#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z8s h ALA 453 N 0.00 0.25 -1.06 3.04 0.00 -2.12 -3.04 119.26 116.34 1z8s h ALA 453 Ca 0.00 -0.07 -0.69 0.00 0.00 0.00 0.00 54.91 54.15 1z8s h ALA 453 Cb 0.00 -0.08 -0.32 0.00 0.00 0.00 0.00 17.79 17.39 1z8s h ALA 453 CO 0.00 -0.21 0.53 0.36 0.00 0.00 0.00 179.25 179.93 1z8s n LYS 454 N -4.89 2.93 -3.40 0.00 2.85 -1.26 -4.79 118.16 109.60 1z8s n LYS 454 Ca -0.04 -3.68 -0.27 0.00 -1.05 0.00 0.00 58.31 53.27 1z8s n LYS 454 Cb 0.08 -2.27 -0.10 0.00 -0.65 0.00 0.00 35.03 32.08 1z8s n LYS 454 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1z8s s LYS 455 N -3.87 0.74 0.00 -1.58 -0.14 -1.15 -5.04 119.74 108.70 1z8s s LYS 455 Ca 0.55 -1.71 0.00 0.00 -1.36 0.00 0.00 55.97 53.45 1z8s s LYS 455 Cb 0.45 -1.30 0.00 0.00 -1.68 0.00 0.00 37.83 35.30 1z8s s LYS 455 CO -0.22 -1.31 0.66 1.28 -0.76 0.00 0.00 175.35 175.01 1z8s n LEU 456 N 3.40 0.10 -2.74 3.17 4.77 -1.26 -4.84 117.00 119.60 1z8s n LEU 456 Ca 0.21 0.67 -0.04 0.00 -0.03 0.00 0.00 56.01 56.83 1z8s n LEU 456 Cb 0.44 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1z8s n LEU 456 CO 0.10 -0.20 0.21 0.00 -1.33 0.00 0.00 177.39 176.17 1z8s n LEU 457 N -1.11 -3.00 -0.15 2.23 -0.00 -1.26 -5.03 117.00 108.69 1z8s n LEU 457 Ca 0.00 -2.49 -0.10 0.00 -0.00 0.00 0.00 56.01 53.42 1z8s n LEU 457 Cb 0.00 0.71 -0.01 0.00 -0.00 0.00 0.00 43.42 44.13 1z8s n LEU 457 CO 0.00 1.77 0.84 1.55 -0.00 0.00 0.00 177.39 181.55 1z8s h PRO 458 N 4.78 0.70 -1.11 1.47 0.13 -2.00 -3.47 132.00 132.51 1z8s h PRO 458 Ca 0.04 -0.19 0.21 0.00 -0.87 0.00 0.00 66.00 65.19 1z8s h PRO 458 Cb 1.12 -0.08 -0.29 0.00 0.13 0.00 0.00 31.00 31.88 1z8s h PRO 458 CO -0.01 0.74 0.90 0.00 -0.23 0.00 0.00 178.00 179.40 1z8s s ALA 459 N -5.18 -2.13 -0.52 -0.56 0.00 -1.26 -4.92 121.76 107.19 1z8s s ALA 459 Ca -0.13 1.81 -0.03 0.00 0.00 0.00 0.00 51.96 53.61 1z8s s ALA 459 Cb 0.10 -1.55 0.15 0.00 0.00 0.00 0.00 23.12 21.83 1z8s s ALA 459 CO 0.78 -0.20 2.52 1.19 0.00 0.00 0.00 175.76 180.05 1z8s n PHE 460 N 0.88 1.92 0.11 0.00 3.72 -1.26 -4.68 117.46 118.15 1z8s n PHE 460 Ca -0.04 -2.07 0.20 0.00 -0.05 0.00 0.00 57.45 55.49 1z8s n PHE 460 Cb 0.58 -1.30 0.72 0.00 -0.94 0.00 0.00 39.48 38.54 1z8s n PHE 460 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1z8s h GLN 461 N 2.78 0.00 -0.18 -1.08 -0.00 -1.96 -0.54 115.11 114.13 1z8s h GLN 461 Ca 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.06 1z8s h GLN 461 Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.09 1z8s h GLN 461 CO 1.00 0.00 0.07 -0.97 0.00 0.00 0.00 178.83 178.93 1z8s h ASN 462 N 0.00 0.25 -0.20 -0.69 -1.24 -2.00 0.47 115.58 112.17 1z8s h ASN 462 Ca 0.19 -0.17 -0.14 0.00 0.71 0.00 0.00 56.30 56.89 1z8s h ASN 462 Cb 1.18 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 40.16 1z8s h ASN 462 CO -0.00 0.35 -0.35 0.00 -1.29 0.00 0.00 177.43 176.13 1z8s h ALA 463 N 0.91 0.78 -0.49 1.57 0.00 -1.41 -2.68 119.26 117.94 1z8s h ALA 463 Ca 0.06 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1z8s h ALA 463 Cb 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1z8s h ALA 463 CO -0.00 0.65 0.25 0.93 0.00 0.00 0.00 179.25 181.08 1z8s h GLU 464 N 0.60 0.67 -0.17 0.00 5.08 -1.15 0.89 114.58 120.51 1z8s h GLU 464 Ca 0.06 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1z8s h GLU 464 Cb 0.88 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1z8s h GLU 464 CO 0.08 0.51 -0.26 0.07 -1.00 0.00 0.00 179.01 178.42 1z8s h ARG 465 N 0.68 0.47 -0.08 2.33 0.11 -0.65 -1.49 114.38 115.75 1z8s h ARG 465 Ca 0.17 -0.28 -0.16 0.00 0.10 0.00 0.00 59.98 59.81 1z8s h ARG 465 Cb 0.05 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.15 1z8s h ARG 465 CO -0.03 0.87 -0.65 1.37 0.10 0.00 0.00 179.97 181.64 1z8s h LEU 466 N 0.10 0.38 -0.46 0.08 -0.00 -1.16 -2.61 115.31 111.65 1z8s h LEU 466 Ca 0.02 -0.23 0.09 0.00 -0.00 0.00 0.00 57.88 57.75 1z8s h LEU 466 Cb 0.83 -0.11 -0.07 0.00 -0.00 0.00 0.00 40.66 41.31 1z8s h LEU 466 CO 0.06 0.93 0.00 0.25 -0.00 0.00 0.00 178.44 179.68 1z8s h LEU 467 N 0.24 -0.19 -0.86 0.17 7.12 0.87 0.28 115.31 122.93 1z8s h LEU 467 Ca -0.01 0.11 0.13 0.00 0.13 0.00 0.00 57.88 58.23 1z8s h LEU 467 Cb 1.19 0.19 -0.09 0.00 -0.53 0.00 0.00 40.66 41.43 1z8s h LEU 467 CO 0.11 -0.06 0.48 -0.07 -0.13 0.00 0.00 178.44 178.76 1z8s h LEU 468 N 0.11 0.63 -0.89 2.25 4.07 -0.99 -1.42 115.31 119.06 1z8s h LEU 468 Ca 0.23 0.07 0.09 0.00 0.08 0.00 0.00 57.88 58.35 1z8s h LEU 468 Cb 0.33 -0.04 -0.07 0.00 1.08 0.00 0.00 40.66 41.96 1z8s h LEU 468 CO -0.38 0.30 0.54 0.00 -1.08 0.00 0.00 178.44 177.83 1z8s h ALA 469 N 1.53 1.27 0.08 1.53 0.00 -0.10 0.75 119.26 124.32 1z8s h ALA 469 Ca 0.45 0.01 -0.28 0.00 0.00 0.00 0.00 54.91 55.09 1z8s h ALA 469 Cb 0.56 -0.20 0.03 0.00 0.00 0.00 0.00 17.79 18.18 1z8s h ALA 469 CO -0.32 0.22 -1.15 1.12 0.00 0.00 0.00 179.25 179.12 1z8s h HIS 470 N 0.94 1.02 -0.05 0.00 2.07 -0.78 -3.28 115.15 115.07 1z8s h HIS 470 Ca 0.42 -0.61 -0.13 0.00 -2.85 0.00 0.00 60.37 57.19 1z8s h HIS 470 Cb 0.31 -0.09 -0.01 0.00 2.57 0.00 0.00 27.41 30.18 1z8s h HIS 470 CO -0.03 1.45 -0.58 0.00 -3.07 0.00 0.00 177.93 175.69 1z8s h MET 471 N 0.30 0.15 0.00 5.12 3.00 -1.08 -2.86 114.93 119.57 1z8s h MET 471 Ca -0.17 -0.10 0.00 0.00 0.00 0.00 0.00 59.70 59.43 1z8s h MET 471 Cb 1.82 0.01 0.00 0.00 0.00 0.00 0.00 31.60 33.44 1z8s h MET 471 CO 0.22 0.69 0.00 -1.33 0.00 0.00 0.00 176.91 176.50 1z8s n MET 472 N -3.87 0.00 -0.05 -0.10 2.81 0.26 -3.07 117.12 113.09 1z8s n MET 472 Ca -0.02 0.33 -0.04 0.00 -1.81 0.00 0.00 57.70 56.17 1z8s n MET 472 Cb 0.60 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.59 1z8s n MET 472 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1z8s n ARG 473 N -1.34 0.35 -4.17 0.03 3.00 -1.08 -4.39 116.66 109.06 1z8s n ARG 473 Ca 0.00 0.43 -0.16 0.00 -0.00 0.00 0.00 57.85 58.13 1z8s n ARG 473 Cb 0.00 -1.44 -0.11 0.00 0.00 0.00 0.00 32.46 30.91 1z8s n ARG 473 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1z8s s SER 474 N -5.23 1.51 0.51 6.15 1.04 -1.17 -4.86 113.70 111.65 1z8s s SER 474 Ca -0.12 -0.74 0.15 0.00 0.48 0.00 0.00 55.95 55.72 1z8s s SER 474 Cb 0.02 -0.01 1.22 0.00 0.10 0.00 0.00 66.02 67.34 1z8s s SER 474 CO 0.18 -0.20 2.13 0.08 0.98 0.00 0.00 173.24 176.41 1z8s h ARG 475 N 3.82 0.02 -0.30 4.02 0.11 -1.82 0.14 114.38 120.36 1z8s h ARG 475 Ca -0.38 -0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.67 1z8s h ARG 475 Cb 1.19 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.25 1z8s h ARG 475 CO 0.48 0.04 0.07 0.22 0.10 0.00 0.00 179.97 180.89 1z8s h ASP 476 N 0.02 0.45 -0.57 0.08 3.58 -1.93 -1.07 116.42 116.99 1z8s h ASP 476 Ca 0.01 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.20 1z8s h ASP 476 Cb 0.04 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 1z8s h ASP 476 CO 0.00 0.57 0.28 0.58 -2.88 0.00 0.00 179.24 177.79 1z8s h VAL 477 N 0.32 1.20 -0.70 2.25 2.07 -1.52 0.30 116.25 120.17 1z8s h VAL 477 Ca 0.09 -0.58 0.15 0.00 0.82 0.00 0.00 66.70 67.19 1z8s h VAL 477 Cb 0.29 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1z8s h VAL 477 CO 0.00 0.24 0.48 0.00 0.02 0.00 0.00 177.57 178.31 1z8s h ALA 478 N 1.46 2.22 -0.23 1.67 0.00 0.41 0.65 119.26 125.44 1z8s h ALA 478 Ca 0.21 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 1z8s h ALA 478 Cb 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1z8s h ALA 478 CO -0.03 -0.42 -0.47 1.37 0.00 0.00 0.00 179.25 179.71 1z8s h LEU 479 N 0.31 0.65 -0.40 0.00 8.10 0.15 -2.59 115.31 121.54 1z8s h LEU 479 Ca 0.34 -0.32 -0.00 0.00 0.11 0.00 0.00 57.88 58.01 1z8s h LEU 479 Cb 0.91 -0.19 -0.02 0.00 -0.44 0.00 0.00 40.66 40.92 1z8s h LEU 479 CO -0.09 1.02 0.23 0.58 -4.11 0.00 0.00 178.44 176.08 1z8s h VAL 480 N 0.48 1.13 0.37 0.15 2.07 0.63 0.84 116.25 121.93 1z8s h VAL 480 Ca 0.03 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1z8s h VAL 480 Cb 1.00 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1z8s h VAL 480 CO 0.09 0.14 -0.18 1.62 0.02 0.00 0.00 177.57 179.26 1z8s h VAL 481 N 0.52 0.65 -0.09 2.57 3.04 -1.14 0.88 116.25 122.67 1z8s h VAL 481 Ca 0.14 -0.16 -0.02 0.00 -1.01 0.00 0.00 66.70 65.66 1z8s h VAL 481 Cb 0.01 0.73 -0.00 0.00 -2.01 0.00 0.00 31.29 30.02 1z8s h VAL 481 CO -0.03 0.03 -0.01 1.56 -1.01 0.00 0.00 177.57 178.12 1z8s h GLN 482 N -0.58 0.16 0.09 4.17 1.08 -1.35 0.44 115.11 119.12 1z8s h GLN 482 Ca -0.05 -0.06 -0.12 0.00 -1.45 0.00 0.00 58.65 56.97 1z8s h GLN 482 Cb 0.43 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 27.86 1z8s h GLN 482 CO 0.08 0.45 -0.53 1.49 -0.95 0.00 0.00 178.83 179.37 1z8s h GLU 483 N -0.14 0.21 -0.00 1.46 4.81 0.67 0.12 114.58 121.70 1z8s h GLU 483 Ca 0.02 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1z8s h GLU 483 Cb 0.38 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1z8s h GLU 483 CO 0.01 1.15 -0.02 -2.13 -0.73 0.00 0.00 179.01 177.28 1z8s n ARG 484 N -4.29 0.67 0.02 1.92 0.63 0.30 -4.51 116.66 111.40 1z8s n ARG 484 Ca -0.12 -0.07 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 1z8s n ARG 484 Cb 0.70 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.11 1z8s n ARG 484 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 1z8s n ILE 485 N -1.10 0.00 -4.19 5.15 -5.35 -0.72 -4.87 119.36 108.29 1z8s n ILE 485 Ca 0.17 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.35 1z8s n ILE 485 Cb 0.22 -0.41 -0.09 0.00 -1.74 0.00 0.00 39.64 37.62 1z8s n ILE 485 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1z8s n GLY 486 N 0.94 -0.14 2.28 3.28 0.00 0.15 -4.86 105.19 106.85 1z8s n GLY 486 Ca 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 1z8s n GLY 486 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z8s n GLY 487 N -2.29 0.93 3.15 -0.02 0.00 -1.26 -5.06 105.19 100.64 1z8s n GLY 487 Ca -0.25 -2.03 0.06 0.00 0.00 0.00 0.00 46.02 43.79 1z8s n GLY 487 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1z8s s ARG 488 N -3.90 0.12 0.03 1.61 3.03 -1.26 -5.05 118.95 113.52 1z8s s ARG 488 Ca 0.38 0.14 0.00 0.00 2.03 0.00 0.00 55.73 58.28 1z8s s ARG 488 Cb -0.02 0.07 0.00 0.00 -1.03 0.00 0.00 34.95 33.97 1z8s s ARG 488 CO 0.25 -0.20 0.04 1.19 -1.13 0.00 0.00 175.30 175.45 1z8s n PHE 489 N 5.17 -3.20 -1.30 5.89 3.72 -1.26 -4.98 117.46 121.51 1z8s n PHE 489 Ca 0.06 -0.08 -0.23 0.00 -0.05 0.00 0.00 57.45 57.15 1z8s n PHE 489 Cb 0.57 -0.03 -0.04 0.00 -0.94 0.00 0.00 39.48 39.04 1z8s n PHE 489 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1z8s n ASN 490 N -2.99 6.38 -3.91 4.37 3.02 -1.26 -4.83 115.26 116.05 1z8s n ASN 490 Ca 0.01 -3.12 -0.29 0.00 -0.03 0.00 0.00 54.58 51.15 1z8s n ASN 490 Cb 0.02 -1.20 -0.16 0.00 -0.61 0.00 0.00 39.78 37.83 1z8s n ASN 490 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1z8s s ILE 491 N -2.02 1.21 0.20 2.41 1.01 -1.26 -5.01 121.20 117.74 1z8s s ILE 491 Ca 0.52 -0.72 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 1z8s s ILE 491 Cb 0.34 -1.38 0.05 0.00 0.01 0.00 0.00 42.46 41.48 1z8s s ILE 491 CO -0.15 0.12 1.63 -0.33 0.00 0.00 0.00 174.94 176.21 1z8s h GLU 492 N 8.09 0.93 0.12 2.79 5.08 -1.97 -0.30 114.58 129.30 1z8s h GLU 492 Ca -0.24 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 57.77 1z8s h GLU 492 Cb 1.11 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1z8s h GLU 492 CO 0.41 1.00 -0.06 0.93 -1.00 0.00 0.00 179.01 180.29 1z8s h GLU 493 N 0.83 -0.15 -0.27 2.33 3.07 -1.98 -1.03 114.58 117.38 1z8s h GLU 493 Ca 0.13 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.02 1z8s h GLU 493 Cb 0.66 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.59 1z8s h GLU 493 CO 0.05 0.33 0.14 0.45 -1.40 0.00 0.00 179.01 178.58 1z8s h HIS 494 N -0.86 0.26 -0.39 4.33 3.86 -1.99 -0.78 115.15 119.56 1z8s h HIS 494 Ca -0.02 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1z8s h HIS 494 Cb 0.55 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 1z8s h HIS 494 CO 0.11 0.14 0.23 -0.09 0.86 0.00 0.00 177.93 179.18 1z8s h ARG 495 N 0.29 0.53 -0.09 2.45 2.43 -1.15 -0.12 114.38 118.72 1z8s h ARG 495 Ca 0.11 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1z8s h ARG 495 Cb 0.03 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1z8s h ARG 495 CO -0.07 0.38 0.01 0.00 -1.51 0.00 0.00 179.97 178.77 1z8s h ALA 496 N 1.71 1.84 0.24 2.80 0.00 0.24 0.55 119.26 126.65 1z8s h ALA 496 Ca 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1z8s h ALA 496 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1z8s h ALA 496 CO -0.03 0.13 -0.12 1.25 0.00 0.00 0.00 179.25 180.48 1z8s h LEU 497 N 0.13 -0.27 -1.45 0.00 7.12 -0.39 1.23 115.31 121.68 1z8s h LEU 497 Ca 0.03 -0.25 0.10 0.00 0.13 0.00 0.00 57.88 57.89 1z8s h LEU 497 Cb 0.08 0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 40.23 1z8s h LEU 497 CO 0.00 0.21 0.49 0.00 -0.13 0.00 0.00 178.44 179.00 1z8s h ALA 498 N -0.37 1.86 -0.10 1.25 0.00 -1.13 0.13 119.26 120.89 1z8s h ALA 498 Ca -0.03 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1z8s h ALA 498 Cb 0.51 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1z8s h ALA 498 CO 0.05 -0.02 -0.73 0.00 0.00 0.00 0.00 179.25 178.55 1z8s h ALA 499 N 1.63 0.53 -0.07 0.00 0.00 0.21 -3.22 119.26 118.34 1z8s h ALA 499 Ca 0.34 -0.60 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1z8s h ALA 499 Cb 0.51 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1z8s h ALA 499 CO -0.12 0.74 -0.42 1.88 0.00 0.00 0.00 179.25 181.33 1z8s h TYR 500 N 0.35 -1.19 0.11 0.00 0.05 0.43 -2.24 116.97 114.48 1z8s h TYR 500 Ca -0.03 0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.81 1z8s h TYR 500 Cb 1.32 0.53 -0.04 0.00 1.01 0.00 0.00 36.73 39.55 1z8s h TYR 500 CO 0.05 -0.48 -0.39 -0.84 -1.05 0.00 0.00 178.16 175.45 1z8s h ILE 501 N -0.53 0.21 -0.90 -2.88 -0.00 -1.56 0.45 117.51 112.30 1z8s h ILE 501 Ca 0.06 0.00 0.17 0.00 -0.00 0.00 0.00 64.86 65.09 1z8s h ILE 501 Cb 0.64 0.21 -0.17 0.00 -0.00 0.00 0.00 36.82 37.50 1z8s h ILE 501 CO -0.36 0.00 -0.27 0.22 -0.00 0.00 0.00 178.15 177.74 1z8s h TYR 502 N -0.61 -0.66 -0.13 0.16 3.20 -1.49 0.72 116.97 118.16 1z8s h TYR 502 Ca 0.03 0.09 -0.17 0.00 3.14 0.00 0.00 58.73 61.81 1z8s h TYR 502 Cb 0.65 0.43 0.01 0.00 1.54 0.00 0.00 36.73 39.35 1z8s h TYR 502 CO -0.35 -0.39 -0.59 0.00 -1.64 0.00 0.00 178.16 175.19 1z8s h ALA 503 N 1.71 0.25 -0.29 1.82 0.00 -1.00 -3.18 119.26 118.57 1z8s h ALA 503 Ca 0.40 -0.54 0.09 0.00 0.00 0.00 0.00 54.91 54.86 1z8s h ALA 503 Cb 0.64 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1z8s h ALA 503 CO -0.93 0.49 0.31 0.74 0.00 0.00 0.00 179.25 179.87 1z8s h PHE 504 N 0.29 0.00 -0.43 0.00 -1.00 0.21 -1.15 116.94 114.86 1z8s h PHE 504 Ca -0.04 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.78 1z8s h PHE 504 Cb 1.23 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.75 1z8s h PHE 504 CO 0.10 0.00 0.22 1.88 -1.61 0.00 0.00 178.31 178.90 1z8s h TYR 505 N 0.00 0.40 -0.00 -0.55 0.05 -1.08 0.76 116.97 116.55 1z8s h TYR 505 Ca 0.14 0.02 -0.12 0.00 0.05 0.00 0.00 58.73 58.82 1z8s h TYR 505 Cb 0.76 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.37 1z8s h TYR 505 CO 0.00 0.21 -0.57 1.49 -1.05 0.00 0.00 178.16 178.24 1z8s h GLU 506 N 0.44 0.00 0.00 4.88 4.57 -1.39 -1.68 114.58 121.40 1z8s h GLU 506 Ca 0.18 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1z8s h GLU 506 Cb 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1z8s h GLU 506 CO -0.12 0.57 0.00 -1.91 -1.18 0.00 0.00 179.01 176.37 1z8s n GLU 507 N -3.86 0.00 0.00 1.92 4.07 -0.50 -4.71 120.64 117.55 1z8s n GLU 507 Ca -0.01 0.45 0.00 0.00 -0.06 0.00 0.00 57.16 57.53 1z8s n GLU 507 Cb 0.57 -1.28 0.00 0.00 -0.06 0.00 0.00 31.44 30.67 1z8s n GLU 507 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1z8s n GLY 508 N 0.03 0.03 2.18 8.31 0.00 0.14 -5.01 105.19 110.88 1z8s n GLY 508 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1z8s n GLY 508 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1z8s n HIS 509 N -0.06 -0.45 -3.44 1.61 8.25 -0.60 -5.00 115.22 115.54 1z8s n HIS 509 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1z8s n HIS 509 Cb 0.12 -2.37 -0.04 0.00 1.12 0.00 0.00 29.99 28.83 1z8s n HIS 509 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1z8s s GLU 510 N -4.47 0.39 -0.65 -0.41 2.12 -1.25 -4.61 118.70 109.81 1z8s s GLU 510 Ca 0.00 0.93 -0.25 0.00 0.36 0.00 0.00 54.97 56.01 1z8s s GLU 510 Cb 0.00 0.56 -0.22 0.00 0.26 0.00 0.00 34.13 34.73 1z8s s GLU 510 CO 0.00 -0.17 1.85 0.00 -0.54 0.00 0.00 175.26 176.39 1z8s n ALA 511 N 5.18 1.92 -1.53 6.30 0.00 -1.26 -4.88 120.51 126.24 1z8s n ALA 511 Ca -0.09 -2.94 -0.48 0.00 0.00 0.00 0.00 53.44 49.93 1z8s n ALA 511 Cb 0.51 -3.61 -0.05 0.00 0.00 0.00 0.00 19.45 16.30 1z8s n ALA 511 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1z8s n ASP 512 N 10.72 2.70 0.19 0.00 8.00 -1.26 -4.71 116.55 132.19 1z8s n ASP 512 Ca 0.47 0.42 -0.15 0.00 0.71 0.00 0.00 54.79 56.24 1z8s n ASP 512 Cb 0.43 -1.38 -0.08 0.00 -0.02 0.00 0.00 41.12 40.07 1z8s n ASP 512 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1z8s h PRO 513 N 12.86 -0.70 -0.51 -0.24 0.13 -1.90 0.69 132.00 142.33 1z8s h PRO 513 Ca -0.35 0.05 0.09 0.00 -0.87 0.00 0.00 66.00 64.92 1z8s h PRO 513 Cb 1.29 0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.55 1z8s h PRO 513 CO 0.99 -0.47 0.35 0.78 -0.23 0.00 0.00 178.00 179.42 1z8s h GLY 514 N -0.73 0.43 0.00 1.56 0.00 -1.95 0.89 103.07 103.27 1z8s h GLY 514 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1z8s h GLY 514 CO -0.14 0.08 -0.04 0.00 0.00 0.00 0.00 176.54 176.45 1z8s h ALA 515 N 1.74 0.01 0.02 3.60 0.00 -1.77 -3.32 119.26 119.54 1z8s h ALA 515 Ca 0.23 -0.27 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 1z8s h ALA 515 Cb 0.51 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.35 1z8s h ALA 515 CO -0.05 0.03 -1.08 1.37 0.00 0.00 0.00 179.25 179.51 1z8s h LEU 516 N -1.00 0.90 -2.02 0.00 8.10 0.49 -3.23 115.31 118.56 1z8s h LEU 516 Ca -0.01 -0.74 0.11 0.00 0.11 0.00 0.00 57.88 57.35 1z8s h LEU 516 Cb 0.50 -0.28 -0.02 0.00 -0.44 0.00 0.00 40.66 40.42 1z8s h LEU 516 CO -0.00 1.55 0.29 0.40 -4.11 0.00 0.00 178.44 176.56 1z8s h ILE 517 N 0.37 0.76 -1.48 0.15 1.08 0.70 -0.77 117.51 118.32 1z8s h ILE 517 Ca -0.14 0.00 -0.71 0.00 -0.39 0.00 0.00 64.86 63.62 1z8s h ILE 517 Cb 1.74 0.79 -0.29 0.00 -3.07 0.00 0.00 36.82 35.99 1z8s h ILE 517 CO 0.21 0.00 0.83 -1.20 -0.69 0.00 0.00 178.15 177.30 1z8s n SER 518 N -4.35 7.40 0.00 1.72 7.64 -1.22 -4.26 113.62 120.56 1z8s n SER 518 Ca 0.06 -3.81 0.00 0.00 1.01 0.00 0.00 58.87 56.14 1z8s n SER 518 Cb 0.48 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 1z8s n SER 518 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1z8s n ARG 519 N -0.72 4.72 -1.93 1.43 3.00 -0.29 -4.99 116.66 117.88 1z8s n ARG 519 Ca 0.57 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 58.13 1z8s n ARG 519 Cb 0.47 -0.39 0.11 0.00 0.00 0.00 0.00 32.46 32.65 1z8s n ARG 519 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1z8s s ILE 520 N -0.76 2.02 0.00 5.15 -0.00 -1.26 -5.04 121.20 121.32 1z8s s ILE 520 Ca 0.00 -0.02 -0.07 0.00 -0.00 0.00 0.00 60.65 60.55 1z8s s ILE 520 Cb 0.00 -3.00 -0.04 0.00 -0.00 0.00 0.00 42.46 39.42 1z8s s ILE 520 CO 0.00 0.00 0.83 -0.65 -0.00 0.00 0.00 174.94 175.12 1z8s h PRO 521 N -1.14 -0.25 0.00 0.37 0.11 -1.97 -3.45 132.00 125.66 1z8s h PRO 521 Ca -0.45 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1z8s h PRO 521 Cb 1.31 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1z8s h PRO 521 CO 0.60 -0.17 0.00 0.41 -0.21 0.00 0.00 178.00 178.63 1z8s n GLY 522 N -0.31 0.00 0.13 -0.55 0.00 -1.26 -4.91 105.19 98.29 1z8s n GLY 522 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 1z8s n GLY 522 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1z8s h GLU 523 N 0.00 0.37 0.00 1.61 4.81 -2.02 -3.28 114.58 116.08 1z8s h GLU 523 Ca 0.00 -0.63 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 1z8s h GLU 523 Cb 0.00 0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1z8s h GLU 523 CO 0.00 1.30 0.00 1.25 -0.73 0.00 0.00 179.01 180.83 1z8s h LEU 524 N -0.17 0.00 0.52 1.64 6.46 -1.94 -2.75 115.31 119.08 1z8s h LEU 524 Ca -0.22 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.51 1z8s h LEU 524 Cb 1.86 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.79 1z8s h LEU 524 CO 0.17 0.00 -0.29 1.56 -0.62 0.00 0.00 178.44 179.27 1z8s h GLN 525 N 0.00 -0.72 -0.57 1.25 1.08 -1.81 1.07 115.11 115.42 1z8s h GLN 525 Ca 0.00 0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.19 1z8s h GLN 525 Cb 0.60 0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.17 1z8s h GLN 525 CO 0.00 -0.48 0.13 -1.00 -0.95 0.00 0.00 178.83 176.53 1z8s h PRO 526 N -0.75 0.92 0.58 1.46 0.13 -1.69 -1.89 132.00 130.76 1z8s h PRO 526 Ca -0.07 -0.23 -0.03 0.00 -0.87 0.00 0.00 66.00 64.80 1z8s h PRO 526 Cb 0.59 -0.12 0.01 0.00 0.13 0.00 0.00 31.00 31.60 1z8s h PRO 526 CO 0.09 0.86 -0.28 1.25 -0.23 0.00 0.00 178.00 179.70 1z8s h LEU 527 N 0.82 -0.65 -0.61 1.56 5.85 -1.46 -2.62 115.31 118.20 1z8s h LEU 527 Ca 0.18 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.93 1z8s h LEU 527 Cb 0.36 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 1z8s h LEU 527 CO 0.00 -0.38 0.33 0.00 -0.34 0.00 0.00 178.44 178.05 1z8s h ALA 528 N -0.55 0.80 -0.44 1.25 0.00 0.12 0.95 119.26 121.38 1z8s h ALA 528 Ca -0.08 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1z8s h ALA 528 Cb 0.64 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1z8s h ALA 528 CO 0.13 0.00 0.10 0.66 0.00 0.00 0.00 179.25 180.14 1z8s h SER 529 N 0.62 0.03 0.11 0.00 4.64 -1.33 0.29 113.55 117.91 1z8s h SER 529 Ca 0.27 0.07 -0.19 0.00 -0.47 0.00 0.00 61.79 61.47 1z8s h SER 529 Cb 0.15 0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1z8s h SER 529 CO -0.17 0.05 -0.69 -0.33 -0.87 0.00 0.00 176.83 174.82 1z8s h GLU 530 N 0.24 0.53 0.00 4.77 4.39 -1.04 -3.10 114.58 120.37 1z8s h GLU 530 Ca 0.21 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1z8s h GLU 530 Cb 0.26 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1z8s h GLU 530 CO -0.27 1.03 0.00 -0.07 -1.16 0.00 0.00 179.01 178.54 1z8s h LEU 531 N 0.38 0.00 -1.71 1.33 4.07 0.21 0.68 115.31 120.26 1z8s h LEU 531 Ca -0.03 0.00 0.28 0.00 0.08 0.00 0.00 57.88 58.22 1z8s h LEU 531 Cb 1.27 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.97 1z8s h LEU 531 CO 0.13 0.00 0.89 0.77 -1.08 0.00 0.00 178.44 179.15 1z8s h SER 532 N 0.00 0.00 0.00 -0.43 4.64 -0.39 -3.16 113.55 114.21 1z8s h SER 532 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1z8s h SER 532 Cb 0.31 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.34 1z8s h SER 532 CO 0.00 0.00 0.02 -0.11 -0.87 0.00 0.00 176.83 175.87 1z8s n LEU 533 N -3.73 -0.73 -0.21 5.97 7.94 -1.16 -4.61 117.00 120.48 1z8s n LEU 533 Ca 0.21 -1.73 -0.08 0.00 -1.11 0.00 0.00 56.01 53.30 1z8s n LEU 533 Cb 1.21 0.77 0.06 0.00 0.53 0.00 0.00 43.42 45.99 1z8s n LEU 533 CO 0.32 1.20 0.87 0.17 -1.11 0.00 0.00 177.39 178.83 1z8s h LEU 534 N 0.67 1.01 -5.75 -1.96 -0.00 -0.84 -3.35 115.31 105.10 1z8s h LEU 534 Ca -0.30 -0.26 -0.44 0.00 -0.00 0.00 0.00 57.88 56.88 1z8s h LEU 534 Cb 1.15 -0.27 -0.38 0.00 -0.00 0.00 0.00 40.66 41.16 1z8s h LEU 534 CO -0.11 1.04 -1.12 0.00 -0.00 0.00 0.00 178.44 178.24 1z8s n LEU 535 N -4.20 0.61 -3.44 0.17 -0.00 -1.26 -5.05 117.00 103.84 1z8s n LEU 535 Ca 0.04 -4.68 -0.13 0.00 -0.00 0.00 0.00 56.01 51.24 1z8s n LEU 535 Cb 0.32 0.68 -0.03 0.00 -0.00 0.00 0.00 43.42 44.39 1z8s n LEU 535 CO 0.43 2.16 0.43 -0.51 -0.00 0.00 0.00 177.39 179.90 1z8s s ILE 536 N -2.27 0.00 0.42 1.47 2.07 -1.26 -5.01 121.20 116.62 1z8s s ILE 536 Ca 0.36 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.68 1z8s s ILE 536 Cb 0.36 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.93 1z8s s ILE 536 CO -0.06 0.00 0.33 0.00 -1.91 0.00 0.00 174.94 173.30 1z8s s ALA 537 N -3.32 3.96 0.58 1.50 0.00 -1.26 -4.88 121.76 118.33 1z8s s ALA 537 Ca -0.01 -1.93 0.28 0.00 0.00 0.00 0.00 51.96 50.30 1z8s s ALA 537 Cb -0.01 -0.85 1.51 0.00 0.00 0.00 0.00 23.12 23.77 1z8s s ALA 537 CO -0.09 -0.22 1.97 -0.44 0.00 0.00 0.00 175.76 176.98 1z8s h ASP 538 N 1.12 0.00 -0.30 0.00 3.32 -2.01 0.78 116.42 119.33 1z8s h ASP 538 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1z8s h ASP 538 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1z8s h ASP 538 CO 0.60 0.00 0.00 -0.67 -1.72 0.00 0.00 179.24 177.45 1z8s n ASP 539 N -3.89 2.27 0.00 6.45 2.03 -1.26 -4.92 116.55 117.23 1z8s n ASP 539 Ca 0.07 -1.86 0.00 0.00 0.52 0.00 0.00 54.79 53.52 1z8s n ASP 539 Cb 0.57 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 1z8s n ASP 539 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1z8s n VAL 540 N 0.72 0.00 -2.42 5.18 0.31 0.27 -4.31 118.33 118.08 1z8s n VAL 540 Ca 0.16 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1z8s n VAL 540 Cb 0.40 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.33 1z8s n VAL 540 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1z8s n SER 541 N 0.00 -6.39 -0.10 4.52 2.88 -1.26 -4.06 113.62 109.22 1z8s n SER 541 Ca 0.00 1.09 -0.07 0.00 -1.33 0.00 0.00 58.87 58.56 1z8s n SER 541 Cb 0.00 -4.29 -0.01 0.00 -0.75 0.00 0.00 64.21 59.16 1z8s n SER 541 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1z8s h GLU 542 N 2.34 -0.21 -0.89 -1.46 4.81 -1.99 0.62 114.58 117.80 1z8s h GLU 542 Ca -0.01 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1z8s h GLU 542 Cb 0.03 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.38 1z8s h GLU 542 CO 0.07 -0.14 0.52 1.96 -0.73 0.00 0.00 179.01 180.69 1z8s h GLN 543 N -0.22 0.80 -0.29 1.92 1.08 -1.98 -1.17 115.11 115.26 1z8s h GLN 543 Ca 0.17 -0.05 -0.18 0.00 -1.45 0.00 0.00 58.65 57.14 1z8s h GLN 543 Cb 0.49 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1z8s h GLN 543 CO -0.48 0.53 -0.53 0.93 -0.95 0.00 0.00 178.83 178.32 1z8s h GLU 544 N 0.83 0.87 -0.21 1.46 4.39 -1.45 -2.20 114.58 118.27 1z8s h GLU 544 Ca 0.44 -0.54 0.05 0.00 0.34 0.00 0.00 59.36 59.65 1z8s h GLU 544 Cb 0.46 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.12 1z8s h GLU 544 CO -0.27 1.18 -0.11 1.25 -1.16 0.00 0.00 179.01 179.90 1z8s h LEU 545 N 0.67 -0.36 -0.91 1.33 5.85 0.14 -1.00 115.31 121.03 1z8s h LEU 545 Ca 0.02 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1z8s h LEU 545 Cb 1.14 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 1z8s h LEU 545 CO 0.12 -0.14 -0.31 1.05 -0.34 0.00 0.00 178.44 178.82 1z8s h GLU 546 N -0.09 0.00 0.25 1.25 4.11 -1.44 -2.53 114.58 116.13 1z8s h GLU 546 Ca 0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.53 1z8s h GLU 546 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1z8s h GLU 546 CO -0.26 0.31 -0.12 -0.44 0.07 0.00 0.00 179.01 178.56 1z8s h ASP 547 N 0.00 -0.28 0.03 3.06 5.19 -0.59 -2.64 116.42 121.19 1z8s h ASP 547 Ca -0.00 -0.24 -0.20 0.00 -0.62 0.00 0.00 57.03 55.96 1z8s h ASP 547 Cb 0.87 0.07 0.02 0.00 0.18 0.00 0.00 39.33 40.48 1z8s h ASP 547 CO 0.04 0.19 -0.81 0.10 -3.12 0.00 0.00 179.24 175.63 1z8s h TYR 548 N -0.86 0.76 -0.49 4.55 -0.00 -1.33 -2.42 116.97 117.18 1z8s h TYR 548 Ca -0.03 -0.43 0.08 0.00 0.00 0.00 0.00 58.73 58.34 1z8s h TYR 548 Cb 0.51 -0.08 -0.07 0.00 0.00 0.00 0.00 36.73 37.10 1z8s h TYR 548 CO 0.05 1.27 0.10 0.82 -0.00 0.00 0.00 178.16 180.40 1z8s h ILE 549 N 0.03 0.73 -0.88 -0.90 2.04 -1.60 0.69 117.51 117.61 1z8s h ILE 549 Ca -0.11 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.71 1z8s h ILE 549 Cb 1.52 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 1z8s h ILE 549 CO 0.16 0.04 0.58 0.03 0.00 0.00 0.00 178.15 178.96 1z8s h ARG 550 N 0.23 1.04 -0.51 2.37 2.47 -1.51 -0.67 114.38 117.80 1z8s h ARG 550 Ca 0.24 -0.06 -0.09 0.00 -1.26 0.00 0.00 59.98 58.81 1z8s h ARG 550 Cb 0.32 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 1z8s h ARG 550 CO -0.32 0.69 -0.06 0.45 0.56 0.00 0.00 179.97 181.30 1z8s h HIS 551 N 1.07 0.98 0.00 3.04 3.86 -0.03 -2.51 115.15 121.56 1z8s h HIS 551 Ca 0.36 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1z8s h HIS 551 Cb 0.07 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.28 1z8s h HIS 551 CO -0.00 0.91 -0.04 0.28 0.86 0.00 0.00 177.93 179.94 1z8s h VAL 552 N 0.82 1.02 -0.13 2.45 2.07 0.17 -2.92 116.25 119.72 1z8s h VAL 552 Ca 0.14 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1z8s h VAL 552 Cb 0.57 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.35 1z8s h VAL 552 CO 0.03 0.04 -0.37 0.25 0.02 0.00 0.00 177.57 177.55 1z8s h LEU 553 N 0.00 -1.15 2.15 2.57 5.85 -0.93 -3.45 115.31 120.35 1z8s h LEU 553 Ca -0.00 0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1z8s h LEU 553 Cb 0.08 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1z8s h LEU 553 CO 0.01 -0.39 -0.12 -3.20 -0.34 0.00 0.00 178.44 174.39 1z8s n ASN 554 N -5.43 -1.99 -4.54 1.25 5.15 -1.10 -4.89 115.26 103.71 1z8s n ASN 554 Ca -0.04 0.38 -0.29 0.00 -0.60 0.00 0.00 54.58 54.03 1z8s n ASN 554 Cb 0.35 -1.79 -0.08 0.00 -0.53 0.00 0.00 39.78 37.72 1z8s n ASN 554 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1z8s s ARG 555 N -5.04 2.05 -0.59 1.20 3.00 -1.26 -5.02 118.95 113.29 1z8s s ARG 555 Ca 0.01 -2.26 -0.08 0.00 0.00 0.00 0.00 55.73 53.40 1z8s s ARG 555 Cb -0.01 -1.23 -0.07 0.00 0.00 0.00 0.00 34.95 33.64 1z8s s ARG 555 CO 0.01 -0.34 1.75 -2.30 0.00 0.00 0.00 175.30 174.42 1z8s n PRO 556 N -1.08 1.30 -3.98 3.54 -0.02 -1.26 -4.72 135.00 128.78 1z8s n PRO 556 Ca -0.12 -1.22 -0.31 0.00 -2.02 0.00 0.00 63.50 59.83 1z8s n PRO 556 Cb 0.66 -2.40 -0.15 0.00 -0.02 0.00 0.00 33.50 31.59 1z8s n PRO 556 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1z8s s LYS 557 N 4.30 1.81 0.55 -0.52 2.47 -1.26 -4.80 119.74 122.29 1z8s s LYS 557 Ca 0.33 -1.13 0.25 0.00 -1.56 0.00 0.00 55.97 53.86 1z8s s LYS 557 Cb 0.08 -2.70 1.45 0.00 -1.46 0.00 0.00 37.83 35.21 1z8s s LYS 557 CO 0.02 -0.60 2.05 0.11 0.16 0.00 0.00 175.35 177.09 1z8s h TRP 558 N 7.89 0.00 -0.86 4.03 5.08 -1.86 -1.54 115.95 128.69 1z8s h TRP 558 Ca -0.18 0.00 0.23 0.00 1.08 0.00 0.00 58.89 60.02 1z8s h TRP 558 Cb 1.06 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 27.17 1z8s h TRP 558 CO 0.54 0.00 0.60 -0.07 -1.28 0.00 0.00 178.44 178.23 1z8s h LEU 559 N 0.00 0.17 -1.08 0.11 3.38 -1.97 1.13 115.31 117.06 1z8s h LEU 559 Ca 0.16 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1z8s h LEU 559 Cb 0.69 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1z8s h LEU 559 CO -0.00 0.07 -0.06 -0.03 0.09 0.00 0.00 178.44 178.51 1z8s h MET 560 N 0.17 0.59 -0.15 1.13 4.05 -1.59 -1.34 114.93 117.79 1z8s h MET 560 Ca 0.43 -0.15 -0.10 0.00 -0.28 0.00 0.00 59.70 59.60 1z8s h MET 560 Cb 1.41 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 32.13 1z8s h MET 560 CO -0.08 0.65 -0.33 1.25 0.23 0.00 0.00 176.91 178.63 1z8s h LEU 561 N 0.55 0.30 -0.70 3.39 7.12 0.11 -2.34 115.31 123.74 1z8s h LEU 561 Ca 0.11 -0.11 0.03 0.00 0.13 0.00 0.00 57.88 58.03 1z8s h LEU 561 Cb 0.44 -0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 40.45 1z8s h LEU 561 CO 0.02 0.62 0.45 0.50 -0.13 0.00 0.00 178.44 179.90 1z8s h LYS 562 N 0.25 0.86 -0.97 1.25 3.11 -0.07 0.72 116.57 121.72 1z8s h LYS 562 Ca 0.03 -0.05 0.03 0.00 -2.81 0.00 0.00 60.65 57.85 1z8s h LYS 562 Cb 0.72 -0.19 -0.06 0.00 -1.00 0.00 0.00 32.23 31.70 1z8s h LYS 562 CO 0.05 0.57 0.64 0.28 -2.81 0.00 0.00 179.45 178.18 1z8s h VAL 563 N 0.88 1.18 -0.04 2.00 2.07 -1.03 0.24 116.25 121.55 1z8s h VAL 563 Ca 0.28 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1z8s h VAL 563 Cb -0.01 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.58 1z8s h VAL 563 CO -0.10 0.23 -0.31 0.50 0.02 0.00 0.00 177.57 177.91 1z8s h LYS 564 N 1.24 0.08 -0.72 1.57 1.63 -0.43 -2.10 116.57 117.83 1z8s h LYS 564 Ca 0.38 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 60.18 1z8s h LYS 564 Cb -0.02 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.56 1z8s h LYS 564 CO -0.12 0.38 0.48 1.49 -3.45 0.00 0.00 179.45 178.23 1z8s h GLU 565 N 0.07 0.89 0.07 1.90 4.81 0.38 0.93 114.58 123.62 1z8s h GLU 565 Ca 0.01 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1z8s h GLU 565 Cb 0.59 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1z8s h GLU 565 CO 0.04 0.59 -0.03 1.96 -0.73 0.00 0.00 179.01 180.84 1z8s h GLN 566 N 0.91 -0.09 -0.38 1.92 4.20 -0.80 -0.78 115.11 120.09 1z8s h GLN 566 Ca 0.28 0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.92 1z8s h GLN 566 Cb -0.01 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1z8s h GLN 566 CO -0.07 0.46 -0.07 0.93 -0.67 0.00 0.00 178.83 179.41 1z8s h GLU 567 N -0.73 0.71 -0.78 1.46 4.39 -1.29 -2.52 114.58 115.82 1z8s h GLU 567 Ca -0.01 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.42 1z8s h GLU 567 Cb 0.59 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 1z8s h GLU 567 CO 0.02 0.85 0.47 1.57 -1.16 0.00 0.00 179.01 180.75 1z8s h LYS 568 N 0.52 1.06 -0.61 2.33 5.09 0.80 -1.08 116.57 124.69 1z8s h LYS 568 Ca 0.10 -0.10 -0.00 0.00 0.09 0.00 0.00 60.65 60.74 1z8s h LYS 568 Cb 0.57 -0.22 -0.03 0.00 0.10 0.00 0.00 32.23 32.65 1z8s h LYS 568 CO 0.03 0.75 0.36 0.00 -2.09 0.00 0.00 179.45 178.51 1z8s h THR 569 N 1.07 1.17 -0.22 0.07 1.03 -1.01 0.60 112.91 115.63 1z8s h THR 569 Ca 0.28 -0.39 0.03 0.00 -0.01 0.00 0.00 66.41 66.32 1z8s h THR 569 Cb -0.04 0.32 -0.01 0.00 -1.07 0.00 0.00 68.15 67.35 1z8s h THR 569 CO -0.05 0.18 0.15 -0.08 -0.01 0.00 0.00 175.52 175.71 1z8s h GLU 570 N 0.84 0.19 -0.02 0.00 4.81 -0.78 0.40 114.58 120.02 1z8s h GLU 570 Ca 0.22 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.30 1z8s h GLU 570 Cb -0.03 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1z8s h GLU 570 CO -0.04 0.12 -0.64 0.00 -0.73 0.00 0.00 179.01 177.72 1z8s h ALA 571 N 1.87 0.90 -0.28 2.92 0.00 0.83 0.81 119.26 126.31 1z8s h ALA 571 Ca 0.09 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1z8s h ALA 571 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1z8s h ALA 571 CO -0.02 0.79 0.17 1.49 0.00 0.00 0.00 179.25 181.69 1z8s h GLU 572 N 0.05 0.38 0.03 0.00 4.81 0.16 1.67 114.58 121.68 1z8s h GLU 572 Ca -0.01 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 1z8s h GLU 572 Cb 1.15 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 30.46 1z8s h GLU 572 CO 0.09 0.28 -0.57 0.07 -0.73 0.00 0.00 179.01 178.15 1z8s h ARG 573 N 0.36 0.33 0.00 1.92 0.11 -1.35 -3.41 114.38 112.35 1z8s h ARG 573 Ca 0.10 -0.40 -0.07 0.00 0.10 0.00 0.00 59.98 59.71 1z8s h ARG 573 Cb -0.00 0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 1z8s h ARG 573 CO -0.02 1.10 -1.34 0.54 0.10 0.00 0.00 179.97 180.35 1z8s n ARG 574 N -4.26 2.31 -0.55 0.08 1.74 0.26 -5.12 116.66 111.12 1z8s n ARG 574 Ca -0.11 -0.02 0.07 0.00 -0.77 0.00 0.00 57.85 57.02 1z8s n ARG 574 Cb 0.67 -1.14 -0.03 0.00 -1.02 0.00 0.00 32.46 30.95 1z8s n ARG 574 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1z8s n LYS 575 N -2.06 -1.19 -0.10 5.56 4.01 0.57 -4.84 118.16 120.10 1z8s n LYS 575 Ca -0.07 0.89 -0.19 0.00 -0.51 0.00 0.00 58.31 58.43 1z8s n LYS 575 Cb 0.53 -1.42 -0.08 0.00 -0.51 0.00 0.00 35.03 33.55 1z8s n LYS 575 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1z8s n ASP 576 N -3.15 1.88 0.00 4.39 2.03 -1.26 -4.71 116.55 115.73 1z8s n ASP 576 Ca -0.01 0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.74 1z8s n ASP 576 Cb 0.26 -0.89 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 1z8s n ASP 576 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1z8s n PHE 577 N -4.43 0.00 0.00 -0.67 3.01 -1.26 -5.03 117.46 109.08 1z8s n PHE 577 Ca -0.31 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.15 1z8s n PHE 577 Cb 0.63 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.10 1z8s n PHE 577 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1z8s n LEU 578 N -1.32 0.94 -4.24 4.37 7.99 -1.26 -5.08 117.00 118.40 1z8s n LEU 578 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.80 1z8s n LEU 578 Cb 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.19 1z8s n LEU 578 CO 0.00 0.16 -0.48 -0.89 -1.51 0.00 0.00 177.39 174.67 1z8s s THR 579 N -2.00 1.41 -0.96 -5.08 2.01 -1.26 -4.94 115.64 104.82 1z8s s THR 579 Ca 0.00 -1.51 0.06 0.00 0.31 0.00 0.00 61.69 60.55 1z8s s THR 579 Cb 0.00 -1.38 0.05 0.00 0.01 0.00 0.00 72.50 71.18 1z8s s THR 579 CO 0.00 -0.21 1.18 0.00 -0.69 0.00 0.00 174.62 174.90 1z8s n ALA 580 N 1.00 1.21 -0.17 7.40 0.00 -1.26 -2.91 120.51 125.78 1z8s n ALA 580 Ca -0.19 -0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.53 1z8s n ALA 580 Cb 0.55 -1.09 0.73 0.00 0.00 0.00 0.00 19.45 19.63 1z8s n ALA 580 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1z8s h ALA 581 N 2.15 2.83 0.29 0.00 0.00 -1.95 0.50 119.26 123.09 1z8s h ALA 581 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1z8s h ALA 581 Cb 0.08 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1z8s h ALA 581 CO 0.00 -1.11 -0.14 0.00 0.00 0.00 0.00 179.25 177.99 1z8s h ARG 582 N 0.00 -0.38 -0.34 0.00 -0.00 -1.97 0.19 114.38 111.88 1z8s h ARG 582 Ca 0.42 0.03 -0.10 0.00 -0.50 0.00 0.00 59.98 59.83 1z8s h ARG 582 Cb 1.73 0.09 -0.02 0.00 0.00 0.00 0.00 29.97 31.77 1z8s h ARG 582 CO -0.00 -0.06 -0.20 0.97 0.00 0.00 0.00 179.97 180.68 1z8s h ILE 583 N -0.75 1.26 -0.62 2.04 2.10 -1.50 -2.48 117.51 117.56 1z8s h ILE 583 Ca -0.04 -1.24 0.04 0.00 1.08 0.00 0.00 64.86 64.70 1z8s h ILE 583 Cb 0.50 1.22 -0.05 0.00 -1.09 0.00 0.00 36.82 37.40 1z8s h ILE 583 CO 0.07 0.41 0.36 0.00 -1.08 0.00 0.00 178.15 177.91 1z8s h ALA 584 N 1.22 0.82 -0.68 0.18 0.00 0.00 0.22 119.26 121.02 1z8s h ALA 584 Ca 0.09 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1z8s h ALA 584 Cb 0.65 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1z8s h ALA 584 CO 0.05 0.07 0.45 0.87 0.00 0.00 0.00 179.25 180.69 1z8s h LYS 585 N 0.70 0.67 -0.62 0.00 1.57 -0.56 0.15 116.57 118.48 1z8s h LYS 585 Ca 0.26 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1z8s h LYS 585 Cb 0.09 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1z8s h LYS 585 CO -0.14 0.44 0.41 1.49 -0.57 0.00 0.00 179.45 181.08 1z8s h GLU 586 N 0.69 0.77 0.60 3.15 4.57 -0.16 0.27 114.58 124.48 1z8s h GLU 586 Ca 0.30 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.40 1z8s h GLU 586 Cb 0.28 -0.17 0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1z8s h GLU 586 CO -0.09 0.51 -0.29 0.52 -1.18 0.00 0.00 179.01 178.48 1z8s h MET 587 N 0.80 -0.78 -0.67 1.92 2.86 -0.00 0.90 114.93 119.95 1z8s h MET 587 Ca 0.23 0.05 0.19 0.00 -2.06 0.00 0.00 59.70 58.12 1z8s h MET 587 Cb -0.03 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1z8s h MET 587 CO -0.06 -0.47 0.49 0.97 1.06 0.00 0.00 176.91 178.90 1z8s h ILE 588 N -1.10 0.64 -0.20 -1.22 -0.00 -1.28 1.17 117.51 115.52 1z8s h ILE 588 Ca -0.08 0.00 -0.20 0.00 -0.00 0.00 0.00 64.86 64.57 1z8s h ILE 588 Cb 0.67 0.66 0.01 0.00 -0.00 0.00 0.00 36.82 38.16 1z8s h ILE 588 CO 0.14 0.00 -0.67 -0.33 -0.00 0.00 0.00 178.15 177.29 1z8s h GLU 589 N 0.00 0.80 -0.03 2.19 5.08 -0.46 -2.38 114.58 119.79 1z8s h GLU 589 Ca 0.32 -0.60 -0.10 0.00 -1.00 0.00 0.00 59.36 57.98 1z8s h GLU 589 Cb 1.29 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 1z8s h GLU 589 CO -0.00 1.22 -0.47 0.52 -1.00 0.00 0.00 179.01 179.28 1z8s h MET 590 N 0.55 0.06 -0.15 2.33 2.86 0.84 -2.51 114.93 118.91 1z8s h MET 590 Ca -0.03 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.44 1z8s h MET 590 Cb 1.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.94 1z8s h MET 590 CO 0.14 0.52 -0.51 -0.22 1.06 0.00 0.00 176.91 177.90 1z8s h LYS 591 N 0.05 0.41 -0.18 1.72 3.64 0.10 -2.63 116.57 119.68 1z8s h LYS 591 Ca 0.00 -0.24 -0.09 0.00 -1.27 0.00 0.00 60.65 59.05 1z8s h LYS 591 Cb 0.85 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1z8s h LYS 591 CO 0.06 0.82 -0.22 0.87 -2.27 0.00 0.00 179.45 178.72 1z8s h LYS 592 N 0.32 0.48 0.08 1.90 1.79 -1.16 0.17 116.57 120.15 1z8s h LYS 592 Ca 0.01 -0.27 -0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1z8s h LYS 592 Cb 1.01 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1z8s h LYS 592 CO 0.09 0.85 -0.04 0.00 -1.08 0.00 0.00 179.45 179.27 1z8s h MET 593 N 0.13 -0.11 0.00 3.15 -0.00 -1.45 -2.93 114.93 113.72 1z8s h MET 593 Ca 0.02 0.01 -0.12 0.00 -0.00 0.00 0.00 59.70 59.61 1z8s h MET 593 Cb 0.78 0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.39 1z8s h MET 593 CO 0.05 0.01 -0.56 1.37 -0.00 0.00 0.00 176.91 177.78 1z8s h LEU 594 N -0.20 0.00 -8.21 -0.10 8.10 -1.55 -3.40 115.31 109.95 1z8s h LEU 594 Ca -0.01 0.00 -0.73 0.00 0.11 0.00 0.00 57.88 57.25 1z8s h LEU 594 Cb 0.17 0.00 -0.25 0.00 -0.44 0.00 0.00 40.66 40.13 1z8s h LEU 594 CO 0.02 0.56 -0.41 -0.55 -4.11 0.00 0.00 178.44 173.95 1z8s s SER 595 N -6.80 5.86 0.25 0.17 0.15 0.05 -4.63 113.70 108.75 1z8s s SER 595 Ca -0.01 -1.40 -0.31 0.00 0.70 0.00 0.00 55.95 54.93 1z8s s SER 595 Cb 0.13 -2.07 -0.14 0.00 -1.71 0.00 0.00 66.02 62.23 1z8s s SER 595 CO 0.75 -0.58 1.31 -0.24 1.20 0.00 0.00 173.24 175.68 1z8s n SER 596 N 5.04 2.36 0.00 5.45 2.88 -1.26 -4.52 113.62 123.58 1z8s n SER 596 Ca -0.11 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 1z8s n SER 596 Cb 0.43 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 1z8s n SER 596 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61