#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhk s PRO 457 N 0.00 3.48 0.03 3.49 0.02 -1.26 -4.56 135.00 136.20 1xhk s PRO 457 Ca 0.00 2.22 0.04 0.00 0.02 0.00 0.00 61.00 63.28 1xhk s PRO 457 Cb 0.00 -2.45 -0.02 0.00 0.02 0.00 0.00 34.50 32.05 1xhk s PRO 457 CO 0.00 -0.92 -0.12 0.15 -0.33 0.00 0.00 177.00 175.78 1xhk s LYS 458 N -2.66 0.84 0.06 5.54 1.02 -0.49 -4.81 119.74 119.23 1xhk s LYS 458 Ca 0.66 -0.66 -0.27 0.00 0.02 0.00 0.00 55.97 55.72 1xhk s LYS 458 Cb -0.40 -0.81 -0.05 0.00 -0.52 0.00 0.00 37.83 36.06 1xhk s LYS 458 CO 0.49 0.20 0.86 0.08 -0.92 0.00 0.00 175.35 176.05 1xhk s VAL 459 N -0.77 4.69 -1.36 3.17 1.01 -1.26 0.18 120.40 126.05 1xhk s VAL 459 Ca 0.01 1.83 0.00 0.00 0.00 0.00 0.00 61.98 63.81 1xhk s VAL 459 Cb -0.07 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1xhk s VAL 459 CO 0.01 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1xhk n GLY 460 N 2.45 1.35 3.17 4.51 0.00 -1.26 -4.86 105.19 110.55 1xhk n GLY 460 Ca 0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 1xhk n GLY 460 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xhk s VAL 461 N -2.43 1.81 0.13 1.61 1.01 -1.25 -0.25 120.40 121.03 1xhk s VAL 461 Ca 0.00 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 1xhk s VAL 461 Cb 0.00 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.83 1xhk s VAL 461 CO 0.00 0.50 0.38 -0.51 0.00 0.00 0.00 175.10 175.47 1xhk s ILE 462 N 0.36 0.07 -0.24 2.22 2.07 -0.54 -4.78 121.20 120.37 1xhk s ILE 462 Ca -0.16 -0.75 -0.03 0.00 -1.41 0.00 0.00 60.65 58.30 1xhk s ILE 462 Cb -0.17 -1.30 0.01 0.00 0.13 0.00 0.00 42.46 41.13 1xhk s ILE 462 CO 0.07 -0.34 -0.05 -0.31 -1.91 0.00 0.00 174.94 172.40 1xhk s TYR 463 N -3.83 3.01 0.63 3.50 2.02 -1.26 -0.33 117.35 121.08 1xhk s TYR 463 Ca 0.05 -1.25 0.08 0.00 -0.37 0.00 0.00 57.07 55.57 1xhk s TYR 463 Cb 0.02 -2.09 0.11 0.00 -0.40 0.00 0.00 41.96 39.60 1xhk s TYR 463 CO -0.10 -0.65 0.87 0.20 -1.57 0.00 0.00 175.55 174.30 1xhk s GLY 464 N 1.40 1.71 -0.07 0.71 0.00 0.04 -1.20 107.32 109.92 1xhk s GLY 464 Ca 0.03 -2.14 -0.02 0.00 0.00 0.00 0.00 44.72 42.60 1xhk s GLY 464 CO -0.04 -1.61 0.03 1.08 0.00 0.00 0.00 173.10 172.56 1xhk s LEU 465 N -4.82 0.45 0.17 0.66 1.43 -1.19 -0.64 118.68 114.73 1xhk s LEU 465 Ca 0.64 -0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.74 1xhk s LEU 465 Cb -0.05 -0.33 -0.04 0.00 0.03 0.00 0.00 46.19 45.80 1xhk s LEU 465 CO 0.41 -0.23 -0.10 0.00 0.23 0.00 0.00 176.35 176.66 1xhk s ALA 466 N 2.04 2.93 -0.05 4.21 0.00 -0.13 -4.91 121.76 125.85 1xhk s ALA 466 Ca 0.05 -1.46 0.04 0.00 0.00 0.00 0.00 51.96 50.59 1xhk s ALA 466 Cb -0.13 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.26 1xhk s ALA 466 CO -0.05 0.48 -0.17 0.14 0.00 0.00 0.00 175.76 176.17 1xhk s VAL 467 N -1.65 1.40 0.54 0.00 -7.23 -1.26 -0.17 120.40 112.02 1xhk s VAL 467 Ca 0.24 -0.69 0.02 0.00 -1.81 0.00 0.00 61.98 59.74 1xhk s VAL 467 Cb -0.09 -1.21 0.01 0.00 0.56 0.00 0.00 36.38 35.65 1xhk s VAL 467 CO 0.15 0.41 0.13 -0.76 -0.31 0.00 0.00 175.10 174.71 1xhk s LEU 468 N 0.13 2.34 0.00 1.32 1.43 -1.26 -4.57 118.68 118.07 1xhk s LEU 468 Ca -0.06 -1.57 0.00 0.00 -1.03 0.00 0.00 54.13 51.47 1xhk s LEU 468 Cb -0.12 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.26 1xhk s LEU 468 CO 0.03 -0.99 0.00 0.61 0.23 0.00 0.00 176.35 176.22 1xhk n GLY 469 N -1.46 0.20 0.25 -3.19 0.00 -1.26 -3.61 105.19 96.11 1xhk n GLY 469 Ca -0.15 -0.56 -0.02 0.00 0.00 0.00 0.00 46.02 45.28 1xhk n GLY 469 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xhk h ALA 470 N -0.24 1.21 -1.81 4.61 0.00 -2.05 -3.48 119.26 117.50 1xhk h ALA 470 Ca 0.00 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 54.72 1xhk h ALA 470 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1xhk h ALA 470 CO 0.00 0.51 0.32 0.41 0.00 0.00 0.00 179.25 180.49 1xhk n GLY 471 N -0.55 0.75 0.00 0.00 0.00 -1.24 -5.18 105.19 98.98 1xhk n GLY 471 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1xhk n GLY 471 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xhk n GLY 472 N -0.35 3.01 3.52 -0.02 0.00 -1.26 -4.84 105.19 105.24 1xhk n GLY 472 Ca 0.00 -1.83 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 1xhk n GLY 472 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xhk n ILE 473 N -0.12 2.31 -1.33 -0.61 5.41 -1.26 -4.78 119.36 118.98 1xhk n ILE 473 Ca 0.00 -0.50 -0.20 0.00 1.00 0.00 0.00 62.75 63.05 1xhk n ILE 473 Cb 0.00 -0.83 0.15 0.00 -0.71 0.00 0.00 39.64 38.25 1xhk n ILE 473 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xhk n GLY 474 N 1.55 -1.89 3.14 7.39 0.00 -0.73 -4.83 105.19 109.81 1xhk n GLY 474 Ca 0.11 -1.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 1xhk n GLY 474 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xhk s ASP 475 N -3.98 2.29 0.13 1.61 -0.00 0.75 -4.62 116.67 112.86 1xhk s ASP 475 Ca 0.50 -0.38 -0.30 0.00 -0.00 0.00 0.00 52.55 52.36 1xhk s ASP 475 Cb -0.03 -0.74 -0.07 0.00 -0.00 0.00 0.00 42.92 42.09 1xhk s ASP 475 CO 0.36 0.15 1.15 -0.69 -0.00 0.00 0.00 175.17 176.13 1xhk s VAL 476 N 0.13 3.93 -0.27 -1.27 1.01 -1.26 -0.95 120.40 121.71 1xhk s VAL 476 Ca -0.07 1.53 0.02 0.00 0.00 0.00 0.00 61.98 63.47 1xhk s VAL 476 Cb -0.13 -3.98 0.06 0.00 0.00 0.00 0.00 36.38 32.33 1xhk s VAL 476 CO 0.03 0.20 -0.07 0.42 0.00 0.00 0.00 175.10 175.68 1xhk s THR 477 N 0.32 2.35 0.11 3.92 -4.23 0.19 -4.93 115.64 113.37 1xhk s THR 477 Ca 0.53 -1.64 -0.31 0.00 -1.18 0.00 0.00 61.69 59.09 1xhk s THR 477 Cb -0.29 -2.40 -0.08 0.00 1.34 0.00 0.00 72.50 71.07 1xhk s THR 477 CO 0.33 -0.09 1.36 -0.75 -0.54 0.00 0.00 174.62 174.93 1xhk s LYS 478 N 1.12 4.34 -0.11 3.99 2.20 -1.26 -0.78 119.74 129.23 1xhk s LYS 478 Ca -0.07 2.03 0.03 0.00 -0.36 0.00 0.00 55.97 57.60 1xhk s LYS 478 Cb -0.20 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1xhk s LYS 478 CO -0.04 -0.41 -0.22 0.42 -0.36 0.00 0.00 175.35 174.73 1xhk s ILE 479 N 1.12 2.17 -0.08 5.43 1.01 0.55 -1.15 121.20 130.24 1xhk s ILE 479 Ca 0.64 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1xhk s ILE 479 Cb -0.36 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.28 1xhk s ILE 479 CO 0.30 0.55 -0.15 -0.63 0.00 0.00 0.00 174.94 175.01 1xhk s ILE 480 N 0.43 1.41 -0.05 2.92 1.01 -0.36 -1.47 121.20 125.09 1xhk s ILE 480 Ca -0.16 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1xhk s ILE 480 Cb -0.17 -1.27 -0.00 0.00 0.01 0.00 0.00 42.46 41.02 1xhk s ILE 480 CO 0.07 0.42 -0.18 -0.69 0.00 0.00 0.00 174.94 174.55 1xhk s VAL 481 N 0.70 1.54 0.03 2.92 1.01 0.66 -1.28 120.40 125.98 1xhk s VAL 481 Ca -0.13 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1xhk s VAL 481 Cb -0.16 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 1xhk s VAL 481 CO 0.03 0.44 -0.13 -1.10 0.00 0.00 0.00 175.10 174.35 1xhk s GLN 482 N 0.09 0.86 -0.03 2.72 -0.21 -0.26 -4.49 119.66 118.34 1xhk s GLN 482 Ca -0.06 -0.68 0.01 0.00 0.02 0.00 0.00 55.36 54.65 1xhk s GLN 482 Cb -0.13 -0.84 0.03 0.00 1.00 0.00 0.00 33.01 33.07 1xhk s GLN 482 CO 0.03 0.21 -0.01 0.42 -2.12 0.00 0.00 175.29 173.82 1xhk s ILE 483 N -0.78 0.24 0.01 1.08 1.01 -1.26 -0.64 121.20 120.85 1xhk s ILE 483 Ca 0.01 0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.73 1xhk s ILE 483 Cb -0.07 -0.32 -0.01 0.00 0.01 0.00 0.00 42.46 42.07 1xhk s ILE 483 CO 0.01 0.16 -0.08 -0.76 0.00 0.00 0.00 174.94 174.26 1xhk s LEU 484 N 0.99 2.06 0.39 2.97 1.02 -0.95 -4.98 118.68 120.18 1xhk s LEU 484 Ca -0.10 -0.23 -0.27 0.00 0.02 0.00 0.00 54.13 53.55 1xhk s LEU 484 Cb -0.14 -0.39 -0.09 0.00 0.02 0.00 0.00 46.19 45.59 1xhk s LEU 484 CO -0.01 0.05 1.34 -1.61 0.02 0.00 0.00 176.35 176.14 1xhk s GLU 485 N -0.48 4.05 -0.09 1.70 0.41 -1.26 -1.08 118.70 121.95 1xhk s GLU 485 Ca 0.01 2.26 -0.29 0.00 -0.41 0.00 0.00 54.97 56.54 1xhk s GLU 485 Cb -0.04 -2.85 0.07 0.00 -1.78 0.00 0.00 34.13 29.52 1xhk s GLU 485 CO -0.00 -0.46 0.66 0.45 -0.49 0.00 0.00 175.26 175.42 1xhk s SER 486 N -0.57 -0.65 0.00 -0.19 0.15 -1.03 -4.78 113.70 106.62 1xhk s SER 486 Ca 0.55 0.81 0.30 0.00 0.70 0.00 0.00 55.95 58.31 1xhk s SER 486 Cb -0.40 0.69 1.47 0.00 -1.71 0.00 0.00 66.02 66.07 1xhk s SER 486 CO 0.53 -0.54 2.00 0.29 1.20 0.00 0.00 173.24 176.72 1xhk n LYS 487 N 1.25 0.75 -3.11 5.44 5.02 -1.26 -3.71 118.16 122.53 1xhk n LYS 487 Ca -0.18 -0.15 -0.23 0.00 -2.02 0.00 0.00 58.31 55.72 1xhk n LYS 487 Cb 0.57 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.04 1xhk n LYS 487 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xhk n ASN 488 N -0.99 2.67 -4.72 4.39 3.02 -1.26 -5.11 115.26 113.26 1xhk n ASN 488 Ca 0.17 -3.32 -0.39 0.00 -0.03 0.00 0.00 54.58 51.01 1xhk n ASN 488 Cb 0.23 -0.60 0.03 0.00 -0.61 0.00 0.00 39.78 38.83 1xhk n ASN 488 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1xhk n PRO 489 N 0.23 1.75 -3.31 3.52 -0.04 -1.24 -4.72 135.00 131.18 1xhk n PRO 489 Ca 0.28 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 64.37 1xhk n PRO 489 Cb 0.50 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1xhk n PRO 489 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xhk n GLY 490 N 0.82 -1.40 3.37 0.55 0.00 -0.94 -4.90 105.19 102.68 1xhk n GLY 490 Ca 0.09 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 1xhk n GLY 490 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xhk s THR 491 N -2.70 2.07 -0.19 2.61 -4.23 -1.26 -0.21 115.64 111.74 1xhk s THR 491 Ca 0.00 -1.85 -0.01 0.00 -1.18 0.00 0.00 61.69 58.64 1xhk s THR 491 Cb 0.00 -1.92 0.05 0.00 1.34 0.00 0.00 72.50 71.98 1xhk s THR 491 CO 0.00 -0.11 -0.01 -1.00 -0.54 0.00 0.00 174.62 172.95 1xhk s HIS 492 N -1.54 1.51 -0.06 3.99 3.76 0.42 -4.91 115.29 118.44 1xhk s HIS 492 Ca 0.15 -1.08 -0.00 0.00 -0.15 0.00 0.00 55.06 53.98 1xhk s HIS 492 Cb -0.08 -1.22 -0.03 0.00 1.11 0.00 0.00 32.58 32.36 1xhk s HIS 492 CO 0.07 -0.63 -0.03 -0.51 -0.85 0.00 0.00 174.74 172.79 1xhk s LEU 493 N 1.70 3.40 -0.17 0.89 1.43 -1.26 -1.55 118.68 123.11 1xhk s LEU 493 Ca -0.01 0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1xhk s LEU 493 Cb -0.17 -1.79 0.05 0.00 0.03 0.00 0.00 46.19 44.31 1xhk s LEU 493 CO -0.07 0.36 0.04 -0.22 0.23 0.00 0.00 176.35 176.68 1xhk s LEU 494 N -0.97 0.91 -1.66 1.79 0.20 -0.35 -4.83 118.68 113.77 1xhk s LEU 494 Ca 0.14 -0.65 0.00 0.00 0.69 0.00 0.00 54.13 54.31 1xhk s LEU 494 Cb -0.11 -0.50 0.00 0.00 -0.43 0.00 0.00 46.19 45.15 1xhk s LEU 494 CO 0.03 -0.29 0.00 0.59 -0.29 0.00 0.00 176.35 176.39 1xhk n ASN 495 N 5.11 -4.90 -4.02 3.68 3.02 -1.26 -0.58 115.26 116.31 1xhk n ASN 495 Ca -0.08 0.36 -0.23 0.00 -0.03 0.00 0.00 54.58 54.60 1xhk n ASN 495 Cb 0.48 -3.81 -0.16 0.00 -0.61 0.00 0.00 39.78 35.68 1xhk n ASN 495 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1xhk s ILE 496 N -2.61 1.00 0.74 2.41 2.07 -1.26 -3.97 121.20 119.58 1xhk s ILE 496 Ca 0.00 -0.45 -0.13 0.00 -1.41 0.00 0.00 60.65 58.67 1xhk s ILE 496 Cb 0.00 -0.90 0.04 0.00 0.13 0.00 0.00 42.46 41.73 1xhk s ILE 496 CO 0.00 0.31 1.12 -0.94 -1.91 0.00 0.00 174.94 173.52 1xhk s SER 497 N 0.38 4.50 0.36 4.50 1.04 -1.26 -4.87 113.70 118.35 1xhk s SER 497 Ca -0.08 2.00 0.10 0.00 0.48 0.00 0.00 55.95 58.45 1xhk s SER 497 Cb -0.12 -2.55 0.68 0.00 0.10 0.00 0.00 66.02 64.14 1xhk s SER 497 CO 0.02 -2.04 1.83 1.23 0.98 0.00 0.00 173.24 175.26 1xhk h GLY 498 N -0.68 0.18 0.67 7.32 0.00 -2.00 -1.65 103.07 106.91 1xhk h GLY 498 Ca -0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1xhk h GLY 498 CO 0.51 0.12 -0.01 -0.55 0.00 0.00 0.00 176.54 176.61 1xhk h ASP 499 N 0.15 0.08 -0.58 0.19 3.45 -1.99 -0.44 116.42 117.28 1xhk h ASP 499 Ca 0.02 -0.37 -0.09 0.00 0.43 0.00 0.00 57.03 57.03 1xhk h ASP 499 Cb 0.57 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.30 1xhk h ASP 499 CO 0.04 0.43 0.03 0.40 -1.57 0.00 0.00 179.24 178.57 1xhk h ILE 500 N -0.27 1.26 -0.36 0.35 2.04 -1.93 -0.97 117.51 117.63 1xhk h ILE 500 Ca 0.01 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 1xhk h ILE 500 Cb 0.40 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1xhk h ILE 500 CO 0.00 0.40 0.18 0.00 0.00 0.00 0.00 178.15 178.73 1xhk h ALA 501 N 0.98 0.47 -0.19 1.87 0.00 -1.29 -0.24 119.26 120.86 1xhk h ALA 501 Ca 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xhk h ALA 501 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1xhk h ALA 501 CO 0.02 0.02 0.08 -0.22 0.00 0.00 0.00 179.25 179.15 1xhk h LYS 502 N 0.45 0.29 -0.56 0.00 3.64 -0.91 -1.26 116.57 118.21 1xhk h LYS 502 Ca 0.12 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1xhk h LYS 502 Cb 0.11 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1xhk h LYS 502 CO -0.02 0.36 0.37 1.25 -2.27 0.00 0.00 179.45 179.14 1xhk h HIS 503 N 0.16 0.71 -0.49 1.91 2.76 -1.07 -2.02 115.15 117.10 1xhk h HIS 503 Ca 0.06 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 1xhk h HIS 503 Cb 0.18 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 1xhk h HIS 503 CO -0.01 0.45 0.26 0.77 -1.30 0.00 0.00 177.93 178.10 1xhk h SER 504 N 0.76 0.62 -0.66 3.26 0.02 -0.87 -0.41 113.55 116.28 1xhk h SER 504 Ca 0.21 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1xhk h SER 504 Cb -0.08 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 1xhk h SER 504 CO -0.04 0.55 0.38 0.40 -1.14 0.00 0.00 176.83 176.97 1xhk h ILE 505 N 0.65 1.20 -0.44 3.27 2.04 -1.01 0.26 117.51 123.48 1xhk h ILE 505 Ca 0.17 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1xhk h ILE 505 Cb 0.07 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1xhk h ILE 505 CO -0.03 0.21 0.20 0.74 0.00 0.00 0.00 178.15 179.28 1xhk h THR 506 N 0.90 1.19 -0.56 -0.27 2.02 -1.07 0.14 112.91 115.25 1xhk h THR 506 Ca 0.23 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1xhk h THR 506 Cb 0.01 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1xhk h THR 506 CO -0.04 0.21 0.29 -0.07 0.37 0.00 0.00 175.52 176.28 1xhk h LEU 507 N 0.57 0.71 -0.67 2.58 3.38 -0.61 -2.48 115.31 118.78 1xhk h LEU 507 Ca 0.15 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1xhk h LEU 507 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1xhk h LEU 507 CO -0.02 0.61 0.04 0.00 0.09 0.00 0.00 178.44 179.16 1xhk h ALA 508 N 1.12 0.88 -0.16 1.53 0.00 -0.22 0.19 119.26 122.61 1xhk h ALA 508 Ca 0.19 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xhk h ALA 508 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xhk h ALA 508 CO -0.03 0.67 0.10 1.03 0.00 0.00 0.00 179.25 181.02 1xhk h SER 509 N 0.99 0.18 -0.05 0.00 0.87 -0.79 -0.13 113.55 114.62 1xhk h SER 509 Ca 0.18 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1xhk h SER 509 Cb 0.52 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1xhk h SER 509 CO 0.02 0.14 -0.06 0.00 -0.53 0.00 0.00 176.83 176.40 1xhk h ALA 510 N 1.05 0.07 0.00 6.23 0.00 -1.29 -3.19 119.26 122.13 1xhk h ALA 510 Ca 0.06 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1xhk h ALA 510 Cb -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xhk h ALA 510 CO -0.01 -0.12 -0.42 -0.07 0.00 0.00 0.00 179.25 178.63 1xhk h LEU 511 N -0.35 0.00 -0.21 0.00 3.38 -0.62 -1.20 115.31 116.31 1xhk h LEU 511 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1xhk h LEU 511 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1xhk h LEU 511 CO 0.01 0.42 0.04 0.77 0.09 0.00 0.00 178.44 179.78 1xhk h SER 512 N 0.00 0.33 -0.66 -0.43 4.64 -1.10 0.34 113.55 116.66 1xhk h SER 512 Ca -0.00 -0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 61.00 1xhk h SER 512 Cb 0.81 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.78 1xhk h SER 512 CO 0.06 0.49 0.14 0.11 -0.87 0.00 0.00 176.83 176.76 1xhk h LYS 513 N 0.15 1.07 -0.19 4.77 1.57 -1.50 -2.30 116.57 120.15 1xhk h LYS 513 Ca 0.06 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1xhk h LYS 513 Cb 0.29 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1xhk h LYS 513 CO 0.00 0.97 0.09 -0.22 -0.57 0.00 0.00 179.45 179.72 1xhk h LYS 514 N 1.00 0.27 -0.32 3.15 3.64 -1.05 -0.11 116.57 123.15 1xhk h LYS 514 Ca 0.21 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1xhk h LYS 514 Cb 0.39 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1xhk h LYS 514 CO 0.01 0.30 0.17 -0.07 -2.27 0.00 0.00 179.45 177.59 1xhk h LEU 515 N 0.17 0.40 -0.34 5.20 3.38 -0.84 -0.02 115.31 123.27 1xhk h LEU 515 Ca 0.06 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1xhk h LEU 515 Cb 0.13 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1xhk h LEU 515 CO -0.01 0.38 0.12 0.58 0.09 0.00 0.00 178.44 179.60 1xhk h VAL 516 N 0.40 1.19 0.00 1.22 2.07 -1.35 0.38 116.25 120.16 1xhk h VAL 516 Ca 0.11 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1xhk h VAL 516 Cb 0.07 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1xhk h VAL 516 CO -0.02 0.21 -0.06 0.00 0.02 0.00 0.00 177.57 177.72 1xhk h ALA 517 N 0.97 1.11 -0.58 1.67 0.00 -0.77 -1.53 119.26 120.12 1xhk h ALA 517 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xhk h ALA 517 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xhk h ALA 517 CO -0.01 0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.71 1xhk n GLU 518 N -3.32 4.35 -1.84 0.00 1.02 -0.04 -4.93 120.64 115.87 1xhk n GLU 518 Ca -0.01 -3.04 -0.21 0.00 -0.02 0.00 0.00 57.16 53.88 1xhk n GLU 518 Cb 0.23 -2.10 -0.07 0.00 -0.02 0.00 0.00 31.44 29.49 1xhk n GLU 518 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xhk n LYS 519 N 0.73 -1.52 0.09 3.49 4.01 -0.57 -4.86 118.16 119.52 1xhk n LYS 519 Ca 0.27 1.17 0.12 0.00 -0.51 0.00 0.00 58.31 59.36 1xhk n LYS 519 Cb 1.07 -5.64 0.18 0.00 -0.51 0.00 0.00 35.03 30.12 1xhk n LYS 519 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1xhk h LYS 520 N 0.00 0.00 -3.78 1.97 1.79 -0.46 -3.46 116.57 112.63 1xhk h LYS 520 Ca -0.45 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 57.88 1xhk h LYS 520 Cb 1.36 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.82 1xhk h LYS 520 CO 0.62 0.00 -0.56 -0.51 -1.08 0.00 0.00 179.45 177.91 1xhk s LEU 521 N -4.67 1.86 0.75 2.94 1.43 -1.16 -4.90 118.68 114.93 1xhk s LEU 521 Ca 0.06 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 1xhk s LEU 521 Cb 0.12 0.49 0.04 0.00 0.03 0.00 0.00 46.19 46.87 1xhk s LEU 521 CO 0.71 -0.43 1.09 -2.16 0.23 0.00 0.00 176.35 175.80 1xhk s PRO 522 N -2.05 2.40 0.13 1.29 0.04 -1.26 -4.34 135.00 131.21 1xhk s PRO 522 Ca -0.10 1.19 -0.31 0.00 0.04 0.00 0.00 61.00 61.82 1xhk s PRO 522 Cb -0.05 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 1xhk s PRO 522 CO -0.02 -1.54 1.71 -0.51 0.04 0.00 0.00 177.00 176.68 1xhk s LEU 523 N -5.71 4.38 0.36 -3.56 1.43 -1.26 -4.87 118.68 109.45 1xhk s LEU 523 Ca 0.62 2.68 -0.28 0.00 -1.03 0.00 0.00 54.13 56.12 1xhk s LEU 523 Cb -0.17 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.37 1xhk s LEU 523 CO 0.53 -0.93 1.31 -2.16 0.23 0.00 0.00 176.35 175.33 1xhk s PRO 524 N 2.12 4.18 0.23 1.29 0.04 -1.26 -4.92 135.00 136.68 1xhk s PRO 524 Ca 0.76 2.21 0.22 0.00 0.04 0.00 0.00 61.00 64.22 1xhk s PRO 524 Cb -0.45 -2.93 0.05 0.00 0.04 0.00 0.00 34.50 31.21 1xhk s PRO 524 CO 0.33 -0.33 1.13 1.57 0.04 0.00 0.00 177.00 179.75 1xhk h LYS 525 N 3.06 0.00 0.00 4.56 2.10 -1.91 -3.47 116.57 120.91 1xhk h LYS 525 Ca -0.49 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 57.83 1xhk h LYS 525 Cb 1.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.55 1xhk h LYS 525 CO 0.64 0.05 -0.12 1.63 -2.00 0.00 0.00 179.45 179.65 1xhk n LYS 526 N -2.79 0.92 -2.22 0.07 4.01 -1.26 -5.07 118.16 111.81 1xhk n LYS 526 Ca -0.00 -2.01 -0.42 0.00 -0.51 0.00 0.00 58.31 55.37 1xhk n LYS 526 Cb 0.58 0.10 -0.03 0.00 -0.51 0.00 0.00 35.03 35.17 1xhk n LYS 526 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1xhk s ASP 527 N -3.02 6.88 0.00 4.39 -1.08 -1.26 -4.92 116.67 117.65 1xhk s ASP 527 Ca 0.25 2.26 0.14 0.00 -0.52 0.00 0.00 52.55 54.68 1xhk s ASP 527 Cb -0.02 -2.59 0.39 0.00 -1.46 0.00 0.00 42.92 39.24 1xhk s ASP 527 CO 0.16 -0.61 1.32 0.00 0.52 0.00 0.00 175.17 176.55 1xhk n ILE 528 N 3.92 0.97 -2.79 4.11 3.06 -1.26 -4.96 119.36 122.40 1xhk n ILE 528 Ca 0.11 -0.98 -0.41 0.00 -2.50 0.00 0.00 62.75 58.96 1xhk n ILE 528 Cb 0.43 0.52 -0.03 0.00 0.54 0.00 0.00 39.64 41.10 1xhk n ILE 528 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1xhk s ASP 529 N -1.01 7.26 0.13 9.51 -1.08 -1.26 -4.95 116.67 125.27 1xhk s ASP 529 Ca 0.30 1.52 0.18 0.00 -0.52 0.00 0.00 52.55 54.03 1xhk s ASP 529 Cb 0.16 -2.53 -0.07 0.00 -1.46 0.00 0.00 42.92 39.02 1xhk s ASP 529 CO 0.20 -0.24 0.98 -0.07 0.52 0.00 0.00 175.17 176.56 1xhk h LEU 530 N 6.93 0.00 -1.25 -1.34 3.38 -1.96 -3.34 115.31 117.72 1xhk h LEU 530 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1xhk h LEU 530 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1xhk h LEU 530 CO 0.76 0.43 0.00 0.78 0.09 0.00 0.00 178.44 180.50 1xhk h ASN 531 N 0.00 0.00 -0.69 -0.43 2.35 -2.01 -2.98 115.58 111.82 1xhk h ASN 531 Ca -0.10 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.20 1xhk h ASN 531 Cb 1.42 0.00 -0.27 0.00 0.05 0.00 0.00 38.32 39.52 1xhk h ASN 531 CO 0.04 0.00 0.01 -0.46 -1.65 0.00 0.00 177.43 175.37 1xhk n ASN 532 N -2.52 4.66 -3.81 5.81 2.04 -1.25 -4.76 115.26 115.43 1xhk n ASN 532 Ca 0.01 -3.77 -0.09 0.00 -0.44 0.00 0.00 54.58 50.28 1xhk n ASN 532 Cb 0.19 -0.66 -0.05 0.00 -2.53 0.00 0.00 39.78 36.74 1xhk n ASN 532 CO 0.00 0.00 0.00 -1.59 -0.44 0.00 0.00 177.26 175.23 1xhk s LYS 533 N -3.51 1.34 -0.22 -3.83 -2.85 -1.13 -2.48 119.74 107.06 1xhk s LYS 533 Ca 0.53 -0.97 -0.12 0.00 -1.00 0.00 0.00 55.97 54.42 1xhk s LYS 533 Cb 0.44 0.48 -0.05 0.00 -2.06 0.00 0.00 37.83 36.65 1xhk s LYS 533 CO 0.02 -0.55 0.20 -1.21 0.10 0.00 0.00 175.35 173.91 1xhk s GLU 534 N -3.91 4.13 -0.19 1.78 2.02 -0.24 -2.20 118.70 120.08 1xhk s GLU 534 Ca 0.12 -0.15 -0.06 0.00 0.02 0.00 0.00 54.97 54.90 1xhk s GLU 534 Cb 0.00 -3.51 -0.03 0.00 0.10 0.00 0.00 34.13 30.69 1xhk s GLU 534 CO -0.01 0.10 0.03 0.42 0.02 0.00 0.00 175.26 175.82 1xhk s ILE 535 N 0.92 4.30 -0.24 -1.63 1.01 0.71 -2.25 121.20 124.03 1xhk s ILE 535 Ca 0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.51 1xhk s ILE 535 Cb -0.13 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 1xhk s ILE 535 CO 0.04 0.43 -0.00 -0.31 0.00 0.00 0.00 174.94 175.10 1xhk s TYR 536 N 0.78 3.02 -0.12 3.97 1.51 0.19 -0.44 117.35 126.26 1xhk s TYR 536 Ca 0.02 -0.87 0.01 0.00 -1.01 0.00 0.00 57.07 55.21 1xhk s TYR 536 Cb -0.14 -2.15 0.02 0.00 -0.11 0.00 0.00 41.96 39.58 1xhk s TYR 536 CO 0.02 -0.52 -0.13 0.42 -1.11 0.00 0.00 175.55 174.23 1xhk s ILE 537 N 1.50 1.38 -0.01 2.71 1.01 -0.60 -1.10 121.20 126.10 1xhk s ILE 537 Ca 0.05 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.20 1xhk s ILE 537 Cb -0.15 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 1xhk s ILE 537 CO -0.01 0.42 -0.11 0.00 0.00 0.00 0.00 174.94 175.25 1xhk s GLN 538 N 1.34 0.92 0.06 2.79 -2.07 -0.41 -1.22 119.66 121.08 1xhk s GLN 538 Ca 0.00 -0.38 0.05 0.00 -1.82 0.00 0.00 55.36 53.21 1xhk s GLN 538 Cb -0.14 -0.88 -0.04 0.00 -1.09 0.00 0.00 33.01 30.86 1xhk s GLN 538 CO -0.06 0.22 -0.05 -0.06 -1.32 0.00 0.00 175.29 174.02 1xhk s PHE 539 N -0.18 2.90 0.39 9.60 2.99 0.26 -1.22 117.98 132.71 1xhk s PHE 539 Ca 0.03 -0.06 0.21 0.00 0.00 0.00 0.00 56.93 57.12 1xhk s PHE 539 Cb -0.05 -1.54 1.15 0.00 0.00 0.00 0.00 43.02 42.58 1xhk s PHE 539 CO -0.00 0.43 1.98 0.66 -0.00 0.00 0.00 175.22 178.29 1xhk h SER 540 N 3.88 0.00 -5.01 1.36 4.64 -1.44 -3.43 113.55 113.55 1xhk h SER 540 Ca -0.48 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.78 1xhk h SER 540 Cb 1.17 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.09 1xhk h SER 540 CO 0.56 0.20 0.07 0.00 -0.87 0.00 0.00 176.83 176.79 1xhk s GLN 541 N -4.22 1.05 0.54 4.77 -2.07 -1.26 -5.00 119.66 113.46 1xhk s GLN 541 Ca -0.03 -0.14 -0.18 0.00 -1.82 0.00 0.00 55.36 53.19 1xhk s GLN 541 Cb 0.14 0.48 -0.06 0.00 -1.09 0.00 0.00 33.01 32.48 1xhk s GLN 541 CO 0.64 -0.37 1.05 -1.12 -1.32 0.00 0.00 175.29 174.17 1xhk s SER 542 N -1.84 6.08 0.34 12.60 0.01 -1.25 -4.90 113.70 124.73 1xhk s SER 542 Ca -0.06 1.88 0.02 0.00 1.31 0.00 0.00 55.95 59.09 1xhk s SER 542 Cb -0.01 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 1xhk s SER 542 CO 0.00 -0.96 0.52 -0.31 0.41 0.00 0.00 173.24 172.90 1xhk s TYR 543 N -2.20 3.40 0.73 2.43 2.02 -1.26 -5.06 117.35 117.40 1xhk s TYR 543 Ca 0.66 0.19 -0.11 0.00 -0.37 0.00 0.00 57.07 57.44 1xhk s TYR 543 Cb -0.16 -1.91 0.03 0.00 -0.40 0.00 0.00 41.96 39.52 1xhk s TYR 543 CO 0.28 0.09 1.07 -1.54 -1.57 0.00 0.00 175.55 173.89 1xhk s SER 544 N -4.07 5.05 0.22 2.29 1.04 -1.26 -4.79 113.70 112.18 1xhk s SER 544 Ca 0.41 1.59 -0.09 0.00 0.48 0.00 0.00 55.95 58.34 1xhk s SER 544 Cb -0.10 -2.41 0.21 0.00 0.10 0.00 0.00 66.02 63.82 1xhk s SER 544 CO 0.34 -1.65 1.89 0.11 0.98 0.00 0.00 173.24 174.91 1xhk h LYS 545 N -0.86 1.08 0.00 4.02 6.56 -1.98 0.73 116.57 126.11 1xhk h LYS 545 Ca -0.44 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 1xhk h LYS 545 Cb 1.23 -0.24 0.00 0.00 -0.57 0.00 0.00 32.23 32.64 1xhk h LYS 545 CO 0.56 0.71 -0.01 -0.84 -2.06 0.00 0.00 179.45 177.82 1xhk h ILE 546 N 1.11 0.00 0.00 1.86 3.07 -1.99 -3.26 117.51 118.30 1xhk h ILE 546 Ca 0.31 -0.84 0.00 0.00 1.55 0.00 0.00 64.86 65.88 1xhk h ILE 546 Cb -0.09 1.84 0.00 0.00 -0.27 0.00 0.00 36.82 38.30 1xhk h ILE 546 CO -0.08 0.00 -1.07 -0.67 -1.05 0.00 0.00 178.15 175.28 1xhk n ASP 547 N -2.85 0.83 -0.33 2.16 4.64 -1.04 -4.62 116.55 115.34 1xhk n ASP 547 Ca 0.04 -0.79 0.15 0.00 -1.38 0.00 0.00 54.79 52.81 1xhk n ASP 547 Cb 0.50 1.15 0.34 0.00 -1.04 0.00 0.00 41.12 42.07 1xhk n ASP 547 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1xhk h GLY 548 N 4.35 1.76 1.77 0.27 0.00 -0.90 -1.11 103.07 109.22 1xhk h GLY 548 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.07 1xhk h GLY 548 CO 0.00 -0.19 0.09 -0.55 0.00 0.00 0.00 176.54 175.89 1xhk h ASP 549 N 0.59 0.00 0.28 0.19 5.19 -1.82 -2.24 116.42 118.61 1xhk h ASP 549 Ca 0.60 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.01 1xhk h ASP 549 Cb 1.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.58 1xhk h ASP 549 CO -0.46 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 174.12 1xhk n SER 550 N -4.01 0.00 -0.30 6.45 3.41 -0.42 -1.93 113.62 116.82 1xhk n SER 550 Ca -0.01 0.21 0.11 0.00 -0.26 0.00 0.00 58.87 58.93 1xhk n SER 550 Cb 0.19 -0.34 0.08 0.00 -0.26 0.00 0.00 64.21 63.88 1xhk n SER 550 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xhk n ALA 551 N -1.34 3.69 -0.19 7.33 0.00 -0.84 -0.87 120.51 128.28 1xhk n ALA 551 Ca 0.05 -0.56 -0.00 0.00 0.00 0.00 0.00 53.44 52.93 1xhk n ALA 551 Cb 0.11 -0.89 0.10 0.00 0.00 0.00 0.00 19.45 18.76 1xhk n ALA 551 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1xhk h THR 552 N 1.47 0.70 -0.13 0.00 2.02 -1.45 -1.21 112.91 114.31 1xhk h THR 552 Ca 0.00 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.10 1xhk h THR 552 Cb 0.63 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1xhk h THR 552 CO 0.00 0.05 -0.01 0.00 0.37 0.00 0.00 175.52 175.94 1xhk h ALA 553 N 1.43 0.11 -0.03 6.16 0.00 -1.44 0.15 119.26 125.65 1xhk h ALA 553 Ca 0.30 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.27 1xhk h ALA 553 Cb 0.41 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1xhk h ALA 553 CO -0.35 -0.46 -0.16 0.00 0.00 0.00 0.00 179.25 178.27 1xhk h ALA 554 N 1.12 -0.18 -0.34 0.00 0.00 -1.64 0.16 119.26 118.37 1xhk h ALA 554 Ca 0.06 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1xhk h ALA 554 Cb 0.08 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1xhk h ALA 554 CO -0.11 -0.65 0.18 0.28 0.00 0.00 0.00 179.25 178.95 1xhk h VAL 555 N -0.26 1.01 -0.42 0.00 2.07 -1.03 0.58 116.25 118.21 1xhk h VAL 555 Ca 0.06 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1xhk h VAL 555 Cb 0.34 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1xhk h VAL 555 CO -0.18 0.07 0.18 0.00 0.02 0.00 0.00 177.57 177.66 1xhk h LEU 557 N 0.36 0.72 -1.05 0.00 3.38 -0.17 -0.62 115.31 117.94 1xhk h LEU 557 Ca 0.19 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1xhk h LEU 557 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1xhk h LEU 557 CO -0.17 0.57 0.13 0.00 0.09 0.00 0.00 178.44 179.07 1xhk h ALA 558 N 1.18 1.23 -0.21 1.53 0.00 -0.21 0.44 119.26 123.22 1xhk h ALA 558 Ca 0.21 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1xhk h ALA 558 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1xhk h ALA 558 CO -0.04 0.53 -0.03 0.82 0.00 0.00 0.00 179.25 180.53 1xhk h ILE 559 N 0.79 1.28 -0.94 0.00 2.04 -0.50 -1.25 117.51 118.93 1xhk h ILE 559 Ca 0.18 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 1xhk h ILE 559 Cb 0.28 1.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 1xhk h ILE 559 CO -0.00 0.30 0.56 0.40 0.00 0.00 0.00 178.15 179.41 1xhk h ILE 560 N 0.13 1.26 0.15 -0.67 2.04 -0.87 0.21 117.51 119.76 1xhk h ILE 560 Ca 0.06 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1xhk h ILE 560 Cb 0.47 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1xhk h ILE 560 CO 0.02 0.27 -0.08 -1.28 0.00 0.00 0.00 178.15 177.08 1xhk h SER 561 N 1.29 -0.18 -0.50 1.72 0.87 -0.70 -0.11 113.55 115.94 1xhk h SER 561 Ca 0.34 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.80 1xhk h SER 561 Cb -0.05 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1xhk h SER 561 CO -0.06 -0.13 -0.08 0.00 -0.53 0.00 0.00 176.83 176.03 1xhk h ALA 562 N 0.64 0.69 -0.49 6.23 0.00 -0.90 0.13 119.26 125.56 1xhk h ALA 562 Ca -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1xhk h ALA 562 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1xhk h ALA 562 CO 0.03 0.57 0.22 1.25 0.00 0.00 0.00 179.25 181.33 1xhk h LEU 563 N 0.81 0.66 -1.46 0.00 5.85 -0.44 -2.91 115.31 117.82 1xhk h LEU 563 Ca 0.13 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1xhk h LEU 563 Cb 0.63 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1xhk h LEU 563 CO 0.04 0.62 0.00 0.18 -0.34 0.00 0.00 178.44 178.95 1xhk n LEU 564 N -4.59 2.25 -3.76 2.25 4.77 -0.07 -4.83 117.00 113.03 1xhk n LEU 564 Ca 0.02 -0.80 -0.25 0.00 -0.03 0.00 0.00 56.01 54.95 1xhk n LEU 564 Cb 0.13 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1xhk n LEU 564 CO 0.37 0.40 0.07 -0.67 -1.33 0.00 0.00 177.39 176.23 1xhk n ASP 565 N 0.75 -3.53 -4.24 -1.43 2.03 0.35 -4.88 116.55 105.60 1xhk n ASP 565 Ca 0.17 -0.75 -0.35 0.00 0.52 0.00 0.00 54.79 54.38 1xhk n ASP 565 Cb 0.46 -4.21 -0.14 0.00 -0.72 0.00 0.00 41.12 36.51 1xhk n ASP 565 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1xhk s ILE 566 N -3.44 3.05 0.54 5.18 1.01 -0.50 -5.03 121.20 122.01 1xhk s ILE 566 Ca 0.37 -0.84 -0.22 0.00 0.00 0.00 0.00 60.65 59.96 1xhk s ILE 566 Cb -0.18 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 1xhk s ILE 566 CO 0.80 0.28 1.37 -2.16 0.00 0.00 0.00 174.94 175.23 1xhk s PRO 567 N 1.38 3.18 -0.12 2.79 0.04 -1.26 -4.61 135.00 136.39 1xhk s PRO 567 Ca 0.02 2.27 -0.05 0.00 0.04 0.00 0.00 61.00 63.29 1xhk s PRO 567 Cb -0.16 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 1xhk s PRO 567 CO -0.04 -1.17 0.05 -0.51 0.04 0.00 0.00 177.00 175.37 1xhk s LEU 568 N -3.45 3.85 0.70 -3.56 1.02 0.13 -1.29 118.68 116.08 1xhk s LEU 568 Ca 0.71 0.20 -0.16 0.00 0.02 0.00 0.00 54.13 54.90 1xhk s LEU 568 Cb -0.41 -1.93 0.02 0.00 0.02 0.00 0.00 46.19 43.89 1xhk s LEU 568 CO 0.49 0.32 1.25 -0.54 0.02 0.00 0.00 176.35 177.90 1xhk s LYS 569 N -0.53 2.27 -0.22 1.70 1.02 0.12 -1.40 119.74 122.70 1xhk s LYS 569 Ca 0.10 1.92 0.13 0.00 0.02 0.00 0.00 55.97 58.14 1xhk s LYS 569 Cb -0.12 -1.83 0.45 0.00 -0.52 0.00 0.00 37.83 35.81 1xhk s LYS 569 CO 0.02 -1.78 1.34 0.94 -0.92 0.00 0.00 175.35 174.95 1xhk n GLN 570 N -2.39 1.86 -0.54 1.68 -0.06 -1.26 -4.68 117.38 111.98 1xhk n GLN 570 Ca 0.15 -3.04 0.08 0.00 -2.00 0.00 0.00 57.00 52.18 1xhk n GLN 570 Cb 0.49 -1.71 0.28 0.00 -4.06 0.00 0.00 30.24 25.24 1xhk n GLN 570 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1xhk n ASP 571 N -1.08 4.18 -3.98 1.69 3.85 -1.26 -5.01 116.55 114.95 1xhk n ASP 571 Ca 0.24 -3.03 -0.09 0.00 -0.71 0.00 0.00 54.79 51.20 1xhk n ASP 571 Cb 0.85 -0.58 -0.08 0.00 -1.35 0.00 0.00 41.12 39.97 1xhk n ASP 571 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 1xhk s PHE 572 N -2.84 0.45 0.10 2.11 -0.71 -1.26 -3.62 117.98 112.21 1xhk s PHE 572 Ca 0.45 -0.82 0.07 0.00 -1.04 0.00 0.00 56.93 55.58 1xhk s PHE 572 Cb 0.36 -0.13 -0.03 0.00 -1.21 0.00 0.00 43.02 42.00 1xhk s PHE 572 CO 0.10 -0.66 -0.17 0.00 -1.34 0.00 0.00 175.22 173.16 1xhk s ALA 573 N -3.97 1.53 0.05 1.99 0.00 -1.08 -4.44 121.76 115.84 1xhk s ALA 573 Ca 0.17 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1xhk s ALA 573 Cb 0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1xhk s ALA 573 CO -0.01 0.21 -0.04 -1.50 0.00 0.00 0.00 175.76 174.42 1xhk s ILE 574 N -1.55 0.31 -0.07 0.00 2.07 -0.34 -1.14 121.20 120.47 1xhk s ILE 574 Ca 0.05 -1.50 -0.09 0.00 -1.41 0.00 0.00 60.65 57.71 1xhk s ILE 574 Cb -0.08 -1.09 0.02 0.00 0.13 0.00 0.00 42.46 41.43 1xhk s ILE 574 CO 0.03 -0.77 0.23 0.28 -1.91 0.00 0.00 174.94 172.81 1xhk s THR 575 N -2.89 0.01 0.00 4.00 -1.32 -0.84 -3.20 115.64 111.41 1xhk s THR 575 Ca -0.00 -0.12 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 1xhk s THR 575 Cb 0.00 -0.37 0.00 0.00 -1.51 0.00 0.00 72.50 70.62 1xhk s THR 575 CO -0.05 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 172.90 1xhk n GLY 576 N 2.65 4.21 3.93 6.08 0.00 -0.05 -3.95 105.19 118.06 1xhk n GLY 576 Ca -0.15 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.38 1xhk n GLY 576 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xhk s SER 577 N 0.00 4.70 0.02 1.61 0.15 -0.96 -1.31 113.70 117.92 1xhk s SER 577 Ca 0.00 -1.19 -0.04 0.00 0.70 0.00 0.00 55.95 55.42 1xhk s SER 577 Cb 0.00 0.42 -0.01 0.00 -1.71 0.00 0.00 66.02 64.71 1xhk s SER 577 CO 0.00 -1.15 0.07 -0.76 1.20 0.00 0.00 173.24 172.59 1xhk s LEU 578 N -4.35 1.89 0.44 3.45 1.43 -1.26 -0.26 118.68 120.02 1xhk s LEU 578 Ca 0.38 -0.45 0.07 0.00 -1.03 0.00 0.00 54.13 53.10 1xhk s LEU 578 Cb -0.03 0.47 -0.03 0.00 0.03 0.00 0.00 46.19 46.63 1xhk s LEU 578 CO 0.24 -0.42 0.24 1.51 0.23 0.00 0.00 176.35 178.16 1xhk s ASP 579 N -1.77 4.56 0.61 2.29 1.47 -0.99 -4.91 116.67 117.92 1xhk s ASP 579 Ca -0.10 -1.07 0.32 0.00 1.18 0.00 0.00 52.55 52.88 1xhk s ASP 579 Cb -0.05 -0.31 1.86 0.00 -0.34 0.00 0.00 42.92 44.08 1xhk s ASP 579 CO -0.02 -0.66 2.21 -0.07 0.68 0.00 0.00 175.17 177.30 1xhk h LEU 580 N 1.24 0.00 0.00 2.11 -0.00 -1.95 -0.87 115.31 115.84 1xhk h LEU 580 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.46 1xhk h LEU 580 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.93 1xhk h LEU 580 CO 0.66 0.00 0.00 -1.20 -0.00 0.00 0.00 178.44 177.90 1xhk n SER 581 N -3.65 0.00 0.00 -0.43 7.64 -1.26 -4.82 113.62 111.10 1xhk n SER 581 Ca -0.01 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1xhk n SER 581 Cb 0.18 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1xhk n SER 581 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xhk n GLY 582 N 1.20 0.80 3.76 0.23 0.00 -0.33 -4.97 105.19 105.87 1xhk n GLY 582 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1xhk n GLY 582 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xhk s ASN 583 N -2.27 7.40 -0.23 1.61 0.01 -1.26 -0.30 114.94 119.90 1xhk s ASN 583 Ca 0.00 2.16 -0.21 0.00 -0.71 0.00 0.00 52.86 54.10 1xhk s ASN 583 Cb 0.00 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 39.02 1xhk s ASN 583 CO 0.00 -0.04 0.64 -0.69 -1.51 0.00 0.00 177.10 175.50 1xhk s VAL 584 N -1.16 4.99 0.11 1.60 1.01 0.63 -2.36 120.40 125.23 1xhk s VAL 584 Ca 0.43 1.17 -0.08 0.00 0.00 0.00 0.00 61.98 63.51 1xhk s VAL 584 Cb -0.30 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 1xhk s VAL 584 CO 0.38 0.06 0.40 -0.76 0.00 0.00 0.00 175.10 175.17 1xhk s LEU 585 N 2.27 4.30 0.74 3.92 1.43 0.65 -4.77 118.68 127.21 1xhk s LEU 585 Ca 0.28 0.71 -0.16 0.00 -1.03 0.00 0.00 54.13 53.93 1xhk s LEU 585 Cb -0.16 -3.16 -0.01 0.00 0.03 0.00 0.00 46.19 42.89 1xhk s LEU 585 CO 0.09 0.11 0.72 0.00 0.23 0.00 0.00 176.35 177.50 1xhk n ALA 586 N 0.49 -1.04 -2.33 4.21 0.00 -1.26 -2.27 120.51 118.30 1xhk n ALA 586 Ca -0.05 -0.25 -0.19 0.00 0.00 0.00 0.00 53.44 52.95 1xhk n ALA 586 Cb 0.52 -1.97 -0.09 0.00 0.00 0.00 0.00 19.45 17.91 1xhk n ALA 586 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1xhk s ILE 587 N -1.93 0.24 0.21 0.00 -5.25 -1.26 -4.58 121.20 108.63 1xhk s ILE 587 Ca 0.68 -2.00 0.08 0.00 -0.99 0.00 0.00 60.65 58.42 1xhk s ILE 587 Cb -0.33 -2.49 -0.04 0.00 2.95 0.00 0.00 42.46 42.55 1xhk s ILE 587 CO 0.55 0.00 0.04 -0.83 -1.79 0.00 0.00 174.94 172.92 1xhk s GLY 588 N -3.38 1.65 -1.16 6.27 0.00 -1.26 -4.70 107.32 104.74 1xhk s GLY 588 Ca 0.36 -1.45 -0.07 0.00 0.00 0.00 0.00 44.72 43.55 1xhk s GLY 588 CO 0.19 -1.48 0.99 0.61 0.00 0.00 0.00 173.10 173.40 1xhk n GLY 589 N -0.56 -0.32 0.34 0.20 0.00 -1.26 -4.93 105.19 98.66 1xhk n GLY 589 Ca -0.08 0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 1xhk n GLY 589 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1xhk h VAL 590 N -2.25 1.21 -0.66 1.61 3.04 -1.96 -1.60 116.25 115.63 1xhk h VAL 590 Ca -0.48 -0.53 -0.06 0.00 -1.01 0.00 0.00 66.70 64.62 1xhk h VAL 590 Cb 1.31 0.27 -0.03 0.00 -2.01 0.00 0.00 31.29 30.84 1xhk h VAL 590 CO 0.48 0.23 0.19 0.78 -1.01 0.00 0.00 177.57 178.24 1xhk h ASN 591 N 0.97 0.97 -0.22 3.17 2.35 -1.91 0.15 115.58 121.06 1xhk h ASN 591 Ca 0.25 -0.22 -0.11 0.00 -0.55 0.00 0.00 56.30 55.67 1xhk h ASN 591 Cb 0.03 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1xhk h ASN 591 CO -0.04 0.93 -0.22 -0.33 -1.65 0.00 0.00 177.43 176.12 1xhk h GLU 592 N 0.96 0.68 -0.18 0.81 3.07 -1.82 -1.98 114.58 116.14 1xhk h GLU 592 Ca 0.21 -0.27 -0.12 0.00 -0.50 0.00 0.00 59.36 58.68 1xhk h GLU 592 Cb 0.32 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1xhk h GLU 592 CO -0.00 0.85 -0.37 0.87 -1.40 0.00 0.00 179.01 178.95 1xhk h LYS 593 N 0.60 0.56 -0.88 2.33 1.57 -0.91 -1.77 116.57 118.07 1xhk h LYS 593 Ca 0.09 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1xhk h LYS 593 Cb 0.70 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.02 1xhk h LYS 593 CO 0.05 0.98 0.53 0.82 -0.57 0.00 0.00 179.45 181.27 1xhk h ILE 594 N 0.22 1.24 -0.27 1.86 2.04 -0.63 -1.24 117.51 120.73 1xhk h ILE 594 Ca 0.00 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1xhk h ILE 594 Cb 0.98 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1xhk h ILE 594 CO 0.08 0.25 0.18 -0.08 0.00 0.00 0.00 178.15 178.58 1xhk h GLU 595 N 1.21 0.36 -0.48 2.37 4.22 -1.28 -0.88 114.58 120.11 1xhk h GLU 595 Ca 0.32 -0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.77 1xhk h GLU 595 Cb -0.05 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 1xhk h GLU 595 CO -0.06 0.25 0.25 0.00 -2.18 0.00 0.00 179.01 177.27 1xhk h ALA 596 N 1.09 0.60 -0.05 2.92 0.00 -0.81 -0.26 119.26 122.76 1xhk h ALA 596 Ca 0.10 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1xhk h ALA 596 Cb -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1xhk h ALA 596 CO -0.02 -0.09 -0.06 0.00 0.00 0.00 0.00 179.25 179.08 1xhk h ALA 597 N 1.24 -0.01 0.07 0.00 0.00 -0.83 -0.65 119.26 119.08 1xhk h ALA 597 Ca 0.20 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1xhk h ALA 597 Cb 0.09 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1xhk h ALA 597 CO -0.13 -0.53 -0.16 -0.22 0.00 0.00 0.00 179.25 178.21 1xhk h LYS 598 N -0.08 -0.28 0.00 0.00 3.64 -0.75 -1.83 116.57 117.28 1xhk h LYS 598 Ca 0.04 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1xhk h LYS 598 Cb 0.14 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1xhk h LYS 598 CO -0.10 -0.19 -0.04 0.00 -2.27 0.00 0.00 179.45 176.85 1xhk h ARG 599 N -0.29 0.00 0.00 1.90 3.08 -0.87 0.12 114.38 118.31 1xhk h ARG 599 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1xhk h ARG 599 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1xhk h ARG 599 CO -0.10 0.04 0.00 0.98 -1.07 0.00 0.00 179.97 179.82 1xhk n TYR 600 N -4.32 0.08 -0.05 3.04 9.36 -0.27 -4.89 117.16 120.12 1xhk n TYR 600 Ca -0.03 0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1xhk n TYR 600 Cb 0.12 -0.54 0.00 0.00 -0.63 0.00 0.00 39.34 38.29 1xhk n TYR 600 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1xhk n GLY 601 N 0.92 0.62 3.75 2.98 0.00 0.43 -5.06 105.19 108.83 1xhk n GLY 601 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1xhk n GLY 601 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xhk s PHE 602 N -2.08 2.92 0.27 1.61 0.40 -0.74 -4.91 117.98 115.44 1xhk s PHE 602 Ca 0.00 0.99 0.07 0.00 -0.60 0.00 0.00 56.93 57.40 1xhk s PHE 602 Cb 0.00 -3.89 0.36 0.00 0.51 0.00 0.00 43.02 39.99 1xhk s PHE 602 CO 0.00 -2.90 1.62 -0.22 0.70 0.00 0.00 175.22 174.43 1xhk h LYS 603 N 4.75 0.14 -3.54 0.44 3.64 -1.89 -3.42 116.57 116.69 1xhk h LYS 603 Ca -0.47 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 58.73 1xhk h LYS 603 Cb 1.22 0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 32.89 1xhk h LYS 603 CO 0.77 0.66 -0.31 -0.98 -2.27 0.00 0.00 179.45 177.32 1xhk s ARG 604 N -3.80 0.82 -0.02 1.90 1.70 -1.24 -1.29 118.95 117.02 1xhk s ARG 604 Ca -0.03 -0.70 0.01 0.00 -0.47 0.00 0.00 55.73 54.54 1xhk s ARG 604 Cb 0.13 0.34 0.01 0.00 -0.57 0.00 0.00 34.95 34.86 1xhk s ARG 604 CO 0.78 -0.26 -0.03 0.54 -1.08 0.00 0.00 175.30 175.24 1xhk s VAL 605 N -3.10 0.33 -0.19 4.99 0.11 0.33 -2.64 120.40 120.22 1xhk s VAL 605 Ca -0.01 -0.11 -0.10 0.00 -2.93 0.00 0.00 61.98 58.84 1xhk s VAL 605 Cb 0.01 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.48 1xhk s VAL 605 CO -0.07 0.13 0.13 -0.63 -3.33 0.00 0.00 175.10 171.33 1xhk s ILE 606 N 0.35 5.42 0.19 7.04 1.01 -0.29 -0.73 121.20 134.18 1xhk s ILE 606 Ca -0.04 0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.82 1xhk s ILE 606 Cb -0.07 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 1xhk s ILE 606 CO -0.01 0.46 0.04 0.27 0.00 0.00 0.00 174.94 175.70 1xhk s ILE 607 N 0.22 0.55 0.22 2.92 -4.36 -0.82 -1.98 121.20 117.96 1xhk s ILE 607 Ca 0.09 -1.98 -0.30 0.00 -0.26 0.00 0.00 60.65 58.20 1xhk s ILE 607 Cb -0.11 -2.26 -0.09 0.00 1.25 0.00 0.00 42.46 41.25 1xhk s ILE 607 CO -0.01 -0.33 1.18 -2.84 0.24 0.00 0.00 174.94 173.18 1xhk s PRO 608 N -3.97 4.52 0.47 0.37 0.02 -1.25 -0.92 135.00 134.23 1xhk s PRO 608 Ca 0.28 1.88 0.16 0.00 0.02 0.00 0.00 61.00 63.35 1xhk s PRO 608 Cb 0.07 -3.22 1.14 0.00 0.02 0.00 0.00 34.50 32.51 1xhk s PRO 608 CO 0.07 -0.02 2.01 1.49 -0.33 0.00 0.00 177.00 180.22 1xhk h GLU 609 N 4.75 0.26 0.00 5.54 4.81 -1.48 0.26 114.58 128.72 1xhk h GLU 609 Ca -0.45 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1xhk h GLU 609 Cb 1.21 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1xhk h GLU 609 CO 0.72 0.17 -0.00 0.00 -0.73 0.00 0.00 179.01 179.17 1xhk h ALA 610 N 1.75 1.07 -2.22 2.92 0.00 -1.88 -3.40 119.26 117.49 1xhk h ALA 610 Ca 0.23 -0.00 -0.80 0.00 0.00 0.00 0.00 54.91 54.34 1xhk h ALA 610 Cb 0.55 -0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.07 1xhk h ALA 610 CO -0.05 0.00 0.69 0.09 0.00 0.00 0.00 179.25 179.98 1xhk n ASN 611 N -3.18 5.81 0.00 0.00 3.02 0.91 -4.75 115.26 117.07 1xhk n ASN 611 Ca -0.03 -3.17 0.00 0.00 -0.03 0.00 0.00 54.58 51.35 1xhk n ASN 611 Cb 0.09 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 37.91 1xhk n ASN 611 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xhk n ILE 613 N 2.33 0.00 0.16 2.41 3.06 -1.26 -2.93 119.36 123.14 1xhk n ILE 613 Ca 0.26 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.55 1xhk n ILE 613 Cb 0.37 0.00 0.09 0.00 0.54 0.00 0.00 39.64 40.64 1xhk n ILE 613 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 1xhk h ASP 614 N 0.00 0.00 -2.06 9.51 3.32 -1.95 -3.46 116.42 121.78 1xhk h ASP 614 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1xhk h ASP 614 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 1xhk h ASP 614 CO 0.00 0.41 1.32 0.52 -1.72 0.00 0.00 179.24 179.77 1xhk n VAL 615 N -3.23 0.54 -2.89 -1.35 0.31 -1.15 -4.84 118.33 105.72 1xhk n VAL 615 Ca 0.02 -0.26 -0.41 0.00 -0.01 0.00 0.00 64.34 63.68 1xhk n VAL 615 Cb 0.67 -2.29 -0.04 0.00 -0.91 0.00 0.00 33.84 31.28 1xhk n VAL 615 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1xhk s ILE 616 N 6.05 4.96 0.03 2.52 -1.09 -1.26 -4.94 121.20 127.47 1xhk s ILE 616 Ca 0.96 1.73 -0.36 0.00 -2.23 0.00 0.00 60.65 60.75 1xhk s ILE 616 Cb -0.47 -4.17 -0.18 0.00 -1.58 0.00 0.00 42.46 36.05 1xhk s ILE 616 CO 0.42 0.21 0.92 1.21 -1.23 0.00 0.00 174.94 176.47 1xhk n GLU 617 N 3.82 0.00 -3.90 2.79 4.07 -1.26 -4.96 120.64 121.20 1xhk n GLU 617 Ca 0.02 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.03 1xhk n GLU 617 Cb 0.51 -1.33 -0.07 0.00 -0.06 0.00 0.00 31.44 30.49 1xhk n GLU 617 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1xhk s THR 618 N -0.14 0.13 0.31 6.31 -1.32 -1.26 -5.18 115.64 114.49 1xhk s THR 618 Ca 0.81 -1.28 0.05 0.00 -1.21 0.00 0.00 61.69 60.06 1xhk s THR 618 Cb -1.14 -1.47 -0.06 0.00 -1.51 0.00 0.00 72.50 68.32 1xhk s THR 618 CO 0.53 -0.60 0.03 -1.83 -2.21 0.00 0.00 174.62 170.54 1xhk s GLU 619 N -3.89 1.63 0.00 7.08 -1.05 -1.26 -4.83 118.70 116.37 1xhk s GLU 619 Ca 0.08 -1.88 0.00 0.00 -0.15 0.00 0.00 54.97 53.02 1xhk s GLU 619 Cb 0.05 -0.96 0.00 0.00 -0.44 0.00 0.00 34.13 32.78 1xhk s GLU 619 CO -0.08 -0.13 0.00 0.41 0.95 0.00 0.00 175.26 176.41 1xhk n GLY 620 N -0.66 0.82 3.54 -3.83 0.00 -1.26 -5.02 105.19 98.77 1xhk n GLY 620 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1xhk n GLY 620 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xhk s ILE 621 N -3.24 0.00 -0.33 -0.61 2.07 -1.26 -4.94 121.20 112.90 1xhk s ILE 621 Ca 0.00 -0.01 -0.28 0.00 -1.41 0.00 0.00 60.65 58.95 1xhk s ILE 621 Cb 0.00 -0.89 0.02 0.00 0.13 0.00 0.00 42.46 41.72 1xhk s ILE 621 CO 0.00 -0.00 1.05 -0.70 -1.91 0.00 0.00 174.94 173.38 1xhk s GLU 622 N 0.25 4.03 -0.32 3.50 2.12 -0.41 -4.94 118.70 122.93 1xhk s GLU 622 Ca -0.01 1.00 -0.16 0.00 0.36 0.00 0.00 54.97 56.16 1xhk s GLU 622 Cb -0.04 -3.75 -0.02 0.00 0.26 0.00 0.00 34.13 30.58 1xhk s GLU 622 CO 0.01 -0.91 0.40 0.42 -0.54 0.00 0.00 175.26 174.65 1xhk s ILE 623 N 3.63 5.13 -0.41 -3.70 1.01 -1.26 -0.51 121.20 125.09 1xhk s ILE 623 Ca 0.44 0.28 -0.03 0.00 0.00 0.00 0.00 60.65 61.35 1xhk s ILE 623 Cb -0.12 -3.82 0.11 0.00 0.01 0.00 0.00 42.46 38.64 1xhk s ILE 623 CO 0.16 -0.04 0.20 -0.63 0.00 0.00 0.00 174.94 174.63 1xhk s ILE 624 N 2.13 3.25 0.27 2.92 1.01 0.09 -4.98 121.20 125.89 1xhk s ILE 624 Ca 0.14 -2.08 -0.30 0.00 0.00 0.00 0.00 60.65 58.41 1xhk s ILE 624 Cb -0.16 -3.24 -0.09 0.00 0.01 0.00 0.00 42.46 38.98 1xhk s ILE 624 CO 0.11 -0.69 1.02 -2.16 0.00 0.00 0.00 174.94 173.23 1xhk s PRO 625 N 1.11 4.73 0.03 2.79 0.04 -1.26 -1.94 135.00 140.50 1xhk s PRO 625 Ca 0.08 1.65 0.03 0.00 0.04 0.00 0.00 61.00 62.80 1xhk s PRO 625 Cb -0.23 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 1xhk s PRO 625 CO -0.04 0.34 -0.09 0.14 0.04 0.00 0.00 177.00 177.39 1xhk s VAL 626 N -1.19 0.63 -0.06 -0.36 -7.23 -0.10 -4.79 120.40 107.30 1xhk s VAL 626 Ca 0.43 -0.86 0.15 0.00 -1.81 0.00 0.00 61.98 59.88 1xhk s VAL 626 Cb -0.29 -0.64 -0.22 0.00 0.56 0.00 0.00 36.38 35.80 1xhk s VAL 626 CO 0.36 -0.18 0.25 2.29 -0.31 0.00 0.00 175.10 177.51 1xhk n LYS 627 N 1.90 0.84 -4.08 4.82 2.85 -1.26 -1.26 118.16 121.96 1xhk n LYS 627 Ca -0.19 -0.10 -0.08 0.00 -1.05 0.00 0.00 58.31 56.88 1xhk n LYS 627 Cb 0.55 -1.37 -0.09 0.00 -0.65 0.00 0.00 35.03 33.47 1xhk n LYS 627 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1xhk s THR 628 N -2.85 0.15 0.39 0.58 -4.23 -1.26 -0.27 115.64 108.15 1xhk s THR 628 Ca -0.06 -1.75 0.09 0.00 -1.18 0.00 0.00 61.69 58.79 1xhk s THR 628 Cb 0.08 -1.74 0.17 0.00 1.34 0.00 0.00 72.50 72.35 1xhk s THR 628 CO 0.62 -0.68 1.93 0.25 -0.54 0.00 0.00 174.62 176.21 1xhk h LEU 629 N 2.94 0.25 -0.70 4.79 5.85 -0.99 -2.54 115.31 124.92 1xhk h LEU 629 Ca -0.34 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.40 1xhk h LEU 629 Cb 1.18 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 1xhk h LEU 629 CO 0.61 0.38 0.39 0.44 -0.34 0.00 0.00 178.44 179.91 1xhk h ASP 630 N 0.26 0.58 -0.04 1.25 3.32 -1.96 -1.10 116.42 118.73 1xhk h ASP 630 Ca 0.06 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 1xhk h ASP 630 Cb 0.32 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1xhk h ASP 630 CO 0.02 0.36 -0.19 -0.33 -1.72 0.00 0.00 179.24 177.38 1xhk h GLU 631 N 0.71 0.40 -0.09 3.56 5.08 -1.86 -3.20 114.58 119.19 1xhk h GLU 631 Ca 0.32 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1xhk h GLU 631 Cb 0.22 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1xhk h GLU 631 CO -0.20 0.58 -0.06 0.82 -1.00 0.00 0.00 179.01 179.15 1xhk h ILE 632 N 0.37 1.34 -0.91 3.13 2.04 -1.13 -3.36 117.51 118.99 1xhk h ILE 632 Ca 0.06 -1.15 0.11 0.00 1.00 0.00 0.00 64.86 64.89 1xhk h ILE 632 Cb 0.54 1.92 -0.13 0.00 -0.74 0.00 0.00 36.82 38.41 1xhk h ILE 632 CO 0.04 0.32 -0.48 0.58 0.00 0.00 0.00 178.15 178.60 1xhk h VAL 633 N -0.20 0.02 0.00 1.67 2.07 -1.24 0.92 116.25 119.48 1xhk h VAL 633 Ca 0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1xhk h VAL 633 Cb 0.54 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1xhk h VAL 633 CO 0.02 0.00 -0.11 1.55 0.02 0.00 0.00 177.57 179.04 1xhk h PRO 634 N -0.05 0.00 0.00 1.57 0.13 -1.73 -0.80 132.00 131.12 1xhk h PRO 634 Ca 0.23 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.30 1xhk h PRO 634 Cb 0.52 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1xhk h PRO 634 CO -0.91 0.11 -0.33 -0.07 -0.23 0.00 0.00 178.00 176.58 1xhk h LEU 635 N 0.00 0.00 0.00 1.56 3.38 -1.00 -3.39 115.31 115.86 1xhk h LEU 635 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1xhk h LEU 635 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1xhk h LEU 635 CO 0.01 0.33 -1.16 1.33 0.09 0.00 0.00 178.44 179.05 1xhk n VAL 636 N -3.20 0.06 -3.30 1.22 0.24 -0.66 -4.94 118.33 107.75 1xhk n VAL 636 Ca 0.02 -0.09 -0.33 0.00 -2.04 0.00 0.00 64.34 61.91 1xhk n VAL 636 Cb 0.65 -0.03 -0.06 0.00 -1.47 0.00 0.00 33.84 32.94 1xhk n VAL 636 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1xhk s PHE 637 N -2.16 3.44 -0.71 6.34 0.40 -0.34 0.12 117.98 125.07 1xhk s PHE 637 Ca -0.01 1.03 -0.13 0.00 -0.60 0.00 0.00 56.93 57.22 1xhk s PHE 637 Cb 0.02 -2.38 0.18 0.00 0.51 0.00 0.00 43.02 41.35 1xhk s PHE 637 CO 0.12 0.23 0.64 0.34 0.70 0.00 0.00 175.22 177.26 1xhk s ASP 638 N -2.23 6.42 0.13 1.36 2.15 -0.41 -4.76 116.67 119.34 1xhk s ASP 638 Ca 0.48 -2.42 0.24 0.00 0.43 0.00 0.00 52.55 51.28 1xhk s ASP 638 Cb -0.12 -2.17 0.32 0.00 -0.30 0.00 0.00 42.92 40.66 1xhk s ASP 638 CO 0.20 -0.64 1.31 -0.07 -0.17 0.00 0.00 175.17 175.80 1xhk h LEU 639 N 8.05 0.00 0.00 -1.34 3.38 -1.95 -3.41 115.31 120.04 1xhk h LEU 639 Ca -0.03 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1xhk h LEU 639 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1xhk h LEU 639 CO 0.83 0.09 0.00 0.47 0.09 0.00 0.00 178.44 179.92