#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 0.56 -2.21 3.04 0.00 -2.10 -3.42 119.26 115.13 1z8s h ALA 453 Ca 0.00 -0.38 -0.56 0.00 0.00 0.00 0.00 54.91 53.97 1z8s h ALA 453 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1z8s h ALA 453 CO 0.00 0.53 0.74 0.15 0.00 0.00 0.00 179.25 180.67 1z8s s LYS 454 N -4.58 4.32 -0.16 0.00 -0.14 -1.26 -4.91 119.74 113.00 1z8s s LYS 454 Ca -0.12 1.53 0.15 0.00 -1.36 0.00 0.00 55.97 56.17 1z8s s LYS 454 Cb 0.10 -3.62 0.43 0.00 -1.68 0.00 0.00 37.83 33.06 1z8s s LYS 454 CO 0.85 -0.52 1.20 1.17 -0.76 0.00 0.00 175.35 177.28 1z8s n LYS 455 N 5.76 1.34 -3.51 1.68 4.81 -1.26 -5.00 118.16 121.97 1z8s n LYS 455 Ca 0.11 -3.04 -0.00 0.00 -0.87 0.00 0.00 58.31 54.51 1z8s n LYS 455 Cb 0.46 -1.25 -0.05 0.00 0.02 0.00 0.00 35.03 34.22 1z8s n LYS 455 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1z8s s LEU 456 N -2.44 -0.58 -0.63 3.14 1.43 -1.26 -5.11 118.68 113.23 1z8s s LEU 456 Ca 0.38 0.85 0.05 0.00 -1.03 0.00 0.00 54.13 54.37 1z8s s LEU 456 Cb 0.38 1.73 0.17 0.00 0.03 0.00 0.00 46.19 48.50 1z8s s LEU 456 CO -0.09 -0.12 0.45 -1.48 0.23 0.00 0.00 176.35 175.34 1z8s s LEU 457 N 2.02 3.96 0.00 1.79 0.05 -1.26 -5.11 118.68 120.13 1z8s s LEU 457 Ca -0.05 -3.63 -0.01 0.00 0.05 0.00 0.00 54.13 50.49 1z8s s LEU 457 Cb -0.05 -1.34 0.01 0.00 -2.05 0.00 0.00 46.19 42.76 1z8s s LEU 457 CO -0.17 -0.11 0.02 -2.65 -0.55 0.00 0.00 176.35 172.89 1z8s n PRO 458 N 2.23 -1.60 0.00 1.48 -0.02 -1.26 -5.03 135.00 130.81 1z8s n PRO 458 Ca 0.22 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1z8s n PRO 458 Cb 0.38 -0.04 0.00 0.00 -0.02 0.00 0.00 33.50 33.82 1z8s n PRO 458 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1z8s n ALA 459 N -2.72 0.00 -1.51 3.55 0.00 -1.26 -4.57 120.51 114.00 1z8s n ALA 459 Ca -0.00 -0.04 -0.34 0.00 0.00 0.00 0.00 53.44 53.06 1z8s n ALA 459 Cb 0.01 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.51 1z8s n ALA 459 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1z8s n PHE 460 N -1.45 2.78 -0.36 0.00 3.72 -1.26 -4.67 117.46 116.22 1z8s n PHE 460 Ca 0.00 -2.54 0.05 0.00 -0.05 0.00 0.00 57.45 54.91 1z8s n PHE 460 Cb 0.00 -1.30 0.21 0.00 -0.94 0.00 0.00 39.48 37.45 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 2.41 1.00 -0.39 -1.08 -0.00 -1.97 -1.86 115.11 113.21 1z8s h GLN 461 Ca 0.54 -0.06 0.04 0.00 -0.00 0.00 0.00 58.65 59.16 1z8s h GLN 461 Cb 0.53 -0.23 -0.04 0.00 0.00 0.00 0.00 27.48 27.75 1z8s h GLN 461 CO 1.37 0.66 0.17 -0.97 0.00 0.00 0.00 178.83 180.06 1z8s h ASN 462 N 1.03 0.21 -0.59 -0.69 -1.24 -1.96 0.15 115.58 112.50 1z8s h ASN 462 Ca 0.47 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.51 1z8s h ASN 462 Cb 0.38 -0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.39 1z8s h ASN 462 CO -0.24 0.16 0.37 0.00 -1.29 0.00 0.00 177.43 176.44 1z8s h ALA 463 N 1.23 0.74 -0.15 1.57 0.00 -1.71 -2.65 119.26 118.30 1z8s h ALA 463 Ca 0.17 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1z8s h ALA 463 Cb 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1z8s h ALA 463 CO -0.15 0.20 -0.09 1.49 0.00 0.00 0.00 179.25 180.70 1z8s h GLU 464 N 0.79 0.33 -0.12 0.00 4.81 -1.00 -2.32 114.58 117.08 1z8s h GLU 464 Ca 0.21 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1z8s h GLU 464 Cb -0.06 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 1z8s h GLU 464 CO -0.04 0.66 -0.15 0.07 -0.73 0.00 0.00 179.01 178.83 1z8s h ARG 465 N -0.01 -0.18 -0.06 1.92 0.11 -0.61 -1.06 114.38 114.49 1z8s h ARG 465 Ca 0.03 0.01 -0.07 0.00 0.10 0.00 0.00 59.98 60.06 1z8s h ARG 465 Cb 0.57 0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.68 1z8s h ARG 465 CO 0.03 -0.12 -0.27 1.37 0.10 0.00 0.00 179.97 181.08 1z8s h LEU 466 N -0.19 0.10 -0.99 0.08 -0.00 -1.55 -1.50 115.31 111.27 1z8s h LEU 466 Ca 0.09 -0.03 0.20 0.00 -0.00 0.00 0.00 57.88 58.14 1z8s h LEU 466 Cb 0.31 -0.03 -0.11 0.00 -0.00 0.00 0.00 40.66 40.84 1z8s h LEU 466 CO -0.23 0.37 0.58 0.25 -0.00 0.00 0.00 178.44 179.42 1z8s h LEU 467 N 0.09 0.72 -0.62 0.17 7.12 -0.62 0.65 115.31 122.83 1z8s h LEU 467 Ca 0.01 0.11 -0.15 0.00 0.13 0.00 0.00 57.88 57.98 1z8s h LEU 467 Cb 0.53 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.63 1z8s h LEU 467 CO 0.04 0.22 -0.62 -0.07 -0.13 0.00 0.00 178.44 177.87 1z8s h LEU 468 N 0.69 0.29 -0.31 2.25 3.38 -0.72 -1.78 115.31 119.12 1z8s h LEU 468 Ca 0.59 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.43 1z8s h LEU 468 Cb 0.97 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1z8s h LEU 468 CO -0.41 0.84 0.03 0.00 0.09 0.00 0.00 178.44 178.99 1z8s h ALA 469 N 1.16 0.30 0.09 1.53 0.00 0.73 0.86 119.26 123.93 1z8s h ALA 469 Ca -0.01 0.07 -0.28 0.00 0.00 0.00 0.00 54.91 54.69 1z8s h ALA 469 Cb 1.13 0.11 0.03 0.00 0.00 0.00 0.00 17.79 19.06 1z8s h ALA 469 CO 0.10 -0.38 -1.16 0.45 0.00 0.00 0.00 179.25 178.26 1z8s h HIS 470 N 0.13 1.00 -0.74 0.00 3.86 -1.52 -3.29 115.15 114.59 1z8s h HIS 470 Ca 0.14 -0.61 0.12 0.00 -1.16 0.00 0.00 60.37 58.87 1z8s h HIS 470 Cb 0.17 -0.09 -0.08 0.00 1.06 0.00 0.00 27.41 28.47 1z8s h HIS 470 CO -0.20 1.45 0.33 0.52 0.86 0.00 0.00 177.93 180.89 1z8s h MET 471 N 0.27 0.51 0.00 2.45 2.07 -0.91 -0.92 114.93 118.39 1z8s h MET 471 Ca -0.17 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.43 1z8s h MET 471 Cb 1.84 -0.11 0.00 0.00 -1.87 0.00 0.00 31.60 31.45 1z8s h MET 471 CO 0.22 0.34 0.03 -1.33 1.07 0.00 0.00 176.91 177.24 1z8s n MET 472 N -4.93 0.00 0.01 1.72 2.81 0.29 -4.06 117.12 112.96 1z8s n MET 472 Ca 0.13 0.28 0.00 0.00 -1.81 0.00 0.00 57.70 56.30 1z8s n MET 472 Cb 0.36 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 1z8s n MET 472 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1z8s n ARG 473 N -1.27 0.00 -1.93 0.03 1.74 -0.60 -2.49 116.66 112.14 1z8s n ARG 473 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 1z8s n ARG 473 Cb 0.03 -0.01 -0.03 0.00 -1.02 0.00 0.00 32.46 31.43 1z8s n ARG 473 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1z8s s SER 474 N -4.36 6.37 0.55 0.55 0.15 -0.45 -4.49 113.70 112.02 1z8s s SER 474 Ca 0.00 2.06 0.37 0.00 0.70 0.00 0.00 55.95 59.08 1z8s s SER 474 Cb 0.00 -2.53 1.81 0.00 -1.71 0.00 0.00 66.02 63.59 1z8s s SER 474 CO 0.00 -1.20 2.10 0.08 1.20 0.00 0.00 173.24 175.43 1z8s h ARG 475 N 10.85 0.00 0.06 5.44 0.11 -1.84 -2.02 114.38 126.98 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 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1z8s h ARG 475 CO 0.97 0.00 -0.03 0.22 0.10 0.00 0.00 179.97 181.23 1z8s h ASP 476 N 0.00 -0.06 -0.52 0.08 1.82 -1.95 -2.03 116.42 113.76 1z8s h ASP 476 Ca 0.00 -0.37 -0.03 0.00 -0.39 0.00 0.00 57.03 56.23 1z8s h ASP 476 Cb 0.20 0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.20 1z8s h ASP 476 CO 0.00 0.35 0.22 1.62 -1.61 0.00 0.00 179.24 179.82 1z8s h VAL 477 N -0.49 1.21 -0.59 2.25 3.04 -1.77 -0.15 116.25 119.74 1z8s h VAL 477 Ca -0.01 -0.66 0.11 0.00 -1.01 0.00 0.00 66.70 65.14 1z8s h VAL 477 Cb 0.43 0.54 -0.03 0.00 -2.01 0.00 0.00 31.29 30.22 1z8s h VAL 477 CO 0.01 0.26 0.40 0.00 -1.01 0.00 0.00 177.57 177.23 1z8s h ALA 478 N 1.43 2.12 -0.26 3.17 0.00 -1.18 0.22 119.26 124.77 1z8s h ALA 478 Ca 0.19 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 1z8s h ALA 478 Cb 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1z8s h ALA 478 CO -0.02 -0.26 -0.47 1.37 0.00 0.00 0.00 179.25 179.87 1z8s h LEU 479 N 0.32 0.75 -1.29 0.00 8.10 -0.29 -2.76 115.31 120.15 1z8s h LEU 479 Ca 0.28 -0.37 -0.02 0.00 0.11 0.00 0.00 57.88 57.88 1z8s h LEU 479 Cb 0.66 -0.21 -0.02 0.00 -0.44 0.00 0.00 40.66 40.64 1z8s h LEU 479 CO -0.07 1.10 0.23 -0.37 -4.11 0.00 0.00 178.44 175.22 1z8s h VAL 480 N 0.55 1.18 0.19 0.15 -1.51 -0.15 0.76 116.25 117.42 1z8s h VAL 480 Ca 0.03 -0.52 -0.01 0.00 -1.23 0.00 0.00 66.70 64.97 1z8s h VAL 480 Cb 1.03 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1z8s h VAL 480 CO 0.10 0.21 -0.09 1.62 -1.23 0.00 0.00 177.57 178.17 1z8s h VAL 481 N 0.71 0.86 -0.09 7.19 3.04 -1.29 0.88 116.25 127.55 1z8s h VAL 481 Ca 0.18 -0.94 -0.02 0.00 -1.01 0.00 0.00 66.70 64.91 1z8s h VAL 481 Cb 0.10 1.37 -0.00 0.00 -2.01 0.00 0.00 31.29 30.74 1z8s h VAL 481 CO -0.02 0.19 -0.02 0.06 -1.01 0.00 0.00 177.57 176.77 1z8s h GLN 482 N -0.77 0.18 0.08 4.17 3.07 -1.34 -1.72 115.11 118.78 1z8s h GLN 482 Ca -0.03 -0.07 -0.12 0.00 0.09 0.00 0.00 58.65 58.53 1z8s h GLN 482 Cb 0.51 -0.01 0.01 0.00 0.08 0.00 0.00 27.48 28.08 1z8s h GLN 482 CO 0.04 0.48 -0.52 1.49 0.09 0.00 0.00 178.83 180.42 1z8s h GLU 483 N -0.14 0.21 0.00 0.06 4.81 0.41 -3.41 114.58 116.51 1z8s h GLU 483 Ca 0.02 -0.33 -0.20 0.00 -0.13 0.00 0.00 59.36 58.72 1z8s h GLU 483 Cb 0.42 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1z8s h GLU 483 CO 0.01 1.14 -1.19 0.54 -0.73 0.00 0.00 179.01 178.78 1z8s n ARG 484 N -4.30 0.54 -1.80 1.92 3.00 0.44 -4.95 116.66 111.51 1z8s n ARG 484 Ca -0.12 0.54 -0.33 0.00 -0.01 0.00 0.00 57.85 57.93 1z8s n ARG 484 Cb 0.69 -1.72 0.04 0.00 0.00 0.00 0.00 32.46 31.48 1z8s n ARG 484 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1z8s s ILE 485 N -2.35 3.24 0.00 0.55 1.01 0.28 -4.98 121.20 118.95 1z8s s ILE 485 Ca -0.27 0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.98 1z8s s ILE 485 Cb 0.06 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1z8s s ILE 485 CO 0.51 -0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.71 1z8s n GLY 486 N -0.47 3.12 0.00 6.18 0.00 -1.26 -4.48 105.19 108.29 1z8s n GLY 486 Ca 0.10 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 5.00 3.21 1.83 -0.02 0.00 -1.26 -4.99 105.19 108.95 1z8s n GLY 487 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.89 0.00 0.00 1.61 0.00 -1.26 -5.14 116.66 110.98 1z8s n ARG 488 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1z8s n ARG 488 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 32.46 32.43 1z8s n ARG 488 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1z8s n PHE 489 N -2.81 0.00 -0.86 -0.14 3.72 -1.26 -5.16 117.46 110.95 1z8s n PHE 489 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1z8s n PHE 489 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1z8s n PHE 489 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1z8s n ASN 490 N -0.05 -0.68 -4.59 4.37 2.85 -1.26 -4.48 115.26 111.42 1z8s n ASN 490 Ca 0.00 0.00 -0.53 0.00 -0.11 0.00 0.00 54.58 53.94 1z8s n ASN 490 Cb 0.00 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 40.96 1z8s n ASN 490 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1z8s n ILE 491 N -0.11 0.02 -0.03 -1.44 -0.00 -1.26 -4.89 119.36 111.65 1z8s n ILE 491 Ca 0.00 -0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.62 1z8s n ILE 491 Cb 0.00 -0.73 -0.07 0.00 -0.00 0.00 0.00 39.64 38.84 1z8s n ILE 491 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 1z8s h GLU 492 N 4.50 0.18 -0.20 6.28 5.08 -1.99 -2.92 114.58 125.52 1z8s h GLU 492 Ca -0.48 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 57.87 1z8s h GLU 492 Cb 1.35 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.52 1z8s h GLU 492 CO 0.77 0.49 -0.24 1.05 -1.00 0.00 0.00 179.01 180.08 1z8s h GLU 493 N -0.14 -0.26 0.60 2.33 9.09 -1.95 0.64 114.58 124.90 1z8s h GLU 493 Ca 0.02 0.02 -0.03 0.00 0.05 0.00 0.00 59.36 59.42 1z8s h GLU 493 Cb 0.42 0.06 0.01 0.00 -1.65 0.00 0.00 28.75 27.58 1z8s h GLU 493 CO 0.01 -0.17 -0.29 0.45 0.05 0.00 0.00 179.01 179.06 1z8s h HIS 494 N -0.27 -0.75 -0.71 2.06 3.86 -1.97 -1.32 115.15 116.05 1z8s h HIS 494 Ca 0.12 -0.02 0.19 0.00 -1.16 0.00 0.00 60.37 59.50 1z8s h HIS 494 Cb 0.45 0.25 -0.04 0.00 1.06 0.00 0.00 27.41 29.13 1z8s h HIS 494 CO -0.37 -0.44 0.50 0.07 0.86 0.00 0.00 177.93 178.55 1z8s h ARG 495 N -0.89 0.12 0.00 2.45 0.11 -1.35 1.13 114.38 115.95 1z8s h ARG 495 Ca -0.08 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 59.92 1z8s h ARG 495 Cb 0.65 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.69 1z8s h ARG 495 CO 0.14 0.08 -0.35 0.00 0.10 0.00 0.00 179.97 179.94 1z8s h ALA 496 N 1.65 1.31 0.48 0.08 0.00 0.10 -1.38 119.26 121.51 1z8s h ALA 496 Ca 0.35 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1z8s h ALA 496 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1z8s h ALA 496 CO -0.04 0.43 -0.23 1.25 0.00 0.00 0.00 179.25 180.66 1z8s h LEU 497 N 0.00 -0.55 -1.45 0.00 7.12 0.24 1.41 115.31 122.08 1z8s h LEU 497 Ca -0.00 -0.05 0.13 0.00 0.13 0.00 0.00 57.88 58.09 1z8s h LEU 497 Cb 0.66 0.14 -0.05 0.00 -0.53 0.00 0.00 40.66 40.88 1z8s h LEU 497 CO 0.05 -0.29 0.51 0.00 -0.13 0.00 0.00 178.44 178.58 1z8s h ALA 498 N -0.34 1.93 -0.15 1.25 0.00 -1.34 -0.16 119.26 120.46 1z8s h ALA 498 Ca -0.07 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 1z8s h ALA 498 Cb 0.56 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1z8s h ALA 498 CO 0.11 -0.13 -0.75 0.00 0.00 0.00 0.00 179.25 178.48 1z8s h ALA 499 N 1.63 0.38 -0.19 0.00 0.00 -0.64 -3.11 119.26 117.33 1z8s h ALA 499 Ca 0.37 -0.60 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1z8s h ALA 499 Cb 0.66 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 1z8s h ALA 499 CO -0.14 0.70 -0.32 1.88 0.00 0.00 0.00 179.25 181.37 1z8s h TYR 500 N 0.50 -0.88 -0.92 0.00 0.05 0.38 -0.04 116.97 116.07 1z8s h TYR 500 Ca -0.04 0.04 0.06 0.00 0.05 0.00 0.00 58.73 58.84 1z8s h TYR 500 Cb 1.37 0.41 -0.06 0.00 1.01 0.00 0.00 36.73 39.46 1z8s h TYR 500 CO 0.08 -0.39 0.58 -0.84 -1.05 0.00 0.00 178.16 176.54 1z8s h ILE 501 N -0.36 1.07 -0.83 -2.88 -0.00 -1.59 -2.13 117.51 110.79 1z8s h ILE 501 Ca 0.11 -0.37 0.18 0.00 -0.00 0.00 0.00 64.86 64.79 1z8s h ILE 501 Cb 0.54 -0.09 -0.15 0.00 -0.00 0.00 0.00 36.82 37.12 1z8s h ILE 501 CO -0.39 0.19 -0.12 0.22 -0.00 0.00 0.00 178.15 178.06 1z8s h TYR 502 N 1.06 -0.29 -0.30 0.16 5.03 -0.94 0.32 116.97 122.02 1z8s h TYR 502 Ca 0.39 0.07 -0.12 0.00 2.58 0.00 0.00 58.73 61.65 1z8s h TYR 502 Cb 0.15 0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.68 1z8s h TYR 502 CO -0.02 -0.34 -0.28 0.00 -1.32 0.00 0.00 178.16 176.21 1z8s h ALA 503 N 1.82 0.44 -0.30 1.82 0.00 -1.00 -2.78 119.26 119.26 1z8s h ALA 503 Ca 0.43 -0.40 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1z8s h ALA 503 Cb 0.72 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1z8s h ALA 503 CO -0.81 0.45 0.32 0.74 0.00 0.00 0.00 179.25 179.94 1z8s h PHE 504 N 0.47 0.00 -0.05 0.00 0.04 0.06 0.02 116.94 117.48 1z8s h PHE 504 Ca 0.05 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.69 1z8s h PHE 504 Cb 0.85 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.00 1z8s h PHE 504 CO 0.07 0.00 -0.46 1.88 -0.60 0.00 0.00 178.31 179.20 1z8s h TYR 505 N 0.00 0.56 -0.08 -0.55 -1.99 -0.54 1.15 116.97 115.52 1z8s h TYR 505 Ca 0.14 -0.27 0.02 0.00 2.00 0.00 0.00 58.73 60.62 1z8s h TYR 505 Cb 0.77 -0.08 -0.00 0.00 2.00 0.00 0.00 36.73 39.42 1z8s h TYR 505 CO 0.00 1.05 0.08 0.93 -0.00 0.00 0.00 178.16 180.23 1z8s h GLU 506 N -0.09 0.00 0.00 4.88 5.08 -0.93 -1.78 114.58 121.74 1z8s h GLU 506 Ca -0.04 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 1z8s h GLU 506 Cb 1.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1z8s h GLU 506 CO 0.09 0.00 -2.00 0.39 -1.00 0.00 0.00 179.01 176.50 1z8s n GLU 507 N -3.93 0.80 -2.19 2.33 4.71 -0.92 -5.08 120.64 116.36 1z8s n GLU 507 Ca -0.01 -0.11 -0.00 0.00 -0.01 0.00 0.00 57.16 57.03 1z8s n GLU 507 Cb 0.18 -1.45 -0.00 0.00 -1.01 0.00 0.00 31.44 29.17 1z8s n GLU 507 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1z8s n GLY 508 N 1.63 -3.71 0.13 0.62 0.00 0.39 -5.02 105.19 99.23 1z8s n GLY 508 Ca -0.13 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.43 0.00 -3.53 1.61 8.25 -1.04 -5.01 115.22 115.92 1z8s n HIS 509 Ca -0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.24 1z8s n HIS 509 Cb 0.02 0.02 0.08 0.00 1.12 0.00 0.00 29.99 31.22 1z8s n HIS 509 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1z8s n GLU 510 N 0.00 -7.15 0.00 -0.41 2.13 -1.26 -3.34 120.64 110.61 1z8s n GLU 510 Ca 0.00 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.64 1z8s n GLU 510 Cb 0.54 -5.84 0.00 0.00 0.27 0.00 0.00 31.44 26.41 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 -4.55 0.00 -2.39 4.31 0.00 -1.26 -4.36 120.51 112.26 1z8s n ALA 511 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.29 1z8s n ALA 511 Cb 0.62 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 1.81 -6.28 -0.04 0.00 8.00 -1.21 -4.07 116.55 114.75 1z8s n ASP 512 Ca 0.00 1.06 -0.12 0.00 0.71 0.00 0.00 54.79 56.44 1z8s n ASP 512 Cb 0.00 -4.19 -0.06 0.00 -0.02 0.00 0.00 41.12 36.85 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 2.27 -0.42 -0.71 -0.24 0.11 -1.76 1.44 132.00 132.68 1z8s h PRO 513 Ca -0.01 0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.21 1z8s h PRO 513 Cb 0.03 0.10 -0.05 0.00 0.11 0.00 0.00 31.00 31.19 1z8s h PRO 513 CO 0.07 -0.28 0.47 0.78 -0.21 0.00 0.00 178.00 178.83 1z8s h GLY 514 N -0.44 0.88 1.85 -0.55 0.00 -1.91 0.79 103.07 103.68 1z8s h GLY 514 Ca 0.09 -0.26 -0.23 0.00 0.00 0.00 0.00 47.33 46.93 1z8s h GLY 514 CO -0.46 0.17 -1.10 0.00 0.00 0.00 0.00 176.54 175.15 1z8s h ALA 515 N 1.63 0.28 0.17 3.60 0.00 -1.53 -3.09 119.26 120.32 1z8s h ALA 515 Ca 0.32 -0.92 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1z8s h ALA 515 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1z8s h ALA 515 CO -0.11 1.17 -0.08 1.25 0.00 0.00 0.00 179.25 181.48 1z8s h LEU 516 N 0.02 -0.19 -2.02 0.00 7.12 0.34 -3.31 115.31 117.26 1z8s h LEU 516 Ca -0.06 -0.11 0.10 0.00 0.13 0.00 0.00 57.88 57.94 1z8s h LEU 516 Cb 1.84 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 42.01 1z8s h LEU 516 CO 0.15 0.32 0.27 0.40 -0.13 0.00 0.00 178.44 179.45 1z8s h ILE 517 N -1.03 0.77 -0.46 4.05 1.08 0.36 -1.31 117.51 120.96 1z8s h ILE 517 Ca -0.02 0.00 -0.31 0.00 -0.39 0.00 0.00 64.86 64.14 1z8s h ILE 517 Cb 0.30 0.81 -0.14 0.00 -3.07 0.00 0.00 36.82 34.72 1z8s h ILE 517 CO 0.04 0.00 0.40 -1.54 -0.69 0.00 0.00 178.15 176.36 1z8s n SER 518 N -4.35 6.20 -0.25 1.72 3.41 -1.17 -3.76 113.62 115.43 1z8s n SER 518 Ca 0.06 -3.03 0.01 0.00 -0.26 0.00 0.00 58.87 55.64 1z8s n SER 518 Cb 0.45 -1.03 0.01 0.00 -0.26 0.00 0.00 64.21 63.38 1z8s n SER 518 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1z8s n ARG 519 N 0.32 0.21 -3.22 4.33 1.74 -0.49 -4.97 116.66 114.59 1z8s n ARG 519 Ca 0.29 -0.90 -0.30 0.00 -0.77 0.00 0.00 57.85 56.17 1z8s n ARG 519 Cb 0.61 -0.58 -0.04 0.00 -1.02 0.00 0.00 32.46 31.43 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 -0.21 4.92 -0.04 0.55 -1.09 -1.25 -5.02 121.20 119.06 1z8s s ILE 520 Ca 0.02 0.36 -0.26 0.00 -2.23 0.00 0.00 60.65 58.54 1z8s s ILE 520 Cb 0.02 -3.70 -0.20 0.00 -1.58 0.00 0.00 42.46 37.00 1z8s s ILE 520 CO 0.00 -0.30 1.14 -0.65 -1.23 0.00 0.00 174.94 173.90 1z8s h PRO 521 N 1.82 -0.05 0.00 2.79 0.11 -1.94 -3.45 132.00 131.27 1z8s h PRO 521 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1z8s h PRO 521 Cb 1.18 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1z8s h PRO 521 CO 0.66 0.49 0.00 0.41 -0.21 0.00 0.00 178.00 179.35 1z8s n GLY 522 N 0.44 0.00 0.13 -0.55 0.00 -1.26 -4.96 105.19 98.99 1z8s n GLY 522 Ca -0.09 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1z8s n GLY 522 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1z8s n GLU 523 N -0.04 0.70 0.00 1.61 4.71 -1.26 -3.94 120.64 122.43 1z8s n GLU 523 Ca 0.00 0.36 0.15 0.00 -0.01 0.00 0.00 57.16 57.65 1z8s n GLU 523 Cb 0.00 -1.72 0.70 0.00 -1.01 0.00 0.00 31.44 29.40 1z8s n GLU 523 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1z8s n LEU 524 N -3.77 0.37 0.29 -4.62 7.94 -1.26 -2.60 117.00 113.35 1z8s n LEU 524 Ca -0.32 0.02 -0.12 0.00 -1.11 0.00 0.00 56.01 54.48 1z8s n LEU 524 Cb 0.94 -0.15 -0.06 0.00 0.53 0.00 0.00 43.42 44.68 1z8s n LEU 524 CO 0.36 0.07 0.37 1.56 -1.11 0.00 0.00 177.39 178.63 1z8s h GLN 525 N 0.49 -0.74 -0.52 1.96 1.08 -1.88 0.96 115.11 116.47 1z8s h GLN 525 Ca 0.00 0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.21 1z8s h GLN 525 Cb 0.29 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 1z8s h GLN 525 CO 0.00 -0.49 0.15 -1.35 -0.95 0.00 0.00 178.83 176.19 1z8s h PRO 526 N -1.01 0.81 0.64 1.46 0.11 -1.71 -1.90 132.00 130.40 1z8s h PRO 526 Ca -0.08 -0.18 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 1z8s h PRO 526 Cb 0.59 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.59 1z8s h PRO 526 CO 0.13 0.76 -0.31 -0.07 -0.21 0.00 0.00 178.00 178.30 1z8s h LEU 527 N 0.71 -0.73 -0.77 2.35 3.38 -1.53 -2.70 115.31 116.02 1z8s h LEU 527 Ca 0.17 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.25 1z8s h LEU 527 Cb 0.29 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 1z8s h LEU 527 CO -0.00 -0.51 0.42 0.00 0.09 0.00 0.00 178.44 178.43 1z8s h ALA 528 N -0.50 1.09 -0.43 1.53 0.00 0.99 1.03 119.26 122.97 1z8s h ALA 528 Ca -0.09 0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1z8s h ALA 528 Cb 0.66 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1z8s h ALA 528 CO 0.14 0.03 0.09 0.77 0.00 0.00 0.00 179.25 180.28 1z8s h SER 529 N 0.70 0.01 0.67 0.00 0.02 -1.23 1.15 113.55 114.87 1z8s h SER 529 Ca 0.38 0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 61.27 1z8s h SER 529 Cb 0.37 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1z8s h SER 529 CO -0.26 0.04 -0.64 -0.33 -1.14 0.00 0.00 176.83 174.50 1z8s h GLU 530 N 0.22 0.00 0.00 3.45 5.08 -1.01 -3.02 114.58 119.30 1z8s h GLU 530 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1z8s h GLU 530 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1z8s h GLU 530 CO -0.28 0.64 0.00 1.25 -1.00 0.00 0.00 179.01 179.62 1z8s h LEU 531 N 0.00 0.00 -1.44 1.33 5.85 0.35 -3.32 115.31 118.08 1z8s h LEU 531 Ca -0.01 0.00 0.21 0.00 0.84 0.00 0.00 57.88 58.93 1z8s h LEU 531 Cb 1.15 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 1z8s h LEU 531 CO 0.08 0.00 0.88 0.77 -0.34 0.00 0.00 178.44 179.83 1z8s h SER 532 N 0.00 0.00 -0.20 1.25 4.64 0.14 -2.45 113.55 116.93 1z8s h SER 532 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 1z8s h SER 532 Cb 0.63 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.53 1z8s h SER 532 CO 0.00 0.00 -0.50 -0.11 -0.87 0.00 0.00 176.83 175.35 1z8s n LEU 533 N -3.40 -1.55 0.22 5.97 7.94 -1.25 -4.51 117.00 120.42 1z8s n LEU 533 Ca 0.16 -3.63 0.06 0.00 -1.11 0.00 0.00 56.01 51.48 1z8s n LEU 533 Cb 1.12 0.35 0.51 0.00 0.53 0.00 0.00 43.42 45.92 1z8s n LEU 533 CO 0.24 1.93 0.87 0.17 -1.11 0.00 0.00 177.39 179.50 1z8s h LEU 534 N 2.42 0.00 -5.04 -1.96 8.10 -1.54 -3.40 115.31 113.89 1z8s h LEU 534 Ca -0.19 0.00 0.04 0.00 0.11 0.00 0.00 57.88 57.84 1z8s h LEU 534 Cb 1.22 0.00 -0.16 0.00 -0.44 0.00 0.00 40.66 41.28 1z8s h LEU 534 CO 0.07 0.21 -0.11 -1.48 -4.11 0.00 0.00 178.44 173.02 1z8s s LEU 535 N -8.32 -0.26 0.00 0.17 0.05 -1.26 -5.10 118.68 103.96 1z8s s LEU 535 Ca -0.03 -0.27 0.00 0.00 0.05 0.00 0.00 54.13 53.88 1z8s s LEU 535 Cb 0.15 0.34 0.00 0.00 -2.05 0.00 0.00 46.19 44.63 1z8s s LEU 535 CO 0.69 -0.01 0.00 2.30 -0.55 0.00 0.00 176.35 178.77 1z8s n ILE 536 N 2.82 0.00 -3.95 1.48 -5.35 -1.26 -4.79 119.36 108.30 1z8s n ILE 536 Ca 0.10 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.55 1z8s n ILE 536 Cb 0.65 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.54 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 0.08 0.52 -1.28 0.00 -1.26 -4.90 120.51 110.67 1z8s n ALA 537 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1z8s n ALA 537 Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1z8s n ALA 537 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1z8s n ASP 538 N -2.58 3.58 0.00 0.00 8.00 -1.26 -3.22 116.55 121.07 1z8s n ASP 538 Ca 0.01 -2.06 0.00 0.00 0.71 0.00 0.00 54.79 53.45 1z8s n ASP 538 Cb 0.11 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 1z8s n ASP 538 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1z8s n ASP 539 N 0.82 0.00 -1.50 -2.24 2.03 -1.26 -5.05 116.55 109.35 1z8s n ASP 539 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1z8s n ASP 539 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 1z8s n ASP 539 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1z8s n VAL 540 N 0.00 -2.89 -2.43 5.18 3.14 -1.20 -4.47 118.33 115.67 1z8s n VAL 540 Ca 0.00 1.40 -0.43 0.00 -2.96 0.00 0.00 64.34 62.35 1z8s n VAL 540 Cb 0.00 -2.16 0.00 0.00 -1.06 0.00 0.00 33.84 30.62 1z8s n VAL 540 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1z8s n SER 541 N -2.06 4.75 -0.12 6.55 3.41 -1.26 -4.68 113.62 120.21 1z8s n SER 541 Ca 0.00 -2.92 -0.06 0.00 -0.26 0.00 0.00 58.87 55.63 1z8s n SER 541 Cb 0.28 -1.70 -0.00 0.00 -0.26 0.00 0.00 64.21 62.53 1z8s n SER 541 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1z8s h GLU 542 N 7.09 -0.19 -0.52 4.33 4.81 -1.97 2.19 114.58 130.32 1z8s h GLU 542 Ca 0.46 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.80 1z8s h GLU 542 Cb 0.81 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.15 1z8s h GLU 542 CO 1.54 -0.13 0.03 1.96 -0.73 0.00 0.00 179.01 181.67 1z8s h GLN 543 N -0.20 0.14 -0.19 1.92 4.20 -1.98 0.49 115.11 119.49 1z8s h GLN 543 Ca 0.19 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.79 1z8s h GLN 543 Cb 0.50 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1z8s h GLN 543 CO -0.51 0.09 -0.31 1.49 -0.67 0.00 0.00 178.83 178.92 1z8s h GLU 544 N 0.14 0.37 -0.22 1.46 4.57 -1.67 -2.78 114.58 116.45 1z8s h GLU 544 Ca 0.27 -0.15 0.05 0.00 -1.18 0.00 0.00 59.36 58.35 1z8s h GLU 544 Cb 0.40 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.93 1z8s h GLU 544 CO -0.42 0.65 -0.10 1.25 -1.18 0.00 0.00 179.01 179.20 1z8s h LEU 545 N 0.33 -0.35 -0.53 1.64 5.85 0.85 0.94 115.31 124.04 1z8s h LEU 545 Ca 0.04 0.09 -0.16 0.00 0.84 0.00 0.00 57.88 58.69 1z8s h LEU 545 Cb 0.71 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1z8s h LEU 545 CO 0.05 -0.14 -0.64 -0.33 -0.34 0.00 0.00 178.44 177.04 1z8s h GLU 546 N -0.08 0.35 0.19 1.25 5.08 -1.24 -2.33 114.58 117.81 1z8s h GLU 546 Ca 0.12 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1z8s h GLU 546 Cb 0.25 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1z8s h GLU 546 CO -0.27 0.88 -0.09 0.22 -1.00 0.00 0.00 179.01 178.74 1z8s h ASP 547 N 0.25 -0.22 0.30 1.42 1.82 -1.14 -2.76 116.42 116.10 1z8s h ASP 547 Ca -0.01 -0.30 -0.02 0.00 -0.39 0.00 0.00 57.03 56.31 1z8s h ASP 547 Cb 1.18 0.06 -0.00 0.00 0.68 0.00 0.00 39.33 41.25 1z8s h ASP 547 CO 0.11 0.31 -0.10 0.10 -1.61 0.00 0.00 179.24 178.05 1z8s h TYR 548 N -0.90 0.00 -0.33 0.28 -0.00 0.79 -1.07 116.97 115.74 1z8s h TYR 548 Ca -0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 58.73 58.65 1z8s h TYR 548 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.22 1z8s h TYR 548 CO 0.07 0.10 0.01 0.82 -0.00 0.00 0.00 178.16 179.16 1z8s h ILE 549 N 0.00 1.25 -0.91 -0.90 2.04 -1.44 -0.36 117.51 117.20 1z8s h ILE 549 Ca -0.00 -0.93 0.17 0.00 1.00 0.00 0.00 64.86 65.11 1z8s h ILE 549 Cb 0.27 1.21 -0.07 0.00 -0.74 0.00 0.00 36.82 37.49 1z8s h ILE 549 CO 0.01 0.30 0.59 -0.09 0.00 0.00 0.00 178.15 178.96 1z8s h ARG 550 N 0.38 0.56 -0.16 2.37 2.43 -0.90 0.58 114.38 119.64 1z8s h ARG 550 Ca 0.09 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 1z8s h ARG 550 Cb 0.42 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1z8s h ARG 550 CO 0.01 0.37 -0.43 0.45 -1.51 0.00 0.00 179.97 178.87 1z8s h HIS 551 N 0.58 0.46 0.00 2.20 -0.00 -0.92 -2.99 115.15 114.48 1z8s h HIS 551 Ca 0.47 -0.13 -0.16 0.00 -0.00 0.00 0.00 60.37 60.55 1z8s h HIS 551 Cb 0.93 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 28.22 1z8s h HIS 551 CO -0.00 0.75 -0.74 0.28 -0.00 0.00 0.00 177.93 178.22 1z8s h VAL 552 N 0.32 1.51 -0.12 2.45 2.07 0.16 -3.32 116.25 119.33 1z8s h VAL 552 Ca 0.03 -2.55 0.04 0.00 0.82 0.00 0.00 66.70 65.04 1z8s h VAL 552 Cb 0.88 2.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.97 1z8s h VAL 552 CO 0.07 0.72 -0.37 0.25 0.02 0.00 0.00 177.57 178.27 1z8s h LEU 553 N 0.00 -1.15 0.00 2.57 5.85 -0.45 -3.47 115.31 118.65 1z8s h LEU 553 Ca -0.01 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1z8s h LEU 553 Cb 1.32 0.48 0.00 0.00 0.37 0.00 0.00 40.66 42.83 1z8s h LEU 553 CO 0.10 -0.40 0.00 -3.20 -0.34 0.00 0.00 178.44 174.60 1z8s n ASN 554 N -5.43 0.00 0.16 1.25 2.85 -1.25 -4.94 115.26 107.91 1z8s n ASN 554 Ca -0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 1z8s n ASN 554 Cb 0.35 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.37 1z8s n ASN 554 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1z8s n ARG 555 N 0.00 0.00 -1.01 1.20 1.74 -1.26 -4.97 116.66 112.35 1z8s n ARG 555 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1z8s n ARG 555 Cb 0.00 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.50 1z8s n ARG 555 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1z8s n PRO 556 N -3.28 -0.04 -1.89 5.56 -0.02 -1.26 -4.83 135.00 129.24 1z8s n PRO 556 Ca 0.00 0.01 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 1z8s n PRO 556 Cb 0.00 -1.30 -0.02 0.00 -0.02 0.00 0.00 33.50 32.17 1z8s n PRO 556 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1z8s n LYS 557 N 1.01 3.74 -0.00 -0.52 5.02 -1.26 -4.62 118.16 121.53 1z8s n LYS 557 Ca 0.03 -3.23 -0.09 0.00 -2.02 0.00 0.00 58.31 52.99 1z8s n LYS 557 Cb 0.54 -2.40 -0.08 0.00 -0.02 0.00 0.00 35.03 33.07 1z8s n LYS 557 CO 0.00 0.00 0.00 2.35 -0.52 0.00 0.00 177.40 179.23 1z8s h TRP 558 N 3.81 -0.10 0.00 2.13 7.01 -1.90 -3.01 115.95 123.88 1z8s h TRP 558 Ca 0.56 -0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.49 1z8s h TRP 558 Cb 0.43 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.51 1z8s h TRP 558 CO 1.48 0.40 -0.31 -0.07 -2.79 0.00 0.00 178.44 177.15 1z8s h LEU 559 N -0.92 0.00 -1.00 0.65 -0.00 -1.89 -2.08 115.31 110.07 1z8s h LEU 559 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 1z8s h LEU 559 Cb 0.55 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.17 1z8s h LEU 559 CO 0.02 0.31 0.48 -0.03 -0.00 0.00 0.00 178.44 179.21 1z8s h MET 560 N 0.00 1.18 -0.09 1.13 4.05 -1.84 0.34 114.93 119.71 1z8s h MET 560 Ca -0.00 -0.13 -0.11 0.00 -0.28 0.00 0.00 59.70 59.18 1z8s h MET 560 Cb 0.55 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 1z8s h MET 560 CO 0.04 0.85 -0.42 1.25 0.23 0.00 0.00 176.91 178.86 1z8s h LEU 561 N 1.19 0.21 -0.32 3.39 6.46 -1.25 0.40 115.31 125.38 1z8s h LEU 561 Ca 0.30 -0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.91 1z8s h LEU 561 Cb 0.01 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 1z8s h LEU 561 CO -0.05 0.61 -0.04 0.50 -0.62 0.00 0.00 178.44 178.84 1z8s h LYS 562 N 0.16 0.60 0.25 1.25 3.11 -0.46 1.10 116.57 122.58 1z8s h LYS 562 Ca 0.01 -0.21 -0.01 0.00 -2.81 0.00 0.00 60.65 57.63 1z8s h LYS 562 Cb 0.82 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.01 1z8s h LYS 562 CO 0.06 0.75 -0.13 0.28 -2.81 0.00 0.00 179.45 177.61 1z8s h VAL 563 N 0.38 0.73 -0.65 2.00 2.07 -0.06 0.56 116.25 121.28 1z8s h VAL 563 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1z8s h VAL 563 Cb 0.51 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1z8s h VAL 563 CO 0.02 0.00 0.43 0.11 0.02 0.00 0.00 177.57 178.15 1z8s h LYS 564 N -0.35 0.85 -0.83 1.57 1.79 -0.82 -0.36 116.57 118.42 1z8s h LYS 564 Ca -0.03 -0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1z8s h LYS 564 Cb 0.28 -0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 30.68 1z8s h LYS 564 CO 0.05 0.57 0.55 0.93 -1.08 0.00 0.00 179.45 180.46 1z8s h GLU 565 N 0.88 0.96 -0.46 3.15 5.08 0.23 1.08 114.58 125.50 1z8s h GLU 565 Ca 0.24 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1z8s h GLU 565 Cb -0.10 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 28.91 1z8s h GLU 565 CO -0.05 0.64 0.16 0.37 -1.00 0.00 0.00 179.01 179.13 1z8s h GLN 566 N 0.99 0.71 -0.02 2.33 4.15 0.85 1.13 115.11 125.25 1z8s h GLN 566 Ca 0.34 -0.14 -0.17 0.00 0.77 0.00 0.00 58.65 59.45 1z8s h GLN 566 Cb 0.10 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 1z8s h GLN 566 CO -0.11 0.66 -0.74 0.93 -1.93 0.00 0.00 178.83 177.64 1z8s h GLU 567 N 0.61 0.17 -0.16 1.69 5.08 -1.10 -2.58 114.58 118.29 1z8s h GLU 567 Ca 0.15 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1z8s h GLU 567 Cb 0.24 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1z8s h GLU 567 CO -0.01 0.83 -0.43 0.87 -1.00 0.00 0.00 179.01 179.27 1z8s h LYS 568 N 0.11 0.37 -0.01 2.33 6.56 0.18 -2.63 116.57 123.48 1z8s h LYS 568 Ca -0.02 -0.19 -0.26 0.00 -1.06 0.00 0.00 60.65 59.12 1z8s h LYS 568 Cb 1.31 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.99 1z8s h LYS 568 CO 0.11 0.74 -1.01 0.00 -2.06 0.00 0.00 179.45 177.23 1z8s h THR 569 N 0.30 1.31 -0.71 -0.16 1.03 0.14 0.47 112.91 115.29 1z8s h THR 569 Ca 0.02 -2.28 0.08 0.00 -0.01 0.00 0.00 66.41 64.22 1z8s h THR 569 Cb 0.89 2.37 -0.06 0.00 -1.07 0.00 0.00 68.15 70.27 1z8s h THR 569 CO 0.07 0.70 0.38 -0.33 -0.01 0.00 0.00 175.52 176.34 1z8s h GLU 570 N 0.37 0.66 0.00 0.00 5.08 -1.38 -0.08 114.58 119.22 1z8s h GLU 570 Ca -0.11 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.02 1z8s h GLU 570 Cb 1.65 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.73 1z8s h GLU 570 CO 0.19 0.44 -0.86 0.00 -1.00 0.00 0.00 179.01 177.77 1z8s h ALA 571 N 1.39 0.48 -0.50 3.43 0.00 -1.44 -2.63 119.26 119.99 1z8s h ALA 571 Ca 0.33 -0.79 0.07 0.00 0.00 0.00 0.00 54.91 54.53 1z8s h ALA 571 Cb 0.27 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1z8s h ALA 571 CO -0.22 1.08 0.16 1.49 0.00 0.00 0.00 179.25 181.76 1z8s h GLU 572 N 0.00 0.31 0.03 0.00 4.22 0.18 3.86 114.58 123.18 1z8s h GLU 572 Ca -0.01 -0.02 -0.14 0.00 0.08 0.00 0.00 59.36 59.27 1z8s h GLU 572 Cb 1.62 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.81 1z8s h GLU 572 CO 0.11 0.21 -0.57 0.07 -2.18 0.00 0.00 179.01 176.65 1z8s h ARG 573 N 0.32 0.34 0.00 1.92 0.11 -1.35 -3.40 114.38 112.32 1z8s h ARG 573 Ca 0.24 -0.40 -0.22 0.00 0.10 0.00 0.00 59.98 59.70 1z8s h ARG 573 Cb 0.28 0.12 -0.04 0.00 1.11 0.00 0.00 29.97 31.44 1z8s h ARG 573 CO -0.27 1.10 -2.08 0.54 0.10 0.00 0.00 179.97 179.36 1z8s n ARG 574 N -4.26 1.02 -0.11 0.08 5.12 -0.99 -5.06 116.66 112.46 1z8s n ARG 574 Ca -0.11 -0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 1z8s n ARG 574 Cb 0.67 -1.44 -0.00 0.00 -1.16 0.00 0.00 32.46 30.53 1z8s n ARG 574 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1z8s n LYS 575 N -2.49 -0.28 0.00 5.56 5.02 1.27 -4.93 118.16 122.32 1z8s n LYS 575 Ca -0.21 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1z8s n LYS 575 Cb 0.89 -0.28 0.00 0.00 -0.02 0.00 0.00 35.03 35.63 1z8s n LYS 575 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1z8s n ASP 576 N -1.68 0.00 0.01 4.39 8.00 -1.26 -4.82 116.55 121.18 1z8s n ASP 576 Ca -0.00 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.50 1z8s n ASP 576 Cb 0.04 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1z8s n ASP 576 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1z8s h PHE 577 N 0.00 -0.02 -2.09 1.24 3.04 -1.97 -3.43 116.94 113.71 1z8s h PHE 577 Ca 0.00 -0.00 -0.46 0.00 3.98 0.00 0.00 57.97 61.49 1z8s h PHE 577 Cb 0.00 0.01 -0.33 0.00 2.56 0.00 0.00 35.95 38.18 1z8s h PHE 577 CO 0.00 -0.01 -0.80 -0.51 -2.02 0.00 0.00 178.31 174.97 1z8s s LEU 578 N -4.08 0.48 0.00 0.59 1.43 -1.26 -5.12 118.68 110.72 1z8s s LEU 578 Ca -0.00 -2.27 0.00 0.00 -1.03 0.00 0.00 54.13 50.82 1z8s s LEU 578 Cb 0.00 0.20 0.00 0.00 0.03 0.00 0.00 46.19 46.42 1z8s s LEU 578 CO 0.01 -0.21 0.00 0.41 0.23 0.00 0.00 176.35 176.79 1z8s n THR 579 N 3.50 0.00 0.16 5.49 -1.04 -1.26 -3.63 114.28 117.50 1z8s n THR 579 Ca 0.19 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.23 1z8s n THR 579 Cb 0.46 -0.33 0.10 0.00 -1.82 0.00 0.00 70.33 68.74 1z8s n THR 579 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1z8s n ALA 580 N -1.72 1.22 -0.24 2.41 0.00 -1.26 -3.08 120.51 117.83 1z8s n ALA 580 Ca 0.01 -0.02 0.25 0.00 0.00 0.00 0.00 53.44 53.68 1z8s n ALA 580 Cb 0.45 -1.07 0.62 0.00 0.00 0.00 0.00 19.45 19.44 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 2.16 2.55 -0.03 0.00 0.00 -1.94 0.45 119.26 122.45 1z8s h ALA 581 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1z8s h ALA 581 Cb 0.08 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1z8s h ALA 581 CO 0.00 -0.86 -0.70 0.00 0.00 0.00 0.00 179.25 177.69 1z8s h ARG 582 N 0.21 0.17 0.10 0.00 -0.00 -1.72 -2.59 114.38 110.54 1z8s h ARG 582 Ca 0.49 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.98 59.83 1z8s h ARG 582 Cb 1.56 0.03 0.00 0.00 0.00 0.00 0.00 29.97 31.56 1z8s h ARG 582 CO -0.12 0.80 -0.05 0.82 0.00 0.00 0.00 179.97 181.42 1z8s h ILE 583 N 0.12 1.14 -0.26 2.04 1.08 -0.39 -2.34 117.51 118.89 1z8s h ILE 583 Ca -0.02 -1.14 0.02 0.00 -0.39 0.00 0.00 64.86 63.34 1z8s h ILE 583 Cb 1.24 1.83 -0.03 0.00 -3.07 0.00 0.00 36.82 36.79 1z8s h ILE 583 CO 0.10 0.27 0.10 0.00 -0.69 0.00 0.00 178.15 177.92 1z8s h ALA 584 N 0.11 0.30 -0.58 1.87 0.00 -1.24 -1.84 119.26 117.86 1z8s h ALA 584 Ca -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1z8s h ALA 584 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1z8s h ALA 584 CO 0.02 -0.31 0.36 0.87 0.00 0.00 0.00 179.25 180.19 1z8s h LYS 585 N 0.22 0.78 -0.05 0.00 1.57 -1.55 -2.55 116.57 115.00 1z8s h LYS 585 Ca 0.11 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1z8s h LYS 585 Cb 0.07 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1z8s h LYS 585 CO -0.11 0.55 0.00 0.93 -0.57 0.00 0.00 179.45 180.25 1z8s h GLU 586 N 0.80 0.08 0.14 3.15 4.39 -0.82 -1.55 114.58 120.77 1z8s h GLU 586 Ca 0.21 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.91 1z8s h GLU 586 Cb -0.04 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 1z8s h GLU 586 CO -0.04 0.33 -0.30 1.98 -1.16 0.00 0.00 179.01 179.82 1z8s h MET 587 N -0.19 -0.52 -0.70 2.33 4.05 -1.12 0.95 114.93 119.74 1z8s h MET 587 Ca 0.01 0.04 0.18 0.00 -0.28 0.00 0.00 59.70 59.65 1z8s h MET 587 Cb 0.29 0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 31.18 1z8s h MET 587 CO 0.00 -0.34 0.49 0.82 0.23 0.00 0.00 176.91 178.11 1z8s h ILE 588 N -0.54 0.70 -0.14 1.77 5.03 -1.48 0.98 117.51 123.84 1z8s h ILE 588 Ca 0.03 -0.05 -0.19 0.00 -0.12 0.00 0.00 64.86 64.53 1z8s h ILE 588 Cb 0.56 0.55 -0.00 0.00 -3.03 0.00 0.00 36.82 34.89 1z8s h ILE 588 CO -0.16 0.03 -0.68 -0.33 -0.68 0.00 0.00 178.15 176.32 1z8s h GLU 589 N 0.14 0.56 -0.04 2.37 5.08 0.34 -2.38 114.58 120.65 1z8s h GLU 589 Ca 0.34 -0.42 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 1z8s h GLU 589 Cb 1.14 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1z8s h GLU 589 CO -0.05 1.05 -0.44 0.52 -1.00 0.00 0.00 179.01 179.09 1z8s h MET 590 N 0.40 0.08 -0.09 2.33 2.86 0.80 -2.16 114.93 119.16 1z8s h MET 590 Ca -0.02 -0.04 -0.17 0.00 -2.06 0.00 0.00 59.70 57.40 1z8s h MET 590 Cb 1.26 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.92 1z8s h MET 590 CO 0.13 0.51 -0.68 -0.22 1.06 0.00 0.00 176.91 177.71 1z8s h LYS 591 N 0.07 0.40 -0.17 1.72 3.64 0.07 -2.62 116.57 119.68 1z8s h LYS 591 Ca 0.00 -0.30 -0.08 0.00 -1.27 0.00 0.00 60.65 59.00 1z8s h LYS 591 Cb 0.81 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1z8s h LYS 591 CO 0.06 0.93 -0.20 0.87 -2.27 0.00 0.00 179.45 178.85 1z8s h LYS 592 N 0.28 0.43 -0.79 1.90 1.79 -1.16 0.07 116.57 119.09 1z8s h LYS 592 Ca -0.02 -0.24 -0.05 0.00 -2.18 0.00 0.00 60.65 58.16 1z8s h LYS 592 Cb 1.24 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.86 1z8s h LYS 592 CO 0.12 0.81 0.30 0.00 -1.08 0.00 0.00 179.45 179.59 1z8s h MET 593 N 0.07 1.19 0.00 3.15 -0.00 -1.43 -2.72 114.93 115.18 1z8s h MET 593 Ca 0.02 -0.23 -0.13 0.00 -0.00 0.00 0.00 59.70 59.36 1z8s h MET 593 Cb 0.75 -0.19 -0.02 0.00 -0.00 0.00 0.00 31.60 32.14 1z8s h MET 593 CO 0.05 0.97 -0.64 1.37 -0.00 0.00 0.00 176.91 178.66 1z8s h LEU 594 N 1.15 0.00 -7.83 -0.10 8.10 -1.49 -3.43 115.31 111.72 1z8s h LEU 594 Ca 0.26 0.00 -0.65 0.00 0.11 0.00 0.00 57.88 57.60 1z8s h LEU 594 Cb 0.24 0.00 -0.37 0.00 -0.44 0.00 0.00 40.66 40.09 1z8s h LEU 594 CO -0.02 0.64 -0.80 -0.44 -4.11 0.00 0.00 178.44 173.71 1z8s s SER 595 N -6.54 4.15 -0.20 0.17 0.01 0.01 -4.49 113.70 106.81 1z8s s SER 595 Ca 0.03 -1.26 -0.16 0.00 1.31 0.00 0.00 55.95 55.86 1z8s s SER 595 Cb 0.09 -1.44 -0.12 0.00 0.21 0.00 0.00 66.02 64.76 1z8s s SER 595 CO 0.76 -0.18 -0.09 -0.24 0.41 0.00 0.00 173.24 173.89 1z8s n SER 596 N 4.51 1.88 0.00 2.44 2.88 -1.25 -4.39 113.62 119.70 1z8s n SER 596 Ca -0.14 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1z8s n SER 596 Cb 0.43 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 1z8s n SER 596 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27