#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 0.53 -0.80 5.58 3.76 -1.26 -5.10 115.29 118.00 2w5e s HIS -6 Ca 0.00 -0.72 -0.24 0.00 -0.15 0.00 0.00 55.06 53.95 2w5e s HIS -6 Cb 0.00 -0.35 0.06 0.00 1.11 0.00 0.00 32.58 33.40 2w5e s HIS -6 CO 0.00 -0.20 1.20 -1.01 -0.85 0.00 0.00 174.74 173.88 2w5e s HIS -5 N -2.41 2.56 -0.94 1.40 3.76 -1.26 -4.95 115.29 113.45 2w5e s HIS -5 Ca -0.04 -0.55 -0.12 0.00 -0.15 0.00 0.00 55.06 54.20 2w5e s HIS -5 Cb -0.03 -4.50 0.24 0.00 1.11 0.00 0.00 32.58 29.40 2w5e s HIS -5 CO -0.04 -1.84 0.90 -3.38 -0.85 0.00 0.00 174.74 169.53 2w5e s HIS -4 N 4.68 3.96 0.52 1.40 -3.43 -1.26 -4.97 115.29 116.19 2w5e s HIS -4 Ca 0.33 -2.27 0.00 0.00 -0.80 0.00 0.00 55.06 52.32 2w5e s HIS -4 Cb -0.08 -3.82 0.02 0.00 -1.43 0.00 0.00 32.58 27.26 2w5e s HIS -4 CO 0.05 -0.97 0.75 -1.01 -2.00 0.00 0.00 174.74 171.56 2w5e s HIS -3 N -0.40 3.03 0.16 0.38 3.76 -1.26 -5.07 115.29 115.89 2w5e s HIS -3 Ca 0.23 0.15 0.02 0.00 -0.15 0.00 0.00 55.06 55.31 2w5e s HIS -3 Cb -0.10 -2.60 -0.05 0.00 1.11 0.00 0.00 32.58 30.95 2w5e s HIS -3 CO -0.09 -0.69 -0.03 -1.01 -0.85 0.00 0.00 174.74 172.08 2w5e s HIS -2 N -2.72 1.17 -1.40 1.40 3.76 0.70 -4.87 115.29 113.34 2w5e s HIS -2 Ca 0.54 -0.96 -0.03 0.00 -0.15 0.00 0.00 55.06 54.46 2w5e s HIS -2 Cb -0.10 -0.66 0.02 0.00 1.11 0.00 0.00 32.58 32.95 2w5e s HIS -2 CO 0.39 -0.15 0.67 0.72 -0.85 0.00 0.00 174.74 175.52 2w5e n HIS -1 N -0.21 -1.89 -2.75 1.40 8.25 -1.26 -2.41 115.22 116.36 2w5e n HIS -1 Ca -0.08 0.82 -0.43 0.00 -0.26 0.00 0.00 57.72 57.77 2w5e n HIS -1 Cb 0.62 -4.04 -0.03 0.00 1.12 0.00 0.00 29.99 27.66 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 -3.68 4.66 -0.63 1.59 1.01 -1.26 -4.26 121.20 118.62 2w5e s ILE 432 Ca 0.16 1.65 0.05 0.00 0.00 0.00 0.00 60.65 62.50 2w5e s ILE 432 Cb -0.08 -4.29 0.16 0.00 0.01 0.00 0.00 42.46 38.26 2w5e s ILE 432 CO 0.85 -0.31 0.42 -0.54 0.00 0.00 0.00 174.94 175.36 2w5e s LYS 433 N 3.28 2.20 0.56 2.79 1.02 -1.26 -4.93 119.74 123.40 2w5e s LYS 433 Ca 0.41 -3.05 0.33 0.00 0.02 0.00 0.00 55.97 53.67 2w5e s LYS 433 Cb -0.14 -3.20 1.64 0.00 -0.52 0.00 0.00 37.83 35.62 2w5e s LYS 433 CO 0.12 -1.25 2.12 -1.35 -0.92 0.00 0.00 175.35 174.06 2w5e h PRO 434 N 5.69 0.00 0.00 -1.68 0.11 -1.99 -1.79 132.00 132.34 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 0.68 0.07 0.00 0.41 -0.21 0.00 0.00 178.00 178.94 2w5e n GLY 435 N -0.58 -0.80 0.61 -0.55 0.00 -1.26 -1.89 105.19 100.71 2w5e n GLY 435 Ca -0.01 -0.03 0.10 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 2.51 -2.89 4.61 0.00 -0.67 -3.84 120.51 118.71 2w5e n ALA 436 Ca 0.02 -0.56 -0.32 0.00 0.00 0.00 0.00 53.44 52.58 2w5e n ALA 436 Cb 0.10 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.55 4.29 0.25 0.00 1.43 -0.79 -1.36 118.68 120.94 2w5e s LEU 437 Ca 0.32 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 2w5e s LEU 437 Cb 0.18 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 2w5e s LEU 437 CO 0.26 0.20 0.17 0.00 0.23 0.00 0.00 176.35 177.22 2w5e s VAL 439 N -3.90 3.72 -0.22 0.00 1.01 -0.83 -1.12 120.40 119.07 2w5e s VAL 439 Ca 0.39 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 2w5e s VAL 439 Cb 0.06 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 2w5e s VAL 439 CO 0.17 0.51 0.21 -0.63 0.00 0.00 0.00 175.10 175.36 2w5e s ILE 440 N 0.23 5.33 -0.13 2.22 -1.09 -0.12 -0.61 121.20 127.03 2w5e s ILE 440 Ca -0.04 0.31 0.02 0.00 -2.23 0.00 0.00 60.65 58.71 2w5e s ILE 440 Cb -0.14 -3.55 -0.00 0.00 -1.58 0.00 0.00 42.46 37.19 2w5e s ILE 440 CO 0.03 0.35 -0.19 -0.62 -1.23 0.00 0.00 174.94 173.29 2w5e s ASP 441 N 0.87 3.45 0.26 3.58 2.15 0.38 -1.03 116.67 126.34 2w5e s ASP 441 Ca 0.11 -0.50 0.01 0.00 0.43 0.00 0.00 52.55 52.60 2w5e s ASP 441 Cb -0.13 -1.51 -0.05 0.00 -0.30 0.00 0.00 42.92 40.93 2w5e s ASP 441 CO 0.04 0.11 0.10 0.42 -0.17 0.00 0.00 175.17 175.67 2w5e s THR 442 N 0.63 0.54 0.56 1.71 -4.23 -0.37 -1.63 115.64 112.86 2w5e s THR 442 Ca -0.10 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 58.79 2w5e s THR 442 Cb -0.16 -2.63 0.40 0.00 1.34 0.00 0.00 72.50 71.44 2w5e s THR 442 CO 0.02 0.00 2.27 -0.65 -0.54 0.00 0.00 174.62 175.72 2w5e h PRO 443 N 2.39 0.00 0.00 3.99 0.11 -1.97 -2.44 132.00 134.07 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 0.02 -0.38 0.93 -0.21 0.00 0.00 178.00 178.96 2w5e h GLU 444 N 0.00 0.00 0.00 1.05 3.07 -1.96 -3.50 114.58 113.24 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 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 2w5e h GLU 444 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 2w5e n GLY 445 N 1.30 0.49 3.21 -3.84 0.00 -0.92 -5.14 105.19 100.29 2w5e n GLY 445 Ca 0.04 -1.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.26 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 0.96 0.33 1.61 1.02 -1.26 -1.24 119.74 119.17 2w5e s LYS 446 Ca 0.00 -1.00 0.05 0.00 0.02 0.00 0.00 55.97 55.04 2w5e s LYS 446 Cb 0.00 -1.06 -0.02 0.00 -0.52 0.00 0.00 37.83 36.22 2w5e s LYS 446 CO 0.00 0.25 0.33 0.20 -0.92 0.00 0.00 175.35 175.21 2w5e s GLY 447 N -1.69 2.10 -0.08 -3.33 0.00 -0.19 -4.93 107.32 99.19 2w5e s GLY 447 Ca 0.02 -1.92 -0.08 0.00 0.00 0.00 0.00 44.72 42.74 2w5e s GLY 447 CO 0.03 -1.34 0.20 -1.59 0.00 0.00 0.00 173.10 170.39 2w5e s THR 448 N -3.32 5.41 0.29 0.90 2.01 -0.34 -0.94 115.64 119.65 2w5e s THR 448 Ca 0.38 0.27 0.07 0.00 0.31 0.00 0.00 61.69 62.72 2w5e s THR 448 Cb 0.02 -3.47 -0.06 0.00 0.01 0.00 0.00 72.50 68.99 2w5e s THR 448 CO 0.26 0.56 -0.05 -0.83 -0.69 0.00 0.00 174.62 173.87 2w5e s GLY 449 N -1.18 1.90 -0.01 4.40 0.00 -0.27 -4.14 107.32 108.02 2w5e s GLY 449 Ca 0.19 -1.95 -0.07 0.00 0.00 0.00 0.00 44.72 42.89 2w5e s GLY 449 CO 0.08 -1.86 0.14 -0.11 0.00 0.00 0.00 173.10 171.34 2w5e s PHE 450 N -2.99 -0.01 -0.01 1.90 -0.71 -0.24 -1.23 117.98 114.69 2w5e s PHE 450 Ca 0.30 0.01 -0.27 0.00 -1.04 0.00 0.00 56.93 55.94 2w5e s PHE 450 Cb 0.04 -0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 2w5e s PHE 450 CO 0.13 -0.23 0.85 -0.06 -1.34 0.00 0.00 175.22 174.57 2w5e s PHE 451 N -0.98 3.65 -0.18 3.49 0.08 -0.47 -0.06 117.98 123.52 2w5e s PHE 451 Ca -0.11 1.52 -0.08 0.00 0.12 0.00 0.00 56.93 58.38 2w5e s PHE 451 Cb -0.06 -2.96 0.07 0.00 -0.57 0.00 0.00 43.02 39.50 2w5e s PHE 451 CO 0.01 0.08 0.40 0.45 -0.10 0.00 0.00 175.22 176.07 2w5e s SER 452 N 0.70 -0.32 1.60 1.36 0.15 -0.68 -0.59 113.70 115.92 2w5e s SER 452 Ca 0.45 0.91 0.00 0.00 0.70 0.00 0.00 55.95 58.01 2w5e s SER 452 Cb -0.20 1.04 0.00 0.00 -1.71 0.00 0.00 66.02 65.16 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 4.90 3.51 1.48 9.45 0.00 -1.26 -0.85 105.19 122.43 2w5e n GLY 453 Ca -0.15 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 4.86 4.38 -4.70 1.61 5.15 -1.26 -4.98 115.26 120.33 2w5e n ASN 454 Ca 0.00 -2.42 -0.23 0.00 -0.60 0.00 0.00 54.58 51.33 2w5e n ASN 454 Cb 0.00 -0.56 -0.07 0.00 -0.53 0.00 0.00 39.78 38.63 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 -0.84 4.60 -0.19 1.20 1.01 -0.03 -1.80 116.67 120.62 2w5e s ASP 455 Ca 0.46 -0.74 -0.03 0.00 0.71 0.00 0.00 52.55 52.95 2w5e s ASP 455 Cb 0.30 -0.76 -0.01 0.00 1.01 0.00 0.00 42.92 43.46 2w5e s ASP 455 CO 0.22 -0.19 -0.06 -0.63 0.21 0.00 0.00 175.17 174.72 2w5e s ILE 456 N -2.40 3.34 -0.12 0.77 1.01 0.18 -1.68 121.20 122.30 2w5e s ILE 456 Ca 0.35 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.43 2w5e s ILE 456 Cb -0.04 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 2w5e s ILE 456 CO 0.21 0.45 0.07 -0.69 0.00 0.00 0.00 174.94 174.99 2w5e s VAL 457 N 1.12 4.88 0.24 2.92 1.01 0.91 -0.47 120.40 131.01 2w5e s VAL 457 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 2w5e s VAL 457 Cb -0.15 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.14 2w5e s VAL 457 CO -0.01 0.58 0.36 1.07 0.00 0.00 0.00 175.10 177.11 2w5e n THR 458 N 2.33 0.00 -2.95 3.92 5.66 -0.73 -1.07 114.28 121.44 2w5e n THR 458 Ca -0.19 -1.07 -0.35 0.00 -3.05 0.00 0.00 64.05 59.39 2w5e n THR 458 Cb 0.54 0.71 -0.06 0.00 -1.55 0.00 0.00 70.33 69.96 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 -2.23 3.27 0.26 1.79 0.00 -1.26 -0.79 121.76 122.79 2w5e s ALA 459 Ca 0.17 0.31 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 2w5e s ALA 459 Cb -0.01 -3.00 0.49 0.00 0.00 0.00 0.00 23.12 20.61 2w5e s ALA 459 CO 0.13 0.24 1.77 0.00 0.00 0.00 0.00 175.76 177.89 2w5e h ALA 460 N 2.93 1.23 0.00 0.00 0.00 -1.55 -1.77 119.26 120.10 2w5e h ALA 460 Ca -0.48 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2w5e h ALA 460 Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2w5e h ALA 460 CO 0.64 -0.07 0.00 -2.39 0.00 0.00 0.00 179.25 177.44 2w5e n HIS 461 N -4.86 0.87 -0.04 0.00 1.44 -1.26 -1.32 115.22 110.05 2w5e n HIS 461 Ca 0.16 0.32 -0.14 0.00 -2.01 0.00 0.00 57.72 56.05 2w5e n HIS 461 Cb 0.40 -1.02 -0.02 0.00 0.12 0.00 0.00 29.99 29.47 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 0.00 1.29 0.10 0.61 2.07 -1.71 -3.28 116.25 115.34 2w5e h VAL 462 Ca 0.00 -1.82 -0.28 0.00 0.82 0.00 0.00 66.70 65.43 2w5e h VAL 462 Cb 0.45 1.75 0.03 0.00 -1.52 0.00 0.00 31.29 32.00 2w5e h VAL 462 CO 0.00 0.58 -1.16 0.58 0.02 0.00 0.00 177.57 177.59 2w5e h VAL 463 N 0.57 1.30 0.00 2.57 2.07 -1.46 -3.45 116.25 117.85 2w5e h VAL 463 Ca -0.00 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.11 2w5e h VAL 463 Cb 1.20 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.66 2w5e h VAL 463 CO 0.13 0.73 0.00 0.61 0.02 0.00 0.00 177.57 179.06 2w5e n GLY 464 N 1.35 3.54 1.96 2.17 0.00 -0.43 -2.37 105.19 111.42 2w5e n GLY 464 Ca -0.13 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 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 4.55 4.31 -4.25 1.61 3.02 -1.26 -4.89 115.26 118.35 2w5e n ASN 465 Ca 0.00 -3.71 -0.40 0.00 -0.03 0.00 0.00 54.58 50.44 2w5e n ASN 465 Cb 0.00 -0.79 -0.10 0.00 -0.61 0.00 0.00 39.78 38.29 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 -1.88 5.63 0.31 6.41 -0.87 -1.00 -4.95 114.94 118.60 2w5e s ASN 466 Ca 0.55 -1.61 0.00 0.00 -1.57 0.00 0.00 52.86 50.23 2w5e s ASN 466 Cb 0.46 -1.98 0.52 0.00 -0.02 0.00 0.00 41.25 40.23 2w5e s ASN 466 CO 0.05 -0.57 1.96 0.74 -2.57 0.00 0.00 177.10 176.71 2w5e h THR 467 N 6.10 1.15 -3.33 1.60 2.02 -1.90 -3.40 112.91 115.15 2w5e h THR 467 Ca -0.22 -0.35 -0.64 0.00 0.77 0.00 0.00 66.41 65.97 2w5e h THR 467 Cb 1.08 0.03 -0.23 0.00 -1.74 0.00 0.00 68.15 67.29 2w5e h THR 467 CO 0.78 0.19 -0.68 -0.36 0.37 0.00 0.00 175.52 175.81 2w5e s PHE 468 N -5.87 2.99 0.28 3.16 0.08 -1.26 -0.73 117.98 116.63 2w5e s PHE 468 Ca -0.11 -0.42 0.11 0.00 0.12 0.00 0.00 56.93 56.63 2w5e s PHE 468 Cb 0.18 -1.97 -0.05 0.00 -0.57 0.00 0.00 43.02 40.61 2w5e s PHE 468 CO 0.79 -0.13 -0.18 0.14 -0.10 0.00 0.00 175.22 175.74 2w5e s VAL 469 N 0.55 2.32 0.04 -0.44 -7.23 -0.07 -4.96 120.40 110.61 2w5e s VAL 469 Ca -0.03 -2.35 -0.18 0.00 -1.81 0.00 0.00 61.98 57.60 2w5e s VAL 469 Cb -0.14 -2.31 -0.06 0.00 0.56 0.00 0.00 36.38 34.42 2w5e s VAL 469 CO 0.03 -0.40 0.54 0.20 -0.31 0.00 0.00 175.10 175.15 2w5e s ASN 470 N -3.49 6.99 -0.10 4.85 0.01 -0.64 -1.03 114.94 121.52 2w5e s ASN 470 Ca 0.29 1.18 0.03 0.00 -0.71 0.00 0.00 52.86 53.65 2w5e s ASN 470 Cb -0.03 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 39.30 2w5e s ASN 470 CO 0.14 0.26 -0.21 -0.69 -1.51 0.00 0.00 177.10 175.09 2w5e s VAL 471 N -0.95 1.83 -0.18 1.60 1.01 0.11 -0.47 120.40 123.36 2w5e s VAL 471 Ca 0.28 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 2w5e s VAL 471 Cb -0.19 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 2w5e s VAL 471 CO 0.17 0.51 -0.05 0.00 0.00 0.00 0.00 175.10 175.73 2w5e s TYR 473 N 0.85 -0.14 -1.37 0.00 5.04 -0.60 -1.97 117.35 119.15 2w5e s TYR 473 Ca -0.01 0.48 -0.12 0.00 -2.44 0.00 0.00 57.07 54.98 2w5e s TYR 473 Cb -0.15 -0.16 0.09 0.00 0.35 0.00 0.00 41.96 42.09 2w5e s TYR 473 CO 0.01 -0.19 0.57 0.39 -1.34 0.00 0.00 175.55 174.99 2w5e n GLU 474 N 4.57 -3.37 -0.21 4.97 -0.58 -1.26 -1.56 120.64 123.20 2w5e n GLU 474 Ca -0.19 0.44 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 2w5e n GLU 474 Cb 0.51 -5.15 0.00 0.00 -0.57 0.00 0.00 31.44 26.23 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 -1.22 1.41 3.64 0.62 0.00 -1.26 -5.04 105.19 103.34 2w5e n GLY 475 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 3.81 -0.04 0.99 2.96 -0.60 -5.09 118.68 120.71 2w5e s LEU 476 Ca 0.00 0.10 -0.20 0.00 -0.22 0.00 0.00 54.13 53.81 2w5e s LEU 476 Cb 0.00 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 2w5e s LEU 476 CO 0.00 0.20 0.56 -0.04 -1.32 0.00 0.00 176.35 175.75 2w5e s MET 477 N 0.24 4.31 0.07 1.98 -1.94 -1.26 -1.56 119.30 121.13 2w5e s MET 477 Ca 0.04 0.65 0.08 0.00 -1.71 0.00 0.00 55.69 54.75 2w5e s MET 477 Cb -0.12 -3.37 -0.03 0.00 2.01 0.00 0.00 34.83 33.31 2w5e s MET 477 CO 0.00 0.29 -0.22 0.71 -0.01 0.00 0.00 175.02 175.80 2w5e s TYR 478 N 0.11 1.91 0.02 -0.03 2.02 0.13 -4.95 117.35 116.56 2w5e s TYR 478 Ca 0.30 -0.39 -0.20 0.00 -0.37 0.00 0.00 57.07 56.41 2w5e s TYR 478 Cb -0.17 -1.10 -0.06 0.00 -0.40 0.00 0.00 41.96 40.23 2w5e s TYR 478 CO 0.15 0.15 0.58 -2.00 -1.57 0.00 0.00 175.55 172.85 2w5e s GLU 479 N -1.46 4.26 0.02 -0.62 2.12 -1.26 0.06 118.70 121.82 2w5e s GLU 479 Ca 0.08 0.72 -0.03 0.00 0.36 0.00 0.00 54.97 56.10 2w5e s GLU 479 Cb -0.09 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 2w5e s GLU 479 CO 0.03 0.48 0.03 0.00 -0.54 0.00 0.00 175.26 175.26 2w5e s ALA 480 N -0.54 -0.04 -0.16 6.30 0.00 -0.20 -4.81 121.76 122.31 2w5e s ALA 480 Ca 0.30 -0.44 -0.05 0.00 0.00 0.00 0.00 51.96 51.77 2w5e s ALA 480 Cb -0.19 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 2w5e s ALA 480 CO 0.18 -0.19 -0.00 0.21 0.00 0.00 0.00 175.76 175.96 2w5e s LYS 481 N -1.54 3.71 0.21 0.00 2.20 -1.26 -0.89 119.74 122.17 2w5e s LYS 481 Ca -0.15 -0.45 -0.32 0.00 -0.36 0.00 0.00 55.97 54.69 2w5e s LYS 481 Cb -0.08 -3.00 -0.13 0.00 -1.51 0.00 0.00 37.83 33.11 2w5e s LYS 481 CO -0.00 0.30 1.63 0.28 -0.36 0.00 0.00 175.35 177.19 2w5e n VAL 482 N 3.40 0.22 -0.11 4.02 0.31 0.09 -1.93 118.33 124.34 2w5e n VAL 482 Ca -0.17 -0.06 -0.25 0.00 -0.01 0.00 0.00 64.34 63.86 2w5e n VAL 482 Cb 0.52 -1.78 -0.11 0.00 -0.91 0.00 0.00 33.84 31.56 2w5e n VAL 482 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2w5e n ARG 483 N 3.36 0.62 -3.67 5.55 0.63 0.16 -4.84 116.66 118.48 2w5e n ARG 483 Ca 0.15 0.31 -0.10 0.00 -0.92 0.00 0.00 57.85 57.28 2w5e n ARG 483 Cb 0.33 -1.58 -0.09 0.00 0.45 0.00 0.00 32.46 31.57 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 -0.77 -0.46 -0.14 5.04 -0.92 -5.02 117.35 112.58 2w5e s TYR 484 Ca -0.34 1.67 0.03 0.00 -2.44 0.00 0.00 57.07 56.00 2w5e s TYR 484 Cb 0.11 0.37 0.12 0.00 0.35 0.00 0.00 41.96 42.91 2w5e s TYR 484 CO 0.57 -0.39 0.21 -1.64 -1.34 0.00 0.00 175.55 172.96 2w5e s MET 485 N 1.06 1.70 1.08 4.97 -1.94 -1.26 -1.47 119.30 123.44 2w5e s MET 485 Ca -0.06 -2.31 -0.18 0.00 -1.71 0.00 0.00 55.69 51.43 2w5e s MET 485 Cb -0.06 -3.05 0.27 0.00 2.01 0.00 0.00 34.83 34.00 2w5e s MET 485 CO -0.10 -1.08 1.01 -0.35 -0.01 0.00 0.00 175.02 174.49 2w5e n PRO 486 N 3.47 -2.72 -0.33 2.03 -0.04 -1.26 -4.95 135.00 131.21 2w5e n PRO 486 Ca 0.05 -1.61 -0.04 0.00 -0.04 0.00 0.00 63.50 61.86 2w5e n PRO 486 Cb 0.35 -1.45 0.08 0.00 -0.04 0.00 0.00 33.50 32.44 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 1.21 -7.08 0.54 4.81 -1.95 -3.43 114.58 108.68 2w5e h GLU 487 Ca -0.37 -0.13 -0.55 0.00 -0.13 0.00 0.00 59.36 58.17 2w5e h GLU 487 Cb 1.12 -0.24 0.15 0.00 0.63 0.00 0.00 28.75 30.41 2w5e h GLU 487 CO 0.25 0.88 0.56 0.15 -0.73 0.00 0.00 179.01 180.12 2w5e s LYS 488 N -5.88 2.85 -0.48 1.92 1.02 -1.26 -4.86 119.74 113.06 2w5e s LYS 488 Ca -0.13 2.14 -0.06 0.00 0.02 0.00 0.00 55.97 57.95 2w5e s LYS 488 Cb 0.16 -2.05 -0.15 0.00 -0.52 0.00 0.00 37.83 35.28 2w5e s LYS 488 CO 0.82 -1.39 2.70 -0.25 -0.92 0.00 0.00 175.35 176.31 2w5e n ASP 489 N -1.47 4.97 -4.20 2.83 8.00 -1.26 -4.79 116.55 120.63 2w5e n ASP 489 Ca 0.13 -2.31 -0.20 0.00 0.71 0.00 0.00 54.79 53.12 2w5e n ASP 489 Cb 0.47 -1.15 -0.12 0.00 -0.02 0.00 0.00 41.12 40.29 2w5e n ASP 489 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2w5e s ILE 490 N 2.05 1.27 -0.02 0.53 1.01 -1.26 -1.68 121.20 123.10 2w5e s ILE 490 Ca 0.51 -1.35 0.06 0.00 0.00 0.00 0.00 60.65 59.86 2w5e s ILE 490 Cb 0.20 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 2w5e s ILE 490 CO -0.02 -0.17 -0.20 0.00 0.00 0.00 0.00 174.94 174.56 2w5e s ALA 491 N -1.22 1.66 -0.20 9.38 0.00 0.03 -4.04 121.76 127.37 2w5e s ALA 491 Ca 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 2w5e s ALA 491 Cb -0.10 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 2w5e s ALA 491 CO 0.03 0.38 -0.06 -0.06 0.00 0.00 0.00 175.76 176.05 2w5e s PHE 492 N -0.35 2.93 -0.11 0.00 0.08 -0.54 -1.78 117.98 118.21 2w5e s PHE 492 Ca 0.05 -0.84 0.01 0.00 0.12 0.00 0.00 56.93 56.27 2w5e s PHE 492 Cb -0.09 -2.04 -0.02 0.00 -0.57 0.00 0.00 43.02 40.31 2w5e s PHE 492 CO 0.00 -0.44 -0.13 0.42 -0.10 0.00 0.00 175.22 174.97 2w5e s ILE 493 N 1.15 3.09 0.03 0.64 1.01 0.38 0.39 121.20 127.89 2w5e s ILE 493 Ca 0.02 -0.66 -0.30 0.00 0.00 0.00 0.00 60.65 59.70 2w5e s ILE 493 Cb -0.14 -2.28 -0.07 0.00 0.01 0.00 0.00 42.46 39.97 2w5e s ILE 493 CO -0.01 0.54 1.66 -0.89 0.00 0.00 0.00 174.94 176.23 2w5e s THR 494 N 0.10 3.22 0.11 2.92 2.01 -0.81 0.47 115.64 123.66 2w5e s THR 494 Ca -0.06 0.55 -0.31 0.00 0.31 0.00 0.00 61.69 62.18 2w5e s THR 494 Cb -0.15 -3.36 -0.09 0.00 0.01 0.00 0.00 72.50 68.92 2w5e s THR 494 CO 0.04 -0.02 1.58 0.00 -0.69 0.00 0.00 174.62 175.53 2w5e n PRO 496 N 4.70 1.64 0.25 0.00 -0.02 -1.26 -4.89 135.00 135.43 2w5e n PRO 496 Ca 0.14 0.58 0.09 0.00 -2.02 0.00 0.00 63.50 62.29 2w5e n PRO 496 Cb 0.40 -2.08 0.65 0.00 -0.02 0.00 0.00 33.50 32.45 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 2.07 0.00 -0.61 -1.23 0.00 -1.96 -1.96 103.07 99.39 2w5e h GLY 497 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2w5e h GLY 497 CO 0.60 0.00 -0.17 2.09 0.00 0.00 0.00 176.54 179.06 2w5e n ASP 498 N -4.23 1.72 -4.52 0.19 5.75 -1.26 -4.80 116.55 109.40 2w5e n ASP 498 Ca -0.03 -1.40 -0.43 0.00 -0.01 0.00 0.00 54.79 52.92 2w5e n ASP 498 Cb 0.16 0.13 -0.07 0.00 -1.03 0.00 0.00 41.12 40.31 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 -2.25 4.49 -0.59 -2.12 2.96 -0.74 -5.02 118.68 115.42 2w5e s LEU 499 Ca 0.28 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2w5e s LEU 499 Cb 0.20 -2.74 0.15 0.00 0.50 0.00 0.00 46.19 44.29 2w5e s LEU 499 CO 0.43 -0.79 0.39 -1.00 -1.32 0.00 0.00 176.35 174.06 2w5e s HIS 500 N 2.85 3.41 0.48 5.38 3.76 -1.26 -4.78 115.29 125.13 2w5e s HIS 500 Ca 0.23 -2.73 -0.22 0.00 -0.15 0.00 0.00 55.06 52.20 2w5e s HIS 500 Cb -0.14 -3.16 -0.08 0.00 1.11 0.00 0.00 32.58 30.31 2w5e s HIS 500 CO 0.19 -0.85 1.10 -1.25 -0.85 0.00 0.00 174.74 173.09 2w5e s PRO 501 N 0.07 3.74 0.21 8.40 0.04 -1.26 -4.94 135.00 141.26 2w5e s PRO 501 Ca 0.16 1.58 0.26 0.00 0.04 0.00 0.00 61.00 63.04 2w5e s PRO 501 Cb -0.21 -2.25 0.85 0.00 0.04 0.00 0.00 34.50 32.93 2w5e s PRO 501 CO -0.03 -0.52 1.77 0.25 0.04 0.00 0.00 177.00 178.51 2w5e n THR 502 N -0.74 0.60 -3.66 1.26 -2.24 -1.26 -4.85 114.28 103.40 2w5e n THR 502 Ca 0.08 -0.20 -0.15 0.00 -2.27 0.00 0.00 64.05 61.51 2w5e n THR 502 Cb 0.50 -0.66 -0.07 0.00 -2.10 0.00 0.00 70.33 68.00 2w5e n THR 502 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2w5e s ALA 503 N -3.12 -1.20 0.11 6.98 0.00 -1.25 -4.98 121.76 118.30 2w5e s ALA 503 Ca 0.10 0.73 0.03 0.00 0.00 0.00 0.00 51.96 52.82 2w5e s ALA 503 Cb 0.12 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 2w5e s ALA 503 CO 0.57 -0.32 -0.08 1.03 0.00 0.00 0.00 175.76 176.96 2w5e s ARG 504 N -1.34 0.90 -0.12 0.00 0.52 -1.26 -3.98 118.95 113.66 2w5e s ARG 504 Ca -0.12 -1.33 -0.04 0.00 -0.52 0.00 0.00 55.73 53.71 2w5e s ARG 504 Cb -0.03 -0.38 -0.04 0.00 0.52 0.00 0.00 34.95 35.03 2w5e s ARG 504 CO 0.06 0.03 0.04 -0.51 0.02 0.00 0.00 175.30 174.94 2w5e s LEU 505 N -2.96 3.76 0.17 2.53 1.43 0.24 -4.99 118.68 118.86 2w5e s LEU 505 Ca 0.12 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 2w5e s LEU 505 Cb 0.03 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2w5e s LEU 505 CO -0.02 0.32 0.26 -0.54 0.23 0.00 0.00 176.35 176.60 2w5e s LYS 506 N -0.50 3.31 0.45 1.70 1.02 -1.26 -4.45 119.74 120.01 2w5e s LYS 506 Ca 0.10 -0.70 -0.11 0.00 0.02 0.00 0.00 55.97 55.28 2w5e s LYS 506 Cb -0.12 -2.87 -0.06 0.00 -0.52 0.00 0.00 37.83 34.26 2w5e s LYS 506 CO 0.02 0.49 0.83 -0.51 -0.92 0.00 0.00 175.35 175.26 2w5e s LEU 507 N -3.35 3.73 0.20 3.17 1.02 -1.26 -0.90 118.68 121.29 2w5e s LEU 507 Ca 0.34 1.20 -0.28 0.00 0.02 0.00 0.00 54.13 55.40 2w5e s LEU 507 Cb -0.10 -4.11 -0.08 0.00 0.02 0.00 0.00 46.19 41.91 2w5e s LEU 507 CO 0.27 -0.48 0.89 -0.55 0.02 0.00 0.00 176.35 176.50 2w5e s SER 508 N -3.33 7.55 -0.12 2.29 0.15 -1.23 -4.83 113.70 114.18 2w5e s SER 508 Ca 0.52 1.83 -0.25 0.00 0.70 0.00 0.00 55.95 58.76 2w5e s SER 508 Cb -0.10 -2.57 -0.27 0.00 -1.71 0.00 0.00 66.02 61.37 2w5e s SER 508 CO 0.34 0.15 0.72 0.11 1.20 0.00 0.00 173.24 175.77 2w5e h LYS 509 N 4.36 0.10 -3.13 5.44 1.57 -1.96 -3.41 116.57 119.54 2w5e h LYS 509 Ca -0.45 -0.18 -0.62 0.00 -1.87 0.00 0.00 60.65 57.52 2w5e h LYS 509 Cb 1.20 0.07 -0.42 0.00 0.08 0.00 0.00 32.23 33.16 2w5e h LYS 509 CO 0.68 1.09 -0.60 -0.80 -0.57 0.00 0.00 179.45 179.24 2w5e s ASN 510 N -6.57 4.60 -0.11 0.86 0.01 -1.26 -5.09 114.94 107.38 2w5e s ASN 510 Ca -0.19 -3.63 -0.29 0.00 -0.71 0.00 0.00 52.86 48.04 2w5e s ASN 510 Cb -0.00 -1.59 -0.04 0.00 0.41 0.00 0.00 41.25 40.03 2w5e s ASN 510 CO 0.72 -0.12 1.51 -2.84 -1.51 0.00 0.00 177.10 174.86 2w5e s PRO 511 N -1.13 4.17 -0.46 -0.60 0.02 -1.26 -5.00 135.00 130.74 2w5e s PRO 511 Ca 0.23 1.96 -0.17 0.00 0.02 0.00 0.00 61.00 63.04 2w5e s PRO 511 Cb -0.09 -3.91 0.05 0.00 0.02 0.00 0.00 34.50 30.56 2w5e s PRO 511 CO -0.13 -0.83 0.48 0.34 -0.33 0.00 0.00 177.00 176.53 2w5e s ASP 512 N 2.92 6.19 0.00 2.53 2.15 -1.26 -4.95 116.67 124.25 2w5e s ASP 512 Ca 0.67 -0.92 0.24 0.00 0.43 0.00 0.00 52.55 52.96 2w5e s ASP 512 Cb -0.29 -2.23 1.01 0.00 -0.30 0.00 0.00 42.92 41.12 2w5e s ASP 512 CO 0.24 -0.69 1.70 -1.22 -0.17 0.00 0.00 175.17 175.04 2w5e n TYR 513 N 5.66 0.09 0.09 -5.34 4.01 -1.26 -4.25 117.16 116.16 2w5e n TYR 513 Ca -0.08 -0.05 -0.03 0.00 -0.16 0.00 0.00 57.90 57.58 2w5e n TYR 513 Cb 0.46 0.00 0.21 0.00 -0.31 0.00 0.00 39.34 39.70 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 1.72 0.27 -5.12 7.72 4.64 -1.93 -3.38 113.55 117.47 2w5e h SER 514 Ca 0.00 -0.12 -0.12 0.00 -0.47 0.00 0.00 61.79 61.08 2w5e h SER 514 Cb 0.37 -0.08 -0.17 0.00 -0.31 0.00 0.00 62.40 62.22 2w5e h SER 514 CO 0.00 0.67 -0.53 0.00 -0.87 0.00 0.00 176.83 176.10 2w5e s VAL 516 N -3.04 0.23 -0.13 0.00 -7.23 -0.04 -4.12 120.40 106.07 2w5e s VAL 516 Ca -0.01 -1.83 0.03 0.00 -1.81 0.00 0.00 61.98 58.35 2w5e s VAL 516 Cb 0.01 -1.59 0.01 0.00 0.56 0.00 0.00 36.38 35.37 2w5e s VAL 516 CO -0.07 -0.93 -0.22 -0.89 -0.31 0.00 0.00 175.10 172.69 2w5e s THR 517 N -3.92 2.11 -0.17 5.32 2.01 -0.17 -1.75 115.64 119.08 2w5e s THR 517 Ca 0.09 -0.97 -0.03 0.00 0.31 0.00 0.00 61.69 61.09 2w5e s THR 517 Cb 0.08 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.73 2w5e s THR 517 CO -0.08 0.55 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.66 2w5e s VAL 518 N 0.73 3.66 -0.13 3.82 1.01 0.55 -0.46 120.40 129.59 2w5e s VAL 518 Ca -0.09 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.49 2w5e s VAL 518 Cb -0.16 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.62 2w5e s VAL 518 CO 0.00 0.48 -0.21 -0.04 0.00 0.00 0.00 175.10 175.32 2w5e s MET 519 N 0.66 2.89 0.03 2.72 -1.94 -1.16 -1.72 119.30 120.78 2w5e s MET 519 Ca -0.03 -0.81 -0.07 0.00 -1.71 0.00 0.00 55.69 53.07 2w5e s MET 519 Cb -0.15 -2.31 -0.00 0.00 2.01 0.00 0.00 34.83 34.38 2w5e s MET 519 CO 0.02 0.02 0.14 0.00 -0.01 0.00 0.00 175.02 175.20 2w5e s ALA 520 N 0.73 -0.22 -0.30 3.03 0.00 -0.64 -3.66 121.76 120.69 2w5e s ALA 520 Ca -0.10 -0.37 -0.16 0.00 0.00 0.00 0.00 51.96 51.33 2w5e s ALA 520 Cb -0.16 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 2w5e s ALA 520 CO 0.01 -0.31 0.43 0.71 0.00 0.00 0.00 175.76 176.60 2w5e s TYR 521 N -2.35 3.23 -0.30 0.00 2.02 -1.26 -0.78 117.35 117.91 2w5e s TYR 521 Ca -0.07 0.32 -0.01 0.00 -0.37 0.00 0.00 57.07 56.94 2w5e s TYR 521 Cb -0.02 -2.70 0.05 0.00 -0.40 0.00 0.00 41.96 38.89 2w5e s TYR 521 CO -0.03 -0.35 -0.01 0.08 -1.57 0.00 0.00 175.55 173.67 2w5e s VAL 522 N 2.18 2.85 0.00 0.71 1.01 0.56 -4.70 120.40 123.02 2w5e s VAL 522 Ca 0.16 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.68 2w5e s VAL 522 Cb -0.16 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.56 2w5e s VAL 522 CO 0.11 -0.12 0.00 0.59 0.00 0.00 0.00 175.10 175.68 2w5e n ASN 523 N 4.58 0.00 -0.20 3.32 3.02 -1.26 -1.60 115.26 123.12 2w5e n ASN 523 Ca -0.13 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.57 2w5e n ASN 523 Cb 0.43 0.00 0.62 0.00 -0.61 0.00 0.00 39.78 40.22 2w5e n ASN 523 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2w5e n GLU 524 N 14.00 1.01 -4.50 3.52 0.00 -1.26 -4.93 120.64 128.48 2w5e n GLU 524 Ca 0.00 -0.41 -0.33 0.00 0.00 0.00 0.00 57.16 56.43 2w5e n GLU 524 Cb 0.00 -1.49 -0.11 0.00 0.00 0.00 0.00 31.44 29.84 2w5e n GLU 524 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2w5e s ASP 525 N -2.27 4.67 0.18 -1.84 1.01 -0.63 -5.10 116.67 112.70 2w5e s ASP 525 Ca 0.34 -0.09 -0.30 0.00 0.71 0.00 0.00 52.55 53.21 2w5e s ASP 525 Cb 0.21 -1.13 -0.08 0.00 1.01 0.00 0.00 42.92 42.92 2w5e s ASP 525 CO 0.43 0.31 1.26 -0.22 0.21 0.00 0.00 175.17 177.15 2w5e s LEU 526 N -1.22 4.43 -0.12 1.23 2.96 -1.26 -0.32 118.68 124.37 2w5e s LEU 526 Ca 0.16 2.31 -0.01 0.00 -0.22 0.00 0.00 54.13 56.37 2w5e s LEU 526 Cb -0.11 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 43.00 2w5e s LEU 526 CO 0.06 -0.46 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.88 2w5e s VAL 527 N 0.10 0.96 -0.10 1.68 1.01 0.04 -4.90 120.40 119.18 2w5e s VAL 527 Ca 0.55 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.24 2w5e s VAL 527 Cb -0.34 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.00 2w5e s VAL 527 CO 0.37 0.29 -0.21 -0.69 0.00 0.00 0.00 175.10 174.86 2w5e s VAL 528 N 1.72 1.83 0.02 2.92 1.01 -1.26 -1.63 120.40 125.01 2w5e s VAL 528 Ca 0.04 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 2w5e s VAL 528 Cb -0.13 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.66 2w5e s VAL 528 CO -0.08 0.51 0.25 -0.94 0.00 0.00 0.00 175.10 174.84 2w5e s SER 529 N 0.48 -0.08 0.34 3.32 1.04 -0.70 -5.00 113.70 113.11 2w5e s SER 529 Ca -0.16 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.15 2w5e s SER 529 Cb -0.17 0.30 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 2w5e s SER 529 CO 0.06 -0.50 0.51 0.42 0.98 0.00 0.00 173.24 174.72 2w5e s THR 530 N -1.94 4.57 -0.13 2.02 -4.23 -1.26 -0.33 115.64 114.34 2w5e s THR 530 Ca -0.10 -0.75 -0.30 0.00 -1.18 0.00 0.00 61.69 59.36 2w5e s THR 530 Cb -0.04 -3.64 0.12 0.00 1.34 0.00 0.00 72.50 70.28 2w5e s THR 530 CO -0.00 -0.33 0.94 0.00 -0.54 0.00 0.00 174.62 174.69 2w5e s ALA 531 N -2.25 -1.90 0.46 3.99 0.00 -0.72 -4.95 121.76 116.38 2w5e s ALA 531 Ca 0.42 1.52 -0.24 0.00 0.00 0.00 0.00 51.96 53.66 2w5e s ALA 531 Cb -0.10 -0.54 -0.07 0.00 0.00 0.00 0.00 23.12 22.41 2w5e s ALA 531 CO 0.33 -0.34 1.23 0.00 0.00 0.00 0.00 175.76 176.99 2w5e s ALA 532 N -1.23 3.03 0.13 0.00 0.00 -1.26 -0.86 121.76 121.57 2w5e s ALA 532 Ca -0.03 1.08 0.03 0.00 0.00 0.00 0.00 51.96 53.04 2w5e s ALA 532 Cb -0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2w5e s ALA 532 CO 0.02 -0.82 -0.07 0.00 0.00 0.00 0.00 175.76 174.89 2w5e s ALA 533 N -1.42 1.27 0.01 0.00 0.00 -0.35 -4.12 121.76 117.14 2w5e s ALA 533 Ca 0.63 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 51.14 2w5e s ALA 533 Cb -0.33 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 2w5e s ALA 533 CO 0.41 -0.18 -0.05 -1.64 0.00 0.00 0.00 175.76 174.29 2w5e s MET 534 N -3.81 0.42 -0.19 0.00 -1.94 -0.03 -4.47 119.30 109.28 2w5e s MET 534 Ca 0.16 -0.35 -0.10 0.00 -1.71 0.00 0.00 55.69 53.69 2w5e s MET 534 Cb 0.04 -0.33 -0.05 0.00 2.01 0.00 0.00 34.83 36.50 2w5e s MET 534 CO -0.01 0.08 0.15 0.08 -0.01 0.00 0.00 175.02 175.31 2w5e s VAL 535 N -0.51 5.40 -0.48 -6.03 1.01 -1.26 -0.69 120.40 117.85 2w5e s VAL 535 Ca -0.02 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.21 2w5e s VAL 535 Cb -0.04 -3.48 0.15 0.00 0.00 0.00 0.00 36.38 33.01 2w5e s VAL 535 CO -0.00 0.44 0.32 -0.31 0.00 0.00 0.00 175.10 175.55 2w5e s TYR 536 N 0.30 2.04 0.00 5.22 2.02 0.83 -5.01 117.35 122.76 2w5e s TYR 536 Ca 0.09 -2.55 0.00 0.00 -0.37 0.00 0.00 57.07 54.24 2w5e s TYR 536 Cb -0.11 -1.78 0.00 0.00 -0.40 0.00 0.00 41.96 39.67 2w5e s TYR 536 CO -0.01 -0.75 0.00 0.41 -1.57 0.00 0.00 175.55 173.63 2w5e n GLY 537 N 3.07 2.51 1.00 0.71 0.00 -1.26 -2.33 105.19 108.88 2w5e n GLY 537 Ca 0.16 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 9.52 2.92 -4.47 1.61 3.02 -1.26 -4.93 115.26 121.67 2w5e n ASN 538 Ca 0.00 -1.97 -0.33 0.00 -0.03 0.00 0.00 54.58 52.25 2w5e n ASN 538 Cb 0.00 -0.33 -0.13 0.00 -0.61 0.00 0.00 39.78 38.71 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 -1.34 3.44 -0.17 3.41 2.01 -0.99 -0.95 115.64 121.06 2w5e s THR 539 Ca 0.37 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 61.79 2w5e s THR 539 Cb 0.20 -2.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 2w5e s THR 539 CO 0.26 0.54 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.47 2w5e s LEU 540 N -0.04 3.17 0.01 4.42 2.96 -0.11 -0.12 118.68 128.98 2w5e s LEU 540 Ca -0.01 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 2w5e s LEU 540 Cb -0.14 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 2w5e s LEU 540 CO 0.03 0.13 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.61 2w5e s SER 541 N 0.58 4.07 -0.10 3.68 0.01 0.14 -0.81 113.70 121.26 2w5e s SER 541 Ca -0.03 -0.30 -0.30 0.00 1.31 0.00 0.00 55.95 56.63 2w5e s SER 541 Cb -0.14 -0.79 0.10 0.00 0.21 0.00 0.00 66.02 65.40 2w5e s SER 541 CO 0.03 0.28 0.85 -0.72 0.41 0.00 0.00 173.24 174.09 2w5e s TYR 542 N -0.89 -0.50 0.36 2.43 -0.85 -0.89 -0.86 117.35 116.15 2w5e s TYR 542 Ca 0.15 0.83 -0.28 0.00 -0.52 0.00 0.00 57.07 57.25 2w5e s TYR 542 Cb -0.11 0.44 -0.10 0.00 0.38 0.00 0.00 41.96 42.57 2w5e s TYR 542 CO 0.05 -0.47 1.30 0.00 -1.52 0.00 0.00 175.55 174.90 2w5e s ALA 543 N -1.25 3.40 0.20 9.51 0.00 -1.26 0.45 121.76 132.82 2w5e s ALA 543 Ca -0.05 1.23 0.10 0.00 0.00 0.00 0.00 51.96 53.24 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 0.05 -0.69 -0.20 0.14 0.00 0.00 0.00 175.76 175.06 2w5e s VAL 544 N -1.19 2.09 -0.66 0.00 -7.23 0.54 -4.75 120.40 109.20 2w5e s VAL 544 Ca 0.52 -2.07 0.24 0.00 -1.81 0.00 0.00 61.98 58.85 2w5e s VAL 544 Cb -0.39 -2.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.51 2w5e s VAL 544 CO 0.51 -0.30 1.22 0.54 -0.31 0.00 0.00 175.10 176.76 2w5e n ARG 545 N 0.05 0.27 -4.10 4.82 5.12 -1.26 -4.78 116.66 116.78 2w5e n ARG 545 Ca -0.11 0.05 -0.13 0.00 -1.93 0.00 0.00 57.85 55.73 2w5e n ARG 545 Cb 0.58 -1.64 -0.11 0.00 -1.16 0.00 0.00 32.46 30.13 2w5e n ARG 545 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2w5e s THR 546 N -3.16 0.64 -0.63 0.55 -1.32 -1.26 -5.01 115.64 105.44 2w5e s THR 546 Ca 0.06 -1.30 0.24 0.00 -1.21 0.00 0.00 61.69 59.48 2w5e s THR 546 Cb 0.14 -0.90 0.10 0.00 -1.51 0.00 0.00 72.50 70.33 2w5e s THR 546 CO 0.75 -0.48 1.40 1.56 -2.21 0.00 0.00 174.62 175.64 2w5e h GLN 547 N 4.12 0.00 0.00 7.08 4.20 -1.90 -3.46 115.11 125.15 2w5e h GLN 547 Ca -0.36 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.02 2w5e h GLN 547 Cb 1.19 0.00 0.18 0.00 0.30 0.00 0.00 27.48 29.16 2w5e h GLN 547 CO 0.46 0.00 -0.08 -0.25 -0.67 0.00 0.00 178.83 178.29 2w5e n ASP 548 N -2.20 -3.38 -4.56 1.46 8.00 -1.26 -4.86 116.55 109.74 2w5e n ASP 548 Ca 0.04 -0.85 -0.39 0.00 0.71 0.00 0.00 54.79 54.29 2w5e n ASP 548 Cb 0.45 -0.87 -0.03 0.00 -0.02 0.00 0.00 41.12 40.65 2w5e n ASP 548 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2w5e s GLY 549 N -3.30 0.15 0.00 0.44 0.00 -1.26 -4.80 107.32 98.54 2w5e s GLY 549 Ca 0.59 -0.22 0.09 0.00 0.00 0.00 0.00 44.72 45.18 2w5e s GLY 549 CO 0.49 3.61 1.11 1.03 0.00 0.00 0.00 173.10 179.34 2w5e n MET 550 N 8.98 2.25 -1.63 2.90 2.81 -1.26 -4.47 117.12 126.68 2w5e n MET 550 Ca 0.26 -1.74 -0.48 0.00 -1.81 0.00 0.00 57.70 53.93 2w5e n MET 550 Cb 0.51 -1.21 -0.04 0.00 -0.71 0.00 0.00 33.22 31.77 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 0.40 2.33 0.00 7.83 7.64 -1.26 -1.69 113.62 128.86 2w5e n SER 551 Ca 0.09 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.08 2w5e n SER 551 Cb 0.36 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 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 2.73 2.46 3.69 0.23 0.00 -0.43 -1.20 105.19 112.65 2w5e n GLY 552 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 2w5e n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w5e n ALA 553 N -1.27 1.43 -1.97 4.61 0.00 -0.68 -4.50 120.51 118.13 2w5e n ALA 553 Ca 0.00 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 53.43 2w5e n ALA 553 Cb 0.00 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.10 2w5e n ALA 553 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2w5e s PRO 554 N -0.32 4.41 -0.34 0.00 0.04 -1.24 -0.39 135.00 137.16 2w5e s PRO 554 Ca 0.68 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 63.66 2w5e s PRO 554 Cb -0.62 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 30.75 2w5e s PRO 554 CO 0.48 -0.19 0.16 0.08 0.04 0.00 0.00 177.00 177.57 2w5e s VAL 555 N -0.13 4.38 0.25 -0.36 1.01 0.46 -2.97 120.40 123.03 2w5e s VAL 555 Ca 0.54 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.86 2w5e s VAL 555 Cb -0.36 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2w5e s VAL 555 CO 0.40 -0.08 0.21 0.00 0.00 0.00 0.00 175.10 175.63 2w5e n ASP 557 N -1.19 -0.23 0.05 0.00 5.68 0.38 -1.00 116.55 120.24 2w5e n ASP 557 Ca -0.08 -1.21 0.07 0.00 -0.50 0.00 0.00 54.79 53.07 2w5e n ASP 557 Cb 0.58 -0.58 0.31 0.00 -1.14 0.00 0.00 41.12 40.29 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 -2.75 0.06 -0.23 0.11 2.85 -1.26 -1.84 118.16 115.10 2w5e n LYS 558 Ca 0.09 0.38 0.07 0.00 -1.05 0.00 0.00 58.31 57.81 2w5e n LYS 558 Cb 0.33 -1.63 0.19 0.00 -0.65 0.00 0.00 35.03 33.27 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 -1.74 0.60 -1.01 5.58 4.01 -1.26 -0.21 117.16 123.12 2w5e n TYR 559 Ca 0.02 -0.51 -0.00 0.00 -0.16 0.00 0.00 57.90 57.24 2w5e n TYR 559 Cb 0.13 -0.03 -0.00 0.00 -0.31 0.00 0.00 39.34 39.13 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 -1.42 4.00 0.08 0.00 1.81 -1.26 -4.66 118.95 117.50 2w5e s ARG 561 Ca 0.00 0.36 -0.31 0.00 -1.72 0.00 0.00 55.73 54.06 2w5e s ARG 561 Cb 0.00 -3.28 -0.07 0.00 -0.45 0.00 0.00 34.95 31.15 2w5e s ARG 561 CO 0.00 0.56 1.44 0.08 -0.68 0.00 0.00 175.30 176.70 2w5e s VAL 562 N -0.62 3.34 -0.17 3.52 1.01 -0.07 -0.47 120.40 126.94 2w5e s VAL 562 Ca 0.23 0.89 0.12 0.00 0.00 0.00 0.00 61.98 63.22 2w5e s VAL 562 Cb -0.16 -3.57 -0.19 0.00 0.00 0.00 0.00 36.38 32.46 2w5e s VAL 562 CO 0.11 0.04 0.02 0.18 0.00 0.00 0.00 175.10 175.45 2w5e n LEU 563 N 4.56 0.47 -3.74 3.92 4.77 0.11 -3.50 117.00 123.59 2w5e n LEU 563 Ca 0.13 -0.02 -0.07 0.00 -0.03 0.00 0.00 56.01 56.02 2w5e n LEU 563 Cb 0.42 0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.72 2w5e n LEU 563 CO 0.59 0.47 0.53 0.00 -1.33 0.00 0.00 177.39 177.65 2w5e s ALA 564 N -2.40 -1.41 -0.19 -1.18 0.00 -0.89 -1.37 121.76 114.32 2w5e s ALA 564 Ca -0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 51.96 51.84 2w5e s ALA 564 Cb 0.05 0.79 0.01 0.00 0.00 0.00 0.00 23.12 23.97 2w5e s ALA 564 CO 0.64 -0.98 -0.16 0.08 0.00 0.00 0.00 175.76 175.34 2w5e s VAL 565 N -3.71 2.37 0.21 0.00 1.01 -0.52 -0.40 120.40 119.35 2w5e s VAL 565 Ca 0.09 -0.84 -0.32 0.00 0.00 0.00 0.00 61.98 60.91 2w5e s VAL 565 Cb -0.04 -2.02 -0.12 0.00 0.00 0.00 0.00 36.38 34.20 2w5e s VAL 565 CO 0.02 0.51 1.71 -2.28 0.00 0.00 0.00 175.10 175.05 2w5e s HIS 566 N 1.33 2.92 -0.11 5.22 2.46 0.48 -1.93 115.29 125.66 2w5e s HIS 566 Ca 0.05 0.37 -0.06 0.00 0.47 0.00 0.00 55.06 55.90 2w5e s HIS 566 Cb -0.13 -4.12 -0.05 0.00 -0.13 0.00 0.00 32.58 28.15 2w5e s HIS 566 CO -0.11 -4.23 -0.14 1.04 -2.47 0.00 0.00 174.74 168.83 2w5e n GLN 567 N 3.96 0.24 -3.89 2.88 1.13 0.37 -1.32 117.38 120.75 2w5e n GLN 567 Ca 0.16 0.10 -0.09 0.00 -1.94 0.00 0.00 57.00 55.23 2w5e n GLN 567 Cb 0.35 -0.90 -0.02 0.00 0.11 0.00 0.00 30.24 29.79 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 -2.21 0.00 0.01 5.09 -1.32 -0.93 -4.74 115.64 111.53 2w5e s THR 568 Ca -0.15 -1.13 -0.05 0.00 -1.21 0.00 0.00 61.69 59.14 2w5e s THR 568 Cb 0.06 -2.33 -0.01 0.00 -1.51 0.00 0.00 72.50 68.71 2w5e s THR 568 CO 0.20 0.00 0.08 0.54 -2.21 0.00 0.00 174.62 173.22 2w5e s ASN 569 N -3.01 0.10 -0.35 8.08 2.20 -1.26 -0.47 114.94 120.24 2w5e s ASN 569 Ca 0.16 -0.32 0.04 0.00 -0.94 0.00 0.00 52.86 51.80 2w5e s ASN 569 Cb -0.04 0.17 0.10 0.00 -2.00 0.00 0.00 41.25 39.48 2w5e s ASN 569 CO 0.10 -0.35 0.07 0.42 -2.94 0.00 0.00 177.10 174.40 2w5e s THR 570 N -1.43 2.18 0.00 0.54 -4.23 -0.49 -5.00 115.64 107.21 2w5e s THR 570 Ca -0.15 -2.34 0.00 0.00 -1.18 0.00 0.00 61.69 58.02 2w5e s THR 570 Cb -0.08 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.15 2w5e s THR 570 CO 0.01 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 174.07 2w5e n GLY 571 N 4.22 2.43 1.84 3.99 0.00 -1.26 -2.78 105.19 113.63 2w5e n GLY 571 Ca 0.04 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.79 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 12.92 2.07 -3.73 1.61 4.01 -1.26 -4.46 117.16 128.31 2w5e n TYR 572 Ca 0.00 -0.81 -0.37 0.00 -0.16 0.00 0.00 57.90 56.56 2w5e n TYR 572 Cb 0.00 -0.53 -0.12 0.00 -0.31 0.00 0.00 39.34 38.38 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 -2.82 4.29 0.29 -0.72 2.01 -1.12 -0.34 115.64 117.24 2w5e s THR 573 Ca 0.54 -0.40 -0.04 0.00 0.31 0.00 0.00 61.69 62.10 2w5e s THR 573 Cb 0.42 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.76 2w5e s THR 573 CO 0.15 0.18 0.55 -0.83 -0.69 0.00 0.00 174.62 173.98 2w5e s GLY 574 N 1.58 1.78 -0.02 4.40 0.00 0.17 -1.39 107.32 113.85 2w5e s GLY 574 Ca 0.05 -0.62 0.01 0.00 0.00 0.00 0.00 44.72 44.16 2w5e s GLY 574 CO 0.04 -0.52 -0.05 -0.32 0.00 0.00 0.00 173.10 172.25 2w5e s GLY 575 N -3.29 0.34 0.09 0.20 0.00 0.38 -2.09 107.32 102.96 2w5e s GLY 575 Ca 0.43 -0.15 0.04 0.00 0.00 0.00 0.00 44.72 45.04 2w5e s GLY 575 CO 0.31 0.07 -0.11 0.00 0.00 0.00 0.00 173.10 173.38 2w5e s ALA 576 N 0.31 1.10 -0.22 3.20 0.00 0.01 -0.47 121.76 125.69 2w5e s ALA 576 Ca -0.04 -1.15 -0.14 0.00 0.00 0.00 0.00 51.96 50.63 2w5e s ALA 576 Cb -0.07 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2w5e s ALA 576 CO -0.00 -0.01 0.34 0.08 0.00 0.00 0.00 175.76 176.17 2w5e s VAL 577 N -2.24 5.24 0.32 0.00 1.01 -0.81 -0.93 120.40 122.99 2w5e s VAL 577 Ca 0.04 0.56 -0.29 0.00 0.00 0.00 0.00 61.98 62.29 2w5e s VAL 577 Cb -0.04 -3.67 -0.11 0.00 0.00 0.00 0.00 36.38 32.56 2w5e s VAL 577 CO 0.00 0.26 1.58 -0.63 0.00 0.00 0.00 175.10 176.32 2w5e s ILE 578 N 1.33 2.01 0.02 2.22 1.09 -0.12 -1.44 121.20 126.31 2w5e s ILE 578 Ca 0.16 0.01 0.05 0.00 -1.10 0.00 0.00 60.65 59.77 2w5e s ILE 578 Cb -0.15 -3.00 -0.03 0.00 -1.06 0.00 0.00 42.46 38.22 2w5e s ILE 578 CO 0.07 0.00 -0.13 -0.51 -0.10 0.00 0.00 174.94 174.27 2w5e s ILE 579 N -0.31 3.15 0.15 2.92 2.07 -0.47 -4.91 121.20 123.79 2w5e s ILE 579 Ca 0.61 -0.99 0.00 0.00 -1.41 0.00 0.00 60.65 58.86 2w5e s ILE 579 Cb -0.48 -2.34 -0.04 0.00 0.13 0.00 0.00 42.46 39.73 2w5e s ILE 579 CO 0.53 0.38 0.03 1.51 -1.91 0.00 0.00 174.94 175.48 2w5e s ASP 580 N -1.38 0.68 0.62 4.50 1.47 -1.26 -4.76 116.67 116.54 2w5e s ASP 580 Ca 0.15 -1.19 0.32 0.00 1.18 0.00 0.00 52.55 53.01 2w5e s ASP 580 Cb -0.11 0.22 1.79 0.00 -0.34 0.00 0.00 42.92 44.49 2w5e s ASP 580 CO 0.06 -0.66 2.10 -0.65 0.68 0.00 0.00 175.17 176.69 2w5e h PRO 581 N 2.80 0.00 0.00 2.11 0.11 -2.01 -1.21 132.00 133.81 2w5e h PRO 581 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 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 0.61 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.65 2w5e n THR 582 N -3.43 0.33 0.22 -1.15 -2.24 -1.26 -3.17 114.28 103.58 2w5e n THR 582 Ca 0.00 -0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.87 2w5e n THR 582 Cb 0.31 -0.63 0.30 0.00 -2.10 0.00 0.00 70.33 68.21 2w5e n THR 582 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2w5e h ASP 583 N 0.00 0.00 0.54 3.42 3.32 -1.64 -3.32 116.42 118.75 2w5e h ASP 583 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2w5e h ASP 583 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 2w5e h ASP 583 CO 0.00 0.09 -0.20 -0.26 -1.72 0.00 0.00 179.24 177.15 2w5e h PHE 584 N 0.00 0.00 -3.74 4.55 -1.00 -1.71 -3.45 116.94 111.59 2w5e h PHE 584 Ca -0.00 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.62 2w5e h PHE 584 Cb 0.92 0.00 -0.21 0.00 3.61 0.00 0.00 35.95 40.26 2w5e h PHE 584 CO 0.00 0.20 -0.60 -1.01 -1.61 0.00 0.00 178.31 175.29 2w5e s HIS 585 N -4.02 0.14 -2.00 -0.55 3.76 -1.25 -4.99 115.29 106.39 2w5e s HIS 585 Ca -0.02 -0.31 0.31 0.00 -0.15 0.00 0.00 55.06 54.90 2w5e s HIS 585 Cb 0.12 -0.11 1.88 0.00 1.11 0.00 0.00 32.58 35.58 2w5e s HIS 585 CO 0.63 -0.23 2.20 -0.35 -0.85 0.00 0.00 174.74 176.14