#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hrh s GLN 428 N 0.00 1.60 -0.10 -3.48 -1.52 -1.26 -5.06 119.66 109.83 1hrh s GLN 428 Ca 0.00 -1.42 -0.03 0.00 -1.95 0.00 0.00 55.36 51.97 1hrh s GLN 428 Cb 0.00 -1.93 -0.03 0.00 -0.22 0.00 0.00 33.01 30.83 1hrh s GLN 428 CO 0.00 0.42 0.01 -0.51 -0.25 0.00 0.00 175.29 174.96 1hrh s LEU 429 N -2.51 3.61 0.61 2.90 1.02 -1.26 -4.63 118.68 118.41 1hrh s LEU 429 Ca 0.20 0.13 -0.17 0.00 0.02 0.00 0.00 54.13 54.30 1hrh s LEU 429 Cb -0.09 -1.84 -0.02 0.00 0.02 0.00 0.00 46.19 44.26 1hrh s LEU 429 CO 0.10 0.34 1.15 -1.61 0.02 0.00 0.00 176.35 176.35 1hrh s GLU 430 N -0.66 2.96 0.12 1.70 0.41 0.18 -4.97 118.70 118.44 1hrh s GLU 430 Ca 0.11 1.62 0.24 0.00 -0.41 0.00 0.00 54.97 56.52 1hrh s GLU 430 Cb -0.12 -1.95 0.33 0.00 -1.78 0.00 0.00 34.13 30.61 1hrh s GLU 430 CO 0.02 -1.17 1.31 1.57 -0.49 0.00 0.00 175.26 176.50 1hrh h LYS 431 N 0.60 0.00 -3.32 1.61 2.10 -1.99 -3.44 116.57 112.13 1hrh h LYS 431 Ca -0.49 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.06 1hrh h LYS 431 Cb 1.27 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 32.43 1hrh h LYS 431 CO 0.55 0.00 -0.28 -1.83 -2.00 0.00 0.00 179.45 175.89 1hrh s GLU 432 N -3.18 0.77 0.35 0.07 -1.05 -1.26 -5.14 118.70 109.26 1hrh s GLU 432 Ca 0.06 -0.49 -0.25 0.00 -0.15 0.00 0.00 54.97 54.13 1hrh s GLU 432 Cb 0.13 0.33 -0.14 0.00 -0.44 0.00 0.00 34.13 34.02 1hrh s GLU 432 CO 0.72 -0.24 0.72 -2.30 0.95 0.00 0.00 175.26 175.11 1hrh n PRO 433 N 0.67 0.78 -2.91 -4.83 -0.02 -1.26 -4.93 135.00 122.51 1hrh n PRO 433 Ca -0.19 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.15 1hrh n PRO 433 Cb 0.59 -1.57 -0.05 0.00 -0.02 0.00 0.00 33.50 32.45 1hrh n PRO 433 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1hrh s ILE 434 N -1.26 4.71 0.20 4.25 1.01 -1.26 -5.03 121.20 123.83 1hrh s ILE 434 Ca 0.62 1.06 -0.30 0.00 0.00 0.00 0.00 60.65 62.03 1hrh s ILE 434 Cb -0.68 -4.22 -0.08 0.00 0.01 0.00 0.00 42.46 37.49 1hrh s ILE 434 CO 0.58 -0.40 1.13 -0.69 0.00 0.00 0.00 174.94 175.57 1hrh s VAL 435 N 3.15 3.69 0.00 2.92 1.01 -1.26 -3.07 120.40 126.84 1hrh s VAL 435 Ca 0.33 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.81 1hrh s VAL 435 Cb -0.13 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1hrh s VAL 435 CO 0.16 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1hrh n GLY 436 N 1.93 2.62 3.75 4.51 0.00 -1.26 -5.03 105.19 111.70 1hrh n GLY 436 Ca 0.02 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 1hrh n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hrh s ALA 437 N -0.92 2.77 0.25 4.61 0.00 -1.17 -4.96 121.76 122.34 1hrh s ALA 437 Ca 0.00 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 1hrh s ALA 437 Cb 0.00 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.52 1hrh s ALA 437 CO 0.00 -1.20 1.25 -2.00 0.00 0.00 0.00 175.76 173.81 1hrh s GLU 438 N -2.97 4.44 -0.18 0.00 2.12 -1.26 -4.86 118.70 116.00 1hrh s GLU 438 Ca 0.72 2.02 -0.04 0.00 0.36 0.00 0.00 54.97 58.03 1hrh s GLU 438 Cb -0.36 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 30.84 1hrh s GLU 438 CO 0.42 -0.12 -0.03 0.99 -0.54 0.00 0.00 175.26 175.98 1hrh s THR 439 N -0.51 3.79 -0.23 -1.70 2.01 -1.26 -3.25 115.64 114.49 1hrh s THR 439 Ca 0.52 -0.38 -0.09 0.00 0.31 0.00 0.00 61.69 62.05 1hrh s THR 439 Cb -0.36 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 1hrh s THR 439 CO 0.43 0.46 0.12 -0.36 -0.69 0.00 0.00 174.62 174.58 1hrh s PHE 440 N 0.72 3.23 -0.82 4.92 0.40 -0.91 -1.37 117.98 124.15 1hrh s PHE 440 Ca -0.01 0.02 -0.10 0.00 -0.60 0.00 0.00 56.93 56.24 1hrh s PHE 440 Cb -0.14 -2.23 0.21 0.00 0.51 0.00 0.00 43.02 41.37 1hrh s PHE 440 CO 0.02 -0.04 0.74 0.71 0.70 0.00 0.00 175.22 177.34 1hrh s TYR 441 N 1.12 3.75 0.46 0.36 2.02 0.10 -1.53 117.35 123.63 1hrh s TYR 441 Ca 0.06 -2.29 -0.21 0.00 -0.37 0.00 0.00 57.07 54.26 1hrh s TYR 441 Cb -0.14 -3.65 -0.10 0.00 -0.40 0.00 0.00 41.96 37.67 1hrh s TYR 441 CO 0.04 -0.94 0.99 0.08 -1.57 0.00 0.00 175.55 174.16 1hrh s VAL 442 N -0.14 4.09 0.25 0.71 1.01 -1.16 -3.18 120.40 121.98 1hrh s VAL 442 Ca 0.20 1.30 -0.19 0.00 0.00 0.00 0.00 61.98 63.28 1hrh s VAL 442 Cb -0.12 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.76 1hrh s VAL 442 CO -0.08 -0.29 0.64 -0.62 0.00 0.00 0.00 175.10 174.76 1hrh s ASP 443 N -2.09 -0.27 -0.18 3.32 3.68 -0.86 -4.49 116.67 115.77 1hrh s ASP 443 Ca 0.65 -0.57 -0.28 0.00 2.13 0.00 0.00 52.55 54.47 1hrh s ASP 443 Cb -0.13 0.67 0.10 0.00 -1.45 0.00 0.00 42.92 42.12 1hrh s ASP 443 CO 0.17 -1.23 0.88 -0.83 0.13 0.00 0.00 175.17 174.29 1hrh s GLY 444 N -2.91 -0.36 0.03 2.66 0.00 -1.26 -1.38 107.32 104.10 1hrh s GLY 444 Ca 0.11 2.01 -0.03 0.00 0.00 0.00 0.00 44.72 46.82 1hrh s GLY 444 CO 0.04 1.32 0.04 0.00 0.00 0.00 0.00 173.10 174.50 1hrh s ALA 445 N -0.57 0.03 0.05 3.20 0.00 0.02 -4.59 121.76 119.91 1hrh s ALA 445 Ca -0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 1hrh s ALA 445 Cb -0.02 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 1hrh s ALA 445 CO 0.02 -0.25 0.01 0.00 0.00 0.00 0.00 175.76 175.54 1hrh s ALA 446 N -2.18 0.31 -0.13 0.00 0.00 -1.26 -1.69 121.76 116.81 1hrh s ALA 446 Ca -0.09 -1.00 -0.15 0.00 0.00 0.00 0.00 51.96 50.72 1hrh s ALA 446 Cb -0.04 0.29 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 1hrh s ALA 446 CO -0.03 -0.37 0.36 1.21 0.00 0.00 0.00 175.76 176.93 1hrh s ASN 447 N -2.70 6.54 0.02 0.00 3.84 0.13 -4.84 114.94 117.93 1hrh s ASN 447 Ca 0.03 0.64 -0.26 0.00 0.21 0.00 0.00 52.86 53.49 1hrh s ASN 447 Cb 0.05 -2.22 -0.16 0.00 -0.55 0.00 0.00 41.25 38.37 1hrh s ASN 447 CO -0.09 0.09 1.26 0.08 -2.79 0.00 0.00 177.10 175.65 1hrh h ARG 448 N 6.52 -0.56 0.39 0.43 -0.00 -1.94 -0.51 114.38 118.71 1hrh h ARG 448 Ca -0.42 0.04 -0.02 0.00 -0.00 0.00 0.00 59.98 59.58 1hrh h ARG 448 Cb 1.17 0.13 0.00 0.00 -0.00 0.00 0.00 29.97 31.28 1hrh h ARG 448 CO 0.74 -0.26 -0.19 1.05 -0.00 0.00 0.00 179.97 181.32 1hrh h GLU 449 N -0.87 -0.50 0.00 0.08 9.09 -1.98 -3.28 114.58 117.12 1hrh h GLU 449 Ca -0.06 0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.38 1hrh h GLU 449 Cb 0.56 0.11 0.00 0.00 -1.65 0.00 0.00 28.75 27.78 1hrh h GLU 449 CO 0.10 -0.32 0.00 1.79 0.05 0.00 0.00 179.01 180.62 1hrh h THR 450 N -1.13 0.00 -1.36 -1.06 1.35 -1.99 -3.46 112.91 105.26 1hrh h THR 450 Ca -0.05 -0.24 -0.41 0.00 -0.55 0.00 0.00 66.41 65.16 1hrh h THR 450 Cb 0.41 1.13 -0.13 0.00 -1.73 0.00 0.00 68.15 67.82 1hrh h THR 450 CO 0.09 0.00 -0.40 1.17 -0.25 0.00 0.00 175.52 176.12 1hrh n LYS 451 N -2.85 -1.45 -4.25 4.72 0.00 -0.20 -4.66 118.16 109.47 1hrh n LYS 451 Ca -0.01 1.16 -0.25 0.00 0.00 0.00 0.00 58.31 59.22 1hrh n LYS 451 Cb 0.18 -5.57 -0.08 0.00 0.00 0.00 0.00 35.03 29.56 1hrh n LYS 451 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1hrh s LEU 452 N -4.84 3.23 0.00 3.14 1.02 -1.24 0.15 118.68 120.14 1hrh s LEU 452 Ca 0.00 -0.52 -0.01 0.00 0.02 0.00 0.00 54.13 53.61 1hrh s LEU 452 Cb 0.00 -1.83 0.01 0.00 0.02 0.00 0.00 46.19 44.39 1hrh s LEU 452 CO 0.00 0.05 0.14 0.61 0.02 0.00 0.00 176.35 177.17 1hrh n GLY 453 N -0.47 2.55 2.92 -3.19 0.00 0.14 0.21 105.19 107.34 1hrh n GLY 453 Ca -0.08 -1.33 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 1hrh n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hrh s LYS 454 N -2.14 0.22 -0.08 1.61 1.02 -0.68 0.20 119.74 119.89 1hrh s LYS 454 Ca 0.06 -0.13 0.01 0.00 0.02 0.00 0.00 55.97 55.93 1hrh s LYS 454 Cb -0.01 -0.19 0.02 0.00 -0.52 0.00 0.00 37.83 37.13 1hrh s LYS 454 CO 0.04 0.05 -0.09 0.00 -0.92 0.00 0.00 175.35 174.44 1hrh s ALA 455 N -0.15 1.18 0.00 5.17 0.00 -0.87 -0.80 121.76 126.29 1hrh s ALA 455 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1hrh s ALA 455 Cb -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1hrh s ALA 455 CO -0.00 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1hrh n GLY 456 N 4.31 3.29 3.73 0.00 0.00 -0.48 -2.28 105.19 113.76 1hrh n GLY 456 Ca -0.19 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 1hrh n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1hrh s TYR 457 N -3.95 0.37 -0.23 1.61 -0.85 0.41 -2.03 117.35 112.68 1hrh s TYR 457 Ca 0.00 -0.95 -0.11 0.00 -0.52 0.00 0.00 57.07 55.49 1hrh s TYR 457 Cb 0.00 0.64 0.08 0.00 0.38 0.00 0.00 41.96 43.06 1hrh s TYR 457 CO 0.00 -1.50 0.53 0.08 -1.52 0.00 0.00 175.55 173.14 1hrh s VAL 458 N -2.36 -0.32 0.36 -3.49 1.01 -1.19 -2.62 120.40 111.78 1hrh s VAL 458 Ca 0.19 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.32 1hrh s VAL 458 Cb -0.04 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1hrh s VAL 458 CO 0.14 0.03 0.18 0.42 0.00 0.00 0.00 175.10 175.87 1hrh s THR 459 N 2.00 2.91 0.11 3.92 -4.23 -0.41 0.02 115.64 119.95 1hrh s THR 459 Ca -0.07 -1.64 0.32 0.00 -1.18 0.00 0.00 61.69 59.13 1hrh s THR 459 Cb -0.09 -3.00 0.34 0.00 1.34 0.00 0.00 72.50 71.09 1hrh s THR 459 CO -0.16 -0.13 1.98 -0.55 -0.54 0.00 0.00 174.62 175.22 1hrh h ASN 460 N 1.45 0.00 -0.03 3.99 7.08 -1.57 -1.24 115.58 125.27 1hrh h ASN 460 Ca -0.43 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.79 1hrh h ASN 460 Cb 1.25 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.49 1hrh h ASN 460 CO 0.63 0.00 0.00 0.29 -2.08 0.00 0.00 177.43 176.27 1hrh n LYS 461 N -2.71 1.35 -0.56 4.14 5.02 -1.26 -4.90 118.16 119.24 1hrh n LYS 461 Ca -0.01 -0.52 0.00 0.00 -2.02 0.00 0.00 58.31 55.77 1hrh n LYS 461 Cb 0.14 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1hrh n LYS 461 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hrh n GLY 462 N 1.05 0.77 3.77 0.72 0.00 -0.47 -5.05 105.19 105.98 1hrh n GLY 462 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1hrh n GLY 462 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1hrh s ARG 463 N -0.44 4.33 0.13 1.61 3.52 -1.26 -4.88 118.95 121.97 1hrh s ARG 463 Ca 0.00 1.90 -0.11 0.00 -0.13 0.00 0.00 55.73 57.39 1hrh s ARG 463 Cb 0.00 -2.94 0.00 0.00 -1.56 0.00 0.00 34.95 30.46 1hrh s ARG 463 CO 0.00 -0.10 0.28 -1.14 -0.81 0.00 0.00 175.30 173.54 1hrh s GLN 464 N -1.90 1.03 -0.29 5.12 0.74 -1.26 -1.28 119.66 121.82 1hrh s GLN 464 Ca 0.51 -0.99 -0.22 0.00 0.05 0.00 0.00 55.36 54.71 1hrh s GLN 464 Cb -0.33 0.39 0.14 0.00 1.10 0.00 0.00 33.01 34.31 1hrh s GLN 464 CO 0.42 -0.37 1.07 0.21 -0.55 0.00 0.00 175.29 176.07 1hrh s LYS 465 N -3.89 0.40 -0.04 1.67 2.20 -1.08 -4.97 119.74 114.04 1hrh s LYS 465 Ca 0.09 0.54 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 1hrh s LYS 465 Cb 0.03 0.16 0.03 0.00 -1.51 0.00 0.00 37.83 36.54 1hrh s LYS 465 CO -0.07 -0.06 -0.01 0.08 -0.36 0.00 0.00 175.35 174.94 1hrh s VAL 466 N 0.57 0.26 -0.19 4.02 1.01 -1.26 -0.44 120.40 124.37 1hrh s VAL 466 Ca -0.00 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 1hrh s VAL 466 Cb -0.04 -0.35 0.06 0.00 0.00 0.00 0.00 36.38 36.04 1hrh s VAL 466 CO -0.10 0.17 0.04 -0.69 0.00 0.00 0.00 175.10 174.52 1hrh s VAL 467 N 1.09 0.50 0.12 2.92 1.01 -0.97 -4.99 120.40 120.07 1hrh s VAL 467 Ca -0.09 -0.53 -0.31 0.00 0.00 0.00 0.00 61.98 61.06 1hrh s VAL 467 Cb -0.14 -1.00 -0.07 0.00 0.00 0.00 0.00 36.38 35.17 1hrh s VAL 467 CO -0.02 -0.20 1.27 -2.16 0.00 0.00 0.00 175.10 174.00 1hrh s PRO 468 N 1.87 4.40 0.06 2.72 0.04 -1.26 -2.05 135.00 140.79 1hrh s PRO 468 Ca -0.01 1.92 0.05 0.00 0.04 0.00 0.00 61.00 62.99 1hrh s PRO 468 Cb -0.17 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 1hrh s PRO 468 CO -0.08 -0.28 -0.03 -0.51 0.04 0.00 0.00 177.00 176.14 1hrh s LEU 469 N 0.71 3.33 -0.19 -3.56 1.43 0.53 -4.95 118.68 115.98 1hrh s LEU 469 Ca 0.59 -0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 53.44 1hrh s LEU 469 Cb -0.33 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 1hrh s LEU 469 CO 0.32 0.21 0.04 0.28 0.23 0.00 0.00 176.35 177.42 1hrh s THR 470 N -1.20 4.41 -0.54 5.49 -1.32 -1.26 0.24 115.64 121.46 1hrh s THR 470 Ca 0.22 -0.16 -0.23 0.00 -1.21 0.00 0.00 61.69 60.31 1hrh s THR 470 Cb -0.11 -3.00 0.03 0.00 -1.51 0.00 0.00 72.50 67.91 1hrh s THR 470 CO 0.14 0.44 0.64 -3.20 -2.21 0.00 0.00 174.62 170.43 1hrh n ASN 471 N 3.92 -6.18 -1.91 8.08 4.05 0.40 -4.94 115.26 118.68 1hrh n ASN 471 Ca -0.17 -0.12 -0.07 0.00 0.45 0.00 0.00 54.58 54.67 1hrh n ASN 471 Cb 0.52 -2.89 -0.02 0.00 1.23 0.00 0.00 39.78 38.62 1hrh n ASN 471 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 177.26 175.28 1hrh n THR 472 N -0.78 0.00 -4.23 -0.44 5.66 0.93 -5.00 114.28 110.42 1hrh n THR 472 Ca -0.07 -0.90 -0.13 0.00 -3.05 0.00 0.00 64.05 59.90 1hrh n THR 472 Cb 0.62 0.50 -0.10 0.00 -1.55 0.00 0.00 70.33 69.80 1hrh n THR 472 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1hrh s THR 473 N -2.59 0.74 0.04 1.09 -4.23 -1.26 -4.63 115.64 104.80 1hrh s THR 473 Ca 0.15 -1.98 -0.14 0.00 -1.18 0.00 0.00 61.69 58.54 1hrh s THR 473 Cb 0.00 -1.99 -0.06 0.00 1.34 0.00 0.00 72.50 71.79 1hrh s THR 473 CO 0.11 -0.60 1.23 0.78 -0.54 0.00 0.00 174.62 175.60 1hrh h ASN 474 N 2.76 -0.64 -0.93 3.99 2.35 -1.88 -0.47 115.58 120.76 1hrh h ASN 474 Ca -0.36 0.06 0.24 0.00 -0.55 0.00 0.00 56.30 55.69 1hrh h ASN 474 Cb 1.19 0.23 -0.17 0.00 0.05 0.00 0.00 38.32 39.62 1hrh h ASN 474 CO 0.63 -0.24 -0.04 0.00 -1.65 0.00 0.00 177.43 176.13 1hrh n GLN 475 N -3.67 -0.08 0.06 0.81 3.00 -1.26 0.68 117.38 116.92 1hrh n GLN 475 Ca -0.04 1.40 -0.07 0.00 -0.01 0.00 0.00 57.00 58.29 1hrh n GLN 475 Cb 0.17 -2.20 0.10 0.00 0.00 0.00 0.00 30.24 28.31 1hrh n GLN 475 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1hrh h LYS 476 N 0.00 0.34 0.24 -1.09 6.56 -1.73 -1.15 116.57 119.75 1hrh h LYS 476 Ca 0.53 -0.23 -0.00 0.00 -1.06 0.00 0.00 60.65 59.89 1hrh h LYS 476 Cb 1.04 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.73 1hrh h LYS 476 CO -0.89 0.83 -0.19 1.79 -2.06 0.00 0.00 179.45 178.93 1hrh h THR 477 N 0.26 0.59 -0.74 -0.16 1.35 0.19 0.34 112.91 114.73 1hrh h THR 477 Ca -0.00 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.95 1hrh h THR 477 Cb 1.11 0.59 -0.05 0.00 -1.73 0.00 0.00 68.15 68.07 1hrh h THR 477 CO 0.10 0.00 0.49 -0.33 -0.25 0.00 0.00 175.52 175.53 1hrh h GLU 478 N -0.44 0.63 -0.36 4.72 4.39 -0.82 0.48 114.58 123.18 1hrh h GLU 478 Ca -0.01 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.50 1hrh h GLU 478 Cb 0.39 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1hrh h GLU 478 CO -0.02 0.42 -0.37 -0.07 -1.16 0.00 0.00 179.01 177.81 1hrh h LEU 479 N 0.65 0.90 -0.55 1.33 -0.00 0.19 -2.80 115.31 115.03 1hrh h LEU 479 Ca 0.34 -0.40 0.09 0.00 -0.00 0.00 0.00 57.88 57.92 1hrh h LEU 479 Cb 0.47 -0.25 -0.07 0.00 -0.00 0.00 0.00 40.66 40.80 1hrh h LEU 479 CO -0.12 1.16 0.14 -0.61 -0.00 0.00 0.00 178.44 179.01 1hrh h GLN 480 N 0.70 0.28 -0.11 1.13 5.75 0.37 -0.43 115.11 122.80 1hrh h GLN 480 Ca 0.06 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.58 1hrh h GLN 480 Cb 0.94 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 29.36 1hrh h GLN 480 CO 0.09 0.19 -0.51 0.00 -2.65 0.00 0.00 178.83 175.95 1hrh h ALA 481 N 1.42 -0.82 0.00 3.38 0.00 -0.57 0.64 119.26 123.31 1hrh h ALA 481 Ca 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1hrh h ALA 481 Cb 0.38 0.94 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1hrh h ALA 481 CO -0.34 -1.05 -0.04 0.82 0.00 0.00 0.00 179.25 178.64 1hrh h ILE 482 N -0.58 0.31 0.17 0.00 2.04 -1.30 -2.13 117.51 116.02 1hrh h ILE 482 Ca 0.04 -0.24 -0.31 0.00 1.00 0.00 0.00 64.86 65.35 1hrh h ILE 482 Cb 0.68 1.17 0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1hrh h ILE 482 CO -0.42 0.04 -1.47 0.22 0.00 0.00 0.00 178.15 176.52 1hrh h TYR 483 N 0.00 0.66 0.24 1.37 3.20 0.19 -2.63 116.97 120.01 1hrh h TYR 483 Ca -0.00 -0.48 0.00 0.00 3.14 0.00 0.00 58.73 61.39 1hrh h TYR 483 Cb 0.17 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 1hrh h TYR 483 CO 0.00 1.45 -0.52 -0.07 -1.64 0.00 0.00 178.16 177.38 1hrh h LEU 484 N 0.10 -1.52 -1.63 2.82 4.07 -0.61 0.50 115.31 119.04 1hrh h LEU 484 Ca -0.23 0.15 0.02 0.00 0.08 0.00 0.00 57.88 57.90 1hrh h LEU 484 Cb 2.06 0.55 -0.02 0.00 1.08 0.00 0.00 40.66 44.33 1hrh h LEU 484 CO 0.21 -0.59 0.28 0.00 -1.08 0.00 0.00 178.44 177.25 1hrh h ALA 485 N -0.63 1.78 -0.47 1.53 0.00 -1.51 0.24 119.26 120.19 1hrh h ALA 485 Ca -0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1hrh h ALA 485 Cb 0.80 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1hrh h ALA 485 CO -0.22 0.19 -0.19 -0.07 0.00 0.00 0.00 179.25 178.95 1hrh h LEU 486 N 0.50 0.97 0.00 0.00 3.38 -0.97 -2.39 115.31 116.80 1hrh h LEU 486 Ca 0.16 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1hrh h LEU 486 Cb 0.04 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1hrh h LEU 486 CO -0.04 1.13 -0.00 1.56 0.09 0.00 0.00 178.44 181.18 1hrh h GLN 487 N 0.83 -0.00 0.00 1.13 4.20 0.70 -3.27 115.11 118.69 1hrh h GLN 487 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1hrh h GLN 487 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1hrh h GLN 487 CO 0.06 0.38 0.00 -0.25 -0.67 0.00 0.00 178.83 178.35 1hrh n ASP 488 N -4.91 0.29 0.04 1.46 9.92 0.69 -4.68 116.55 119.36 1hrh n ASP 488 Ca -0.08 0.57 -0.22 0.00 -0.53 0.00 0.00 54.79 54.53 1hrh n ASP 488 Cb 0.20 -0.63 -0.14 0.00 -0.64 0.00 0.00 41.12 39.91 1hrh n ASP 488 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1hrh h SER 489 N 0.00 0.50 -3.86 -2.24 4.64 -1.48 -3.51 113.55 107.61 1hrh h SER 489 Ca 0.00 -0.90 0.00 0.00 -0.47 0.00 0.00 61.79 60.42 1hrh h SER 489 Cb 0.31 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1hrh h SER 489 CO 0.00 1.72 0.00 0.61 -0.87 0.00 0.00 176.83 178.29 1hrh n GLY 490 N 1.82 3.75 0.33 -0.77 0.00 -1.26 -4.85 105.19 104.21 1hrh n GLY 490 Ca -0.25 -1.57 0.21 0.00 0.00 0.00 0.00 46.02 44.41 1hrh n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1hrh h LEU 491 N 0.00 0.00 -7.90 0.99 3.38 -1.92 -3.41 115.31 106.45 1hrh h LEU 491 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1hrh h LEU 491 Cb 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.39 1hrh h LEU 491 CO 0.00 0.00 -0.83 -1.61 0.09 0.00 0.00 178.44 176.09 1hrh s GLU 492 N -4.12 2.31 0.05 1.13 2.02 -1.21 0.24 118.70 119.12 1hrh s GLU 492 Ca -0.04 -0.56 -0.04 0.00 0.02 0.00 0.00 54.97 54.35 1hrh s GLU 492 Cb 0.13 -2.10 -0.02 0.00 0.10 0.00 0.00 34.13 32.23 1hrh s GLU 492 CO 0.45 -0.22 0.05 0.08 0.02 0.00 0.00 175.26 175.63 1hrh s VAL 493 N 1.44 0.17 -0.08 2.63 1.01 0.69 -4.53 120.40 121.74 1hrh s VAL 493 Ca 0.04 -1.39 0.02 0.00 0.00 0.00 0.00 61.98 60.66 1hrh s VAL 493 Cb -0.13 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.09 1hrh s VAL 493 CO -0.10 -0.76 -0.14 0.20 0.00 0.00 0.00 175.10 174.30 1hrh s ASN 494 N -2.52 2.04 0.00 3.32 0.01 -1.20 -0.39 114.94 116.19 1hrh s ASN 494 Ca 0.01 -0.35 0.02 0.00 -0.71 0.00 0.00 52.86 51.83 1hrh s ASN 494 Cb 0.03 -0.93 -0.01 0.00 0.41 0.00 0.00 41.25 40.75 1hrh s ASN 494 CO -0.08 0.04 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.87 1hrh s ILE 495 N 0.71 0.40 -0.33 0.60 1.01 0.28 -2.15 121.20 121.72 1hrh s ILE 495 Ca -0.13 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.25 1hrh s ILE 495 Cb -0.16 -0.35 0.10 0.00 0.01 0.00 0.00 42.46 42.05 1hrh s ILE 495 CO 0.03 0.05 0.04 -0.69 0.00 0.00 0.00 174.94 174.37 1hrh s VAL 496 N -0.25 2.16 0.28 2.92 1.01 -0.58 -0.87 120.40 125.07 1hrh s VAL 496 Ca 0.00 -2.21 0.07 0.00 0.00 0.00 0.00 61.98 59.85 1hrh s VAL 496 Cb -0.03 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1hrh s VAL 496 CO -0.00 -0.55 0.24 0.42 0.00 0.00 0.00 175.10 175.21 1hrh s THR 497 N 0.97 4.14 -2.12 3.92 -4.23 -0.78 -2.99 115.64 114.55 1hrh s THR 497 Ca 0.09 -1.38 0.19 0.00 -1.18 0.00 0.00 61.69 59.42 1hrh s THR 497 Cb -0.19 -3.34 0.31 0.00 1.34 0.00 0.00 72.50 70.62 1hrh s THR 497 CO -0.09 -0.28 1.25 -0.90 -0.54 0.00 0.00 174.62 174.05 1hrh n ASP 498 N -1.26 3.02 -4.52 3.99 3.85 -1.22 -0.35 116.55 120.06 1hrh n ASP 498 Ca -0.06 -1.89 -0.43 0.00 -0.71 0.00 0.00 54.79 51.71 1hrh n ASP 498 Cb 0.59 -0.16 -0.06 0.00 -1.35 0.00 0.00 41.12 40.14 1hrh n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1hrh s SER 499 N -1.38 6.34 0.14 -1.12 0.15 -1.26 -4.76 113.70 111.81 1hrh s SER 499 Ca 0.30 -0.35 -0.08 0.00 0.70 0.00 0.00 55.95 56.52 1hrh s SER 499 Cb 0.18 -2.36 -0.03 0.00 -1.71 0.00 0.00 66.02 62.10 1hrh s SER 499 CO 0.26 -0.92 1.40 1.56 1.20 0.00 0.00 173.24 176.74 1hrh h GLN 500 N 9.00 0.67 0.03 5.44 1.08 -1.97 -1.67 115.11 127.70 1hrh h GLN 500 Ca -0.26 -0.50 0.01 0.00 -1.45 0.00 0.00 58.65 56.46 1hrh h GLN 500 Cb 1.09 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.59 1hrh h GLN 500 CO 0.96 1.12 -0.06 -0.92 -0.95 0.00 0.00 178.83 178.97 1hrh h TYR 501 N 0.48 -0.16 -0.29 2.96 3.20 -2.00 -1.29 116.97 119.87 1hrh h TYR 501 Ca -0.02 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.69 1hrh h TYR 501 Cb 1.27 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.60 1hrh h TYR 501 CO 0.07 -0.10 -0.47 0.00 -1.64 0.00 0.00 178.16 176.01 1hrh h ALA 502 N 0.83 0.45 -0.72 1.82 0.00 -1.91 -3.09 119.26 116.64 1hrh h ALA 502 Ca 0.02 -0.48 0.11 0.00 0.00 0.00 0.00 54.91 54.56 1hrh h ALA 502 Cb 0.14 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 1hrh h ALA 502 CO -0.04 0.61 0.32 1.25 0.00 0.00 0.00 179.25 181.38 1hrh h LEU 503 N 0.60 0.36 0.33 0.00 5.85 -0.89 -2.68 115.31 118.88 1hrh h LEU 503 Ca 0.02 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1hrh h LEU 503 Cb 1.07 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1hrh h LEU 503 CO 0.11 0.18 -0.16 1.23 -0.34 0.00 0.00 178.44 179.46 1hrh h GLY 504 N 0.51 -0.47 -0.18 3.75 0.00 -1.28 0.70 103.07 106.11 1hrh h GLY 504 Ca 0.37 0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.92 1hrh h GLY 504 CO -0.33 -0.17 -0.51 -2.22 0.00 0.00 0.00 176.54 173.31 1hrh h ILE 505 N -0.45 0.04 -0.25 2.60 2.04 -1.41 -0.37 117.51 119.71 1hrh h ILE 505 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1hrh h ILE 505 Cb 0.35 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1hrh h ILE 505 CO 0.08 0.00 0.16 0.40 0.00 0.00 0.00 178.15 178.79 1hrh h ILE 506 N -0.50 1.07 0.00 -0.67 2.04 -1.38 -1.91 117.51 116.15 1hrh h ILE 506 Ca 0.06 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1hrh h ILE 506 Cb 0.65 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1hrh h ILE 506 CO -0.48 0.06 -0.11 1.56 0.00 0.00 0.00 178.15 179.19 1hrh h GLN 507 N 0.34 0.00 0.00 2.37 4.20 -0.74 -1.79 115.11 119.48 1hrh h GLN 507 Ca 0.09 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 1hrh h GLN 507 Cb -0.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1hrh h GLN 507 CO -0.02 0.11 -0.28 0.00 -0.67 0.00 0.00 178.83 177.97 1hrh h ALA 508 N 1.89 1.41 -4.95 3.87 0.00 -0.21 -3.47 119.26 117.79 1hrh h ALA 508 Ca -0.00 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 1hrh h ALA 508 Cb 0.26 -0.04 0.15 0.00 0.00 0.00 0.00 17.79 18.16 1hrh h ALA 508 CO 0.01 0.35 -0.66 1.04 0.00 0.00 0.00 179.25 179.99 1hrh n GLN 509 N -4.01 -1.77 -0.57 0.00 6.02 -0.68 -5.00 117.38 111.37 1hrh n GLN 509 Ca -0.02 0.71 -0.28 0.00 -0.01 0.00 0.00 57.00 57.40 1hrh n GLN 509 Cb 0.34 -4.95 0.24 0.00 1.02 0.00 0.00 30.24 26.90 1hrh n GLN 509 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 1hrh s PRO 510 N -4.07 -0.76 -0.01 -1.09 0.02 -1.26 -4.98 135.00 122.85 1hrh s PRO 510 Ca 0.35 0.89 -0.01 0.00 0.02 0.00 0.00 61.00 62.26 1hrh s PRO 510 Cb -0.05 -1.57 -0.00 0.00 0.02 0.00 0.00 34.50 32.90 1hrh s PRO 510 CO 0.59 -3.63 -0.02 0.38 -0.33 0.00 0.00 177.00 173.99 1hrh h ASP 511 N -2.56 0.00 -2.55 2.53 2.03 -2.01 -3.50 116.42 110.37 1hrh h ASP 511 Ca -0.60 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.15 1hrh h ASP 511 Cb 1.33 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.69 1hrh h ASP 511 CO 0.50 0.07 -0.57 -1.59 -1.03 0.00 0.00 179.24 176.62 1hrh s LYS 512 N -1.12 1.85 0.19 4.15 0.00 -1.26 -5.05 119.74 118.50 1hrh s LYS 512 Ca -0.01 -2.08 -0.01 0.00 0.00 0.00 0.00 55.97 53.86 1hrh s LYS 512 Cb 0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 37.83 36.77 1hrh s LYS 512 CO 0.02 -0.26 0.13 0.45 0.00 0.00 0.00 175.35 175.69 1hrh s SER 513 N -3.61 0.17 0.00 0.03 0.15 -1.26 -5.00 113.70 104.18 1hrh s SER 513 Ca 0.29 -1.35 0.24 0.00 0.70 0.00 0.00 55.95 55.83 1hrh s SER 513 Cb 0.06 0.37 0.57 0.00 -1.71 0.00 0.00 66.02 65.32 1hrh s SER 513 CO 0.14 -0.83 1.47 -1.84 1.20 0.00 0.00 173.24 173.38 1hrh n GLU 514 N -0.25 2.08 -3.17 5.44 0.00 -1.26 -4.77 120.64 118.72 1hrh n GLU 514 Ca 0.01 -1.60 -0.39 0.00 0.00 0.00 0.00 57.16 55.18 1hrh n GLU 514 Cb 0.66 -1.46 -0.05 0.00 0.00 0.00 0.00 31.44 30.58 1hrh n GLU 514 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1hrh s SER 515 N -1.79 6.93 -0.06 -1.84 0.15 -1.26 -4.96 113.70 110.87 1hrh s SER 515 Ca 0.34 1.11 -0.25 0.00 0.70 0.00 0.00 55.95 57.84 1hrh s SER 515 Cb 0.20 -2.37 -0.20 0.00 -1.71 0.00 0.00 66.02 61.94 1hrh s SER 515 CO 0.30 0.01 1.05 1.05 1.20 0.00 0.00 173.24 176.85 1hrh h GLU 516 N 6.22 -0.05 -0.82 5.44 -0.00 -2.00 -1.62 114.58 121.75 1hrh h GLU 516 Ca -0.43 0.00 0.13 0.00 -0.00 0.00 0.00 59.36 59.07 1hrh h GLU 516 Cb 1.20 0.01 -0.09 0.00 -0.00 0.00 0.00 28.75 29.87 1hrh h GLU 516 CO 0.73 0.54 0.41 1.25 -0.00 0.00 0.00 179.01 181.94 1hrh h LEU 517 N -0.70 0.50 -0.08 3.06 5.85 -1.99 -0.99 115.31 120.95 1hrh h LEU 517 Ca -0.01 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1hrh h LEU 517 Cb 0.62 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1hrh h LEU 517 CO 0.01 0.23 0.02 0.58 -0.34 0.00 0.00 178.44 178.94 1hrh h VAL 518 N 0.62 1.20 -0.18 1.05 2.07 -1.96 -2.27 116.25 116.77 1hrh h VAL 518 Ca 0.44 -0.61 0.05 0.00 0.82 0.00 0.00 66.70 67.40 1hrh h VAL 518 Cb 0.58 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1hrh h VAL 518 CO -0.34 0.17 0.15 0.78 0.02 0.00 0.00 177.57 178.35 1hrh h ASN 519 N -0.09 0.00 0.17 0.57 2.35 -0.41 0.38 115.58 118.55 1hrh h ASN 519 Ca 0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1hrh h ASN 519 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1hrh h ASN 519 CO 0.00 0.00 -0.08 1.56 -1.65 0.00 0.00 177.43 177.26 1hrh h GLN 520 N 0.00 -0.22 -0.75 0.81 4.20 -0.73 -0.93 115.11 117.49 1hrh h GLN 520 Ca 0.08 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.87 1hrh h GLN 520 Cb 0.38 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.15 1hrh h GLN 520 CO -0.00 0.15 0.44 0.82 -0.67 0.00 0.00 178.83 179.57 1hrh h ILE 521 N -0.64 0.99 -0.97 2.54 2.04 -0.74 0.14 117.51 120.86 1hrh h ILE 521 Ca -0.02 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.63 1hrh h ILE 521 Cb 0.47 0.12 -0.07 0.00 -0.74 0.00 0.00 36.82 36.60 1hrh h ILE 521 CO 0.04 0.15 0.62 0.40 0.00 0.00 0.00 178.15 179.35 1hrh h ILE 522 N 0.80 1.08 -0.58 -0.67 2.04 -0.20 0.18 117.51 120.15 1hrh h ILE 522 Ca 0.34 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 1hrh h ILE 522 Cb 0.20 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.11 1hrh h ILE 522 CO -0.19 0.21 0.12 -0.33 0.00 0.00 0.00 178.15 177.96 1hrh h GLU 523 N 1.13 0.92 -0.50 2.37 5.08 0.63 -2.46 114.58 121.74 1hrh h GLU 523 Ca 0.42 -0.21 -0.13 0.00 -1.00 0.00 0.00 59.36 58.44 1hrh h GLU 523 Cb 0.16 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1hrh h GLU 523 CO -0.17 0.84 -0.18 1.96 -1.00 0.00 0.00 179.01 180.45 1hrh h GLN 524 N 0.87 1.00 -0.23 2.33 1.08 0.68 -3.00 115.11 117.84 1hrh h GLN 524 Ca 0.18 -0.40 -0.04 0.00 -1.45 0.00 0.00 58.65 56.94 1hrh h GLN 524 Cb 0.35 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1hrh h GLN 524 CO 0.00 1.08 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.89 1hrh h LEU 525 N 0.87 0.41 -1.59 1.46 3.38 -0.43 -2.68 115.31 116.73 1hrh h LEU 525 Ca 0.12 -0.31 0.13 0.00 0.09 0.00 0.00 57.88 57.91 1hrh h LEU 525 Cb 0.75 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 1hrh h LEU 525 CO 0.06 0.62 0.47 0.40 0.09 0.00 0.00 178.44 180.09 1hrh h ILE 526 N 0.18 0.83 -0.17 1.22 2.04 -1.41 -2.02 117.51 118.18 1hrh h ILE 526 Ca 0.07 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1hrh h ILE 526 Cb 0.41 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1hrh h ILE 526 CO 0.01 0.08 0.00 2.29 0.00 0.00 0.00 178.15 180.53 1hrh n LYS 527 N -4.47 1.72 -4.32 2.37 0.00 -1.01 -4.88 118.16 107.56 1hrh n LYS 527 Ca 0.13 -0.74 -0.32 0.00 -0.00 0.00 0.00 58.31 57.39 1hrh n LYS 527 Cb 0.48 -1.43 -0.09 0.00 -0.00 0.00 0.00 35.03 33.99 1hrh n LYS 527 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1hrh s LYS 528 N -1.59 2.57 0.09 -1.58 3.01 -0.76 -4.94 119.74 116.54 1hrh s LYS 528 Ca 0.13 -0.74 -0.09 0.00 -1.01 0.00 0.00 55.97 54.26 1hrh s LYS 528 Cb 0.09 -2.54 -0.22 0.00 -1.01 0.00 0.00 37.83 34.15 1hrh s LYS 528 CO 0.06 0.59 1.18 0.93 0.51 0.00 0.00 175.35 178.62 1hrh h GLU 529 N 4.16 0.49 -2.46 1.68 5.08 0.28 -3.46 114.58 120.34 1hrh h GLU 529 Ca -0.48 -0.63 -0.08 0.00 -1.00 0.00 0.00 59.36 57.17 1hrh h GLU 529 Cb 1.17 0.20 -0.25 0.00 0.50 0.00 0.00 28.75 30.37 1hrh h GLU 529 CO 0.56 1.25 -0.19 0.15 -1.00 0.00 0.00 179.01 179.78 1hrh s LYS 530 N -3.03 0.50 -0.04 2.33 1.02 0.69 -4.98 119.74 116.23 1hrh s LYS 530 Ca -0.07 0.89 0.02 0.00 0.02 0.00 0.00 55.97 56.83 1hrh s LYS 530 Cb 0.07 0.06 0.01 0.00 -0.52 0.00 0.00 37.83 37.45 1hrh s LYS 530 CO 0.90 -0.15 -0.08 0.54 -0.92 0.00 0.00 175.35 175.64 1hrh s VAL 531 N 1.33 0.77 -0.09 3.17 0.11 -1.26 -0.22 120.40 124.21 1hrh s VAL 531 Ca -0.09 -0.31 0.03 0.00 -2.93 0.00 0.00 61.98 58.68 1hrh s VAL 531 Cb -0.07 -0.72 0.01 0.00 -1.53 0.00 0.00 36.38 34.07 1hrh s VAL 531 CO -0.13 0.26 -0.17 -0.47 -3.33 0.00 0.00 175.10 171.26 1hrh s TYR 532 N 0.51 1.98 0.04 1.54 5.04 0.47 -0.64 117.35 126.28 1hrh s TYR 532 Ca -0.08 -0.84 0.08 0.00 -2.44 0.00 0.00 57.07 53.79 1hrh s TYR 532 Cb -0.12 -1.39 -0.03 0.00 0.35 0.00 0.00 41.96 40.77 1hrh s TYR 532 CO 0.01 -0.40 -0.22 -1.17 -1.34 0.00 0.00 175.55 172.43 1hrh s LEU 533 N 0.70 2.40 -0.02 6.97 0.20 -1.26 0.10 118.68 127.77 1hrh s LEU 533 Ca -0.13 -0.50 -0.03 0.00 0.69 0.00 0.00 54.13 54.16 1hrh s LEU 533 Cb -0.16 -1.41 0.00 0.00 -0.43 0.00 0.00 46.19 44.20 1hrh s LEU 533 CO 0.03 0.26 0.07 0.00 -0.29 0.00 0.00 176.35 176.42 1hrh s ALA 534 N -0.86 -0.18 0.17 5.97 0.00 -0.04 -4.90 121.76 121.92 1hrh s ALA 534 Ca 0.13 0.12 -0.04 0.00 0.00 0.00 0.00 51.96 52.18 1hrh s ALA 534 Cb -0.10 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 1hrh s ALA 534 CO 0.04 -0.06 0.40 -0.46 0.00 0.00 0.00 175.76 175.67 1hrh s TRP 535 N -0.20 3.48 -0.25 0.00 -0.00 -1.25 -1.87 118.94 118.85 1hrh s TRP 535 Ca -0.03 0.50 -0.24 0.00 -0.00 0.00 0.00 56.10 56.33 1hrh s TRP 535 Cb -0.02 -1.97 0.07 0.00 -0.00 0.00 0.00 33.47 31.55 1hrh s TRP 535 CO 0.00 0.39 0.69 0.08 -0.00 0.00 0.00 176.95 178.12 1hrh s VAL 536 N -1.76 0.00 0.19 5.86 1.01 0.53 -4.93 120.40 121.29 1hrh s VAL 536 Ca 0.41 -0.00 0.28 0.00 0.00 0.00 0.00 61.98 62.66 1hrh s VAL 536 Cb -0.12 -0.97 0.28 0.00 0.00 0.00 0.00 36.38 35.58 1hrh s VAL 536 CO 0.26 -0.00 1.84 -0.65 0.00 0.00 0.00 175.10 176.55 1hrh h PRO 537 N 4.96 0.00 0.00 2.72 0.11 -1.88 -3.24 132.00 134.67 1hrh h PRO 537 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1hrh h PRO 537 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1hrh h PRO 537 CO 0.08 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.28 1hrh n GLY 544 N -1.22 0.00 0.11 -0.55 0.00 -1.26 -4.88 105.19 97.39 1hrh n GLY 544 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 1hrh n GLY 544 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1hrh h ASN 545 N 0.00 0.00 0.50 1.61 -0.73 -1.95 -3.07 115.58 111.94 1hrh h ASN 545 Ca 0.00 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.10 1hrh h ASN 545 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 1hrh h ASN 545 CO 0.00 0.71 -0.35 -0.33 -0.37 0.00 0.00 177.43 177.10 1hrh h GLU 546 N 0.00 0.00 0.90 6.67 4.39 -1.98 0.48 114.58 125.04 1hrh h GLU 546 Ca -0.01 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1hrh h GLU 546 Cb 1.48 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.14 1hrh h GLU 546 CO 0.09 0.35 -0.44 -0.56 -1.16 0.00 0.00 179.01 177.28 1hrh h GLN 547 N 0.00 -1.18 -0.22 2.33 -0.00 -1.96 -0.54 115.11 113.54 1hrh h GLN 547 Ca -0.00 0.08 -0.01 0.00 -0.00 0.00 0.00 58.65 58.72 1hrh h GLN 547 Cb 0.69 0.27 -0.01 0.00 -0.00 0.00 0.00 27.48 28.42 1hrh h GLN 547 CO 0.04 -0.79 0.10 -0.24 -0.00 0.00 0.00 178.83 177.95 1hrh h VAL 548 N -1.22 1.08 0.53 1.86 3.04 -1.54 -2.96 116.25 117.03 1hrh h VAL 548 Ca -0.12 -0.23 -0.03 0.00 -1.01 0.00 0.00 66.70 65.31 1hrh h VAL 548 Cb 0.94 0.81 0.01 0.00 -2.01 0.00 0.00 31.29 31.03 1hrh h VAL 548 CO 0.20 0.09 -0.25 -0.78 -1.01 0.00 0.00 177.57 175.81 1hrh h ASP 549 N 0.30 -0.60 -0.95 3.17 1.82 -0.44 -1.52 116.42 118.19 1hrh h ASP 549 Ca 0.08 0.01 0.20 0.00 -0.39 0.00 0.00 57.03 56.92 1hrh h ASP 549 Cb 0.04 0.16 -0.08 0.00 0.68 0.00 0.00 39.33 40.12 1hrh h ASP 549 CO -0.01 -0.41 0.61 0.11 -1.61 0.00 0.00 179.24 177.93 1hrh h LYS 550 N -0.74 0.53 -0.72 0.28 1.79 -0.94 -2.78 116.57 113.98 1hrh h LYS 550 Ca -0.07 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.38 1hrh h LYS 550 Cb 0.56 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.05 1hrh h LYS 550 CO 0.12 0.35 0.46 1.25 -1.08 0.00 0.00 179.45 180.55 1hrh h LEU 551 N 0.55 0.78 0.00 2.94 5.85 -1.27 -3.22 115.31 120.94 1hrh h LEU 551 Ca 0.51 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 59.05 1hrh h LEU 551 Cb 1.08 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1hrh h LEU 551 CO -0.25 0.56 -1.09 1.62 -0.34 0.00 0.00 178.44 178.93 1hrh h VAL 552 N 0.93 0.85 -0.79 1.05 3.04 -1.05 -3.37 116.25 116.91 1hrh h VAL 552 Ca 0.27 -2.39 -0.42 0.00 -1.01 0.00 0.00 66.70 63.15 1hrh h VAL 552 Cb -0.05 2.34 -0.16 0.00 -2.01 0.00 0.00 31.29 31.40 1hrh h VAL 552 CO -0.08 0.49 0.40 -1.20 -1.01 0.00 0.00 177.57 176.17 1hrh n SER 553 N -3.09 6.49 0.00 3.17 7.64 -1.08 -4.41 113.62 122.35 1hrh n SER 553 Ca -0.05 -3.15 0.07 0.00 1.01 0.00 0.00 58.87 56.75 1hrh n SER 553 Cb 0.85 -1.15 0.42 0.00 -1.01 0.00 0.00 64.21 63.32 1hrh n SER 553 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03