#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 0.39 -1.25 -5.12 0.00 -2.14 -3.45 119.26 107.69 1z8s h ALA 453 Ca 0.00 -0.27 -0.46 0.00 0.00 0.00 0.00 54.91 54.17 1z8s h ALA 453 Cb 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 17.79 17.74 1z8s h ALA 453 CO 0.00 0.20 -0.02 0.15 0.00 0.00 0.00 179.25 179.58 1z8s s LYS 454 N -4.79 2.13 -0.29 0.00 -0.14 -1.26 -5.11 119.74 110.28 1z8s s LYS 454 Ca -0.13 -1.24 -0.00 0.00 -1.36 0.00 0.00 55.97 53.23 1z8s s LYS 454 Cb 0.08 -2.50 0.14 0.00 -1.68 0.00 0.00 37.83 33.86 1z8s s LYS 454 CO 0.77 -1.02 0.29 0.15 -0.76 0.00 0.00 175.35 174.78 1z8s s LYS 455 N -4.85 0.33 -0.64 1.68 1.02 -1.26 -5.10 119.74 110.92 1z8s s LYS 455 Ca 0.62 -0.18 -0.13 0.00 0.02 0.00 0.00 55.97 56.30 1z8s s LYS 455 Cb -0.07 -0.68 0.16 0.00 -0.52 0.00 0.00 37.83 36.73 1z8s s LYS 455 CO 0.40 -1.04 0.56 -0.48 -0.92 0.00 0.00 175.35 173.88 1z8s s LEU 456 N 2.32 6.22 -0.20 3.17 2.34 -1.26 -5.03 118.68 126.24 1z8s s LEU 456 Ca 0.10 -2.26 0.01 0.00 0.06 0.00 0.00 54.13 52.04 1z8s s LEU 456 Cb -0.14 -2.14 0.04 0.00 -0.56 0.00 0.00 46.19 43.39 1z8s s LEU 456 CO -0.32 -0.67 -0.11 -0.76 -1.06 0.00 0.00 176.35 173.43 1z8s s LEU 457 N 0.85 2.27 -0.08 1.48 1.43 -1.26 -5.00 118.68 118.37 1z8s s LEU 457 Ca 0.10 -0.87 0.04 0.00 -1.03 0.00 0.00 54.13 52.38 1z8s s LEU 457 Cb -0.21 -1.24 0.25 0.00 0.03 0.00 0.00 46.19 45.02 1z8s s LEU 457 CO -0.03 -0.14 0.91 -0.81 0.23 0.00 0.00 176.35 176.52 1z8s n PRO 458 N 4.68 2.15 -3.77 1.29 -0.04 -1.26 -4.77 135.00 133.28 1z8s n PRO 458 Ca -0.15 -0.97 -0.18 0.00 -0.04 0.00 0.00 63.50 62.16 1z8s n PRO 458 Cb 0.47 -1.71 -0.17 0.00 -0.04 0.00 0.00 33.50 32.04 1z8s n PRO 458 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1z8s s ALA 459 N -1.51 0.27 -0.59 0.55 0.00 -1.26 -4.87 121.76 114.36 1z8s s ALA 459 Ca 0.17 0.17 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 1z8s s ALA 459 Cb 0.13 -0.46 0.34 0.00 0.00 0.00 0.00 23.12 23.13 1z8s s ALA 459 CO 0.05 -0.28 2.09 1.19 0.00 0.00 0.00 175.76 178.81 1z8s n PHE 460 N 4.70 2.63 0.02 0.00 3.01 -1.26 -4.65 117.46 121.91 1z8s n PHE 460 Ca -0.16 -2.57 0.22 0.00 1.01 0.00 0.00 57.45 55.95 1z8s n PHE 460 Cb 0.50 -1.29 0.72 0.00 -0.01 0.00 0.00 39.48 39.41 1z8s n PHE 460 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1z8s h GLN 461 N 2.08 0.00 -0.13 -1.08 -0.00 -1.96 0.06 115.11 114.08 1z8s h GLN 461 Ca 0.50 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 59.11 1z8s h GLN 461 Cb 0.72 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.20 1z8s h GLN 461 CO 1.30 0.00 -0.07 -0.97 0.00 0.00 0.00 178.83 179.09 1z8s h ASN 462 N 0.00 0.29 0.53 -0.69 -1.24 -1.98 -1.63 115.58 110.86 1z8s h ASN 462 Ca 0.26 -0.43 -0.03 0.00 0.71 0.00 0.00 56.30 56.81 1z8s h ASN 462 Cb 1.29 -0.08 0.01 0.00 0.73 0.00 0.00 38.32 40.27 1z8s h ASN 462 CO -0.00 0.65 -0.26 0.00 -1.29 0.00 0.00 177.43 176.53 1z8s h ALA 463 N 0.65 -0.72 -0.43 1.57 0.00 -1.38 -2.44 119.26 116.51 1z8s h ALA 463 Ca 0.03 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1z8s h ALA 463 Cb 0.55 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1z8s h ALA 463 CO 0.02 -0.90 0.29 1.05 0.00 0.00 0.00 179.25 179.72 1z8s h GLU 464 N -0.73 0.27 0.38 0.00 9.09 -1.54 -2.29 114.58 119.76 1z8s h GLU 464 Ca -0.07 -0.02 -0.01 0.00 0.05 0.00 0.00 59.36 59.31 1z8s h GLU 464 Cb 0.56 -0.06 -0.00 0.00 -1.65 0.00 0.00 28.75 27.59 1z8s h GLU 464 CO 0.12 0.18 -0.23 -0.09 0.05 0.00 0.00 179.01 179.03 1z8s h ARG 465 N 0.27 -0.57 -0.43 1.06 2.43 -0.83 0.20 114.38 116.51 1z8s h ARG 465 Ca 0.19 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.49 1z8s h ARG 465 Cb 0.41 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1z8s h ARG 465 CO -0.04 -0.38 0.30 -0.07 -1.51 0.00 0.00 179.97 178.27 1z8s h LEU 466 N -0.59 0.16 -0.91 3.80 3.38 -1.02 0.64 115.31 120.77 1z8s h LEU 466 Ca -0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1z8s h LEU 466 Cb 0.49 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1z8s h LEU 466 CO 0.04 0.10 0.04 0.25 0.09 0.00 0.00 178.44 178.97 1z8s h LEU 467 N 0.18 0.81 -0.89 1.67 6.46 -0.82 -1.03 115.31 121.69 1z8s h LEU 467 Ca 0.20 -0.18 0.20 0.00 -0.12 0.00 0.00 57.88 57.98 1z8s h LEU 467 Cb 0.56 -0.21 -0.12 0.00 -0.73 0.00 0.00 40.66 40.16 1z8s h LEU 467 CO -0.03 0.85 0.41 -0.07 -0.62 0.00 0.00 178.44 178.98 1z8s h LEU 468 N 0.80 0.40 -0.59 2.25 4.07 0.23 1.12 115.31 123.59 1z8s h LEU 468 Ca 0.16 0.14 0.03 0.00 0.08 0.00 0.00 57.88 58.29 1z8s h LEU 468 Cb 0.42 0.10 -0.04 0.00 1.08 0.00 0.00 40.66 42.21 1z8s h LEU 468 CO 0.01 0.06 0.35 0.00 -1.08 0.00 0.00 178.44 177.78 1z8s h ALA 469 N 1.67 0.76 0.46 1.53 0.00 -0.88 0.72 119.26 123.52 1z8s h ALA 469 Ca 0.54 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 1z8s h ALA 469 Cb 0.96 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1z8s h ALA 469 CO -0.48 0.06 -0.22 0.45 0.00 0.00 0.00 179.25 179.05 1z8s h HIS 470 N 0.67 -0.57 -0.14 0.00 3.86 0.12 -3.24 115.15 115.85 1z8s h HIS 470 Ca 0.24 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1z8s h HIS 470 Cb 0.06 0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1z8s h HIS 470 CO -0.07 -0.25 0.05 0.00 0.86 0.00 0.00 177.93 178.52 1z8s h MET 471 N -1.00 0.19 0.00 2.45 3.00 0.52 -3.20 114.93 116.89 1z8s h MET 471 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 59.70 59.62 1z8s h MET 471 Cb 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 31.60 32.14 1z8s h MET 471 CO 0.10 0.17 0.57 -0.12 0.00 0.00 0.00 176.91 177.64 1z8s n MET 472 N -4.46 0.01 -0.74 -0.10 1.56 0.25 -1.87 117.12 111.76 1z8s n MET 472 Ca -0.01 0.23 -0.04 0.00 -0.27 0.00 0.00 57.70 57.62 1z8s n MET 472 Cb 0.12 -2.10 -0.04 0.00 2.15 0.00 0.00 33.22 33.35 1z8s n MET 472 CO 0.00 0.00 0.00 2.89 -0.73 0.00 0.00 175.97 178.13 1z8s n ARG 473 N -1.36 0.00 -3.81 2.12 1.85 -1.21 -3.29 116.66 110.96 1z8s n ARG 473 Ca -0.00 -0.51 -0.27 0.00 -1.00 0.00 0.00 57.85 56.07 1z8s n ARG 473 Cb 0.57 0.27 -0.17 0.00 -1.05 0.00 0.00 32.46 32.09 1z8s n ARG 473 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1z8s s SER 474 N -0.51 2.64 0.42 2.89 0.15 -0.78 -4.64 113.70 113.86 1z8s s SER 474 Ca 0.00 -0.62 0.10 0.00 0.70 0.00 0.00 55.95 56.13 1z8s s SER 474 Cb 0.00 -0.71 0.94 0.00 -1.71 0.00 0.00 66.02 64.54 1z8s s SER 474 CO 0.00 -0.23 2.04 0.08 1.20 0.00 0.00 173.24 176.32 1z8s h ARG 475 N 8.20 0.47 0.06 5.44 0.11 -1.90 0.81 114.38 127.56 1z8s h ARG 475 Ca -0.20 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 59.85 1z8s h ARG 475 Cb 1.12 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.09 1z8s h ARG 475 CO 0.35 0.31 -0.03 -0.44 0.10 0.00 0.00 179.97 180.26 1z8s h ASP 476 N 0.48 -0.06 0.08 0.08 3.32 -1.96 -2.55 116.42 115.81 1z8s h ASP 476 Ca 0.19 -0.47 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 1z8s h ASP 476 Cb 0.14 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1z8s h ASP 476 CO -0.05 0.46 -0.04 0.58 -1.72 0.00 0.00 179.24 178.48 1z8s h VAL 477 N -0.61 1.13 -0.94 -1.35 2.07 -1.79 -2.56 116.25 112.18 1z8s h VAL 477 Ca -0.01 -0.80 0.20 0.00 0.82 0.00 0.00 66.70 66.91 1z8s h VAL 477 Cb 0.53 1.64 -0.08 0.00 -1.52 0.00 0.00 31.29 31.86 1z8s h VAL 477 CO 0.01 0.20 0.61 0.00 0.02 0.00 0.00 177.57 178.40 1z8s h ALA 478 N 0.39 2.02 -0.59 1.67 0.00 0.52 0.31 119.26 123.58 1z8s h ALA 478 Ca -0.01 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1z8s h ALA 478 Cb 0.41 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1z8s h ALA 478 CO 0.02 -0.33 -0.01 1.37 0.00 0.00 0.00 179.25 180.30 1z8s h LEU 479 N 0.54 1.01 -1.75 0.00 8.10 -1.32 -2.18 115.31 119.71 1z8s h LEU 479 Ca 0.50 -0.29 0.03 0.00 0.11 0.00 0.00 57.88 58.24 1z8s h LEU 479 Cb 1.06 -0.27 -0.02 0.00 -0.44 0.00 0.00 40.66 40.99 1z8s h LEU 479 CO -0.24 1.07 0.23 0.58 -4.11 0.00 0.00 178.44 175.96 1z8s h VAL 480 N 0.94 1.01 0.22 0.15 2.07 0.01 0.59 116.25 121.24 1z8s h VAL 480 Ca 0.17 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1z8s h VAL 480 Cb 0.55 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1z8s h VAL 480 CO 0.03 0.06 -0.11 0.58 0.02 0.00 0.00 177.57 178.15 1z8s h VAL 481 N 0.33 0.77 -0.28 2.57 2.07 -0.74 -1.33 116.25 119.64 1z8s h VAL 481 Ca 0.14 -0.91 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 1z8s h VAL 481 Cb 0.15 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1z8s h VAL 481 CO -0.03 0.17 -0.18 -0.61 0.02 0.00 0.00 177.57 176.94 1z8s h GLN 482 N -0.82 0.51 0.07 1.57 5.75 -1.21 0.16 115.11 121.13 1z8s h GLN 482 Ca -0.03 -0.17 -0.12 0.00 -0.15 0.00 0.00 58.65 58.18 1z8s h GLN 482 Cb 0.51 -0.04 0.01 0.00 1.07 0.00 0.00 27.48 29.03 1z8s h GLN 482 CO 0.05 0.67 -0.51 1.49 -2.65 0.00 0.00 178.83 177.88 1z8s h GLU 483 N 0.46 0.22 0.00 1.69 4.81 -0.97 -3.43 114.58 117.36 1z8s h GLU 483 Ca 0.08 -0.33 -0.32 0.00 -0.13 0.00 0.00 59.36 58.65 1z8s h GLU 483 Cb 0.58 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.03 1z8s h GLU 483 CO 0.04 1.12 -2.04 0.54 -0.73 0.00 0.00 179.01 177.94 1z8s n ARG 484 N -4.31 0.51 -1.63 1.92 1.74 -0.51 -5.00 116.66 109.37 1z8s n ARG 484 Ca -0.12 0.22 -0.38 0.00 -0.77 0.00 0.00 57.85 56.81 1z8s n ARG 484 Cb 0.67 -1.36 0.06 0.00 -1.02 0.00 0.00 32.46 30.81 1z8s n ARG 484 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1z8s n ILE 485 N -4.16 3.87 0.00 0.55 5.41 0.56 -4.87 119.36 120.72 1z8s n ILE 485 Ca -0.40 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 62.85 1z8s n ILE 485 Cb 0.76 -1.18 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 1z8s n ILE 485 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1z8s n GLY 486 N 1.26 -0.38 7.00 7.39 0.00 -1.26 -4.60 105.19 114.59 1z8s n GLY 486 Ca 0.14 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 1.65 3.68 -0.02 0.00 -1.26 -4.82 105.19 104.43 1z8s n GLY 487 Ca 0.00 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 2.10 0.34 1.61 3.52 -1.26 -5.16 118.95 120.10 1z8s s ARG 488 Ca 0.00 -1.97 0.07 0.00 -0.13 0.00 0.00 55.73 53.70 1z8s s ARG 488 Cb 0.00 -1.82 -0.03 0.00 -1.56 0.00 0.00 34.95 31.54 1z8s s ARG 488 CO 0.00 -0.09 0.26 -0.06 -0.81 0.00 0.00 175.30 174.60 1z8s s PHE 489 N -2.65 1.75 -0.22 5.12 0.40 -1.26 -4.57 117.98 116.54 1z8s s PHE 489 Ca 0.38 -1.62 -0.03 0.00 -0.60 0.00 0.00 56.93 55.06 1z8s s PHE 489 Cb 0.07 -0.77 -0.13 0.00 0.51 0.00 0.00 43.02 42.70 1z8s s PHE 489 CO 0.20 -0.80 -0.23 -1.71 0.70 0.00 0.00 175.22 173.38 1z8s n ASN 490 N -1.50 2.08 -4.74 1.36 2.85 -1.26 -4.98 115.26 109.07 1z8s n ASN 490 Ca 0.06 0.02 -0.36 0.00 -0.11 0.00 0.00 54.58 54.20 1z8s n ASN 490 Cb 0.63 -0.46 -0.08 0.00 1.24 0.00 0.00 39.78 41.10 1z8s n ASN 490 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1z8s s ILE 491 N -2.43 4.68 0.30 -1.44 1.01 -1.26 -5.01 121.20 117.05 1z8s s ILE 491 Ca -0.30 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.28 1z8s s ILE 491 Cb 0.09 -2.99 0.08 0.00 0.01 0.00 0.00 42.46 39.65 1z8s s ILE 491 CO 0.47 0.61 1.75 -0.08 0.00 0.00 0.00 174.94 177.69 1z8s h GLU 492 N 5.11 0.39 0.22 2.79 4.22 -1.99 -2.99 114.58 122.33 1z8s h GLU 492 Ca -0.52 -0.14 -0.01 0.00 0.08 0.00 0.00 59.36 58.77 1z8s h GLU 492 Cb 1.20 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1z8s h GLU 492 CO 0.55 0.63 -0.11 0.93 -2.18 0.00 0.00 179.01 178.84 1z8s h GLU 493 N 0.35 -0.28 -0.07 1.92 4.39 -1.97 -1.44 114.58 117.47 1z8s h GLU 493 Ca 0.05 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.80 1z8s h GLU 493 Cb 0.64 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.30 1z8s h GLU 493 CO 0.05 0.01 -0.48 0.45 -1.16 0.00 0.00 179.01 177.88 1z8s h HIS 494 N -0.57 -1.38 -0.39 4.33 3.86 -1.95 0.52 115.15 119.56 1z8s h HIS 494 Ca -0.03 0.05 0.11 0.00 -1.16 0.00 0.00 60.37 59.34 1z8s h HIS 494 Cb 0.42 0.61 -0.02 0.00 1.06 0.00 0.00 27.41 29.49 1z8s h HIS 494 CO 0.01 -0.52 0.33 0.07 0.86 0.00 0.00 177.93 178.68 1z8s h ARG 495 N -0.58 0.00 0.00 2.45 0.11 -1.57 1.01 114.38 115.80 1z8s h ARG 495 Ca 0.05 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.05 1z8s h ARG 495 Cb 0.67 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.74 1z8s h ARG 495 CO -0.38 0.00 -0.39 0.00 0.10 0.00 0.00 179.97 179.30 1z8s h ALA 496 N 1.70 1.16 0.37 0.08 0.00 0.11 -1.60 119.26 121.08 1z8s h ALA 496 Ca 0.18 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1z8s h ALA 496 Cb 0.85 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1z8s h ALA 496 CO -0.00 0.48 -0.18 1.25 0.00 0.00 0.00 179.25 180.80 1z8s h LEU 497 N 0.00 -0.43 -1.41 0.00 7.12 0.30 1.46 115.31 122.35 1z8s h LEU 497 Ca -0.00 -0.13 0.18 0.00 0.13 0.00 0.00 57.88 58.06 1z8s h LEU 497 Cb 0.78 0.11 -0.07 0.00 -0.53 0.00 0.00 40.66 40.95 1z8s h LEU 497 CO 0.05 -0.09 0.58 0.00 -0.13 0.00 0.00 178.44 178.86 1z8s h ALA 498 N -0.32 2.05 -0.09 1.25 0.00 -1.39 0.33 119.26 121.09 1z8s h ALA 498 Ca -0.05 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1z8s h ALA 498 Cb 0.53 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1z8s h ALA 498 CO 0.08 -0.32 -0.71 0.00 0.00 0.00 0.00 179.25 178.30 1z8s h ALA 499 N 1.61 0.60 -0.91 0.00 0.00 -0.79 -3.08 119.26 116.69 1z8s h ALA 499 Ca 0.46 -0.60 0.18 0.00 0.00 0.00 0.00 54.91 54.96 1z8s h ALA 499 Cb 1.00 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.62 1z8s h ALA 499 CO -0.20 0.75 0.48 1.88 0.00 0.00 0.00 179.25 182.16 1z8s h TYR 500 N 0.30 0.83 -0.26 0.00 0.05 0.60 0.49 116.97 118.98 1z8s h TYR 500 Ca -0.03 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1z8s h TYR 500 Cb 1.29 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.79 1z8s h TYR 500 CO 0.05 0.12 0.17 0.82 -1.05 0.00 0.00 178.16 178.27 1z8s h ILE 501 N 0.59 1.08 -0.12 -2.88 5.03 -1.39 -0.35 117.51 119.46 1z8s h ILE 501 Ca 0.53 -0.16 0.01 0.00 -0.12 0.00 0.00 64.86 65.13 1z8s h ILE 501 Cb 0.87 0.71 -0.02 0.00 -3.03 0.00 0.00 36.82 35.35 1z8s h ILE 501 CO -0.42 0.07 -0.12 0.22 -0.68 0.00 0.00 178.15 177.23 1z8s h TYR 502 N 0.35 -0.36 -0.05 1.37 3.20 -0.00 0.73 116.97 122.21 1z8s h TYR 502 Ca 0.10 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 1z8s h TYR 502 Cb -0.02 0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1z8s h TYR 502 CO -0.05 -0.09 -0.24 0.00 -1.64 0.00 0.00 178.16 176.13 1z8s h ALA 503 N -0.92 0.10 0.00 1.82 0.00 -1.51 -3.06 119.26 115.69 1z8s h ALA 503 Ca 0.02 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1z8s h ALA 503 Cb 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1z8s h ALA 503 CO -0.15 0.10 -0.01 0.27 0.00 0.00 0.00 179.25 179.46 1z8s h PHE 504 N -0.29 0.00 -0.23 0.00 -0.00 -1.04 0.35 116.94 115.73 1z8s h PHE 504 Ca -0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 57.91 1z8s h PHE 504 Cb 0.90 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.84 1z8s h PHE 504 CO 0.14 0.01 -0.01 1.88 -0.00 0.00 0.00 178.31 180.33 1z8s h TYR 505 N 0.00 0.46 -0.43 6.09 -1.99 0.53 -2.37 116.97 119.26 1z8s h TYR 505 Ca -0.00 -0.08 0.12 0.00 2.00 0.00 0.00 58.73 60.77 1z8s h TYR 505 Cb 0.04 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 38.63 1z8s h TYR 505 CO 0.00 0.61 0.36 0.93 -0.00 0.00 0.00 178.16 180.06 1z8s h GLU 506 N 0.18 0.00 0.00 4.88 5.08 -0.83 0.59 114.58 124.47 1z8s h GLU 506 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1z8s h GLU 506 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1z8s h GLU 506 CO 0.01 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 178.95 1z8s h GLU 507 N 0.00 0.00 -3.79 2.33 5.08 -1.06 -3.47 114.58 113.67 1z8s h GLU 507 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1z8s h GLU 507 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1z8s h GLU 507 CO -0.00 0.00 -0.08 0.41 -1.00 0.00 0.00 179.01 178.34 1z8s n GLY 508 N -0.95 -0.75 0.00 -3.84 0.00 0.20 -4.91 105.19 94.95 1z8s n GLY 508 Ca -0.02 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.89 0.00 -0.25 1.61 1.44 -1.26 -5.12 115.22 110.74 1z8s n HIS 509 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 1z8s n HIS 509 Cb 0.35 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.46 1z8s n HIS 509 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 1z8s n GLU 510 N 0.00 0.00 0.00 -1.40 -0.00 -1.26 -4.90 120.64 113.08 1z8s n GLU 510 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1z8s n GLU 510 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1z8s n GLU 510 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1z8s n ALA 511 N 0.99 0.00 -2.22 -1.84 0.00 -1.26 -5.00 120.51 111.18 1z8s n ALA 511 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1z8s n ALA 511 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -2.43 -4.53 0.38 0.00 9.92 -1.26 -4.62 116.55 114.00 1z8s n ASP 512 Ca 0.00 0.87 -0.18 0.00 -0.53 0.00 0.00 54.79 54.95 1z8s n ASP 512 Cb 0.00 -3.65 -0.09 0.00 -0.64 0.00 0.00 41.12 36.74 1z8s n ASP 512 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1z8s h PRO 513 N 2.02 -0.90 0.00 -0.24 0.11 -1.94 -2.40 132.00 128.65 1z8s h PRO 513 Ca -0.09 0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1z8s h PRO 513 Cb 0.19 0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.51 1z8s h PRO 513 CO 0.05 -0.59 0.16 0.78 -0.21 0.00 0.00 178.00 178.19 1z8s h GLY 514 N -0.97 0.00 0.00 -0.55 0.00 -1.93 0.88 103.07 100.51 1z8s h GLY 514 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 1z8s h GLY 514 CO 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.66 1z8s h ALA 515 N 1.66 0.01 0.01 3.60 0.00 -1.80 -3.26 119.26 119.49 1z8s h ALA 515 Ca 0.00 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 1z8s h ALA 515 Cb 0.32 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.15 1z8s h ALA 515 CO 0.00 0.03 -0.80 1.25 0.00 0.00 0.00 179.25 179.72 1z8s h LEU 516 N -1.00 0.68 -2.01 0.00 6.46 -0.94 -3.24 115.31 115.26 1z8s h LEU 516 Ca -0.01 -0.76 0.13 0.00 -0.12 0.00 0.00 57.88 57.11 1z8s h LEU 516 Cb 0.51 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 1z8s h LEU 516 CO -0.00 1.36 0.32 0.40 -0.62 0.00 0.00 178.44 179.90 1z8s h ILE 517 N 0.08 0.74 -0.33 4.05 1.08 0.59 -2.17 117.51 121.56 1z8s h ILE 517 Ca -0.10 0.00 -0.23 0.00 -0.39 0.00 0.00 64.86 64.13 1z8s h ILE 517 Cb 1.50 0.77 -0.09 0.00 -3.07 0.00 0.00 36.82 35.93 1z8s h ILE 517 CO 0.16 0.00 0.06 -1.20 -0.69 0.00 0.00 178.15 176.48 1z8s n SER 518 N -4.34 5.81 -0.27 1.72 7.64 -1.22 -3.55 113.62 119.40 1z8s n SER 518 Ca 0.07 -2.75 0.00 0.00 1.01 0.00 0.00 58.87 57.21 1z8s n SER 518 Cb 0.52 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 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 1.40 0.00 -3.11 1.43 1.74 -0.81 -5.03 116.66 112.27 1z8s n ARG 519 Ca 0.30 -0.56 -0.33 0.00 -0.77 0.00 0.00 57.85 56.49 1z8s n ARG 519 Cb 0.65 -0.36 -0.06 0.00 -1.02 0.00 0.00 32.46 31.67 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 0.00 4.64 0.17 0.55 -1.09 -1.23 -5.00 121.20 119.24 1z8s s ILE 520 Ca 0.00 1.02 -0.10 0.00 -2.23 0.00 0.00 60.65 59.35 1z8s s ILE 520 Cb 0.00 -3.64 0.03 0.00 -1.58 0.00 0.00 42.46 37.28 1z8s s ILE 520 CO 0.00 -0.15 1.59 -0.65 -1.23 0.00 0.00 174.94 174.50 1z8s h PRO 521 N 2.35 1.03 0.00 2.79 0.11 -1.96 -3.45 132.00 132.88 1z8s h PRO 521 Ca -0.48 -0.38 0.00 0.00 0.11 0.00 0.00 66.00 65.25 1z8s h PRO 521 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1z8s h PRO 521 CO 0.65 1.07 0.00 0.41 -0.21 0.00 0.00 178.00 179.92 1z8s n GLY 522 N -0.26 -0.59 0.14 -0.55 0.00 -1.26 -5.00 105.19 97.67 1z8s n GLY 522 Ca 0.01 0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1z8s n GLY 522 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1z8s h GLU 523 N 0.00 0.43 0.00 1.61 5.08 -2.01 -3.22 114.58 116.47 1z8s h GLU 523 Ca 0.00 -0.63 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 1z8s h GLU 523 Cb 0.00 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1z8s h GLU 523 CO 0.00 1.27 0.00 -0.11 -1.00 0.00 0.00 179.01 179.17 1z8s n LEU 524 N -4.01 0.00 0.30 1.33 7.94 -1.26 -2.58 117.00 118.72 1z8s n LEU 524 Ca -0.13 0.30 -0.12 0.00 -1.11 0.00 0.00 56.01 54.95 1z8s n LEU 524 Cb 0.87 -0.30 -0.06 0.00 0.53 0.00 0.00 43.42 44.46 1z8s n LEU 524 CO 0.52 -0.04 0.43 1.56 -1.11 0.00 0.00 177.39 178.75 1z8s h GLN 525 N 0.00 -0.75 -0.62 1.96 1.08 -1.87 0.96 115.11 115.87 1z8s h GLN 525 Ca 0.00 0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.19 1z8s h GLN 525 Cb 0.26 0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 1z8s h GLN 525 CO 0.00 -0.50 0.13 -1.00 -0.95 0.00 0.00 178.83 176.52 1z8s h PRO 526 N -0.91 0.99 0.49 1.46 0.13 -1.69 -1.13 132.00 131.35 1z8s h PRO 526 Ca -0.08 -0.23 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 1z8s h PRO 526 Cb 0.59 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1z8s h PRO 526 CO 0.13 0.89 -0.24 -0.07 -0.23 0.00 0.00 178.00 178.48 1z8s h LEU 527 N 0.94 -0.56 -0.59 1.56 3.38 -1.49 -2.62 115.31 115.93 1z8s h LEU 527 Ca 0.20 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1z8s h LEU 527 Cb 0.36 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1z8s h LEU 527 CO 0.00 -0.22 0.32 0.00 0.09 0.00 0.00 178.44 178.63 1z8s h ALA 528 N -0.57 0.77 -0.44 1.53 0.00 0.97 0.53 119.26 122.05 1z8s h ALA 528 Ca -0.07 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1z8s h ALA 528 Cb 0.60 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1z8s h ALA 528 CO 0.11 0.00 0.10 1.03 0.00 0.00 0.00 179.25 180.49 1z8s h SER 529 N 0.62 0.04 0.63 0.00 0.87 -1.22 0.11 113.55 114.59 1z8s h SER 529 Ca 0.26 0.07 -0.13 0.00 -1.23 0.00 0.00 61.79 60.76 1z8s h SER 529 Cb 0.13 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1z8s h SER 529 CO -0.16 0.05 -0.62 1.05 -0.53 0.00 0.00 176.83 176.63 1z8s h GLU 530 N 0.24 0.00 0.00 2.24 4.11 -1.06 -2.91 114.58 117.20 1z8s h GLU 530 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 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 -0.27 0.62 0.00 -0.07 0.07 0.00 0.00 179.01 179.36 1z8s h LEU 531 N 0.00 0.00 -1.63 3.06 4.07 0.21 -3.20 115.31 117.82 1z8s h LEU 531 Ca -0.01 0.00 0.27 0.00 0.08 0.00 0.00 57.88 58.22 1z8s h LEU 531 Cb 1.10 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.80 1z8s h LEU 531 CO 0.08 0.00 0.90 0.77 -1.08 0.00 0.00 178.44 179.11 1z8s h SER 532 N 0.00 0.00 -0.29 -0.43 4.64 -0.67 -2.21 113.55 114.60 1z8s h SER 532 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1z8s h SER 532 Cb 0.38 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.25 1z8s h SER 532 CO 0.00 0.00 -0.59 -0.11 -0.87 0.00 0.00 176.83 175.26 1z8s n LEU 533 N -3.62 -0.95 -0.16 5.97 -0.00 -1.21 -4.81 117.00 112.21 1z8s n LEU 533 Ca 0.20 -3.53 -0.11 0.00 -0.00 0.00 0.00 56.01 52.56 1z8s n LEU 533 Cb 1.20 0.14 -0.00 0.00 -0.00 0.00 0.00 43.42 44.76 1z8s n LEU 533 CO 0.30 1.80 0.70 0.25 -0.00 0.00 0.00 177.39 180.44 1z8s h LEU 534 N 2.29 0.96 -5.03 -1.96 5.85 -1.43 -3.39 115.31 112.60 1z8s h LEU 534 Ca -0.23 -0.37 -0.25 0.00 0.84 0.00 0.00 57.88 57.87 1z8s h LEU 534 Cb 1.27 -0.26 -0.16 0.00 0.37 0.00 0.00 40.66 41.87 1z8s h LEU 534 CO 0.09 1.12 -0.47 0.00 -0.34 0.00 0.00 178.44 178.85 1z8s n LEU 535 N -4.19 -2.28 0.00 2.25 -0.00 -1.26 -5.08 117.00 106.44 1z8s n LEU 535 Ca 0.00 -3.73 0.00 0.00 -0.00 0.00 0.00 56.01 52.28 1z8s n LEU 535 Cb 0.42 0.93 0.00 0.00 -0.00 0.00 0.00 43.42 44.77 1z8s n LEU 535 CO 0.45 2.08 0.00 2.30 -0.00 0.00 0.00 177.39 182.22 1z8s n ILE 536 N 0.42 0.00 -3.37 1.47 -5.35 -1.26 -4.61 119.36 106.66 1z8s n ILE 536 Ca 0.07 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.52 1z8s n ILE 536 Cb 0.70 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 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 -0.22 0.19 -1.28 0.00 -1.26 -4.80 120.51 110.13 1z8s n ALA 537 Ca 0.00 -0.28 0.12 0.00 0.00 0.00 0.00 53.44 53.28 1z8s n ALA 537 Cb 0.00 0.22 0.63 0.00 0.00 0.00 0.00 19.45 20.31 1z8s n ALA 537 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1z8s h ASP 538 N 0.39 0.00 0.00 0.00 3.04 -2.02 -2.35 116.42 115.47 1z8s h ASP 538 Ca -0.06 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.73 1z8s h ASP 538 Cb 0.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.53 1z8s h ASP 538 CO 0.08 0.00 -0.19 0.47 -2.04 0.00 0.00 179.24 177.55 1z8s n ASP 539 N -2.33 0.55 -1.20 4.15 9.92 -1.26 -5.11 116.55 121.27 1z8s n ASP 539 Ca -0.01 -1.79 0.00 0.00 -0.53 0.00 0.00 54.79 52.46 1z8s n ASP 539 Cb 0.05 -0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 1z8s n ASP 539 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1z8s n VAL 540 N -0.25 -4.17 -1.62 2.53 0.31 -0.89 -4.48 118.33 109.77 1z8s n VAL 540 Ca 0.02 1.78 -0.41 0.00 -0.01 0.00 0.00 64.34 65.72 1z8s n VAL 540 Cb 0.57 -2.47 -0.03 0.00 -0.91 0.00 0.00 33.84 31.00 1z8s n VAL 540 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1z8s n SER 541 N -0.99 3.37 -0.28 4.52 2.88 -1.26 -4.73 113.62 117.13 1z8s n SER 541 Ca 0.00 -2.77 0.09 0.00 -1.33 0.00 0.00 58.87 54.86 1z8s n SER 541 Cb 0.02 -1.46 0.25 0.00 -0.75 0.00 0.00 64.21 62.27 1z8s n SER 541 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1z8s h GLU 542 N 7.24 0.39 -0.39 -1.46 9.09 -1.98 0.15 114.58 127.61 1z8s h GLU 542 Ca 0.47 -0.02 0.08 0.00 0.05 0.00 0.00 59.36 59.93 1z8s h GLU 542 Cb 0.70 -0.09 -0.08 0.00 -1.65 0.00 0.00 28.75 27.64 1z8s h GLU 542 CO 1.82 0.26 -0.10 0.37 0.05 0.00 0.00 179.01 181.40 1z8s h GLN 543 N 0.40 -0.01 -0.39 1.06 5.75 -1.98 0.50 115.11 120.45 1z8s h GLN 543 Ca 0.49 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.95 1z8s h GLN 543 Cb 0.86 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.40 1z8s h GLN 543 CO -0.49 -0.01 0.07 0.93 -2.65 0.00 0.00 178.83 176.68 1z8s h GLU 544 N -0.01 0.58 -0.40 1.69 5.08 -1.48 -2.51 114.58 117.54 1z8s h GLU 544 Ca 0.19 -0.11 0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1z8s h GLU 544 Cb 0.30 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 1z8s h GLU 544 CO -0.41 0.56 0.04 1.25 -1.00 0.00 0.00 179.01 179.45 1z8s h LEU 545 N 0.57 -0.07 -1.77 1.33 5.85 0.26 0.49 115.31 121.97 1z8s h LEU 545 Ca 0.13 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1z8s h LEU 545 Cb 0.26 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1z8s h LEU 545 CO 0.00 -0.00 0.04 -0.08 -0.34 0.00 0.00 178.44 178.06 1z8s h GLU 546 N 0.16 0.19 -0.04 1.25 4.57 -0.56 0.38 114.58 120.53 1z8s h GLU 546 Ca 0.20 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.26 1z8s h GLU 546 Cb 0.26 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1z8s h GLU 546 CO -0.29 0.17 -0.44 0.22 -1.18 0.00 0.00 179.01 177.49 1z8s h ASP 547 N 0.19 0.08 0.47 1.04 1.82 0.16 -2.67 116.42 117.52 1z8s h ASP 547 Ca 0.05 -0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.63 1z8s h ASP 547 Cb 0.06 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.06 1z8s h ASP 547 CO -0.00 0.51 -0.23 1.88 -1.61 0.00 0.00 179.24 179.79 1z8s h TYR 548 N 0.07 -0.59 -0.99 0.28 -1.99 0.15 -2.43 116.97 111.47 1z8s h TYR 548 Ca 0.00 -0.01 0.18 0.00 2.00 0.00 0.00 58.73 60.90 1z8s h TYR 548 Cb 0.81 0.19 -0.10 0.00 2.00 0.00 0.00 36.73 39.63 1z8s h TYR 548 CO 0.00 -0.37 0.61 0.82 -0.00 0.00 0.00 178.16 179.23 1z8s h ILE 549 N -0.81 0.74 -0.84 -2.88 1.08 -1.54 0.19 117.51 113.45 1z8s h ILE 549 Ca -0.06 -0.26 0.04 0.00 -0.39 0.00 0.00 64.86 64.19 1z8s h ILE 549 Cb 0.49 -0.07 -0.05 0.00 -3.07 0.00 0.00 36.82 34.11 1z8s h ILE 549 CO 0.11 0.14 0.54 0.03 -0.69 0.00 0.00 178.15 178.27 1z8s h ARG 550 N 0.75 1.00 -0.00 2.37 -0.00 -1.46 -2.19 114.38 114.84 1z8s h ARG 550 Ca 0.55 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.98 59.97 1z8s h ARG 550 Cb 0.88 -0.23 0.00 0.00 0.00 0.00 0.00 29.97 30.62 1z8s h ARG 550 CO -0.33 0.66 -0.00 0.45 0.00 0.00 0.00 179.97 180.75 1z8s h HIS 551 N 1.03 0.00 -0.87 3.04 3.86 -0.22 -3.20 115.15 118.80 1z8s h HIS 551 Ca 0.34 -0.00 0.25 0.00 -1.16 0.00 0.00 60.37 59.80 1z8s h HIS 551 Cb 0.03 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.47 1z8s h HIS 551 CO -0.03 0.60 0.64 0.28 0.86 0.00 0.00 177.93 180.29 1z8s h VAL 552 N -0.60 0.53 -0.14 2.45 2.07 -0.81 -0.37 116.25 119.37 1z8s h VAL 552 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1z8s h VAL 552 Cb 0.60 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1z8s h VAL 552 CO 0.00 0.00 0.49 0.25 0.02 0.00 0.00 177.57 178.33 1z8s h LEU 553 N 0.00 0.00 -3.14 2.57 7.12 -1.39 -3.43 115.31 117.04 1z8s h LEU 553 Ca 0.41 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 58.30 1z8s h LEU 553 Cb 1.69 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 41.82 1z8s h LEU 553 CO -0.00 0.00 -1.02 -0.46 -0.13 0.00 0.00 178.44 176.83 1z8s n ASN 554 N -3.04 -6.61 -3.87 1.25 0.23 -0.15 -5.03 115.26 98.04 1z8s n ASN 554 Ca 0.02 0.41 -0.08 0.00 -0.53 0.00 0.00 54.58 54.39 1z8s n ASN 554 Cb 0.57 -2.53 -0.03 0.00 -2.08 0.00 0.00 39.78 35.70 1z8s n ASN 554 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1z8s s ARG 555 N -1.68 1.70 -0.44 -3.83 1.81 -1.26 -5.04 118.95 110.20 1z8s s ARG 555 Ca 0.14 -1.15 -0.12 0.00 -1.72 0.00 0.00 55.73 52.88 1z8s s ARG 555 Cb -0.02 0.54 -0.12 0.00 -0.45 0.00 0.00 34.95 34.91 1z8s s ARG 555 CO 0.45 -0.75 1.64 -0.35 -0.68 0.00 0.00 175.30 175.62 1z8s n PRO 556 N -0.43 0.95 -2.97 3.54 -0.04 -1.26 -4.09 135.00 130.70 1z8s n PRO 556 Ca -0.03 -1.16 -0.21 0.00 -0.04 0.00 0.00 63.50 62.06 1z8s n PRO 556 Cb 0.60 -2.42 0.01 0.00 -0.04 0.00 0.00 33.50 31.66 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 5.71 -3.75 0.07 0.54 4.01 -1.26 -4.39 118.16 119.09 1z8s n LYS 557 Ca 0.32 0.76 -0.11 0.00 -0.51 0.00 0.00 58.31 58.77 1z8s n LYS 557 Cb 0.20 -5.52 -0.08 0.00 -0.51 0.00 0.00 35.03 29.12 1z8s n LYS 557 CO 0.00 0.00 0.00 2.35 -1.11 0.00 0.00 177.40 178.64 1z8s h TRP 558 N -0.93 -0.23 -0.02 2.13 -0.00 -1.93 -2.08 115.95 112.89 1z8s h TRP 558 Ca -0.47 -0.01 -0.15 0.00 -0.00 0.00 0.00 58.89 58.27 1z8s h TRP 558 Cb 1.32 0.08 -0.02 0.00 -0.00 0.00 0.00 29.16 30.54 1z8s h TRP 558 CO 0.60 0.18 -0.68 -0.07 -0.00 0.00 0.00 178.44 178.47 1z8s h LEU 559 N -0.83 0.12 -0.98 0.65 -0.00 -1.90 -2.33 115.31 110.03 1z8s h LEU 559 Ca -0.03 -0.08 0.02 0.00 -0.00 0.00 0.00 57.88 57.80 1z8s h LEU 559 Cb 0.52 -0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 41.09 1z8s h LEU 559 CO 0.04 0.76 0.65 -0.03 -0.00 0.00 0.00 178.44 179.86 1z8s h MET 560 N 0.07 1.27 -0.07 1.13 4.05 -1.74 0.44 114.93 120.07 1z8s h MET 560 Ca -0.01 -0.08 -0.11 0.00 -0.28 0.00 0.00 59.70 59.22 1z8s h MET 560 Cb 1.21 -0.29 -0.01 0.00 -0.80 0.00 0.00 31.60 31.71 1z8s h MET 560 CO 0.10 0.84 -0.45 1.25 0.23 0.00 0.00 176.91 178.87 1z8s h LEU 561 N 1.31 0.16 -0.67 3.39 5.85 -1.17 -2.51 115.31 121.67 1z8s h LEU 561 Ca 0.37 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.05 1z8s h LEU 561 Cb -0.12 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1z8s h LEU 561 CO -0.09 0.59 0.41 0.50 -0.34 0.00 0.00 178.44 179.51 1z8s h LYS 562 N 0.13 0.77 -0.73 1.25 3.11 -0.38 1.39 116.57 122.10 1z8s h LYS 562 Ca 0.01 -0.05 0.01 0.00 -2.81 0.00 0.00 60.65 57.81 1z8s h LYS 562 Cb 0.85 -0.17 -0.04 0.00 -1.00 0.00 0.00 32.23 31.87 1z8s h LYS 562 CO 0.07 0.51 0.48 0.28 -2.81 0.00 0.00 179.45 177.97 1z8s h VAL 563 N 0.79 1.17 0.00 2.00 2.07 -1.07 0.26 116.25 121.48 1z8s h VAL 563 Ca 0.28 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1z8s h VAL 563 Cb 0.06 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1z8s h VAL 563 CO -0.12 0.18 -0.07 0.11 0.02 0.00 0.00 177.57 177.69 1z8s h LYS 564 N 0.98 0.00 -0.46 1.57 6.56 -0.45 -2.47 116.57 122.29 1z8s h LYS 564 Ca 0.27 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.82 1z8s h LYS 564 Cb -0.09 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.55 1z8s h LYS 564 CO -0.07 0.07 0.12 1.49 -2.06 0.00 0.00 179.45 179.00 1z8s h GLU 565 N 0.00 0.73 -0.33 3.15 4.22 0.54 1.23 114.58 124.11 1z8s h GLU 565 Ca -0.00 -0.17 -0.16 0.00 0.08 0.00 0.00 59.36 59.11 1z8s h GLU 565 Cb 0.43 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1z8s h GLU 565 CO 0.01 0.72 -0.41 1.96 -2.18 0.00 0.00 179.01 179.11 1z8s h GLN 566 N 0.61 0.82 -0.12 1.92 4.20 -1.04 0.82 115.11 122.31 1z8s h GLN 566 Ca 0.14 -0.44 -0.22 0.00 0.06 0.00 0.00 58.65 58.20 1z8s h GLN 566 Cb 0.31 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.12 1z8s h GLN 566 CO 0.00 1.07 -0.79 0.93 -0.67 0.00 0.00 178.83 179.37 1z8s h GLU 567 N 0.66 0.67 -0.19 1.46 5.08 -1.28 0.13 114.58 121.11 1z8s h GLU 567 Ca 0.05 -0.57 -0.18 0.00 -1.00 0.00 0.00 59.36 57.66 1z8s h GLU 567 Cb 0.98 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1z8s h GLU 567 CO 0.09 1.18 -0.62 1.57 -1.00 0.00 0.00 179.01 180.24 1z8s h LYS 568 N 0.45 0.68 0.12 2.33 5.09 0.16 -2.59 116.57 122.81 1z8s h LYS 568 Ca -0.05 -0.47 -0.01 0.00 0.09 0.00 0.00 60.65 60.21 1z8s h LYS 568 Cb 1.41 0.07 0.00 0.00 0.10 0.00 0.00 32.23 33.81 1z8s h LYS 568 CO 0.16 1.09 -0.06 1.15 -2.09 0.00 0.00 179.45 179.69 1z8s h THR 569 N 0.50 0.89 -0.20 0.07 2.02 0.68 -1.25 112.91 115.61 1z8s h THR 569 Ca -0.01 -1.27 0.06 0.00 0.77 0.00 0.00 66.41 65.96 1z8s h THR 569 Cb 1.20 1.54 -0.07 0.00 -1.74 0.00 0.00 68.15 69.08 1z8s h THR 569 CO 0.12 0.25 -0.30 -0.08 0.37 0.00 0.00 175.52 175.88 1z8s h GLU 570 N -0.89 -0.32 0.00 6.66 4.81 -0.83 0.11 114.58 124.12 1z8s h GLU 570 Ca -0.02 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1z8s h GLU 570 Cb 0.53 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1z8s h GLU 570 CO 0.03 -0.22 -0.22 0.00 -0.73 0.00 0.00 179.01 177.87 1z8s h ALA 571 N 0.57 1.51 -0.45 2.92 0.00 -1.59 -2.16 119.26 120.06 1z8s h ALA 571 Ca 0.12 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1z8s h ALA 571 Cb 0.52 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1z8s h ALA 571 CO -0.39 0.28 0.12 1.49 0.00 0.00 0.00 179.25 180.74 1z8s h GLU 572 N 0.00 0.25 0.03 0.00 4.22 0.48 3.15 114.58 122.72 1z8s h GLU 572 Ca -0.00 -0.02 -0.16 0.00 0.08 0.00 0.00 59.36 59.27 1z8s h GLU 572 Cb 0.43 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.63 1z8s h GLU 572 CO 0.03 0.17 -0.63 0.07 -2.18 0.00 0.00 179.01 176.47 1z8s h ARG 573 N 0.26 0.38 0.00 1.92 0.11 -1.23 -3.34 114.38 112.48 1z8s h ARG 573 Ca 0.22 -0.44 -0.15 0.00 0.10 0.00 0.00 59.98 59.71 1z8s h ARG 573 Cb 0.26 0.14 -0.02 0.00 1.11 0.00 0.00 29.97 31.46 1z8s h ARG 573 CO -0.27 1.13 -0.74 0.00 0.10 0.00 0.00 179.97 180.19 1z8s h ARG 574 N -0.17 0.00 -3.93 0.08 2.47 -1.20 -3.50 114.38 108.13 1z8s h ARG 574 Ca -0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1z8s h ARG 574 Cb 1.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 1z8s h ARG 574 CO 0.12 0.70 -0.76 1.63 0.56 0.00 0.00 179.97 182.22 1z8s n LYS 575 N -3.26 -4.16 -3.28 0.04 5.02 1.05 -4.95 118.16 108.62 1z8s n LYS 575 Ca 0.01 3.10 -0.38 0.00 -2.02 0.00 0.00 58.31 59.02 1z8s n LYS 575 Cb 0.82 -3.62 -0.06 0.00 -0.02 0.00 0.00 35.03 32.16 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 -0.44 6.72 0.00 4.39 -1.08 -1.25 -4.80 116.67 120.20 1z8s s ASP 576 Ca 0.00 0.86 0.00 0.00 -0.52 0.00 0.00 52.55 52.89 1z8s s ASP 576 Cb 0.00 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 39.16 1z8s s ASP 576 CO 0.00 -0.02 0.00 0.49 0.52 0.00 0.00 175.17 176.16 1z8s n PHE 577 N 3.72 0.00 0.00 -5.34 3.72 -1.26 -2.44 117.46 115.86 1z8s n PHE 577 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1z8s n PHE 577 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 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 0.26 0.00 4.37 7.94 -1.26 -5.10 117.00 123.21 1z8s n LEU 578 Ca 0.00 0.47 0.00 0.00 -1.11 0.00 0.00 56.01 55.37 1z8s n LEU 578 Cb 0.00 -0.45 0.00 0.00 0.53 0.00 0.00 43.42 43.50 1z8s n LEU 578 CO 0.00 -0.45 0.00 0.35 -1.11 0.00 0.00 177.39 176.18 1z8s n THR 579 N -1.86 0.00 0.00 1.96 -2.24 -1.02 -4.98 114.28 106.14 1z8s n THR 579 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1z8s n THR 579 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1z8s n THR 579 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1z8s n ALA 580 N -3.00 0.90 -0.22 6.98 0.00 -1.26 -2.79 120.51 121.12 1z8s n ALA 580 Ca 0.00 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.74 1z8s n ALA 580 Cb 0.00 -0.87 0.73 0.00 0.00 0.00 0.00 19.45 19.31 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 1.75 2.92 -0.11 0.00 0.00 -1.93 0.41 119.26 122.29 1z8s h ALA 581 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1z8s h ALA 581 Cb 0.12 0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1z8s h ALA 581 CO 0.00 -1.21 -0.45 0.00 0.00 0.00 0.00 179.25 177.59 1z8s h ARG 582 N 0.00 0.51 -0.82 0.00 3.08 -1.85 -2.58 114.38 112.72 1z8s h ARG 582 Ca 0.46 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1z8s h ARG 582 Cb 1.87 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.96 1z8s h ARG 582 CO -0.00 1.02 0.52 0.82 -1.07 0.00 0.00 179.97 181.26 1z8s h ILE 583 N 0.11 1.22 -0.39 2.04 1.08 -0.57 -2.12 117.51 118.89 1z8s h ILE 583 Ca -0.02 -0.43 0.03 0.00 -0.39 0.00 0.00 64.86 64.05 1z8s h ILE 583 Cb 1.09 0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.85 1z8s h ILE 583 CO 0.10 0.22 0.19 0.00 -0.69 0.00 0.00 178.15 177.96 1z8s h ALA 584 N 1.28 0.47 -0.88 1.87 0.00 -0.78 -0.84 119.26 120.40 1z8s h ALA 584 Ca 0.30 0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.40 1z8s h ALA 584 Cb -0.09 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 1z8s h ALA 584 CO -0.06 -0.18 0.57 0.87 0.00 0.00 0.00 179.25 180.45 1z8s h LYS 585 N 0.38 0.51 -0.46 0.00 6.56 -0.98 -0.47 116.57 122.12 1z8s h LYS 585 Ca 0.17 -0.03 -0.06 0.00 -1.06 0.00 0.00 60.65 59.67 1z8s h LYS 585 Cb 0.08 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.61 1z8s h LYS 585 CO -0.12 0.34 0.07 0.93 -2.06 0.00 0.00 179.45 178.61 1z8s h GLU 586 N 0.53 0.76 -0.07 3.15 4.39 -0.70 -1.11 114.58 121.54 1z8s h GLU 586 Ca 0.45 -0.21 -0.13 0.00 0.34 0.00 0.00 59.36 59.81 1z8s h GLU 586 Cb 0.94 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 1z8s h GLU 586 CO -0.19 0.78 -0.55 0.52 -1.16 0.00 0.00 179.01 178.42 1z8s h MET 587 N 0.63 0.21 0.00 2.33 2.86 -0.74 -2.33 114.93 117.89 1z8s h MET 587 Ca 0.14 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 1z8s h MET 587 Cb 0.39 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1z8s h MET 587 CO 0.01 0.70 -0.37 0.97 1.06 0.00 0.00 176.91 179.28 1z8s h ILE 588 N 0.16 0.83 0.25 -1.22 -0.00 -1.09 -2.65 117.51 113.78 1z8s h ILE 588 Ca 0.00 -1.58 -0.01 0.00 -0.00 0.00 0.00 64.86 63.27 1z8s h ILE 588 Cb 1.01 1.99 0.00 0.00 -0.00 0.00 0.00 36.82 39.82 1z8s h ILE 588 CO 0.08 0.37 -0.12 1.05 -0.00 0.00 0.00 178.15 179.53 1z8s h GLU 589 N 0.00 -0.32 -0.96 2.19 4.11 -0.75 -2.52 114.58 116.33 1z8s h GLU 589 Ca -0.00 0.02 0.19 0.00 0.07 0.00 0.00 59.36 59.64 1z8s h GLU 589 Cb 0.96 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.20 1z8s h GLU 589 CO 0.05 0.02 0.61 0.00 0.07 0.00 0.00 179.01 179.76 1z8s h MET 590 N -0.72 0.59 -0.47 1.06 -0.00 -1.39 0.43 114.93 114.43 1z8s h MET 590 Ca -0.03 -0.04 0.05 0.00 -0.00 0.00 0.00 59.70 59.68 1z8s h MET 590 Cb 0.49 -0.13 -0.05 0.00 -0.00 0.00 0.00 31.60 31.91 1z8s h MET 590 CO 0.06 0.39 0.21 0.87 -0.00 0.00 0.00 176.91 178.44 1z8s h LYS 591 N 0.61 0.41 -0.36 -0.10 1.57 -1.25 -1.68 116.57 115.77 1z8s h LYS 591 Ca 0.52 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 59.11 1z8s h LYS 591 Cb 1.01 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 1z8s h LYS 591 CO -0.27 0.27 -0.43 0.87 -0.57 0.00 0.00 179.45 179.31 1z8s h LYS 592 N 0.42 0.92 -0.54 3.15 1.79 0.02 -3.00 116.57 119.32 1z8s h LYS 592 Ca 0.21 -0.51 0.16 0.00 -2.18 0.00 0.00 60.65 58.33 1z8s h LYS 592 Cb 0.16 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 1z8s h LYS 592 CO -0.18 1.16 0.39 0.52 -1.08 0.00 0.00 179.45 180.26 1z8s h MET 593 N 0.74 0.00 0.00 3.15 2.86 0.33 0.30 114.93 122.31 1z8s h MET 593 Ca 0.05 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1z8s h MET 593 Cb 1.03 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.69 1z8s h MET 593 CO 0.10 0.00 -0.06 -0.07 1.06 0.00 0.00 176.91 177.95 1z8s h LEU 594 N 0.00 0.00 -1.82 1.22 3.38 -1.18 -3.43 115.31 113.49 1z8s h LEU 594 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1z8s h LEU 594 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1z8s h LEU 594 CO -0.00 0.06 -0.72 -1.20 0.09 0.00 0.00 178.44 176.67 1z8s n SER 595 N -3.30 -7.53 0.00 -0.43 7.64 0.11 -5.05 113.62 105.06 1z8s n SER 595 Ca -0.01 1.36 0.00 0.00 1.01 0.00 0.00 58.87 61.23 1z8s n SER 595 Cb 0.24 -4.07 0.00 0.00 -1.01 0.00 0.00 64.21 59.36 1z8s n SER 595 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1z8s n SER 596 N 1.33 -0.01 0.00 6.43 7.64 -1.26 -5.10 113.62 122.65 1z8s n SER 596 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1z8s n SER 596 Cb 0.00 0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1z8s n SER 596 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83