#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z8s n ALA 453 N 0.00 1.55 -3.69 3.04 0.00 -1.26 -5.01 120.51 115.15 1z8s n ALA 453 Ca 0.00 -1.03 -0.26 0.00 0.00 0.00 0.00 53.44 52.15 1z8s n ALA 453 Cb 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 19.45 19.45 1z8s n ALA 453 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1z8s n LYS 454 N -2.88 -6.95 -1.68 0.00 5.02 -1.26 -4.87 118.16 105.55 1z8s n LYS 454 Ca -0.33 0.75 -0.45 0.00 -2.02 0.00 0.00 58.31 56.26 1z8s n LYS 454 Cb 0.98 -5.74 -0.04 0.00 -0.02 0.00 0.00 35.03 30.22 1z8s n LYS 454 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1z8s n LYS 455 N -4.85 2.53 -3.08 1.97 4.76 -1.26 -4.93 118.16 113.30 1z8s n LYS 455 Ca 0.02 0.92 -0.14 0.00 -2.87 0.00 0.00 58.31 56.24 1z8s n LYS 455 Cb 0.55 -2.80 -0.04 0.00 -1.84 0.00 0.00 35.03 30.90 1z8s n LYS 455 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1z8s s LEU 456 N 3.18 -0.24 0.21 -0.35 2.96 -1.26 -4.99 118.68 118.18 1z8s s LEU 456 Ca 0.86 -2.17 0.00 0.00 -0.22 0.00 0.00 54.13 52.60 1z8s s LEU 456 Cb -0.57 0.89 0.00 0.00 0.50 0.00 0.00 46.19 47.01 1z8s s LEU 456 CO 0.43 -0.12 0.00 0.18 -1.32 0.00 0.00 176.35 175.51 1z8s n LEU 457 N 3.12 -1.59 -4.28 -0.68 4.77 -1.26 -5.14 117.00 111.94 1z8s n LEU 457 Ca 0.21 0.39 -0.36 0.00 -0.03 0.00 0.00 56.01 56.22 1z8s n LEU 457 Cb 0.52 1.70 0.06 0.00 -2.33 0.00 0.00 43.42 43.37 1z8s n LEU 457 CO 0.03 -0.24 -0.50 -0.81 -1.33 0.00 0.00 177.39 174.55 1z8s n PRO 458 N -2.96 0.04 0.00 3.23 -0.04 -1.26 -5.01 135.00 129.00 1z8s n PRO 458 Ca 0.00 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1z8s n PRO 458 Cb 0.00 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 1z8s n PRO 458 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1z8s n ALA 459 N -2.53 0.62 0.00 0.55 0.00 -1.26 -4.94 120.51 112.96 1z8s n ALA 459 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1z8s n ALA 459 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1z8s n ALA 459 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1z8s n PHE 460 N -0.88 0.00 0.27 0.00 -0.00 -1.26 -4.66 117.46 110.93 1z8s n PHE 460 Ca 0.00 -0.17 0.17 0.00 -0.00 0.00 0.00 57.45 57.45 1z8s n PHE 460 Cb 0.00 -0.02 0.89 0.00 -0.00 0.00 0.00 39.48 40.35 1z8s n PHE 460 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.76 177.13 1z8s h GLN 461 N 0.04 0.00 -0.07 -4.13 4.15 -1.98 -2.33 115.11 110.79 1z8s h GLN 461 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1z8s h GLN 461 Cb 0.18 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 1z8s h GLN 461 CO 0.00 0.00 -0.04 -0.97 -1.93 0.00 0.00 178.83 175.89 1z8s h ASN 462 N 0.00 0.15 0.04 -0.69 -1.24 -1.97 0.47 115.58 112.34 1z8s h ASN 462 Ca 0.00 -0.44 -0.13 0.00 0.71 0.00 0.00 56.30 56.44 1z8s h ASN 462 Cb 0.14 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 1z8s h ASN 462 CO 0.00 0.56 -0.42 0.00 -1.29 0.00 0.00 177.43 176.28 1z8s h ALA 463 N 0.60 0.90 -0.01 1.57 0.00 -1.79 -2.75 119.26 117.78 1z8s h ALA 463 Ca 0.01 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1z8s h ALA 463 Cb 0.50 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1z8s h ALA 463 CO 0.01 0.64 -0.01 1.49 0.00 0.00 0.00 179.25 181.38 1z8s h GLU 464 N 0.39 0.02 -0.06 0.00 4.22 -1.45 -2.32 114.58 115.39 1z8s h GLU 464 Ca 0.03 -0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.50 1z8s h GLU 464 Cb 0.90 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 1z8s h GLU 464 CO 0.08 0.46 -0.28 0.00 -2.18 0.00 0.00 179.01 177.09 1z8s h ARG 465 N -0.42 -0.37 -0.47 1.92 3.08 -0.01 -1.29 114.38 116.82 1z8s h ARG 465 Ca 0.00 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1z8s h ARG 465 Cb 0.45 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1z8s h ARG 465 CO 0.00 -0.25 0.22 -0.07 -1.07 0.00 0.00 179.97 178.80 1z8s h LEU 466 N -0.39 0.62 -0.44 3.04 3.38 -1.57 -2.57 115.31 117.38 1z8s h LEU 466 Ca 0.08 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.00 1z8s h LEU 466 Cb 0.50 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 1z8s h LEU 466 CO -0.28 0.59 -0.19 0.25 0.09 0.00 0.00 178.44 178.90 1z8s h LEU 467 N 0.61 -0.66 -0.97 1.67 6.46 -1.01 0.49 115.31 121.90 1z8s h LEU 467 Ca 0.16 0.16 0.21 0.00 -0.12 0.00 0.00 57.88 58.29 1z8s h LEU 467 Cb 0.14 0.37 -0.12 0.00 -0.73 0.00 0.00 40.66 40.32 1z8s h LEU 467 CO -0.02 -0.22 0.55 -0.07 -0.62 0.00 0.00 178.44 178.05 1z8s h LEU 468 N -0.10 0.63 -0.67 2.25 3.38 -0.93 0.40 115.31 120.27 1z8s h LEU 468 Ca 0.21 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.38 1z8s h LEU 468 Cb 0.43 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 1z8s h LEU 468 CO -0.51 0.15 0.34 0.00 0.09 0.00 0.00 178.44 178.51 1z8s h ALA 469 N 1.68 0.90 0.10 1.53 0.00 0.34 0.30 119.26 124.10 1z8s h ALA 469 Ca 0.59 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.53 1z8s h ALA 469 Cb 1.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1z8s h ALA 469 CO -0.45 -0.02 -0.05 0.45 0.00 0.00 0.00 179.25 179.19 1z8s h HIS 470 N 0.61 -0.12 -0.38 0.00 3.86 0.20 -3.35 115.15 115.97 1z8s h HIS 470 Ca 0.31 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.57 1z8s h HIS 470 Cb 0.27 0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 1z8s h HIS 470 CO -0.10 0.14 0.26 0.00 0.86 0.00 0.00 177.93 179.09 1z8s h MET 471 N -1.01 0.29 0.00 2.45 -0.00 -0.41 -0.01 114.93 116.24 1z8s h MET 471 Ca -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 1z8s h MET 471 Cb 0.31 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 31.84 1z8s h MET 471 CO 0.02 0.19 0.00 0.00 -0.00 0.00 0.00 176.91 177.12 1z8s n MET 472 N -4.48 0.11 0.00 -0.10 3.85 0.10 -4.18 117.12 112.43 1z8s n MET 472 Ca 0.05 0.22 0.00 0.00 -1.00 0.00 0.00 57.70 56.97 1z8s n MET 472 Cb 0.24 -1.50 0.00 0.00 -1.05 0.00 0.00 33.22 30.91 1z8s n MET 472 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1z8s n ARG 473 N -1.35 0.00 -2.70 3.17 1.74 -0.08 -2.52 116.66 114.92 1z8s n ARG 473 Ca 0.04 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 1z8s n ARG 473 Cb 0.10 -0.04 -0.03 0.00 -1.02 0.00 0.00 32.46 31.47 1z8s n ARG 473 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1z8s s SER 474 N -3.35 7.35 0.58 0.55 0.01 -0.84 -4.18 113.70 113.82 1z8s s SER 474 Ca 0.00 1.65 0.35 0.00 1.31 0.00 0.00 55.95 59.26 1z8s s SER 474 Cb 0.00 -2.57 1.76 0.00 0.21 0.00 0.00 66.02 65.43 1z8s s SER 474 CO 0.00 -0.28 2.16 0.08 0.41 0.00 0.00 173.24 175.61 1z8s h ARG 475 N 6.83 0.00 0.06 12.44 0.11 -1.88 -0.64 114.38 131.29 1z8s h ARG 475 Ca -0.40 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.68 1z8s h ARG 475 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1z8s h ARG 475 CO 0.76 0.05 -0.03 -0.44 0.10 0.00 0.00 179.97 180.41 1z8s h ASP 476 N 0.00 -0.06 -0.40 0.08 5.19 -1.94 -2.11 116.42 117.18 1z8s h ASP 476 Ca -0.00 -0.44 -0.07 0.00 -0.62 0.00 0.00 57.03 55.90 1z8s h ASP 476 Cb 0.26 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 1z8s h ASP 476 CO 0.01 0.43 0.01 1.62 -3.12 0.00 0.00 179.24 178.19 1z8s h VAL 477 N -0.58 1.24 -0.76 -1.35 3.04 -1.81 -1.24 116.25 114.79 1z8s h VAL 477 Ca -0.01 -0.97 0.15 0.00 -1.01 0.00 0.00 66.70 64.87 1z8s h VAL 477 Cb 0.50 0.86 -0.05 0.00 -2.01 0.00 0.00 31.29 30.59 1z8s h VAL 477 CO 0.01 0.34 0.51 0.00 -1.01 0.00 0.00 177.57 177.42 1z8s h ALA 478 N 1.28 2.13 -0.21 3.17 0.00 -1.02 0.57 119.26 125.18 1z8s h ALA 478 Ca 0.15 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1z8s h ALA 478 Cb 0.43 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1z8s h ALA 478 CO 0.02 -0.33 -0.49 1.37 0.00 0.00 0.00 179.25 179.81 1z8s h LEU 479 N 0.40 0.63 -0.84 0.00 8.10 -0.53 -2.48 115.31 120.59 1z8s h LEU 479 Ca 0.37 -0.31 0.03 0.00 0.11 0.00 0.00 57.88 58.08 1z8s h LEU 479 Cb 0.87 -0.18 -0.05 0.00 -0.44 0.00 0.00 40.66 40.86 1z8s h LEU 479 CO -0.12 1.01 0.54 0.58 -4.11 0.00 0.00 178.44 176.35 1z8s h VAL 480 N 0.45 1.13 -0.01 0.15 2.07 0.55 0.69 116.25 121.28 1z8s h VAL 480 Ca 0.02 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1z8s h VAL 480 Cb 1.02 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1z8s h VAL 480 CO 0.09 0.19 -0.01 1.62 0.02 0.00 0.00 177.57 179.49 1z8s h VAL 481 N 1.05 1.40 -0.60 2.57 3.04 -1.25 -0.31 116.25 122.16 1z8s h VAL 481 Ca 0.34 -1.19 -0.09 0.00 -1.01 0.00 0.00 66.70 64.75 1z8s h VAL 481 Cb 0.02 2.19 -0.02 0.00 -2.01 0.00 0.00 31.29 31.46 1z8s h VAL 481 CO -0.12 0.31 0.02 -0.61 -1.01 0.00 0.00 177.57 176.16 1z8s h GLN 482 N -0.48 1.04 0.08 4.17 4.15 -1.18 -1.33 115.11 121.57 1z8s h GLN 482 Ca 0.00 -0.32 -0.13 0.00 0.77 0.00 0.00 58.65 58.97 1z8s h GLN 482 Cb 0.51 -0.10 0.01 0.00 0.21 0.00 0.00 27.48 28.12 1z8s h GLN 482 CO 0.00 1.01 -0.55 0.93 -1.93 0.00 0.00 178.83 178.29 1z8s h GLU 483 N 0.94 0.23 0.00 1.69 3.07 0.32 -3.42 114.58 117.40 1z8s h GLU 483 Ca 0.17 -0.36 -0.26 0.00 -0.50 0.00 0.00 59.36 58.41 1z8s h GLU 483 Cb 0.53 0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.53 1z8s h GLU 483 CO 0.03 1.15 -1.59 0.54 -1.40 0.00 0.00 179.01 177.73 1z8s n ARG 484 N -4.28 0.56 -0.78 2.33 1.74 -0.14 -4.99 116.66 111.09 1z8s n ARG 484 Ca -0.12 0.43 -0.33 0.00 -0.77 0.00 0.00 57.85 57.05 1z8s n ARG 484 Cb 0.70 -1.62 0.13 0.00 -1.02 0.00 0.00 32.46 30.64 1z8s n ARG 484 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1z8s n ILE 485 N -4.39 0.00 0.00 0.55 3.06 -0.50 -4.84 119.36 113.23 1z8s n ILE 485 Ca -0.35 -0.24 0.00 0.00 -2.50 0.00 0.00 62.75 59.65 1z8s n ILE 485 Cb 0.69 -0.54 0.00 0.00 0.54 0.00 0.00 39.64 40.33 1z8s n ILE 485 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1z8s n GLY 486 N 1.91 0.00 0.00 4.50 0.00 -1.26 -4.82 105.19 105.51 1z8s n GLY 486 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 1.81 0.00 -0.02 0.00 -1.26 -4.97 105.19 100.75 1z8s n GLY 487 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1z8s n GLY 487 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1z8s n ARG 488 N 0.00 2.55 -4.09 1.61 3.00 -1.26 -5.13 116.66 113.34 1z8s n ARG 488 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.53 1z8s n ARG 488 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.39 1z8s n ARG 488 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 1z8s s PHE 489 N -0.31 3.26 0.00 -0.14 5.36 -1.26 -5.05 117.98 119.85 1z8s s PHE 489 Ca 0.00 0.17 0.00 0.00 -0.96 0.00 0.00 56.93 56.14 1z8s s PHE 489 Cb 0.00 -1.71 0.00 0.00 -0.34 0.00 0.00 43.02 40.97 1z8s s PHE 489 CO 0.00 0.54 0.00 0.09 -1.46 0.00 0.00 175.22 174.39 1z8s n ASN 490 N 0.96 0.00 -4.23 6.13 4.13 -1.26 -5.14 115.26 115.85 1z8s n ASN 490 Ca -0.12 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.02 1z8s n ASN 490 Cb 0.52 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.66 1z8s n ASN 490 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1z8s s ILE 491 N -0.01 0.59 0.14 2.41 2.07 -1.26 -5.06 121.20 120.09 1z8s s ILE 491 Ca 0.00 -1.97 -0.18 0.00 -1.41 0.00 0.00 60.65 57.09 1z8s s ILE 491 Cb 0.00 -2.11 -0.01 0.00 0.13 0.00 0.00 42.46 40.47 1z8s s ILE 491 CO 0.00 -0.47 1.75 -0.33 -1.91 0.00 0.00 174.94 173.97 1z8s h GLU 492 N 2.72 0.20 0.17 3.50 4.39 -2.01 -2.53 114.58 121.03 1z8s h GLU 492 Ca -0.36 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.31 1z8s h GLU 492 Cb 1.20 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1z8s h GLU 492 CO 0.62 0.14 -0.08 1.05 -1.16 0.00 0.00 179.01 179.58 1z8s h GLU 493 N 0.21 -0.22 -0.45 2.33 9.09 -1.97 -1.74 114.58 121.82 1z8s h GLU 493 Ca 0.12 0.01 0.07 0.00 0.05 0.00 0.00 59.36 59.61 1z8s h GLU 493 Cb 0.10 0.05 -0.09 0.00 -1.65 0.00 0.00 28.75 27.16 1z8s h GLU 493 CO -0.13 0.17 -0.48 0.45 0.05 0.00 0.00 179.01 179.06 1z8s h HIS 494 N -0.69 -1.45 -0.54 2.06 3.86 -1.98 0.94 115.15 117.36 1z8s h HIS 494 Ca -0.02 0.08 0.10 0.00 -1.16 0.00 0.00 60.37 59.37 1z8s h HIS 494 Cb 0.49 0.69 -0.03 0.00 1.06 0.00 0.00 27.41 29.63 1z8s h HIS 494 CO 0.06 -0.46 0.37 -0.09 0.86 0.00 0.00 177.93 178.67 1z8s h ARG 495 N -0.33 0.29 -0.01 2.45 1.12 -1.53 0.29 114.38 116.65 1z8s h ARG 495 Ca 0.12 -0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.97 1z8s h ARG 495 Cb 0.58 -0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 30.48 1z8s h ARG 495 CO -0.61 0.19 -0.00 0.00 -3.11 0.00 0.00 179.97 176.43 1z8s h ALA 496 N 1.73 1.97 0.13 2.80 0.00 0.18 0.64 119.26 126.71 1z8s h ALA 496 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1z8s h ALA 496 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1z8s h ALA 496 CO -0.06 0.02 -0.06 1.25 0.00 0.00 0.00 179.25 180.40 1z8s h LEU 497 N 0.02 -0.14 -1.41 0.00 6.46 0.87 1.28 115.31 122.38 1z8s h LEU 497 Ca 0.00 -0.40 0.16 0.00 -0.12 0.00 0.00 57.88 57.52 1z8s h LEU 497 Cb 0.02 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 39.92 1z8s h LEU 497 CO 0.00 0.45 0.56 0.00 -0.62 0.00 0.00 178.44 178.83 1z8s h ALA 498 N -0.29 1.99 -0.04 1.25 0.00 -1.17 0.65 119.26 121.65 1z8s h ALA 498 Ca -0.02 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1z8s h ALA 498 Cb 0.54 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1z8s h ALA 498 CO 0.03 -0.23 -0.72 0.00 0.00 0.00 0.00 179.25 178.33 1z8s h ALA 499 N 1.62 0.70 -0.10 0.00 0.00 0.40 -3.18 119.26 118.70 1z8s h ALA 499 Ca 0.43 -0.62 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1z8s h ALA 499 Cb 0.85 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1z8s h ALA 499 CO -0.18 0.80 -0.41 1.88 0.00 0.00 0.00 179.25 181.34 1z8s h TYR 500 N 0.17 -1.18 -0.62 0.00 0.05 0.77 -1.08 116.97 115.08 1z8s h TYR 500 Ca -0.02 0.05 0.05 0.00 0.05 0.00 0.00 58.73 58.86 1z8s h TYR 500 Cb 1.28 0.53 -0.05 0.00 1.01 0.00 0.00 36.73 39.50 1z8s h TYR 500 CO 0.03 -0.48 0.34 -0.84 -1.05 0.00 0.00 178.16 176.16 1z8s h ILE 501 N -0.50 0.97 -0.81 -2.88 -0.00 -1.56 0.24 117.51 112.96 1z8s h ILE 501 Ca 0.07 -0.22 0.14 0.00 -0.00 0.00 0.00 64.86 64.85 1z8s h ILE 501 Cb 0.63 0.28 -0.15 0.00 -0.00 0.00 0.00 36.82 37.58 1z8s h ILE 501 CO -0.38 0.12 -0.31 1.88 -0.00 0.00 0.00 178.15 179.46 1z8s h TYR 502 N 0.64 -0.81 -0.14 0.16 0.05 -1.19 0.83 116.97 116.50 1z8s h TYR 502 Ca 0.28 0.08 -0.17 0.00 0.05 0.00 0.00 58.73 58.97 1z8s h TYR 502 Cb 0.16 0.48 0.01 0.00 1.01 0.00 0.00 36.73 38.39 1z8s h TYR 502 CO -0.08 -0.38 -0.58 0.00 -1.05 0.00 0.00 178.16 176.06 1z8s h ALA 503 N 1.42 0.26 -0.77 3.88 0.00 -0.94 -3.07 119.26 120.04 1z8s h ALA 503 Ca 0.33 -0.53 0.13 0.00 0.00 0.00 0.00 54.91 54.84 1z8s h ALA 503 Cb 0.59 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1z8s h ALA 503 CO -0.85 0.50 0.51 0.74 0.00 0.00 0.00 179.25 180.15 1z8s h PHE 504 N 0.30 0.59 -0.30 0.00 -1.00 0.12 0.24 116.94 116.89 1z8s h PHE 504 Ca -0.03 0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.66 1z8s h PHE 504 Cb 1.21 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.57 1z8s h PHE 504 CO 0.10 0.24 -0.26 1.88 -1.61 0.00 0.00 178.31 178.67 1z8s h TYR 505 N 0.52 0.68 0.00 -0.55 -1.99 0.63 0.51 116.97 116.77 1z8s h TYR 505 Ca 0.37 -0.15 -0.03 0.00 2.00 0.00 0.00 58.73 60.92 1z8s h TYR 505 Cb 0.71 -0.16 -0.00 0.00 2.00 0.00 0.00 36.73 39.28 1z8s h TYR 505 CO -0.00 0.80 -0.15 1.49 -0.00 0.00 0.00 178.16 180.30 1z8s h GLU 506 N 0.52 0.00 0.00 4.88 4.22 -0.46 -2.02 114.58 121.73 1z8s h GLU 506 Ca 0.07 0.00 -0.24 0.00 0.08 0.00 0.00 59.36 59.27 1z8s h GLU 506 Cb 0.72 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1z8s h GLU 506 CO 0.06 0.15 -1.46 0.93 -2.18 0.00 0.00 179.01 176.51 1z8s h GLU 507 N 0.00 0.00 -4.48 1.92 5.08 -0.77 -3.50 114.58 112.83 1z8s h GLU 507 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1z8s h GLU 507 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1z8s h GLU 507 CO 0.02 0.53 -0.34 0.41 -1.00 0.00 0.00 179.01 178.62 1z8s n GLY 508 N 1.47 -1.25 1.30 -3.84 0.00 0.11 -5.02 105.19 97.95 1z8s n GLY 508 Ca -0.11 0.76 -0.04 0.00 0.00 0.00 0.00 46.02 46.63 1z8s n GLY 508 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1z8s n HIS 509 N -0.32 -0.45 -1.49 1.61 -0.00 -1.25 -5.07 115.22 108.25 1z8s n HIS 509 Ca 0.07 -0.61 0.01 0.00 -0.00 0.00 0.00 57.72 57.19 1z8s n HIS 509 Cb 0.28 0.68 -0.01 0.00 -0.00 0.00 0.00 29.99 30.95 1z8s n HIS 509 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1z8s n GLU 510 N -0.33 -3.87 -0.89 -1.40 2.13 -1.26 -4.26 120.64 110.76 1z8s n GLU 510 Ca -0.17 3.01 -0.32 0.00 0.66 0.00 0.00 57.16 60.34 1z8s n GLU 510 Cb 0.63 -3.80 -0.04 0.00 0.27 0.00 0.00 31.44 28.50 1z8s n GLU 510 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1z8s n ALA 511 N -2.66 3.65 -1.67 4.31 0.00 -1.26 -4.90 120.51 117.98 1z8s n ALA 511 Ca -0.01 -2.56 -0.44 0.00 0.00 0.00 0.00 53.44 50.43 1z8s n ALA 511 Cb 0.47 -3.31 -0.04 0.00 0.00 0.00 0.00 19.45 16.57 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 6.05 3.89 0.11 0.00 8.00 -1.26 -3.40 116.55 129.93 1z8s n ASP 512 Ca 0.44 0.93 -0.02 0.00 0.71 0.00 0.00 54.79 56.86 1z8s n ASP 512 Cb 0.27 -1.47 0.23 0.00 -0.02 0.00 0.00 41.12 40.13 1z8s n ASP 512 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1z8s h PRO 513 N 9.94 0.20 0.12 -0.24 0.11 -1.78 -1.38 132.00 138.97 1z8s h PRO 513 Ca -0.49 -0.10 0.01 0.00 0.11 0.00 0.00 66.00 65.53 1z8s h PRO 513 Cb 1.25 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 1z8s h PRO 513 CO 0.94 0.60 -0.20 0.78 -0.21 0.00 0.00 178.00 179.91 1z8s h GLY 514 N 1.26 -0.38 1.76 -0.55 0.00 -1.89 0.99 103.07 104.26 1z8s h GLY 514 Ca 0.01 0.24 -0.25 0.00 0.00 0.00 0.00 47.33 47.33 1z8s h GLY 514 CO 0.06 -0.19 -1.16 0.00 0.00 0.00 0.00 176.54 175.25 1z8s h ALA 515 N 0.40 0.27 0.15 3.60 0.00 -1.95 -3.25 119.26 118.49 1z8s h ALA 515 Ca 0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 54.91 53.98 1z8s h ALA 515 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1z8s h ALA 515 CO -0.10 1.15 -0.07 1.25 0.00 0.00 0.00 179.25 181.48 1z8s h LEU 516 N 0.03 -0.17 -2.03 0.00 6.46 -1.12 -3.31 115.31 115.18 1z8s h LEU 516 Ca -0.09 -0.18 0.12 0.00 -0.12 0.00 0.00 57.88 57.62 1z8s h LEU 516 Cb 1.88 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.83 1z8s h LEU 516 CO 0.16 0.37 0.32 0.40 -0.62 0.00 0.00 178.44 179.07 1z8s h ILE 517 N -1.01 0.71 -0.36 4.05 1.08 0.85 -0.85 117.51 121.98 1z8s h ILE 517 Ca -0.02 0.00 -0.23 0.00 -0.39 0.00 0.00 64.86 64.22 1z8s h ILE 517 Cb 0.34 0.77 -0.11 0.00 -3.07 0.00 0.00 36.82 34.75 1z8s h ILE 517 CO 0.03 0.00 0.29 -0.24 -0.69 0.00 0.00 178.15 177.55 1z8s n SER 518 N -4.29 5.16 0.00 1.72 2.88 -1.22 -3.61 113.62 114.26 1z8s n SER 518 Ca 0.07 -2.80 0.00 0.00 -1.33 0.00 0.00 58.87 54.81 1z8s n SER 518 Cb 0.51 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 1z8s n SER 518 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1z8s n ARG 519 N 0.36 0.24 -1.85 -1.46 1.74 -0.32 -5.00 116.66 110.36 1z8s n ARG 519 Ca 0.23 -0.56 -0.32 0.00 -0.77 0.00 0.00 57.85 56.43 1z8s n ARG 519 Cb 0.69 -0.79 0.02 0.00 -1.02 0.00 0.00 32.46 31.37 1z8s n ARG 519 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1z8s s ILE 520 N -0.20 4.15 -0.09 0.55 -1.09 -1.24 -5.02 121.20 118.25 1z8s s ILE 520 Ca 0.00 0.82 -0.08 0.00 -2.23 0.00 0.00 60.65 59.16 1z8s s ILE 520 Cb 0.00 -3.51 -0.28 0.00 -1.58 0.00 0.00 42.46 37.09 1z8s s ILE 520 CO 0.00 -0.79 0.47 1.55 -1.23 0.00 0.00 174.94 174.95 1z8s h PRO 521 N -0.13 0.31 0.00 2.79 0.13 -1.95 -3.46 132.00 129.69 1z8s h PRO 521 Ca -0.45 -0.53 0.00 0.00 -0.87 0.00 0.00 66.00 64.15 1z8s h PRO 521 Cb 1.21 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1z8s h PRO 521 CO 0.58 1.25 0.00 0.41 -0.23 0.00 0.00 178.00 180.02 1z8s n GLY 522 N 1.95 0.03 0.13 1.56 0.00 -1.26 -4.97 105.19 102.62 1z8s n GLY 522 Ca -0.29 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 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 0.20 -0.00 1.61 4.81 -2.01 -3.35 114.58 115.84 1z8s h GLU 523 Ca 0.00 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1z8s h GLU 523 Cb 0.00 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1z8s h GLU 523 CO 0.00 1.16 -0.05 -0.11 -0.73 0.00 0.00 179.01 179.29 1z8s n LEU 524 N -3.79 0.40 0.22 1.64 7.94 -1.26 -2.49 117.00 119.65 1z8s n LEU 524 Ca -0.31 -0.02 -0.09 0.00 -1.11 0.00 0.00 56.01 54.47 1z8s n LEU 524 Cb 0.93 -0.12 -0.04 0.00 0.53 0.00 0.00 43.42 44.72 1z8s n LEU 524 CO 0.36 0.07 0.31 1.56 -1.11 0.00 0.00 177.39 178.58 1z8s h GLN 525 N 0.56 -0.58 -0.39 1.96 1.08 -1.89 0.89 115.11 116.74 1z8s h GLN 525 Ca 0.00 0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 1z8s h GLN 525 Cb 0.26 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 1z8s h GLN 525 CO 0.00 -0.39 -0.01 -1.35 -0.95 0.00 0.00 178.83 176.14 1z8s h PRO 526 N -0.91 0.62 0.48 1.46 0.11 -1.71 -1.69 132.00 130.35 1z8s h PRO 526 Ca -0.06 -0.15 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 1z8s h PRO 526 Cb 0.46 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1z8s h PRO 526 CO 0.10 0.64 -0.23 1.25 -0.21 0.00 0.00 178.00 179.56 1z8s h LEU 527 N 0.59 -0.54 -0.36 2.35 5.85 -1.50 -2.44 115.31 119.25 1z8s h LEU 527 Ca 0.12 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1z8s h LEU 527 Cb 0.38 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1z8s h LEU 527 CO 0.01 -0.22 0.14 0.00 -0.34 0.00 0.00 178.44 178.04 1z8s h ALA 528 N -0.51 0.43 -0.47 1.25 0.00 0.89 0.84 119.26 121.68 1z8s h ALA 528 Ca -0.07 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1z8s h ALA 528 Cb 0.58 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1z8s h ALA 528 CO 0.11 -0.24 0.13 0.77 0.00 0.00 0.00 179.25 180.01 1z8s h SER 529 N 0.30 0.09 0.64 0.00 0.02 -1.35 0.31 113.55 113.56 1z8s h SER 529 Ca 0.16 0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 61.06 1z8s h SER 529 Cb 0.12 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1z8s h SER 529 CO -0.15 0.08 -0.59 -0.33 -1.14 0.00 0.00 176.83 174.70 1z8s h GLU 530 N 0.28 0.00 0.00 3.45 4.39 -1.02 -2.83 114.58 118.86 1z8s h GLU 530 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1z8s h GLU 530 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1z8s h GLU 530 CO -0.26 0.59 0.00 -0.07 -1.16 0.00 0.00 179.01 178.11 1z8s h LEU 531 N 0.00 0.00 -1.22 1.33 4.07 0.27 -3.28 115.31 116.48 1z8s h LEU 531 Ca -0.01 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.09 1z8s h LEU 531 Cb 1.07 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 1z8s h LEU 531 CO 0.08 0.00 0.82 -1.28 -1.08 0.00 0.00 178.44 176.98 1z8s h SER 532 N 0.00 0.00 -0.26 -0.43 0.87 -0.22 -1.58 113.55 111.92 1z8s h SER 532 Ca 0.00 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.32 1z8s h SER 532 Cb 0.52 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 62.25 1z8s h SER 532 CO 0.00 0.00 -0.61 -0.11 -0.53 0.00 0.00 176.83 175.58 1z8s n LEU 533 N -3.13 -0.64 -0.30 2.23 -0.00 -1.24 -4.84 117.00 109.08 1z8s n LEU 533 Ca 0.10 -3.38 0.12 0.00 -0.00 0.00 0.00 56.01 52.84 1z8s n LEU 533 Cb 0.98 0.18 0.35 0.00 -0.00 0.00 0.00 43.42 44.94 1z8s n LEU 533 CO 0.17 1.66 1.22 -0.07 -0.00 0.00 0.00 177.39 180.38 1z8s h LEU 534 N 2.01 0.71 -4.76 -1.96 3.38 -1.38 -3.37 115.31 109.93 1z8s h LEU 534 Ca -0.27 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 1z8s h LEU 534 Cb 1.27 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.86 1z8s h LEU 534 CO 0.05 0.34 0.21 0.00 0.09 0.00 0.00 178.44 179.13 1z8s n LEU 535 N -4.59 -0.94 0.00 1.67 -0.00 -1.26 -5.08 117.00 106.80 1z8s n LEU 535 Ca 0.19 -1.57 0.00 0.00 -0.00 0.00 0.00 56.01 54.62 1z8s n LEU 535 Cb 0.48 0.93 0.00 0.00 -0.00 0.00 0.00 43.42 44.83 1z8s n LEU 535 CO 0.28 1.06 0.00 2.30 -0.00 0.00 0.00 177.39 181.03 1z8s n ILE 536 N -0.46 0.00 -3.27 1.47 -5.35 -1.26 -4.48 119.36 106.01 1z8s n ILE 536 Ca -0.26 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.20 1z8s n ILE 536 Cb 0.61 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.27 1z8s n ILE 536 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1z8s n ALA 537 N -3.00 -0.27 0.30 -1.28 0.00 -1.26 -4.79 120.51 110.21 1z8s n ALA 537 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 53.44 53.22 1z8s n ALA 537 Cb 0.00 0.20 0.17 0.00 0.00 0.00 0.00 19.45 19.83 1z8s n ALA 537 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1z8s n ASP 538 N -1.33 0.00 -0.51 0.00 5.68 -1.26 -2.73 116.55 116.40 1z8s n ASP 538 Ca -0.01 0.41 0.00 0.00 -0.50 0.00 0.00 54.79 54.68 1z8s n ASP 538 Cb 0.11 -0.44 -0.00 0.00 -1.14 0.00 0.00 41.12 39.65 1z8s n ASP 538 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1z8s n ASP 539 N -1.44 0.01 -0.99 -1.12 8.00 -1.26 -4.98 116.55 114.77 1z8s n ASP 539 Ca 0.02 -1.69 0.00 0.00 0.71 0.00 0.00 54.79 53.84 1z8s n ASP 539 Cb 0.08 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1z8s n ASP 539 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1z8s n VAL 540 N 0.00 -2.83 -2.40 2.53 0.31 -1.11 -4.54 118.33 110.30 1z8s n VAL 540 Ca -0.00 1.23 -0.40 0.00 -0.01 0.00 0.00 64.34 65.17 1z8s n VAL 540 Cb 0.64 -1.82 -0.01 0.00 -0.91 0.00 0.00 33.84 31.74 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 -1.53 4.44 0.04 4.52 2.88 -1.26 -4.72 113.62 117.99 1z8s n SER 541 Ca 0.00 -2.86 0.21 0.00 -1.33 0.00 0.00 58.87 54.89 1z8s n SER 541 Cb 0.14 -1.73 0.65 0.00 -0.75 0.00 0.00 64.21 62.51 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 7.97 0.00 0.03 -1.46 4.81 -1.97 1.26 114.58 125.22 1z8s h GLU 542 Ca 0.40 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1z8s h GLU 542 Cb 0.87 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1z8s h GLU 542 CO 1.44 0.00 -0.01 0.37 -0.73 0.00 0.00 179.01 180.07 1z8s h GLN 543 N 0.00 -0.03 -0.07 1.92 4.15 -1.99 -2.55 115.11 116.53 1z8s h GLN 543 Ca 0.25 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.50 1z8s h GLN 543 Cb 1.57 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.26 1z8s h GLN 543 CO -0.00 0.55 -0.71 0.93 -1.93 0.00 0.00 178.83 177.67 1z8s h GLU 544 N -0.65 0.36 -0.11 1.69 5.08 -1.42 -2.52 114.58 117.01 1z8s h GLU 544 Ca -0.00 -0.29 0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1z8s h GLU 544 Cb 0.60 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1z8s h GLU 544 CO 0.01 0.93 -0.15 1.25 -1.00 0.00 0.00 179.01 180.04 1z8s h LEU 545 N 0.25 -0.46 -0.95 1.33 5.85 0.15 0.20 115.31 121.67 1z8s h LEU 545 Ca -0.02 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1z8s h LEU 545 Cb 1.27 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 1z8s h LEU 545 CO 0.12 -0.20 -0.28 -0.33 -0.34 0.00 0.00 178.44 177.41 1z8s h GLU 546 N -0.19 0.00 0.07 1.25 5.08 -1.50 -2.66 114.58 116.62 1z8s h GLU 546 Ca 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1z8s h GLU 546 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1z8s h GLU 546 CO -0.23 0.28 -0.03 -0.44 -1.00 0.00 0.00 179.01 177.59 1z8s h ASP 547 N 0.00 -0.07 0.99 1.42 5.19 -0.71 -2.77 116.42 120.46 1z8s h ASP 547 Ca -0.00 -0.36 -0.07 0.00 -0.62 0.00 0.00 57.03 55.98 1z8s h ASP 547 Cb 0.84 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.36 1z8s h ASP 547 CO 0.04 0.33 -0.32 0.10 -3.12 0.00 0.00 179.24 176.27 1z8s h TYR 548 N -0.50 0.00 0.19 4.55 -0.00 -0.67 -2.37 116.97 118.16 1z8s h TYR 548 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.71 1z8s h TYR 548 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.16 1z8s h TYR 548 CO 0.06 0.32 -0.09 0.82 -0.00 0.00 0.00 178.16 179.27 1z8s h ILE 549 N 0.00 0.89 -0.64 -0.90 1.08 -1.46 -2.08 117.51 114.39 1z8s h ILE 549 Ca -0.00 -0.37 0.11 0.00 -0.39 0.00 0.00 64.86 64.20 1z8s h ILE 549 Cb 0.90 1.11 -0.04 0.00 -3.07 0.00 0.00 36.82 35.73 1z8s h ILE 549 CO 0.04 0.09 0.43 -0.09 -0.69 0.00 0.00 178.15 177.93 1z8s h ARG 550 N -0.43 0.42 -0.65 2.37 2.43 -1.44 0.28 114.38 117.36 1z8s h ARG 550 Ca -0.03 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1z8s h ARG 550 Cb 0.33 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1z8s h ARG 550 CO 0.04 0.28 0.31 0.45 -1.51 0.00 0.00 179.97 179.54 1z8s h HIS 551 N 0.43 0.92 0.00 2.20 3.86 -0.87 -2.59 115.15 119.10 1z8s h HIS 551 Ca 0.30 -0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.29 1z8s h HIS 551 Cb 0.60 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 1z8s h HIS 551 CO -0.00 0.67 -0.89 0.28 0.86 0.00 0.00 177.93 178.86 1z8s h VAL 552 N 0.92 1.57 -1.00 2.45 2.07 -0.33 -3.32 116.25 118.61 1z8s h VAL 552 Ca 0.23 -3.10 0.21 0.00 0.82 0.00 0.00 66.70 64.85 1z8s h VAL 552 Cb 0.10 2.70 -0.11 0.00 -1.52 0.00 0.00 31.29 32.46 1z8s h VAL 552 CO -0.03 0.87 0.61 0.17 0.02 0.00 0.00 177.57 179.21 1z8s h LEU 553 N 0.00 0.74 0.00 2.57 8.10 -0.86 -3.35 115.31 122.51 1z8s h LEU 553 Ca -0.01 0.10 0.00 0.00 0.11 0.00 0.00 57.88 58.09 1z8s h LEU 553 Cb 1.63 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 41.83 1z8s h LEU 553 CO 0.12 0.22 0.00 -3.20 -4.11 0.00 0.00 178.44 171.47 1z8s n ASN 554 N -4.78 0.00 -4.28 0.17 2.85 -1.24 -4.89 115.26 103.09 1z8s n ASN 554 Ca 0.24 -0.62 -0.35 0.00 -0.11 0.00 0.00 54.58 53.74 1z8s n ASN 554 Cb 0.63 0.00 0.07 0.00 1.24 0.00 0.00 39.78 41.72 1z8s n ASN 554 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1z8s n ARG 555 N 0.00 -0.01 0.00 1.20 1.85 -1.26 -4.78 116.66 113.66 1z8s n ARG 555 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 1z8s n ARG 555 Cb 0.00 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 29.93 1z8s n ARG 555 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1z8s n PRO 556 N 0.26 -0.55 0.00 2.89 -0.04 -1.26 -4.20 135.00 132.09 1z8s n PRO 556 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1z8s n PRO 556 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1z8s n PRO 556 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1z8s n LYS 557 N -1.06 0.00 -0.14 0.54 4.01 -1.26 -4.45 118.16 115.79 1z8s n LYS 557 Ca 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.69 1z8s n LYS 557 Cb 0.00 -0.01 0.02 0.00 -0.51 0.00 0.00 35.03 34.52 1z8s n LYS 557 CO 0.00 0.00 0.00 -1.49 -1.11 0.00 0.00 177.40 174.80 1z8s h TRP 558 N 0.00 1.09 -0.01 2.13 -0.00 -1.95 0.20 115.95 117.41 1z8s h TRP 558 Ca 0.00 -0.27 -0.18 0.00 -0.00 0.00 0.00 58.89 58.44 1z8s h TRP 558 Cb 0.00 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.16 28.89 1z8s h TRP 558 CO 0.00 1.08 -0.81 1.37 -0.00 0.00 0.00 178.44 180.08 1z8s h LEU 559 N 0.81 0.20 -0.34 -4.49 -0.00 -1.80 -2.60 115.31 107.10 1z8s h LEU 559 Ca 0.10 -0.15 -0.19 0.00 -0.00 0.00 0.00 57.88 57.64 1z8s h LEU 559 Cb 0.80 -0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.40 1z8s h LEU 559 CO 0.07 0.92 -0.74 0.24 -0.00 0.00 0.00 178.44 178.93 1z8s h MET 560 N 0.09 0.53 -0.44 0.17 2.86 -1.84 -2.57 114.93 113.73 1z8s h MET 560 Ca -0.03 -0.43 -0.15 0.00 -2.06 0.00 0.00 59.70 57.04 1z8s h MET 560 Cb 1.40 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 33.14 1z8s h MET 560 CO 0.12 1.05 -0.30 -0.07 1.06 0.00 0.00 176.91 178.78 1z8s h LEU 561 N 0.36 1.02 -0.69 1.22 3.38 -0.58 0.65 115.31 120.67 1z8s h LEU 561 Ca -0.04 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 1z8s h LEU 561 Cb 1.33 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1z8s h LEU 561 CO 0.14 1.23 0.21 0.50 0.09 0.00 0.00 178.44 180.61 1z8s h LYS 562 N 0.82 1.08 -0.60 1.13 3.11 -1.48 1.20 116.57 121.82 1z8s h LYS 562 Ca 0.09 -0.24 -0.10 0.00 -2.81 0.00 0.00 60.65 57.60 1z8s h LYS 562 Cb 0.89 -0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 31.94 1z8s h LYS 562 CO 0.08 0.93 0.00 0.28 -2.81 0.00 0.00 179.45 177.94 1z8s h VAL 563 N 1.02 1.26 0.00 2.00 2.07 -1.23 -0.99 116.25 120.38 1z8s h VAL 563 Ca 0.22 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1z8s h VAL 563 Cb 0.31 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1z8s h VAL 563 CO -0.01 0.42 -0.13 0.11 0.02 0.00 0.00 177.57 177.98 1z8s h LYS 564 N 0.96 0.00 -0.45 1.57 1.79 0.12 -2.62 116.57 117.94 1z8s h LYS 564 Ca 0.17 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.60 1z8s h LYS 564 Cb 0.55 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 1z8s h LYS 564 CO 0.03 0.13 0.10 1.49 -1.08 0.00 0.00 179.45 180.12 1z8s h GLU 565 N 0.00 0.72 -0.18 3.15 4.22 0.28 1.08 114.58 123.85 1z8s h GLU 565 Ca -0.00 -0.18 -0.18 0.00 0.08 0.00 0.00 59.36 59.08 1z8s h GLU 565 Cb 0.64 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1z8s h GLU 565 CO 0.02 0.73 -0.63 1.96 -2.18 0.00 0.00 179.01 178.90 1z8s h GLN 566 N 0.59 0.65 -0.08 1.92 4.20 -1.20 0.82 115.11 122.01 1z8s h GLN 566 Ca 0.14 -0.45 -0.22 0.00 0.06 0.00 0.00 58.65 58.18 1z8s h GLN 566 Cb 0.33 0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.19 1z8s h GLN 566 CO 0.00 1.07 -0.83 0.93 -0.67 0.00 0.00 178.83 179.33 1z8s h GLU 567 N 0.48 0.62 -0.09 1.46 5.08 -1.32 -1.49 114.58 119.31 1z8s h GLU 567 Ca -0.01 -0.55 -0.18 0.00 -1.00 0.00 0.00 59.36 57.62 1z8s h GLU 567 Cb 1.21 0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.60 1z8s h GLU 567 CO 0.12 1.17 -0.63 1.57 -1.00 0.00 0.00 179.01 180.24 1z8s h LYS 568 N 0.40 0.59 0.37 2.33 5.09 0.13 -2.58 116.57 122.89 1z8s h LYS 568 Ca -0.06 -0.51 -0.02 0.00 0.09 0.00 0.00 60.65 60.14 1z8s h LYS 568 Cb 1.45 0.12 0.00 0.00 0.10 0.00 0.00 32.23 33.90 1z8s h LYS 568 CO 0.16 1.14 -0.18 1.15 -2.09 0.00 0.00 179.45 179.63 1z8s h THR 569 N 0.22 0.65 -0.21 0.07 2.02 0.65 0.82 112.91 117.13 1z8s h THR 569 Ca -0.05 -0.25 0.06 0.00 0.77 0.00 0.00 66.41 66.94 1z8s h THR 569 Cb 1.28 0.78 -0.07 0.00 -1.74 0.00 0.00 68.15 68.40 1z8s h THR 569 CO 0.13 0.05 -0.29 -0.33 0.37 0.00 0.00 175.52 175.44 1z8s h GLU 570 N -0.63 -0.31 0.00 6.66 4.39 -1.36 0.19 114.58 123.52 1z8s h GLU 570 Ca -0.05 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1z8s h GLU 570 Cb 0.46 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1z8s h GLU 570 CO 0.08 -0.21 -0.25 0.00 -1.16 0.00 0.00 179.01 177.48 1z8s h ALA 571 N 0.61 1.48 -0.46 3.43 0.00 -1.41 -2.29 119.26 120.62 1z8s h ALA 571 Ca 0.12 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1z8s h ALA 571 Cb 0.51 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1z8s h ALA 571 CO -0.39 0.31 0.13 1.49 0.00 0.00 0.00 179.25 180.78 1z8s h GLU 572 N 0.00 0.27 0.03 0.00 4.22 0.38 3.80 114.58 123.28 1z8s h GLU 572 Ca -0.00 -0.02 -0.14 0.00 0.08 0.00 0.00 59.36 59.28 1z8s h GLU 572 Cb 0.47 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.67 1z8s h GLU 572 CO 0.03 0.18 -0.56 0.07 -2.18 0.00 0.00 179.01 176.55 1z8s h ARG 573 N 0.28 0.33 0.00 1.92 0.11 -1.13 -3.38 114.38 112.51 1z8s h ARG 573 Ca 0.22 -0.39 -0.23 0.00 0.10 0.00 0.00 59.98 59.68 1z8s h ARG 573 Cb 0.26 0.12 -0.04 0.00 1.11 0.00 0.00 29.97 31.42 1z8s h ARG 573 CO -0.26 1.09 -1.80 -2.13 0.10 0.00 0.00 179.97 176.97 1z8s n ARG 574 N -4.26 0.65 -0.37 0.08 0.63 -0.89 -5.08 116.66 107.41 1z8s n ARG 574 Ca -0.11 0.13 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1z8s n ARG 574 Cb 0.67 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.88 1z8s n ARG 574 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1z8s n LYS 575 N -2.81 -1.06 -4.15 -0.14 5.02 1.25 -4.94 118.16 111.34 1z8s n LYS 575 Ca -0.17 0.78 -0.34 0.00 -2.02 0.00 0.00 58.31 56.55 1z8s n LYS 575 Cb 0.94 -0.86 -0.10 0.00 -0.02 0.00 0.00 35.03 34.98 1z8s n LYS 575 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1z8s s ASP 576 N -1.79 5.41 0.00 4.39 -1.08 -1.25 -4.86 116.67 117.49 1z8s s ASP 576 Ca 0.00 0.06 0.00 0.00 -0.52 0.00 0.00 52.55 52.09 1z8s s ASP 576 Cb 0.00 -1.86 0.00 0.00 -1.46 0.00 0.00 42.92 39.60 1z8s s ASP 576 CO 0.00 0.21 0.00 0.49 0.52 0.00 0.00 175.17 176.39 1z8s n PHE 577 N 3.27 0.00 0.00 -5.34 3.72 -1.26 -3.43 117.46 114.41 1z8s n PHE 577 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 1z8s n PHE 577 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1z8s n PHE 577 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1z8s n LEU 578 N 0.00 0.19 0.00 4.37 0.00 -1.26 -5.12 117.00 115.18 1z8s n LEU 578 Ca 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 56.01 55.92 1z8s n LEU 578 Cb 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 43.42 43.15 1z8s n LEU 578 CO 0.00 -0.24 0.13 1.07 0.00 0.00 0.00 177.39 178.35 1z8s n THR 579 N -1.89 0.00 0.09 1.96 5.66 -1.22 -5.00 114.28 113.88 1z8s n THR 579 Ca 0.00 -1.46 0.01 0.00 -3.05 0.00 0.00 64.05 59.55 1z8s n THR 579 Cb 0.00 0.89 0.06 0.00 -1.55 0.00 0.00 70.33 69.73 1z8s n THR 579 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1z8s n ALA 580 N -1.13 1.15 -0.19 1.79 0.00 -1.26 -2.91 120.51 117.95 1z8s n ALA 580 Ca -0.11 -0.01 0.29 0.00 0.00 0.00 0.00 53.44 53.61 1z8s n ALA 580 Cb 0.48 -1.04 0.73 0.00 0.00 0.00 0.00 19.45 19.61 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 2.09 2.86 -0.12 0.00 0.00 -1.94 0.80 119.26 122.95 1z8s h ALA 581 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1z8s h ALA 581 Cb 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1z8s h ALA 581 CO 0.00 -1.16 -0.27 0.00 0.00 0.00 0.00 179.25 177.82 1z8s h ARG 582 N 0.00 0.22 -0.02 0.00 2.47 -1.86 -2.34 114.38 112.85 1z8s h ARG 582 Ca 0.44 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 59.07 1z8s h ARG 582 Cb 1.80 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.10 1z8s h ARG 582 CO -0.00 0.48 -0.03 0.82 0.56 0.00 0.00 179.97 181.80 1z8s h ILE 583 N 0.20 1.44 -0.81 2.04 1.08 0.36 -1.28 117.51 120.54 1z8s h ILE 583 Ca 0.03 -1.34 0.05 0.00 -0.39 0.00 0.00 64.86 63.21 1z8s h ILE 583 Cb 0.59 2.30 -0.05 0.00 -3.07 0.00 0.00 36.82 36.58 1z8s h ILE 583 CO 0.04 0.35 0.50 0.00 -0.69 0.00 0.00 178.15 178.36 1z8s h ALA 584 N 0.46 1.09 -0.21 1.87 0.00 -1.37 -1.67 119.26 119.42 1z8s h ALA 584 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1z8s h ALA 584 Cb 0.59 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1z8s h ALA 584 CO 0.01 0.27 -0.45 0.87 0.00 0.00 0.00 179.25 179.95 1z8s h LYS 585 N 0.95 0.54 -0.02 0.00 1.79 -1.47 -2.52 116.57 115.83 1z8s h LYS 585 Ca 0.34 -0.29 0.03 0.00 -2.18 0.00 0.00 60.65 58.55 1z8s h LYS 585 Cb 0.10 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.73 1z8s h LYS 585 CO -0.15 0.88 -0.16 0.93 -1.08 0.00 0.00 179.45 179.88 1z8s h GLU 586 N 0.43 -0.24 0.14 3.15 4.39 -0.29 0.35 114.58 122.52 1z8s h GLU 586 Ca 0.03 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1z8s h GLU 586 Cb 0.95 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1z8s h GLU 586 CO 0.08 -0.16 -0.07 0.52 -1.16 0.00 0.00 179.01 178.23 1z8s h MET 587 N -0.25 -0.18 -0.91 2.33 2.86 -1.50 -0.59 114.93 116.70 1z8s h MET 587 Ca 0.06 0.01 0.26 0.00 -2.06 0.00 0.00 59.70 57.97 1z8s h MET 587 Cb 0.33 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 1z8s h MET 587 CO -0.17 0.17 0.65 0.82 1.06 0.00 0.00 176.91 179.44 1z8s h ILE 588 N -0.55 0.56 -0.16 -1.22 5.03 -1.34 1.22 117.51 121.05 1z8s h ILE 588 Ca -0.02 -0.01 -0.15 0.00 -0.12 0.00 0.00 64.86 64.56 1z8s h ILE 588 Cb 0.43 0.52 0.00 0.00 -3.03 0.00 0.00 36.82 34.74 1z8s h ILE 588 CO 0.03 0.01 -0.47 -0.33 -0.68 0.00 0.00 178.15 176.70 1z8s h GLU 589 N 0.03 0.60 -0.83 2.37 4.39 0.13 -2.53 114.58 118.73 1z8s h GLU 589 Ca 0.44 -0.43 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1z8s h GLU 589 Cb 1.69 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 30.37 1z8s h GLU 589 CO -0.02 1.05 0.45 0.52 -1.16 0.00 0.00 179.01 179.85 1z8s h MET 590 N 0.25 1.17 -0.86 2.33 2.86 0.27 -1.77 114.93 119.18 1z8s h MET 590 Ca -0.02 -0.14 0.07 0.00 -2.06 0.00 0.00 59.70 57.56 1z8s h MET 590 Cb 1.10 -0.23 -0.07 0.00 0.06 0.00 0.00 31.60 32.46 1z8s h MET 590 CO 0.10 0.86 0.52 -0.22 1.06 0.00 0.00 176.91 179.24 1z8s h LYS 591 N 1.16 0.90 -0.82 1.72 1.63 0.45 0.83 116.57 122.44 1z8s h LYS 591 Ca 0.29 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 60.08 1z8s h LYS 591 Cb 0.04 -0.20 -0.05 0.00 -0.60 0.00 0.00 32.23 31.42 1z8s h LYS 591 CO -0.05 0.59 0.54 -0.22 -3.45 0.00 0.00 179.45 176.87 1z8s h LYS 592 N 0.92 0.96 -0.95 1.90 3.11 -0.89 -1.17 116.57 120.45 1z8s h LYS 592 Ca 0.39 -0.06 0.02 0.00 -2.81 0.00 0.00 60.65 58.19 1z8s h LYS 592 Cb 0.24 -0.22 -0.05 0.00 -1.00 0.00 0.00 32.23 31.20 1z8s h LYS 592 CO -0.20 0.64 0.62 0.52 -2.81 0.00 0.00 179.45 178.22 1z8s h MET 593 N 0.99 1.21 -0.26 1.90 0.00 -0.42 -2.72 114.93 115.62 1z8s h MET 593 Ca 0.33 -0.07 0.04 0.00 0.00 0.00 0.00 59.70 60.00 1z8s h MET 593 Cb 0.07 -0.27 -0.04 0.00 0.00 0.00 0.00 31.60 31.36 1z8s h MET 593 CO -0.10 0.80 0.03 -0.07 0.00 0.00 0.00 176.91 177.57 1z8s h LEU 594 N 1.24 -0.03 0.00 1.22 -0.00 -0.72 -3.45 115.31 113.56 1z8s h LEU 594 Ca 0.36 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.29 1z8s h LEU 594 Cb -0.08 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 1z8s h LEU 594 CO -0.10 0.02 0.00 -1.20 -0.00 0.00 0.00 178.44 177.16 1z8s n SER 595 N -5.11 -3.65 -2.05 -0.43 7.64 -1.03 -5.14 113.62 103.85 1z8s n SER 595 Ca -0.01 0.81 -0.03 0.00 1.01 0.00 0.00 58.87 60.65 1z8s n SER 595 Cb 0.12 3.45 -0.02 0.00 -1.01 0.00 0.00 64.21 66.75 1z8s n SER 595 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1z8s n SER 596 N -3.34 -1.41 -0.46 6.43 2.88 -1.19 -4.95 113.62 111.58 1z8s n SER 596 Ca 0.00 0.68 0.06 0.00 -1.33 0.00 0.00 58.87 58.28 1z8s n SER 596 Cb 0.00 -3.16 0.05 0.00 -0.75 0.00 0.00 64.21 60.35 1z8s n SER 596 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61