.02 65.91 2w5e s SER 541 CO 0.07 0.22 0.82 -0.72 0.41 0.00 0.00 173.24 174.03 2w5e s TYR 542 N -0.85 -0.48 0.37 2.43 -0.85 -0.99 -1.61 117.35 115.37 2w5e s TYR 542 Ca 0.11 0.66 -0.27 0.00 -0.52 0.00 0.00 57.07 57.04 2w5e s TYR 542 Cb -0.10 0.47 -0.09 0.00 0.38 0.00 0.00 41.96 42.62 2w5e s TYR 542 CO 0.03 -0.54 1.29 0.00 -1.52 0.00 0.00 175.55 174.81 2w5e s ALA 543 N -1.92 3.37 0.10 9.51 0.00 -1.26 -0.12 121.76 131.44 2w5e s ALA 543 Ca -0.03 1.23 0.10 0.00 0.00 0.00 0.00 51.96 53.26 2w5e s ALA 543 Cb -0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 2w5e s ALA 543 CO 0.00 -0.71 -0.26 0.14 0.00 0.00 0.00 175.76 174.93 2w5e s VAL 544 N -1.21 2.12 0.17 0.00 -7.23 -0.08 -4.75 120.40 109.41 2w5e s VAL 544 Ca 0.53 -1.61 0.07 0.00 -1.81 0.00 0.00 61.98 59.16 2w5e s VAL 544 Cb -0.38 -1.86 -0.15 0.00 0.56 0.00 0.00 36.38 34.55 2w5e s VAL 544 CO 0.50 0.14 1.39 0.03 -0.31 0.00 0.00 175.10 176.85 2w5e h ARG 545 N 4.18 0.04 -6.56 4.82 2.47 -1.95 -3.45 114.38 113.94 2w5e h ARG 545 Ca -0.49 -0.05 -0.65 0.00 -1.26 0.00 0.00 59.98 57.54 2w5e h ARG 545 Cb 1.16 0.02 -0.17 0.00 -1.65 0.00 0.00 29.97 29.33 2w5e h ARG 545 CO 0.40 0.88 -0.79 -0.08 0.56 0.00 0.00 179.97 180.95 2w5e s THR 546 N -3.06 2.66 -2.54 2.04 -1.32 -1.26 -5.01 115.64 107.15 2w5e s THR 546 Ca -0.00 -1.89 0.27 0.00 -1.21 0.00 0.00 61.69 58.86 2w5e s THR 546 Cb 0.11 -2.29 0.51 0.00 -1.51 0.00 0.00 72.50 69.31 2w5e s THR 546 CO 0.81 -0.11 1.68 0.00 -2.21 0.00 0.00 174.62 174.79 2w5e n GLN 547 N 0.20 1.75 -2.03 7.08 6.02 -1.26 -4.87 117.38 124.27 2w5e n GLN 547 Ca -0.12 -1.09 -0.36 0.00 -0.01 0.00 0.00 57.00 55.42 2w5e n GLN 547 Cb 0.56 -1.47 0.03 0.00 1.02 0.00 0.00 30.24 30.37 2w5e n GLN 547 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2w5e s ASP 548 N -1.97 5.38 0.37 1.08 1.01 -1.26 -4.98 116.67 116.30 2w5e s ASP 548 Ca 0.37 2.43 -0.27 0.00 0.71 0.00 0.00 52.55 55.78 2w5e s ASP 548 Cb 0.21 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.44 2w5e s ASP 548 CO 0.33 -1.47 1.26 -0.83 0.21 0.00 0.00 175.17 174.67 2w5e s GLY 549 N -1.46 2.95 -0.08 0.21 0.00 -1.26 -4.95 107.32 102.73 2w5e s GLY 549 Ca 0.74 1.17 0.17 0.00 0.00 0.00 0.00 44.72 46.80 2w5e s GLY 549 CO 0.35 1.77 1.16 1.03 0.00 0.00 0.00 173.10 177.42 2w5e n MET 550 N 0.45 0.64 -1.64 2.90 2.81 -1.26 -4.83 117.12 116.19 2w5e n MET 550 Ca 0.02 -2.36 -0.55 0.00 -1.81 0.00 0.00 57.70 52.99 2w5e n MET 550 Cb 0.43 -0.73 -0.07 0.00 -0.71 0.00 0.00 33.22 32.15 2w5e n MET 550 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2w5e n SER 551 N -0.27 1.82 0.00 7.83 7.64 -1.26 -1.53 113.62 127.85 2w5e n SER 551 Ca 0.10 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.09 2w5e n SER 551 Cb 0.90 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 2w5e n SER 551 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2w5e n GLY 552 N 3.17 1.12 3.77 0.23 0.00 -0.29 -1.55 105.19 111.65 2w5e n GLY 552 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 2w5e n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w5e s ALA 553 N -2.47 3.36 0.22 4.61 0.00 -0.58 -4.44 121.76 122.46 2w5e s ALA 553 Ca 0.00 1.36 -0.30 0.00 0.00 0.00 0.00 51.96 53.02 2w5e s ALA 553 Cb 0.00 -3.53 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 2w5e s ALA 553 CO 0.00 -0.92 1.07 -1.25 0.00 0.00 0.00 175.76 174.66 2w5e s PRO 554 N -2.17 4.65 -0.33 0.00 0.04 -1.25 -0.65 135.00 135.29 2w5e s PRO 554 Ca 0.55 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 63.25 2w5e s PRO 554 Cb -0.41 -3.25 0.04 0.00 0.04 0.00 0.00 34.50 30.92 2w5e s PRO 554 CO 0.54 0.19 0.08 0.08 0.04 0.00 0.00 177.00 177.93 2w5e s VAL 555 N -0.68 3.55 0.21 -0.36 1.01 0.38 -2.95 120.40 121.55 2w5e s VAL 555 Ca 0.46 -1.21 0.06 0.00 0.00 0.00 0.00 61.98 61.29 2w5e s VAL 555 Cb -0.30 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2w5e s VAL 555 CO 0.36 -0.16 0.20 0.00 0.00 0.00 0.00 175.10 175.50 2w5e n ASP 557 N -0.87 -0.86 0.14 0.00 5.68 0.76 0.07 116.55 121.47 2w5e n ASP 557 Ca -0.08 -1.31 0.10 0.00 -0.50 0.00 0.00 54.79 53.00 2w5e n ASP 557 Cb 0.56 -0.96 0.52 0.00 -1.14 0.00 0.00 41.12 40.10 2w5e n ASP 557 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 2w5e n LYS 558 N -4.13 0.14 -0.12 0.11 2.85 -1.26 -1.67 118.16 114.09 2w5e n LYS 558 Ca 0.15 0.56 0.10 0.00 -1.05 0.00 0.00 58.31 58.07 2w5e n LYS 558 Cb 0.55 -1.89 0.15 0.00 -0.65 0.00 0.00 35.03 33.19 2w5e n LYS 558 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2w5e n TYR 559 N -2.18 0.31 -0.66 5.58 4.01 -1.26 0.40 117.16 123.35 2w5e n TYR 559 Ca -0.00 -0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 2w5e n TYR 559 Cb 0.09 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 2w5e n TYR 559 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2w5e s ARG 561 N -0.34 4.35 -0.08 0.00 1.81 -1.26 -4.68 118.95 118.75 2w5e s ARG 561 Ca 0.00 0.93 -0.30 0.00 -1.72 0.00 0.00 55.73 54.64 2w5e s ARG 561 Cb 0.00 -3.14 -0.02 0.00 -0.45 0.00 0.00 34.95 31.34 2w5e s ARG 561 CO 0.00 0.54 1.11 0.54 -0.68 0.00 0.00 175.30 176.81 2w5e s VAL 562 N -1.25 4.49 -0.23 3.52 0.11 0.15 -0.17 120.40 127.02 2w5e s VAL 562 Ca 0.36 1.79 0.07 0.00 -2.93 0.00 0.00 61.98 61.27 2w5e s VAL 562 Cb -0.20 -4.15 -0.20 0.00 -1.53 0.00 0.00 36.38 30.30 2w5e s VAL 562 CO 0.22 -0.01 -0.08 0.18 -3.33 0.00 0.00 175.10 172.09 2w5e n LEU 563 N 5.17 1.90 -3.67 2.54 4.77 0.75 -3.66 117.00 124.80 2w5e n LEU 563 Ca 0.10 -0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 2w5e n LEU 563 Cb 0.47 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2w5e n LEU 563 CO 0.54 0.77 0.35 0.00 -1.33 0.00 0.00 177.39 177.72 2w5e s ALA 564 N -2.51 -1.20 -0.24 -1.18 0.00 -0.81 -1.11 121.76 114.70 2w5e s ALA 564 Ca -0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 2w5e s ALA 564 Cb 0.08 0.86 0.02 0.00 0.00 0.00 0.00 23.12 24.08 2w5e s ALA 564 CO 0.69 -0.84 -0.07 0.08 0.00 0.00 0.00 175.76 175.62 2w5e s VAL 565 N -3.84 2.88 0.25 0.00 1.01 -0.06 -0.47 120.40 120.16 2w5e s VAL 565 Ca 0.07 -0.94 -0.31 0.00 0.00 0.00 0.00 61.98 60.80 2w5e s VAL 565 Cb -0.02 -2.42 -0.12 0.00 0.00 0.00 0.00 36.38 33.81 2w5e s VAL 565 CO -0.04 0.26 1.57 1.57 0.00 0.00 0.00 175.10 178.46 2w5e n HIS 566 N 4.68 2.59 -0.01 5.22 -0.00 0.17 -1.61 115.22 126.26 2w5e n HIS 566 Ca -0.17 0.26 -0.05 0.00 0.46 0.00 0.00 57.72 58.22 2w5e n HIS 566 Cb 0.48 -2.57 -0.02 0.00 -0.12 0.00 0.00 29.99 27.76 2w5e n HIS 566 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2w5e n GLN 567 N 2.60 0.18 -3.84 1.57 1.13 0.64 -1.13 117.38 118.52 2w5e n GLN 567 Ca 0.12 0.08 -0.09 0.00 -1.94 0.00 0.00 57.00 55.16 2w5e n GLN 567 Cb 0.34 -0.82 -0.05 0.00 0.11 0.00 0.00 30.24 29.83 2w5e n GLN 567 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2w5e s THR 568 N -2.26 0.03 0.06 5.09 -1.32 -1.02 -4.60 115.64 111.62 2w5e s THR 568 Ca -0.11 -1.05 0.06 0.00 -1.21 0.00 0.00 61.69 59.38 2w5e s THR 568 Cb 0.03 -1.75 -0.03 0.00 -1.51 0.00 0.00 72.50 69.24 2w5e s THR 568 CO 0.15 -0.16 -0.15 0.54 -2.21 0.00 0.00 174.62 172.79 2w5e s ASN 569 N -2.92 1.83 -0.28 8.08 4.22 -1.26 -0.12 114.94 124.49 2w5e s ASN 569 Ca 0.13 -0.54 0.01 0.00 -2.14 0.00 0.00 52.86 50.32 2w5e s ASN 569 Cb 0.00 -0.10 0.08 0.00 1.28 0.00 0.00 41.25 42.51 2w5e s ASN 569 CO -0.00 0.01 0.01 0.42 -2.04 0.00 0.00 177.10 175.50 2w5e s THR 570 N -1.03 1.54 0.00 0.54 -4.23 -0.21 -4.99 115.64 107.27 2w5e s THR 570 Ca 0.01 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 2w5e s THR 570 Cb -0.09 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.78 2w5e s THR 570 CO 0.02 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 2w5e n GLY 571 N 4.62 2.59 1.16 3.99 0.00 -1.26 -2.53 105.19 113.75 2w5e n GLY 571 Ca -0.06 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.63 2w5e n GLY 571 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2w5e n TYR 572 N 13.51 1.00 -3.89 1.61 4.01 -1.26 -4.61 117.16 127.53 2w5e n TYR 572 Ca 0.00 -0.35 -0.35 0.00 -0.16 0.00 0.00 57.90 57.04 2w5e n TYR 572 Cb 0.00 -0.29 -0.14 0.00 -0.31 0.00 0.00 39.34 38.60 2w5e n TYR 572 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2w5e s THR 573 N -1.85 3.33 0.35 -0.72 2.01 -1.05 -0.90 115.64 116.81 2w5e s THR 573 Ca 0.27 -0.71 -0.05 0.00 0.31 0.00 0.00 61.69 61.50 2w5e s THR 573 Cb 0.20 -2.62 -0.05 0.00 0.01 0.00 0.00 72.50 70.04 2w5e s THR 573 CO 0.08 0.28 0.63 -0.83 -0.69 0.00 0.00 174.62 174.08 2w5e s GLY 574 N 1.43 1.74 -0.01 4.40 0.00 0.83 -1.04 107.32 114.67 2w5e s GLY 574 Ca 0.03 -0.54 0.02 0.00 0.00 0.00 0.00 44.72 44.23 2w5e s GLY 574 CO -0.03 -0.42 -0.06 -0.32 0.00 0.00 0.00 173.10 172.28 2w5e s GLY 575 N -3.44 0.34 0.08 0.20 0.00 0.83 -2.34 107.32 102.99 2w5e s GLY 575 Ca 0.45 -0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.98 2w5e s GLY 575 CO 0.33 -0.06 -0.07 0.00 0.00 0.00 0.00 173.10 173.30 2w5e s ALA 576 N 0.12 0.87 -0.26 3.20 0.00 0.61 -0.26 121.76 126.04 2w5e s ALA 576 Ca -0.01 -1.18 -0.10 0.00 0.00 0.00 0.00 51.96 50.66 2w5e s ALA 576 Cb -0.06 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 2w5e s ALA 576 CO -0.00 -0.17 0.15 0.08 0.00 0.00 0.00 175.76 175.82 2w5e s VAL 577 N -2.97 5.09 0.35 0.00 1.01 -0.64 -0.35 120.40 122.90 2w5e s VAL 577 Ca 0.06 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.84 2w5e s VAL 577 Cb 0.01 -3.40 -0.11 0.00 0.00 0.00 0.00 36.38 32.88 2w5e s VAL 577 CO -0.03 0.30 1.54 -0.38 0.00 0.00 0.00 175.10 176.53 2w5e n ILE 578 N 4.78 1.61 -4.64 2.22 -0.00 -0.39 -0.88 119.36 122.07 2w5e n ILE 578 Ca -0.15 -0.40 -0.34 0.00 -0.00 0.00 0.00 62.75 61.86 2w5e n ILE 578 Cb 0.52 -2.00 -0.11 0.00 -0.00 0.00 0.00 39.64 38.05 2w5e n ILE 578 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.55 176.04 2w5e s ILE 579 N -0.67 3.65 0.17 1.39 2.07 -0.27 -4.89 121.20 122.63 2w5e s ILE 579 Ca 0.57 -0.52 0.07 0.00 -1.41 0.00 0.00 60.65 59.36 2w5e s ILE 579 Cb -0.48 -2.49 -0.04 0.00 0.13 0.00 0.00 42.46 39.58 2w5e s ILE 579 CO 0.58 0.58 -0.01 -1.81 -1.91 0.00 0.00 174.94 172.37 2w5e s ASP 580 N -0.85 4.75 0.58 4.50 1.01 -1.26 -4.84 116.67 120.56 2w5e s ASP 580 Ca 0.13 -0.39 0.28 0.00 0.71 0.00 0.00 52.55 53.28 2w5e s ASP 580 Cb -0.11 -1.01 1.71 0.00 1.01 0.00 0.00 42.92 44.52 2w5e s ASP 580 CO 0.02 0.10 2.18 -0.65 0.21 0.00 0.00 175.17 177.03 2w5e h PRO 581 N 2.80 0.00 0.00 8.23 0.11 -2.00 -2.33 132.00 138.81 2w5e h PRO 581 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2w5e h PRO 581 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2w5e h PRO 581 CO 0.58 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 180.16 2w5e h THR 582 N 0.00 0.00 0.00 -1.15 1.35 -1.95 -3.09 112.91 108.07 2w5e h THR 582 Ca 0.04 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2w5e h THR 582 Cb 0.22 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 2w5e h THR 582 CO -0.00 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 175.71 2w5e h ASP 583 N 0.00 0.00 0.17 5.36 3.32 -1.82 -3.28 116.42 120.17 2w5e h ASP 583 Ca 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 2w5e h ASP 583 Cb 0.63 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 2w5e h ASP 583 CO 0.00 0.00 -0.33 -0.26 -1.72 0.00 0.00 179.24 176.93 2w5e h PHE 584 N 0.00 0.28 -3.96 4.55 -1.00 -1.68 -3.45 116.94 111.67 2w5e h PHE 584 Ca 0.00 -0.06 -0.27 0.00 2.81 0.00 0.00 57.97 60.44 2w5e h PHE 584 Cb 0.66 -0.07 -0.22 0.00 3.61 0.00 0.00 35.95 39.94 2w5e h PHE 584 CO 0.00 0.55 -0.73 -1.01 -1.61 0.00 0.00 178.31 175.51 2w5e s HIS 585 N -4.30 0.64 -2.05 -0.55 3.76 -1.24 -4.98 115.29 106.58 2w5e s HIS 585 Ca -0.05 -0.47 0.32 0.00 -0.15 0.00 0.00 55.06 54.71 2w5e s HIS 585 Cb 0.14 -0.39 1.83 0.00 1.11 0.00 0.00 32.58 35.27 2w5e s HIS 585 CO 0.76 -0.08 2.19 -0.35 -0.85 0.00 0.00 174.74 176.40