#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 0.29 -5.84 3.04 0.00 -2.10 -3.47 119.26 111.18 1z8s h ALA 453 Ca 0.00 -0.32 -0.38 0.00 0.00 0.00 0.00 54.91 54.21 1z8s h ALA 453 Cb 0.00 -0.07 0.13 0.00 0.00 0.00 0.00 17.79 17.85 1z8s h ALA 453 CO 0.00 0.17 -0.73 1.17 0.00 0.00 0.00 179.25 179.85 1z8s n LYS 454 N -4.51 -7.02 -3.75 0.00 4.81 -1.26 -5.00 118.16 101.44 1z8s n LYS 454 Ca -0.05 0.80 -0.24 0.00 -0.87 0.00 0.00 58.31 57.95 1z8s n LYS 454 Cb 0.36 -5.79 -0.17 0.00 0.02 0.00 0.00 35.03 29.45 1z8s n LYS 454 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1z8s s LYS 455 N -5.96 0.54 0.82 1.64 2.20 -1.26 -5.10 119.74 112.62 1z8s s LYS 455 Ca 0.33 0.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 1z8s s LYS 455 Cb -0.15 -1.24 0.00 0.00 -1.51 0.00 0.00 37.83 34.93 1z8s s LYS 455 CO 0.75 -0.40 0.00 1.28 -0.36 0.00 0.00 175.35 176.61 1z8s n LEU 456 N 5.15 0.00 0.03 5.43 4.77 -1.26 -5.02 117.00 126.09 1z8s n LEU 456 Ca -0.07 0.95 0.00 0.00 -0.03 0.00 0.00 56.01 56.85 1z8s n LEU 456 Cb 0.49 -2.66 0.00 0.00 -2.33 0.00 0.00 43.42 38.93 1z8s n LEU 456 CO 0.11 -2.17 0.00 -0.11 -1.33 0.00 0.00 177.39 173.88 1z8s n LEU 457 N 0.00 -0.49 0.00 2.23 7.94 -1.26 -5.13 117.00 120.29 1z8s n LEU 457 Ca 0.01 0.19 0.00 0.00 -1.11 0.00 0.00 56.01 55.10 1z8s n LEU 457 Cb 0.40 0.68 0.00 0.00 0.53 0.00 0.00 43.42 45.03 1z8s n LEU 457 CO 0.01 -0.10 0.00 -2.65 -1.11 0.00 0.00 177.39 173.54 1z8s n PRO 458 N -2.48 2.31 -1.67 1.96 -0.02 -1.26 -4.87 135.00 128.97 1z8s n PRO 458 Ca 0.00 0.00 -0.52 0.00 -2.02 0.00 0.00 63.50 60.96 1z8s n PRO 458 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.42 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 -3.00 0.47 -1.17 3.55 0.00 -1.26 -4.83 120.51 114.26 1z8s n ALA 459 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1z8s n ALA 459 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.05 1z8s n ALA 459 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1z8s n PHE 460 N 6.53 0.00 0.32 0.00 1.16 -1.26 -3.35 117.46 120.86 1z8s n PHE 460 Ca 0.26 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.67 1z8s n PHE 460 Cb 0.22 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.00 1z8s n PHE 460 CO 0.00 0.00 0.00 0.37 -1.87 0.00 0.00 176.76 175.26 1z8s h GLN 461 N 0.00 -0.78 -0.38 3.97 -0.00 -1.98 0.26 115.11 116.20 1z8s h GLN 461 Ca 0.00 0.05 0.04 0.00 -0.00 0.00 0.00 58.65 58.74 1z8s h GLN 461 Cb 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 27.48 27.62 1z8s h GLN 461 CO 0.00 -0.52 0.15 -0.97 0.00 0.00 0.00 178.83 177.49 1z8s h ASN 462 N -0.81 0.19 0.41 -0.69 -1.24 -1.97 0.93 115.58 112.39 1z8s h ASN 462 Ca -0.08 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 56.95 1z8s h ASN 462 Cb 0.64 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.70 1z8s h ASN 462 CO 0.11 0.15 -0.20 0.00 -1.29 0.00 0.00 177.43 176.20 1z8s h ALA 463 N 1.23 -0.55 -0.31 1.57 0.00 -1.80 -2.63 119.26 116.77 1z8s h ALA 463 Ca 0.17 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1z8s h ALA 463 Cb 0.12 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1z8s h ALA 463 CO -0.15 -0.76 0.21 1.49 0.00 0.00 0.00 179.25 180.04 1z8s h GLU 464 N -0.64 0.26 0.39 0.00 4.81 -0.34 -2.51 114.58 116.54 1z8s h GLU 464 Ca -0.06 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1z8s h GLU 464 Cb 0.47 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1z8s h GLU 464 CO 0.09 0.17 -0.19 -0.09 -0.73 0.00 0.00 179.01 178.27 1z8s h ARG 465 N 0.26 -0.50 -0.11 1.92 2.43 -0.55 -1.60 114.38 116.23 1z8s h ARG 465 Ca 0.13 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1z8s h ARG 465 Cb 0.20 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1z8s h ARG 465 CO -0.03 -0.23 0.08 -0.07 -1.51 0.00 0.00 179.97 178.21 1z8s h LEU 466 N -0.71 0.07 -0.96 3.80 3.38 -1.26 0.29 115.31 119.92 1z8s h LEU 466 Ca -0.05 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1z8s h LEU 466 Cb 0.50 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1z8s h LEU 466 CO 0.09 0.05 -0.13 0.25 0.09 0.00 0.00 178.44 178.78 1z8s h LEU 467 N 0.08 0.59 -0.71 1.67 6.46 -1.20 -1.47 115.31 120.73 1z8s h LEU 467 Ca 0.05 -0.17 0.14 0.00 -0.12 0.00 0.00 57.88 57.78 1z8s h LEU 467 Cb 0.09 -0.16 -0.10 0.00 -0.73 0.00 0.00 40.66 39.76 1z8s h LEU 467 CO -0.01 0.75 0.22 -0.07 -0.62 0.00 0.00 178.44 178.71 1z8s h LEU 468 N 0.55 0.13 -0.60 2.25 3.38 0.57 0.43 115.31 122.02 1z8s h LEU 468 Ca 0.10 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.26 1z8s h LEU 468 Cb 0.55 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 1z8s h LEU 468 CO 0.03 0.03 0.29 0.00 0.09 0.00 0.00 178.44 178.89 1z8s h ALA 469 N 1.55 0.79 0.42 1.53 0.00 -1.00 0.49 119.26 123.05 1z8s h ALA 469 Ca 0.39 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 1z8s h ALA 469 Cb 0.62 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1z8s h ALA 469 CO -0.44 -0.08 -0.36 0.45 0.00 0.00 0.00 179.25 178.82 1z8s h HIS 470 N 0.53 -0.96 -0.09 0.00 3.86 0.17 -3.00 115.15 115.66 1z8s h HIS 470 Ca 0.28 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.38 1z8s h HIS 470 Cb 0.24 0.36 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 1z8s h HIS 470 CO -0.11 -0.51 -0.47 0.52 0.86 0.00 0.00 177.93 178.22 1z8s h MET 471 N -0.78 0.23 0.00 2.45 2.86 -0.93 -3.04 114.93 115.72 1z8s h MET 471 Ca -0.04 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1z8s h MET 471 Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1z8s h MET 471 CO -0.02 0.65 0.20 -1.33 1.06 0.00 0.00 176.91 177.47 1z8s n MET 472 N -3.98 0.00 -0.02 1.72 2.81 0.17 -2.52 117.12 115.30 1z8s n MET 472 Ca -0.02 0.18 -0.04 0.00 -1.81 0.00 0.00 57.70 56.01 1z8s n MET 472 Cb 0.52 -1.70 -0.01 0.00 -0.71 0.00 0.00 33.22 31.31 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 -1.12 0.25 -4.76 0.03 0.63 -1.15 -4.03 116.66 106.51 1z8s n ARG 473 Ca 0.00 0.10 -0.33 0.00 -0.92 0.00 0.00 57.85 56.69 1z8s n ARG 473 Cb 0.20 -0.92 -0.12 0.00 0.45 0.00 0.00 32.46 32.07 1z8s n ARG 473 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1z8s s SER 474 N -5.89 4.32 0.57 6.15 0.01 -1.05 -4.86 113.70 112.96 1z8s s SER 474 Ca -0.13 -0.11 0.34 0.00 1.31 0.00 0.00 55.95 57.35 1z8s s SER 474 Cb 0.02 -1.00 1.72 0.00 0.21 0.00 0.00 66.02 66.97 1z8s s SER 474 CO 0.20 0.35 2.14 0.08 0.41 0.00 0.00 173.24 176.42 1z8s h ARG 475 N 5.29 0.00 0.03 12.44 0.11 -1.85 -2.52 114.38 127.89 1z8s h ARG 475 Ca -0.48 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.60 1z8s h ARG 475 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 1z8s h ARG 475 CO 0.51 0.05 -0.02 0.22 0.10 0.00 0.00 179.97 180.84 1z8s h ASP 476 N 0.00 -0.04 -0.55 0.08 3.58 -1.95 -2.39 116.42 115.16 1z8s h ASP 476 Ca -0.00 -0.46 -0.02 0.00 0.42 0.00 0.00 57.03 56.97 1z8s h ASP 476 Cb 0.28 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 1z8s h ASP 476 CO 0.01 0.45 0.29 1.62 -2.88 0.00 0.00 179.24 178.73 1z8s h VAL 477 N -0.54 1.18 -0.87 2.25 3.04 -1.87 -1.09 116.25 118.36 1z8s h VAL 477 Ca -0.00 -0.49 0.12 0.00 -1.01 0.00 0.00 66.70 65.32 1z8s h VAL 477 Cb 0.50 0.43 -0.08 0.00 -2.01 0.00 0.00 31.29 30.13 1z8s h VAL 477 CO 0.01 0.21 0.49 0.00 -1.01 0.00 0.00 177.57 177.26 1z8s h ALA 478 N 1.52 1.28 -0.47 3.17 0.00 -1.30 0.44 119.26 123.90 1z8s h ALA 478 Ca 0.20 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1z8s h ALA 478 Cb 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1z8s h ALA 478 CO -0.03 0.04 0.17 1.37 0.00 0.00 0.00 179.25 180.81 1z8s h LEU 479 N 0.76 0.61 -0.89 0.00 8.10 -0.68 -2.30 115.31 120.92 1z8s h LEU 479 Ca 0.44 -0.07 -0.05 0.00 0.11 0.00 0.00 57.88 58.31 1z8s h LEU 479 Cb 0.50 -0.16 -0.03 0.00 -0.44 0.00 0.00 40.66 40.54 1z8s h LEU 479 CO -0.30 0.57 0.24 0.58 -4.11 0.00 0.00 178.44 175.42 1z8s h VAL 480 N 0.67 1.25 0.02 0.15 2.07 0.17 -1.23 116.25 119.35 1z8s h VAL 480 Ca 0.16 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1z8s h VAL 480 Cb 0.16 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1z8s h VAL 480 CO -0.01 0.33 -0.01 1.62 0.02 0.00 0.00 177.57 179.51 1z8s h VAL 481 N 1.02 1.34 -0.10 2.57 3.04 -0.70 -2.35 116.25 121.07 1z8s h VAL 481 Ca 0.23 -1.16 -0.02 0.00 -1.01 0.00 0.00 66.70 64.75 1z8s h VAL 481 Cb 0.25 2.11 -0.00 0.00 -2.01 0.00 0.00 31.29 31.64 1z8s h VAL 481 CO -0.01 0.29 -0.01 -0.61 -1.01 0.00 0.00 177.57 176.22 1z8s h GLN 482 N -0.54 0.19 -0.15 4.17 5.75 -1.45 0.17 115.11 123.24 1z8s h GLN 482 Ca -0.00 -0.07 -0.09 0.00 -0.15 0.00 0.00 58.65 58.35 1z8s h GLN 482 Cb 0.51 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.04 1z8s h GLN 482 CO 0.01 0.47 -0.24 0.93 -2.65 0.00 0.00 178.83 177.35 1z8s h GLU 483 N -0.11 0.43 -0.02 1.69 5.08 -1.35 -3.34 114.58 116.96 1z8s h GLU 483 Ca 0.03 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1z8s h GLU 483 Cb 0.39 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1z8s h GLU 483 CO 0.01 0.85 -0.35 0.54 -1.00 0.00 0.00 179.01 179.06 1z8s n ARG 484 N -4.45 1.50 -3.98 2.33 1.74 -0.89 -5.00 116.66 107.91 1z8s n ARG 484 Ca -0.06 -1.10 -0.09 0.00 -0.77 0.00 0.00 57.85 55.83 1z8s n ARG 484 Cb 0.43 -1.41 -0.08 0.00 -1.02 0.00 0.00 32.46 30.39 1z8s n ARG 484 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1z8s s ILE 485 N -2.18 0.09 0.00 0.55 2.07 0.59 -4.78 121.20 117.53 1z8s s ILE 485 Ca 0.18 -1.46 0.00 0.00 -1.41 0.00 0.00 60.65 57.96 1z8s s ILE 485 Cb 0.17 -1.78 0.00 0.00 0.13 0.00 0.00 42.46 40.98 1z8s s ILE 485 CO 0.47 -0.41 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 1z8s n GLY 486 N -0.15 4.49 0.00 1.50 0.00 -1.25 -3.91 105.19 105.87 1z8s n GLY 486 Ca -0.09 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 2.45 3.65 -0.02 0.00 -1.26 -4.94 105.19 105.06 1z8s n GLY 487 Ca 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 1z8s n GLY 487 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1z8s s ARG 488 N 0.63 1.87 0.00 1.61 3.52 -1.26 -5.08 118.95 120.24 1z8s s ARG 488 Ca 0.00 -1.42 0.00 0.00 -0.13 0.00 0.00 55.73 54.18 1z8s s ARG 488 Cb 0.00 0.52 0.00 0.00 -1.56 0.00 0.00 34.95 33.91 1z8s s ARG 488 CO 0.00 -0.82 0.00 1.19 -0.81 0.00 0.00 175.30 174.86 1z8s n PHE 489 N -0.49 -1.68 0.00 5.12 3.72 -1.26 -4.10 117.46 118.78 1z8s n PHE 489 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1z8s n PHE 489 Cb 0.61 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.15 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 -1.74 0.00 -4.02 4.37 2.85 -1.26 -4.47 115.26 111.00 1z8s n ASN 490 Ca 0.00 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.04 1z8s n ASN 490 Cb 0.00 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.03 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 0.00 4.71 -0.12 -1.44 -5.35 -1.26 -4.78 119.36 111.13 1z8s n ILE 491 Ca 0.00 -5.06 -0.07 0.00 -0.27 0.00 0.00 62.75 57.35 1z8s n ILE 491 Cb 0.00 -2.29 0.09 0.00 -1.74 0.00 0.00 39.64 35.71 1z8s n ILE 491 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1z8s h GLU 492 N 5.85 0.85 0.25 6.28 4.22 -1.78 -1.48 114.58 128.76 1z8s h GLU 492 Ca 0.30 -0.29 -0.01 0.00 0.08 0.00 0.00 59.36 59.44 1z8s h GLU 492 Cb 0.67 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1z8s h GLU 492 CO 1.44 0.92 -0.17 0.93 -2.18 0.00 0.00 179.01 179.95 1z8s h GLU 493 N 0.76 -0.39 0.64 1.92 4.39 -1.95 0.83 114.58 120.77 1z8s h GLU 493 Ca 0.13 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.82 1z8s h GLU 493 Cb 0.62 0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1z8s h GLU 493 CO 0.04 -0.26 -0.31 0.45 -1.16 0.00 0.00 179.01 177.77 1z8s h HIS 494 N -0.41 -0.79 -0.85 4.33 3.86 -1.96 -1.23 115.15 118.10 1z8s h HIS 494 Ca -0.02 -0.02 0.20 0.00 -1.16 0.00 0.00 60.37 59.38 1z8s h HIS 494 Cb 0.35 0.26 -0.06 0.00 1.06 0.00 0.00 27.41 29.02 1z8s h HIS 494 CO -0.10 -0.45 0.58 -0.09 0.86 0.00 0.00 177.93 178.73 1z8s h ARG 495 N -1.02 0.28 -0.22 2.45 1.12 -1.25 0.85 114.38 116.59 1z8s h ARG 495 Ca -0.09 -0.02 -0.08 0.00 -1.11 0.00 0.00 59.98 58.68 1z8s h ARG 495 Cb 0.70 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.58 1z8s h ARG 495 CO 0.14 0.19 -0.22 0.00 -3.11 0.00 0.00 179.97 176.97 1z8s h ALA 496 N 1.61 1.21 0.20 2.80 0.00 0.11 -2.30 119.26 122.90 1z8s h ALA 496 Ca 0.43 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1z8s h ALA 496 Cb 1.23 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1z8s h ALA 496 CO -0.12 0.51 -0.15 1.25 0.00 0.00 0.00 179.25 180.74 1z8s h LEU 497 N 0.36 -0.38 -1.45 0.00 6.46 0.19 1.60 115.31 122.09 1z8s h LEU 497 Ca 0.06 0.03 0.23 0.00 -0.12 0.00 0.00 57.88 58.08 1z8s h LEU 497 Cb 0.59 0.12 -0.08 0.00 -0.73 0.00 0.00 40.66 40.56 1z8s h LEU 497 CO 0.04 -0.23 0.64 0.00 -0.62 0.00 0.00 178.44 178.26 1z8s h ALA 498 N 0.42 2.23 -0.13 1.25 0.00 -1.28 0.45 119.26 122.21 1z8s h ALA 498 Ca -0.01 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 1z8s h ALA 498 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1z8s h ALA 498 CO -0.00 -0.57 -0.76 0.00 0.00 0.00 0.00 179.25 177.92 1z8s h ALA 499 N 1.61 0.43 -0.27 0.00 0.00 -0.15 -3.09 119.26 117.78 1z8s h ALA 499 Ca 0.53 -0.60 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1z8s h ALA 499 Cb 1.34 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 1z8s h ALA 499 CO -0.22 0.72 -0.27 1.88 0.00 0.00 0.00 179.25 181.35 1z8s h TYR 500 N 0.44 -0.74 -0.97 0.00 0.05 0.70 -0.12 116.97 116.34 1z8s h TYR 500 Ca -0.04 0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.79 1z8s h TYR 500 Cb 1.36 0.37 -0.05 0.00 1.01 0.00 0.00 36.73 39.42 1z8s h TYR 500 CO 0.07 -0.35 0.63 -0.84 -1.05 0.00 0.00 178.16 176.62 1z8s h ILE 501 N -0.27 1.25 -0.85 -2.88 -2.65 -1.58 -2.34 117.51 108.19 1z8s h ILE 501 Ca 0.14 -0.48 0.21 0.00 1.03 0.00 0.00 64.86 65.77 1z8s h ILE 501 Cb 0.49 -0.16 -0.13 0.00 -2.05 0.00 0.00 36.82 34.97 1z8s h ILE 501 CO -0.43 0.25 0.26 0.22 0.03 0.00 0.00 178.15 178.48 1z8s h TYR 502 N 1.32 0.40 -0.10 0.16 3.20 -0.94 0.28 116.97 121.29 1z8s h TYR 502 Ca 0.35 0.05 -0.19 0.00 3.14 0.00 0.00 58.73 62.08 1z8s h TYR 502 Cb -0.13 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.09 1z8s h TYR 502 CO 0.00 -0.14 -0.71 0.00 -1.64 0.00 0.00 178.16 175.67 1z8s h ALA 503 N 1.72 0.57 -0.74 1.82 0.00 -1.00 -3.14 119.26 118.50 1z8s h ALA 503 Ca 0.52 -0.59 0.13 0.00 0.00 0.00 0.00 54.91 54.97 1z8s h ALA 503 Cb 1.00 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1z8s h ALA 503 CO -0.59 0.74 0.49 0.74 0.00 0.00 0.00 179.25 180.63 1z8s h PHE 504 N 0.34 0.53 -0.32 0.00 -1.00 -0.05 -0.84 116.94 115.60 1z8s h PHE 504 Ca -0.03 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 1z8s h PHE 504 Cb 1.29 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 40.66 1z8s h PHE 504 CO 0.05 0.22 0.12 1.88 -1.61 0.00 0.00 178.31 178.97 1z8s h TYR 505 N 0.47 0.49 -0.16 -0.55 0.05 -1.31 -1.83 116.97 114.13 1z8s h TYR 505 Ca 0.36 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 59.12 1z8s h TYR 505 Cb 0.73 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 1z8s h TYR 505 CO -0.00 0.47 0.11 0.93 -1.05 0.00 0.00 178.16 178.62 1z8s h GLU 506 N 0.36 0.09 0.00 4.88 4.39 -1.26 0.41 114.58 123.44 1z8s h GLU 506 Ca 0.10 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.72 1z8s h GLU 506 Cb 0.20 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1z8s h GLU 506 CO -0.01 0.06 -0.37 0.93 -1.16 0.00 0.00 179.01 178.46 1z8s h GLU 507 N 0.09 0.00 -5.39 2.33 5.08 -0.92 -3.49 114.58 112.28 1z8s h GLU 507 Ca 0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1z8s h GLU 507 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1z8s h GLU 507 CO -0.01 0.37 -0.23 0.41 -1.00 0.00 0.00 179.01 178.55 1z8s n GLY 508 N 0.85 -1.25 1.35 -3.84 0.00 0.13 -4.98 105.19 97.46 1z8s n GLY 508 Ca 0.02 0.78 -0.03 0.00 0.00 0.00 0.00 46.02 46.79 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 -1.23 -0.47 -1.48 1.61 1.44 -1.26 -5.10 115.22 108.74 1z8s n HIS 509 Ca 0.03 -0.54 0.11 0.00 -2.01 0.00 0.00 57.72 55.32 1z8s n HIS 509 Cb 0.49 0.69 -0.06 0.00 0.12 0.00 0.00 29.99 31.23 1z8s n HIS 509 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1z8s n GLU 510 N -0.35 -3.59 -2.94 -1.40 2.13 -1.26 -4.61 120.64 108.61 1z8s n GLU 510 Ca -0.12 2.89 -0.44 0.00 0.66 0.00 0.00 57.16 60.14 1z8s n GLU 510 Cb 0.58 -3.92 -0.03 0.00 0.27 0.00 0.00 31.44 28.34 1z8s n GLU 510 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1z8s s ALA 511 N -4.70 3.39 -0.31 4.31 0.00 -1.26 -4.91 121.76 118.27 1z8s s ALA 511 Ca 0.00 -2.75 -0.27 0.00 0.00 0.00 0.00 51.96 48.93 1z8s s ALA 511 Cb 0.00 -4.02 0.01 0.00 0.00 0.00 0.00 23.12 19.11 1z8s s ALA 511 CO 0.00 -2.94 0.98 0.34 0.00 0.00 0.00 175.76 174.13 1z8s s ASP 512 N 3.58 6.85 0.50 0.00 2.15 -1.26 -4.59 116.67 123.91 1z8s s ASP 512 Ca 0.32 0.94 0.22 0.00 0.43 0.00 0.00 52.55 54.46 1z8s s ASP 512 Cb -0.06 -2.50 1.32 0.00 -0.30 0.00 0.00 42.92 41.39 1z8s s ASP 512 CO -0.09 -0.78 2.07 1.55 -0.17 0.00 0.00 175.17 177.75 1z8s h PRO 513 N 8.06 0.00 0.03 4.34 0.13 -1.92 -1.27 132.00 141.36 1z8s h PRO 513 Ca -0.22 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.93 1z8s h PRO 513 Cb 1.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1z8s h PRO 513 CO 0.98 0.13 -0.14 0.78 -0.23 0.00 0.00 178.00 179.51 1z8s h GLY 514 N 0.58 -0.20 1.90 1.56 0.00 -1.91 1.00 103.07 106.00 1z8s h GLY 514 Ca -0.00 0.17 -0.20 0.00 0.00 0.00 0.00 47.33 47.29 1z8s h GLY 514 CO 0.02 -0.14 -1.00 0.00 0.00 0.00 0.00 176.54 175.42 1z8s h ALA 515 N 0.67 0.43 0.16 3.60 0.00 -1.89 -3.27 119.26 118.96 1z8s h ALA 515 Ca 0.04 -0.89 -0.01 0.00 0.00 0.00 0.00 54.91 54.05 1z8s h ALA 515 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1z8s h ALA 515 CO -0.12 1.19 -0.08 1.25 0.00 0.00 0.00 179.25 181.49 1z8s h LEU 516 N 0.00 -0.18 -2.01 0.00 6.46 -0.98 -3.33 115.31 115.27 1z8s h LEU 516 Ca -0.03 -0.15 0.12 0.00 -0.12 0.00 0.00 57.88 57.70 1z8s h LEU 516 Cb 1.74 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.70 1z8s h LEU 516 CO 0.12 0.35 0.31 0.40 -0.62 0.00 0.00 178.44 179.00 1z8s h ILE 517 N -1.02 0.75 -1.73 4.05 1.08 0.86 -2.91 117.51 118.60 1z8s h ILE 517 Ca -0.02 0.00 -0.78 0.00 -0.39 0.00 0.00 64.86 63.67 1z8s h ILE 517 Cb 0.32 0.78 -0.20 0.00 -3.07 0.00 0.00 36.82 34.65 1z8s h ILE 517 CO 0.04 0.00 1.71 -1.20 -0.69 0.00 0.00 178.15 178.00 1z8s n SER 518 N -4.35 7.61 0.00 1.72 7.64 -1.23 -4.21 113.62 120.79 1z8s n SER 518 Ca 0.07 -3.41 0.00 0.00 1.01 0.00 0.00 58.87 56.54 1z8s n SER 518 Cb 0.51 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1z8s n SER 518 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1z8s n ARG 519 N 0.92 0.00 -1.41 1.43 1.74 -1.10 -4.94 116.66 113.30 1z8s n ARG 519 Ca 0.54 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 57.26 1z8s n ARG 519 Cb 0.26 -0.48 0.09 0.00 -1.02 0.00 0.00 32.46 31.31 1z8s n ARG 519 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1z8s n ILE 520 N -1.36 3.18 0.09 0.55 -0.00 -1.26 -4.94 119.36 115.63 1z8s n ILE 520 Ca 0.00 -0.39 -0.15 0.00 -0.00 0.00 0.00 62.75 62.21 1z8s n ILE 520 Cb 0.00 -1.18 -0.08 0.00 -0.00 0.00 0.00 39.64 38.37 1z8s n ILE 520 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.55 175.90 1z8s h PRO 521 N -0.14 -0.65 0.00 0.38 0.11 -1.98 -3.44 132.00 126.28 1z8s h PRO 521 Ca -0.48 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1z8s h PRO 521 Cb 1.33 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.59 1z8s h PRO 521 CO 0.48 -0.44 0.00 0.41 -0.21 0.00 0.00 178.00 178.24 1z8s n GLY 522 N -1.47 -1.76 0.33 -0.55 0.00 -1.26 -4.94 105.19 95.54 1z8s n GLY 522 Ca -0.07 0.45 0.21 0.00 0.00 0.00 0.00 46.02 46.61 1z8s n GLY 522 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1z8s h GLU 523 N 0.00 0.35 0.00 1.61 4.11 -2.03 0.88 114.58 119.50 1z8s h GLU 523 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1z8s h GLU 523 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1z8s h GLU 523 CO 0.00 0.23 0.00 1.25 0.07 0.00 0.00 179.01 180.56 1z8s h LEU 524 N 0.36 0.00 0.85 3.06 6.46 -1.93 -2.72 115.31 121.39 1z8s h LEU 524 Ca 0.69 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 58.41 1z8s h LEU 524 Cb 1.50 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.44 1z8s h LEU 524 CO -0.58 0.00 -0.41 1.56 -0.62 0.00 0.00 178.44 178.39 1z8s h GLN 525 N 0.00 -1.10 -0.63 1.25 1.08 0.55 0.87 115.11 117.14 1z8s h GLN 525 Ca 0.00 0.08 -0.06 0.00 -1.45 0.00 0.00 58.65 57.21 1z8s h GLN 525 Cb 0.50 0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 28.15 1z8s h GLN 525 CO 0.00 -0.73 0.15 -1.00 -0.95 0.00 0.00 178.83 176.29 1z8s h PRO 526 N -1.22 1.01 0.60 1.46 0.13 -1.62 0.25 132.00 132.61 1z8s h PRO 526 Ca -0.12 -0.25 -0.03 0.00 -0.87 0.00 0.00 66.00 64.74 1z8s h PRO 526 Cb 0.88 -0.13 0.01 0.00 0.13 0.00 0.00 31.00 31.88 1z8s h PRO 526 CO 0.19 0.92 -0.29 1.25 -0.23 0.00 0.00 178.00 179.85 1z8s h LEU 527 N 0.93 -0.68 -0.19 1.56 5.85 -1.47 0.93 115.31 122.25 1z8s h LEU 527 Ca 0.20 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1z8s h LEU 527 Cb 0.37 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1z8s h LEU 527 CO 0.00 -0.44 0.12 0.00 -0.34 0.00 0.00 178.44 177.78 1z8s h ALA 528 N -0.50 0.24 -0.46 1.25 0.00 0.81 0.80 119.26 121.39 1z8s h ALA 528 Ca -0.08 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1z8s h ALA 528 Cb 0.64 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1z8s h ALA 528 CO 0.13 -0.27 0.13 1.03 0.00 0.00 0.00 179.25 180.28 1z8s h SER 529 N 0.23 0.10 0.61 0.00 0.87 -0.45 0.81 113.55 115.72 1z8s h SER 529 Ca 0.07 0.07 -0.13 0.00 -1.23 0.00 0.00 61.79 60.57 1z8s h SER 529 Cb 0.00 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1z8s h SER 529 CO -0.01 0.09 -0.61 -0.33 -0.53 0.00 0.00 176.83 175.44 1z8s h GLU 530 N 0.29 0.00 0.00 2.24 4.39 -0.54 -2.76 114.58 118.20 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 0.61 0.00 -0.07 -1.16 0.00 0.00 179.01 178.13 1z8s h LEU 531 N 0.00 0.00 -1.64 1.33 4.07 0.24 -3.20 115.31 116.11 1z8s h LEU 531 Ca -0.01 0.00 0.26 0.00 0.08 0.00 0.00 57.88 58.21 1z8s h LEU 531 Cb 1.07 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.78 1z8s h LEU 531 CO 0.08 0.00 0.87 -1.28 -1.08 0.00 0.00 178.44 177.03 1z8s h SER 532 N 0.00 0.00 -0.08 -0.43 0.87 -0.62 -2.77 113.55 110.52 1z8s h SER 532 Ca 0.00 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.33 1z8s h SER 532 Cb 0.44 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 62.23 1z8s h SER 532 CO 0.00 0.00 -0.41 -0.11 -0.53 0.00 0.00 176.83 175.78 1z8s n LEU 533 N -3.63 -1.61 -0.06 2.23 -0.00 -1.21 -4.65 117.00 108.07 1z8s n LEU 533 Ca 0.19 -3.46 -0.16 0.00 -0.00 0.00 0.00 56.01 52.58 1z8s n LEU 533 Cb 1.16 0.06 -0.05 0.00 -0.00 0.00 0.00 43.42 44.59 1z8s n LEU 533 CO 0.29 1.86 0.38 0.17 -0.00 0.00 0.00 177.39 180.09 1z8s h LEU 534 N 2.01 0.98 -5.33 -1.96 8.10 -1.49 -3.40 115.31 114.23 1z8s h LEU 534 Ca -0.28 -0.56 -0.32 0.00 0.11 0.00 0.00 57.88 56.83 1z8s h LEU 534 Cb 1.29 -0.28 -0.23 0.00 -0.44 0.00 0.00 40.66 41.00 1z8s h LEU 534 CO -0.03 1.36 -0.69 -0.11 -4.11 0.00 0.00 178.44 174.86 1z8s n LEU 535 N -3.99 -1.60 0.00 0.17 7.94 -1.26 -5.10 117.00 113.16 1z8s n LEU 535 Ca -0.05 -3.95 0.00 0.00 -1.11 0.00 0.00 56.01 50.89 1z8s n LEU 535 Cb 0.67 0.82 0.00 0.00 0.53 0.00 0.00 43.42 45.44 1z8s n LEU 535 CO 0.51 2.09 0.00 2.30 -1.11 0.00 0.00 177.39 181.18 1z8s n ILE 536 N 0.93 0.00 -3.46 1.96 -5.35 -1.26 -4.51 119.36 107.67 1z8s n ILE 536 Ca 0.13 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.58 1z8s n ILE 536 Cb 0.64 0.00 -0.00 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 -0.18 0.25 -1.28 0.00 -1.26 -4.83 120.51 110.22 1z8s n ALA 537 Ca 0.00 -0.29 0.16 0.00 0.00 0.00 0.00 53.44 53.30 1z8s n ALA 537 Cb 0.00 0.24 0.83 0.00 0.00 0.00 0.00 19.45 20.52 1z8s n ALA 537 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1z8s h ASP 538 N 0.39 0.00 0.00 0.00 5.19 -2.01 -1.49 116.42 118.50 1z8s h ASP 538 Ca -0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1z8s h ASP 538 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 1z8s h ASP 538 CO 0.08 0.00 -0.22 -0.67 -3.12 0.00 0.00 179.24 175.30 1z8s n ASP 539 N -2.63 0.99 -0.89 6.45 2.03 -1.26 -4.94 116.55 116.30 1z8s n ASP 539 Ca -0.02 -2.25 0.10 0.00 0.52 0.00 0.00 54.79 53.14 1z8s n ASP 539 Cb 0.13 -0.24 -0.06 0.00 -0.72 0.00 0.00 41.12 40.23 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 -0.54 -0.63 -2.84 5.18 0.31 -0.56 -4.53 118.33 114.72 1z8s n VAL 540 Ca 0.05 0.61 -0.44 0.00 -0.01 0.00 0.00 64.34 64.55 1z8s n VAL 540 Cb 0.61 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 1z8s n VAL 540 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1z8s n SER 541 N -3.41 5.41 -0.31 4.52 3.41 -1.26 -4.49 113.62 117.49 1z8s n SER 541 Ca -0.06 -3.09 0.12 0.00 -0.26 0.00 0.00 58.87 55.58 1z8s n SER 541 Cb 0.42 -1.47 0.29 0.00 -0.26 0.00 0.00 64.21 63.19 1z8s n SER 541 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1z8s h GLU 542 N 6.38 0.48 -0.34 4.33 4.11 -1.97 0.18 114.58 127.75 1z8s h GLU 542 Ca 0.30 -0.03 0.07 0.00 0.07 0.00 0.00 59.36 59.77 1z8s h GLU 542 Cb 0.76 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.84 1z8s h GLU 542 CO 1.34 0.32 -0.09 0.37 0.07 0.00 0.00 179.01 181.02 1z8s h GLN 543 N 0.50 -0.00 -0.37 1.06 4.15 -1.98 0.34 115.11 118.80 1z8s h GLN 543 Ca 0.54 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.91 1z8s h GLN 543 Cb 0.94 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.62 1z8s h GLN 543 CO -0.47 -0.00 0.04 0.93 -1.93 0.00 0.00 178.83 177.40 1z8s h GLU 544 N -0.00 0.55 -0.32 1.69 4.39 -1.43 -2.69 114.58 116.77 1z8s h GLU 544 Ca 0.16 -0.11 0.06 0.00 0.34 0.00 0.00 59.36 59.82 1z8s h GLU 544 Cb 0.25 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 28.76 1z8s h GLU 544 CO -0.35 0.55 -0.07 1.25 -1.16 0.00 0.00 179.01 179.22 1z8s h LEU 545 N 0.54 -0.29 -1.71 1.33 5.85 0.24 0.50 115.31 121.76 1z8s h LEU 545 Ca 0.12 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1z8s h LEU 545 Cb 0.29 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1z8s h LEU 545 CO 0.00 -0.10 0.20 1.05 -0.34 0.00 0.00 178.44 179.25 1z8s h GLU 546 N 0.01 0.38 -0.02 1.25 4.11 -0.82 0.12 114.58 119.61 1z8s h GLU 546 Ca 0.16 -0.02 -0.07 0.00 0.07 0.00 0.00 59.36 59.49 1z8s h GLU 546 Cb 0.23 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1z8s h GLU 546 CO -0.33 0.25 -0.32 -0.44 0.07 0.00 0.00 179.01 178.24 1z8s h ASP 547 N 0.40 0.03 0.32 3.06 5.19 0.12 -2.73 116.42 122.80 1z8s h ASP 547 Ca 0.11 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 1z8s h ASP 547 Cb -0.04 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.47 1z8s h ASP 547 CO -0.02 0.35 -0.15 1.88 -3.12 0.00 0.00 179.24 178.18 1z8s h TYR 548 N 0.03 -0.40 -0.73 4.55 -1.99 0.21 -2.25 116.97 116.39 1z8s h TYR 548 Ca 0.00 -0.01 0.12 0.00 2.00 0.00 0.00 58.73 60.84 1z8s h TYR 548 Cb 0.59 0.13 -0.08 0.00 2.00 0.00 0.00 36.73 39.37 1z8s h TYR 548 CO 0.00 -0.25 0.34 0.82 -0.00 0.00 0.00 178.16 179.07 1z8s h ILE 549 N -0.76 0.76 -0.65 -2.88 1.08 -1.55 0.58 117.51 114.09 1z8s h ILE 549 Ca -0.04 -0.18 -0.03 0.00 -0.39 0.00 0.00 64.86 64.21 1z8s h ILE 549 Cb 0.33 0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 34.23 1z8s h ILE 549 CO 0.07 0.10 0.27 0.08 -0.69 0.00 0.00 178.15 177.98 1z8s h ARG 550 N 0.54 0.95 0.20 2.37 -0.00 -1.59 0.51 114.38 117.35 1z8s h ARG 550 Ca 0.38 -0.15 -0.01 0.00 -0.00 0.00 0.00 59.98 60.20 1z8s h ARG 550 Cb 0.49 -0.17 0.00 0.00 -0.00 0.00 0.00 29.97 30.29 1z8s h ARG 550 CO -0.33 0.77 -0.10 0.45 -0.00 0.00 0.00 179.97 180.77 1z8s h HIS 551 N 0.94 -0.25 -0.26 4.08 3.86 -0.38 -3.17 115.15 119.97 1z8s h HIS 551 Ca 0.22 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.45 1z8s h HIS 551 Cb 0.17 0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 1z8s h HIS 551 CO 0.01 0.15 0.10 0.28 0.86 0.00 0.00 177.93 179.33 1z8s h VAL 552 N -0.88 0.95 -0.07 2.45 2.07 0.10 -3.10 116.25 117.76 1z8s h VAL 552 Ca -0.03 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.45 1z8s h VAL 552 Cb 0.51 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1z8s h VAL 552 CO 0.04 0.04 -0.38 0.25 0.02 0.00 0.00 177.57 177.55 1z8s h LEU 553 N 0.23 -1.16 0.00 2.57 5.85 -1.02 -3.47 115.31 118.31 1z8s h LEU 553 Ca 0.11 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1z8s h LEU 553 Cb 0.07 0.47 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1z8s h LEU 553 CO -0.11 -0.41 0.00 0.59 -0.34 0.00 0.00 178.44 178.17 1z8s n ASN 554 N -5.43 0.00 0.46 1.25 5.03 -1.17 -4.88 115.26 110.52 1z8s n ASN 554 Ca -0.04 0.00 -0.18 0.00 0.87 0.00 0.00 54.58 55.22 1z8s n ASN 554 Cb 0.35 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.02 1z8s n ASN 554 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 1z8s h ARG 555 N 0.00 -1.14 -5.92 3.52 2.47 -1.84 -3.40 114.38 108.07 1z8s h ARG 555 Ca 0.00 0.08 -0.55 0.00 -1.26 0.00 0.00 59.98 58.25 1z8s h ARG 555 Cb 0.00 0.26 0.23 0.00 -1.65 0.00 0.00 29.97 28.81 1z8s h ARG 555 CO 0.00 -0.76 -1.80 -2.30 0.56 0.00 0.00 179.97 175.67 1z8s n PRO 556 N -5.51 0.00 -1.43 0.04 -0.01 -1.26 -4.90 135.00 121.93 1z8s n PRO 556 Ca -0.15 0.00 -0.23 0.00 -0.01 0.00 0.00 63.50 63.12 1z8s n PRO 556 Cb 0.47 -0.99 0.10 0.00 -0.01 0.00 0.00 33.50 33.07 1z8s n PRO 556 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12 1z8s n LYS 557 N 2.40 2.76 0.21 -0.52 4.76 -1.26 -4.73 118.16 121.78 1z8s n LYS 557 Ca -0.01 -3.56 -0.15 0.00 -2.87 0.00 0.00 58.31 51.72 1z8s n LYS 557 Cb 0.55 -2.16 -0.08 0.00 -1.84 0.00 0.00 35.03 31.50 1z8s n LYS 557 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 1z8s h TRP 558 N 1.74 -0.46 0.00 2.13 7.01 -1.94 -2.44 115.95 121.99 1z8s h TRP 558 Ca 0.43 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.40 1z8s h TRP 558 Cb 1.42 0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 28.63 1z8s h TRP 558 CO 1.15 -0.22 -0.08 -0.07 -2.79 0.00 0.00 178.44 176.42 1z8s h LEU 559 N -0.62 0.00 -0.39 0.65 -0.00 -1.91 -1.93 115.31 111.11 1z8s h LEU 559 Ca -0.05 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.84 1z8s h LEU 559 Cb 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.09 1z8s h LEU 559 CO 0.08 0.08 0.24 -0.03 -0.00 0.00 0.00 178.44 178.82 1z8s h MET 560 N 0.00 0.48 -0.25 1.13 4.05 -1.75 -1.10 114.93 117.49 1z8s h MET 560 Ca -0.00 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.32 1z8s h MET 560 Cb 0.18 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 1z8s h MET 560 CO 0.01 0.32 -0.16 1.25 0.23 0.00 0.00 176.91 178.55 1z8s h LEU 561 N 0.50 0.42 -0.45 3.39 7.12 -0.95 -1.12 115.31 124.22 1z8s h LEU 561 Ca 0.15 -0.11 0.02 0.00 0.13 0.00 0.00 57.88 58.06 1z8s h LEU 561 Cb -0.03 -0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 39.96 1z8s h LEU 561 CO -0.05 0.61 0.27 0.50 -0.13 0.00 0.00 178.44 179.63 1z8s h LYS 562 N 0.39 0.52 -0.92 1.25 3.11 -0.91 1.20 116.57 121.22 1z8s h LYS 562 Ca 0.07 -0.03 0.03 0.00 -2.81 0.00 0.00 60.65 57.91 1z8s h LYS 562 Cb 0.52 -0.12 -0.05 0.00 -1.00 0.00 0.00 32.23 31.58 1z8s h LYS 562 CO 0.03 0.34 0.60 0.28 -2.81 0.00 0.00 179.45 177.90 1z8s h VAL 563 N 0.54 1.16 -0.51 2.00 2.07 -0.69 0.27 116.25 121.08 1z8s h VAL 563 Ca 0.18 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 1z8s h VAL 563 Cb 0.01 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.65 1z8s h VAL 563 CO -0.08 0.21 0.05 0.11 0.02 0.00 0.00 177.57 177.88 1z8s h LYS 564 N 1.17 0.83 -0.78 1.57 1.57 0.27 -2.58 116.57 118.63 1z8s h LYS 564 Ca 0.36 -0.21 0.14 0.00 -1.87 0.00 0.00 60.65 59.08 1z8s h LYS 564 Cb -0.01 -0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.10 1z8s h LYS 564 CO -0.12 0.80 0.34 1.49 -0.57 0.00 0.00 179.45 181.40 1z8s h GLU 565 N 0.78 0.48 0.06 3.15 4.81 0.35 1.09 114.58 125.30 1z8s h GLU 565 Ca 0.16 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1z8s h GLU 565 Cb 0.41 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1z8s h GLU 565 CO 0.01 0.32 -0.03 1.96 -0.73 0.00 0.00 179.01 180.54 1z8s h GLN 566 N 0.49 -0.08 0.02 1.92 4.20 -1.12 -2.04 115.11 118.50 1z8s h GLN 566 Ca 0.42 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.14 1z8s h GLN 566 Cb 0.63 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1z8s h GLN 566 CO -0.39 0.46 -0.01 0.93 -0.67 0.00 0.00 178.83 179.15 1z8s h GLU 567 N -0.68 -0.03 -0.97 1.46 5.08 -1.15 -2.46 114.58 115.82 1z8s h GLU 567 Ca -0.01 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1z8s h GLU 567 Cb 0.58 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.76 1z8s h GLU 567 CO 0.01 0.51 0.61 0.87 -1.00 0.00 0.00 179.01 180.01 1z8s h LYS 568 N -0.58 1.00 -0.71 2.33 1.79 0.11 0.17 116.57 120.68 1z8s h LYS 568 Ca -0.00 -0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.41 1z8s h LYS 568 Cb 0.55 -0.23 -0.04 0.00 -1.58 0.00 0.00 32.23 30.94 1z8s h LYS 568 CO 0.00 0.66 0.47 1.15 -1.08 0.00 0.00 179.45 180.65 1z8s h THR 569 N 1.03 1.18 -0.97 -0.16 2.02 -1.35 -0.84 112.91 113.82 1z8s h THR 569 Ca 0.45 -0.33 0.19 0.00 0.77 0.00 0.00 66.41 67.49 1z8s h THR 569 Cb 0.34 0.14 -0.11 0.00 -1.74 0.00 0.00 68.15 66.78 1z8s h THR 569 CO -0.23 0.18 0.57 -0.33 0.37 0.00 0.00 175.52 176.08 1z8s h GLU 570 N 0.96 0.69 0.00 6.66 5.08 -0.47 0.83 114.58 128.32 1z8s h GLU 570 Ca 0.26 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 1z8s h GLU 570 Cb -0.11 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 1z8s h GLU 570 CO -0.06 0.46 -0.57 0.00 -1.00 0.00 0.00 179.01 177.84 1z8s h ALA 571 N 1.64 1.03 -0.52 3.43 0.00 -0.84 -1.57 119.26 122.43 1z8s h ALA 571 Ca 0.56 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1z8s h ALA 571 Cb 0.89 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1z8s h ALA 571 CO -0.39 0.72 0.32 0.93 0.00 0.00 0.00 179.25 180.82 1z8s h GLU 572 N 0.00 0.62 0.03 0.00 3.07 0.20 1.92 114.58 120.41 1z8s h GLU 572 Ca -0.01 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 58.68 1z8s h GLU 572 Cb 1.03 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 28.81 1z8s h GLU 572 CO 0.07 0.41 -0.56 0.07 -1.40 0.00 0.00 179.01 177.61 1z8s h ARG 573 N 0.64 0.33 0.00 2.33 0.11 -1.22 -3.41 114.38 113.16 1z8s h ARG 573 Ca 0.21 -0.39 -0.01 0.00 0.10 0.00 0.00 59.98 59.88 1z8s h ARG 573 Cb -0.00 0.12 -0.00 0.00 1.11 0.00 0.00 29.97 31.20 1z8s h ARG 573 CO -0.08 1.09 -1.06 0.54 0.10 0.00 0.00 179.97 180.56 1z8s n ARG 574 N -4.27 2.74 -0.30 0.08 5.12 -0.60 -5.13 116.66 114.30 1z8s n ARG 574 Ca -0.11 -0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.85 1z8s n ARG 574 Cb 0.66 -1.02 -0.01 0.00 -1.16 0.00 0.00 32.46 30.92 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 -1.89 -0.65 0.06 5.56 5.02 0.65 -4.60 118.16 122.31 1z8s n LYS 575 Ca -0.01 0.49 -0.13 0.00 -2.02 0.00 0.00 58.31 56.64 1z8s n LYS 575 Cb 0.38 -0.78 -0.08 0.00 -0.02 0.00 0.00 35.03 34.54 1z8s n LYS 575 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1z8s h ASP 576 N -0.29 -0.08 0.00 4.39 2.03 -1.81 -3.44 116.42 117.23 1z8s h ASP 576 Ca -0.02 -0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.16 1z8s h ASP 576 Cb 0.28 0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.80 1z8s h ASP 576 CO 0.01 0.08 0.00 0.33 -1.03 0.00 0.00 179.24 178.63 1z8s n PHE 577 N -5.06 0.00 -0.02 4.15 7.35 -1.26 -4.98 117.46 117.64 1z8s n PHE 577 Ca -0.08 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.40 1z8s n PHE 577 Cb 0.12 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 39.82 1z8s n PHE 577 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1z8s n LEU 578 N 0.00 2.57 -3.64 -2.13 4.77 -1.26 -5.03 117.00 112.27 1z8s n LEU 578 Ca 0.00 0.21 -0.03 0.00 -0.03 0.00 0.00 56.01 56.16 1z8s n LEU 578 Cb 0.00 -1.09 -0.06 0.00 -2.33 0.00 0.00 43.42 39.95 1z8s n LEU 578 CO 0.00 0.79 1.14 0.42 -1.33 0.00 0.00 177.39 178.41 1z8s s THR 579 N -2.53 0.00 -1.02 -5.08 -4.23 -1.26 -5.00 115.64 96.51 1z8s s THR 579 Ca -0.24 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.31 1z8s s THR 579 Cb 0.07 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.95 1z8s s THR 579 CO 0.73 0.00 1.13 0.00 -0.54 0.00 0.00 174.62 175.95 1z8s n ALA 580 N 1.05 1.21 -0.20 3.99 0.00 -1.26 -3.06 120.51 122.25 1z8s n ALA 580 Ca -0.05 -0.02 0.30 0.00 0.00 0.00 0.00 53.44 53.67 1z8s n ALA 580 Cb 0.58 -1.07 0.73 0.00 0.00 0.00 0.00 19.45 19.69 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 2.88 0.33 0.00 0.00 -1.94 0.32 119.26 123.01 1z8s h ALA 581 Ca 0.00 -0.03 -0.02 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 -1.16 -0.16 0.00 0.00 0.00 0.00 179.25 177.93 1z8s h ARG 582 N 0.00 -0.43 -0.26 0.00 3.08 -1.98 -0.43 114.38 114.36 1z8s h ARG 582 Ca 0.44 0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.43 1z8s h ARG 582 Cb 1.80 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.94 1z8s h ARG 582 CO -0.00 -0.15 -0.25 0.82 -1.07 0.00 0.00 179.97 179.32 1z8s h ILE 583 N -0.69 1.27 -1.00 2.04 2.04 -1.46 -2.37 117.51 117.33 1z8s h ILE 583 Ca -0.05 -1.27 0.05 0.00 1.00 0.00 0.00 64.86 64.60 1z8s h ILE 583 Cb 0.48 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 1z8s h ILE 583 CO 0.07 0.40 0.65 0.00 0.00 0.00 0.00 178.15 179.28 1z8s h ALA 584 N 1.30 1.37 -0.39 1.87 0.00 -0.30 0.10 119.26 123.22 1z8s h ALA 584 Ca 0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1z8s h ALA 584 Cb 0.67 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1z8s h ALA 584 CO 0.05 0.49 -0.03 0.87 0.00 0.00 0.00 179.25 180.63 1z8s h LYS 585 N 1.22 0.63 -0.20 0.00 1.79 -0.58 -2.80 116.57 116.64 1z8s h LYS 585 Ca 0.42 -0.16 0.04 0.00 -2.18 0.00 0.00 60.65 58.77 1z8s h LYS 585 Cb 0.10 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.63 1z8s h LYS 585 CO -0.15 0.67 -0.06 0.93 -1.08 0.00 0.00 179.45 179.76 1z8s h GLU 586 N 0.60 -0.01 -0.21 3.15 4.39 -0.37 0.24 114.58 122.37 1z8s h GLU 586 Ca 0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 1z8s h GLU 586 Cb 0.42 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1z8s h GLU 586 CO 0.02 -0.01 0.11 0.00 -1.16 0.00 0.00 179.01 177.98 1z8s h MET 587 N -0.01 0.29 -0.76 2.33 -0.00 -1.33 0.11 114.93 115.57 1z8s h MET 587 Ca 0.10 -0.03 0.22 0.00 -0.00 0.00 0.00 59.70 59.98 1z8s h MET 587 Cb 0.16 -0.06 -0.03 0.00 -0.00 0.00 0.00 31.60 31.67 1z8s h MET 587 CO -0.21 0.28 0.56 0.82 -0.00 0.00 0.00 176.91 178.35 1z8s h ILE 588 N 0.23 0.58 -0.20 -0.10 2.04 -1.17 0.87 117.51 119.77 1z8s h ILE 588 Ca 0.07 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.76 1z8s h ILE 588 Cb 0.07 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1z8s h ILE 588 CO -0.01 0.00 -0.57 -0.33 0.00 0.00 0.00 178.15 177.24 1z8s h GLU 589 N 0.00 0.73 -0.39 2.37 4.39 0.18 -2.58 114.58 119.28 1z8s h GLU 589 Ca 0.36 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1z8s h GLU 589 Cb 1.48 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.19 1z8s h GLU 589 CO -0.00 1.15 0.25 1.98 -1.16 0.00 0.00 179.01 181.23 1z8s h MET 590 N 0.45 0.52 -0.67 2.33 4.05 0.26 0.41 114.93 122.28 1z8s h MET 590 Ca -0.02 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.31 1z8s h MET 590 Cb 1.19 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.84 1z8s h MET 590 CO 0.12 0.35 0.18 0.87 0.23 0.00 0.00 176.91 178.66 1z8s h LYS 591 N 0.53 1.05 -0.09 0.39 1.57 -0.78 -2.06 116.57 117.18 1z8s h LYS 591 Ca 0.14 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 1z8s h LYS 591 Cb -0.05 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1z8s h LYS 591 CO -0.03 0.92 -0.39 -0.22 -0.57 0.00 0.00 179.45 179.15 1z8s h LYS 592 N 1.00 0.19 0.17 3.15 1.63 -0.60 0.13 116.57 122.25 1z8s h LYS 592 Ca 0.21 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 1z8s h LYS 592 Cb 0.33 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1z8s h LYS 592 CO -0.00 0.56 -0.08 0.52 -3.45 0.00 0.00 179.45 177.00 1z8s h MET 593 N 0.16 -0.22 0.00 1.90 2.86 -0.42 -3.10 114.93 116.11 1z8s h MET 593 Ca 0.02 0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 1z8s h MET 593 Cb 0.77 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1z8s h MET 593 CO 0.06 -0.01 -0.35 1.37 1.06 0.00 0.00 176.91 179.04 1z8s h LEU 594 N -0.41 0.00 0.00 1.22 8.10 -1.46 -3.49 115.31 119.27 1z8s h LEU 594 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.97 1z8s h LEU 594 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.54 1z8s h LEU 594 CO 0.04 0.35 0.00 -1.20 -4.11 0.00 0.00 178.44 173.52 1z8s n SER 595 N -3.20 -3.21 -4.90 0.17 7.64 0.43 -4.78 113.62 105.77 1z8s n SER 595 Ca 0.02 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.62 1z8s n SER 595 Cb 0.67 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.93 1z8s n SER 595 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1z8s s SER 596 N -4.00 5.09 0.00 6.43 1.04 -1.26 -4.98 113.70 116.03 1z8s s SER 596 Ca 0.00 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.28 1z8s s SER 596 Cb 0.00 -1.57 0.00 0.00 0.10 0.00 0.00 66.02 64.55 1z8s s SER 596 CO 0.00 -1.50 0.00 -1.54 0.98 0.00 0.00 173.24 171.18