#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zbx s GLU 486 N 0.00 1.09 0.07 -2.82 2.02 -1.26 -4.90 118.70 112.91 1zbx s GLU 486 Ca 0.00 -1.28 0.01 0.00 0.02 0.00 0.00 54.97 53.72 1zbx s GLU 486 Cb 0.00 -1.03 -0.04 0.00 0.10 0.00 0.00 34.13 33.16 1zbx s GLU 486 CO 0.00 0.20 0.16 -2.00 0.02 0.00 0.00 175.26 173.65 1zbx s GLU 487 N -2.68 3.22 -0.30 1.61 2.12 -1.26 -4.45 118.70 116.96 1zbx s GLU 487 Ca 0.11 -0.55 -0.25 0.00 0.36 0.00 0.00 54.97 54.64 1zbx s GLU 487 Cb -0.05 -2.91 0.18 0.00 0.26 0.00 0.00 34.13 31.61 1zbx s GLU 487 CO 0.04 0.59 1.41 -2.00 -0.54 0.00 0.00 175.26 174.75 1zbx s GLU 488 N -2.51 0.10 -0.67 4.30 2.12 -0.40 -4.99 118.70 116.64 1zbx s GLU 488 Ca 0.33 0.12 -0.23 0.00 0.36 0.00 0.00 54.97 55.55 1zbx s GLU 488 Cb -0.13 0.05 0.07 0.00 0.26 0.00 0.00 34.13 34.38 1zbx s GLU 488 CO 0.26 -0.01 1.00 0.71 -0.54 0.00 0.00 175.26 176.67 1zbx s TYR 489 N 0.05 2.64 0.40 5.30 1.51 -1.26 -0.42 117.35 125.58 1zbx s TYR 489 Ca 0.07 -0.52 0.36 0.00 -1.01 0.00 0.00 57.07 55.97 1zbx s TYR 489 Cb -0.05 -4.32 1.81 0.00 -0.11 0.00 0.00 41.96 39.29 1zbx s TYR 489 CO -0.15 -1.69 2.16 0.28 -1.11 0.00 0.00 175.55 175.05 1zbx h VAL 490 N 5.98 0.15 -2.40 0.71 2.07 -1.60 -3.45 116.25 117.71 1zbx h VAL 490 Ca -0.28 -0.31 0.19 0.00 0.82 0.00 0.00 66.70 67.11 1zbx h VAL 490 Cb 1.07 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 1zbx h VAL 490 CO 1.19 0.03 0.59 -0.94 0.02 0.00 0.00 177.57 178.46 1zbx s SER 491 N -5.60 -0.04 0.41 0.57 1.04 -1.02 -4.88 113.70 104.17 1zbx s SER 491 Ca -0.02 -0.56 0.12 0.00 0.48 0.00 0.00 55.95 55.97 1zbx s SER 491 Cb 0.12 0.46 0.86 0.00 0.10 0.00 0.00 66.02 67.56 1zbx s SER 491 CO 0.50 -0.89 1.93 -0.65 0.98 0.00 0.00 173.24 175.11 1zbx h PRO 492 N 2.00 0.10 0.15 4.02 0.11 -2.02 -3.22 132.00 133.13 1zbx h PRO 492 Ca -0.27 -0.02 -0.32 0.00 0.11 0.00 0.00 66.00 65.50 1zbx h PRO 492 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1zbx h PRO 492 CO 0.33 0.30 -1.65 -0.09 -0.21 0.00 0.00 178.00 176.67 1zbx h ARG 493 N 0.09 0.31 -5.14 1.05 2.43 -1.95 -3.47 114.38 107.71 1zbx h ARG 493 Ca 0.02 -0.53 -0.62 0.00 -0.81 0.00 0.00 59.98 58.04 1zbx h ARG 493 Cb 0.40 0.20 -0.14 0.00 -0.42 0.00 0.00 29.97 30.01 1zbx h ARG 493 CO 0.03 1.26 -0.51 -0.06 -1.51 0.00 0.00 179.97 179.17 1zbx s PHE 494 N -2.53 3.33 -0.10 2.20 0.40 -1.22 -0.23 117.98 119.82 1zbx s PHE 494 Ca -0.19 0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.40 1zbx s PHE 494 Cb 0.05 -2.23 0.01 0.00 0.51 0.00 0.00 43.02 41.36 1zbx s PHE 494 CO 0.80 0.11 -0.20 -1.17 0.70 0.00 0.00 175.22 175.46 1zbx s LEU 495 N 0.87 1.96 -0.36 -0.37 2.96 -0.34 -1.39 118.68 122.02 1zbx s LEU 495 Ca 0.07 -0.50 -0.12 0.00 -0.22 0.00 0.00 54.13 53.36 1zbx s LEU 495 Cb -0.13 -1.26 0.00 0.00 0.50 0.00 0.00 46.19 45.30 1zbx s LEU 495 CO 0.03 0.10 0.23 -0.69 -1.32 0.00 0.00 176.35 174.70 1zbx s VAL 496 N 0.56 5.03 -0.09 1.68 1.01 0.44 0.70 120.40 129.74 1zbx s VAL 496 Ca -0.15 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 1zbx s VAL 496 Cb -0.17 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.56 1zbx s VAL 496 CO 0.05 -0.11 0.25 0.00 0.00 0.00 0.00 175.10 175.29 1zbx s ALA 497 N 1.66 -0.62 -1.34 5.51 0.00 -0.67 -1.28 121.76 125.03 1zbx s ALA 497 Ca 0.05 0.68 -0.05 0.00 0.00 0.00 0.00 51.96 52.64 1zbx s ALA 497 Cb -0.18 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.58 1zbx s ALA 497 CO 0.09 -0.13 0.37 -0.25 0.00 0.00 0.00 175.76 175.84 1zbx n ASP 498 N 2.86 -4.60 0.00 0.00 8.00 -1.26 -1.74 116.55 119.81 1zbx n ASP 498 Ca -0.13 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.18 1zbx n ASP 498 Cb 0.58 -3.80 0.00 0.00 -0.02 0.00 0.00 41.12 37.88 1zbx n ASP 498 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zbx n GLY 499 N -1.17 1.01 3.42 0.44 0.00 -1.26 -4.97 105.19 102.66 1zbx n GLY 499 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1zbx n GLY 499 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1zbx s PHE 500 N -3.39 2.32 -0.34 1.61 0.40 -0.71 -1.65 117.98 116.22 1zbx s PHE 500 Ca 0.00 -0.36 -0.17 0.00 -0.60 0.00 0.00 56.93 55.80 1zbx s PHE 500 Cb 0.00 -1.19 -0.01 0.00 0.51 0.00 0.00 43.02 42.34 1zbx s PHE 500 CO 0.00 0.45 0.46 -1.17 0.70 0.00 0.00 175.22 175.66 1zbx s LEU 501 N -2.48 4.36 -0.27 -0.37 2.96 -1.26 -1.66 118.68 119.96 1zbx s LEU 501 Ca 0.19 -0.07 -0.10 0.00 -0.22 0.00 0.00 54.13 53.93 1zbx s LEU 501 Cb -0.09 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1zbx s LEU 501 CO 0.09 -0.42 0.15 -0.63 -1.32 0.00 0.00 176.35 174.22 1zbx s ILE 502 N 2.27 5.01 -0.77 6.68 1.01 0.22 -1.32 121.20 134.29 1zbx s ILE 502 Ca 0.16 0.06 -0.23 0.00 0.00 0.00 0.00 60.65 60.64 1zbx s ILE 502 Cb -0.16 -3.38 0.06 0.00 0.01 0.00 0.00 42.46 39.00 1zbx s ILE 502 CO 0.13 0.27 1.15 -0.62 0.00 0.00 0.00 174.94 175.87 1zbx s ASP 503 N 1.72 6.28 0.58 3.58 -1.08 -0.54 -1.20 116.67 126.01 1zbx s ASP 503 Ca 0.07 -1.04 0.35 0.00 -0.52 0.00 0.00 52.55 51.41 1zbx s ASP 503 Cb -0.16 -2.48 1.75 0.00 -1.46 0.00 0.00 42.92 40.57 1zbx s ASP 503 CO 0.09 -1.52 2.14 -0.07 0.52 0.00 0.00 175.17 176.33 1zbx h LEU 504 N 11.95 0.00 -0.89 -1.34 3.38 -0.89 0.14 115.31 127.66 1zbx h LEU 504 Ca -0.15 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1zbx h LEU 504 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1zbx h LEU 504 CO 1.24 0.04 -0.34 0.00 0.09 0.00 0.00 178.44 179.47 1zbx h ALA 505 N 1.96 0.97 -0.00 1.53 0.00 -1.90 -3.17 119.26 118.64 1zbx h ALA 505 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1zbx h ALA 505 Cb 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1zbx h ALA 505 CO 0.01 0.43 -0.48 0.39 0.00 0.00 0.00 179.25 179.59 1zbx n GLU 506 N -3.46 3.50 -3.55 0.00 -0.58 -0.83 -5.02 120.64 110.71 1zbx n GLU 506 Ca 0.00 -0.03 -0.22 0.00 -0.42 0.00 0.00 57.16 56.50 1zbx n GLU 506 Cb 0.51 -1.00 0.08 0.00 -0.57 0.00 0.00 31.44 30.46 1zbx n GLU 506 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1zbx n GLU 507 N -1.20 -7.41 -3.59 3.49 1.02 0.44 -4.81 120.64 108.57 1zbx n GLU 507 Ca 0.02 0.83 -0.11 0.00 -0.02 0.00 0.00 57.16 57.88 1zbx n GLU 507 Cb 0.16 -5.86 -0.03 0.00 -0.02 0.00 0.00 31.44 25.69 1zbx n GLU 507 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1zbx s LYS 508 N -5.98 1.26 0.55 3.49 -2.85 -1.12 0.16 119.74 115.26 1zbx s LYS 508 Ca 0.37 -0.67 -0.18 0.00 -1.00 0.00 0.00 55.97 54.49 1zbx s LYS 508 Cb -0.16 0.54 -0.06 0.00 -2.06 0.00 0.00 37.83 36.09 1zbx s LYS 508 CO 0.73 -0.53 1.07 -2.14 0.10 0.00 0.00 175.35 174.57 1zbx s PRO 509 N -3.81 3.47 -0.01 1.78 0.02 -1.26 -1.47 135.00 133.72 1zbx s PRO 509 Ca 0.04 1.34 0.04 0.00 0.02 0.00 0.00 61.00 62.44 1zbx s PRO 509 Cb -0.00 -2.05 -0.01 0.00 0.02 0.00 0.00 34.50 32.46 1zbx s PRO 509 CO -0.09 -0.71 -0.13 -1.50 -0.33 0.00 0.00 177.00 174.24 1zbx s ILE 510 N -2.16 1.06 0.18 2.83 2.07 -0.43 -4.83 121.20 119.93 1zbx s ILE 510 Ca 0.67 -0.60 -0.32 0.00 -1.41 0.00 0.00 60.65 58.99 1zbx s ILE 510 Cb -0.18 -0.89 -0.11 0.00 0.13 0.00 0.00 42.46 41.41 1zbx s ILE 510 CO 0.29 0.28 1.71 0.21 -1.91 0.00 0.00 174.94 175.53 1zbx s ASN 511 N -0.36 6.42 0.00 4.50 3.84 -1.26 -4.34 114.94 123.73 1zbx s ASN 511 Ca 0.05 2.80 0.14 0.00 0.21 0.00 0.00 52.86 56.06 1zbx s ASN 511 Cb -0.05 -2.59 0.83 0.00 -0.55 0.00 0.00 41.25 38.88 1zbx s ASN 511 CO -0.00 -0.95 1.25 -2.65 -2.79 0.00 0.00 177.10 171.96 1zbx n PRO 512 N 4.28 0.43 -0.12 0.43 -0.02 -1.26 -1.63 135.00 137.11 1zbx n PRO 512 Ca 0.16 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.70 1zbx n PRO 512 Cb 0.36 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.47 1zbx n PRO 512 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1zbx n LYS 513 N -1.00 2.07 -1.95 -0.52 5.02 -1.26 -4.98 118.16 115.55 1zbx n LYS 513 Ca 0.10 -1.79 -0.42 0.00 -2.02 0.00 0.00 58.31 54.18 1zbx n LYS 513 Cb 0.05 -1.28 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 1zbx n LYS 513 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1zbx s ASP 514 N -1.01 6.63 0.53 4.39 -1.08 -0.65 -4.85 116.67 120.63 1zbx s ASP 514 Ca 0.22 2.33 0.29 0.00 -0.52 0.00 0.00 52.55 54.87 1zbx s ASP 514 Cb 0.12 -2.54 1.45 0.00 -1.46 0.00 0.00 42.92 40.49 1zbx s ASP 514 CO 0.17 -0.94 1.93 1.55 0.52 0.00 0.00 175.17 178.39 1zbx h PRO 515 N 9.58 0.01 -0.98 4.34 0.13 -1.93 -2.10 132.00 141.05 1zbx h PRO 515 Ca -0.41 -0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.94 1zbx h PRO 515 Cb 1.19 -0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 1zbx h PRO 515 CO 0.95 0.01 0.56 0.00 -0.23 0.00 0.00 178.00 179.28 1zbx h ARG 516 N 0.01 0.59 -0.19 0.86 3.08 -1.98 0.23 114.38 116.98 1zbx h ARG 516 Ca 0.37 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.44 1zbx h ARG 516 Cb 1.46 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 1zbx h ARG 516 CO -0.01 0.39 0.23 -0.07 -1.07 0.00 0.00 179.97 179.44 1zbx h LEU 517 N 0.61 0.00 -1.40 3.04 3.38 -1.77 0.22 115.31 119.39 1zbx h LEU 517 Ca 0.60 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.58 1zbx h LEU 517 Cb 1.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1zbx h LEU 517 CO -0.45 0.00 0.41 -0.07 0.09 0.00 0.00 178.44 178.42 1zbx h LEU 518 N 0.00 0.70 0.02 1.67 3.38 -0.71 -1.78 115.31 118.59 1zbx h LEU 518 Ca 0.09 -0.02 -0.39 0.00 0.09 0.00 0.00 57.88 57.65 1zbx h LEU 518 Cb 0.54 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1zbx h LEU 518 CO -0.00 0.51 -2.30 0.35 0.09 0.00 0.00 178.44 177.09 1zbx n THR 519 N -4.44 1.56 0.29 0.22 -2.24 -0.07 -4.45 114.28 105.14 1zbx n THR 519 Ca 0.06 -0.49 0.14 0.00 -2.27 0.00 0.00 64.05 61.49 1zbx n THR 519 Cb 0.05 -1.66 0.87 0.00 -2.10 0.00 0.00 70.33 67.49 1zbx n THR 519 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1zbx h LEU 520 N -0.34 0.00 -9.01 3.22 3.38 -0.65 -3.43 115.31 108.47 1zbx h LEU 520 Ca -0.56 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.74 1zbx h LEU 520 Cb 1.80 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 42.35 1zbx h LEU 520 CO -0.16 0.00 -0.83 -0.76 0.09 0.00 0.00 178.44 176.78 1zbx s LEU 521 N -7.93 2.46 0.39 1.67 1.43 -0.67 -5.03 118.68 111.00 1zbx s LEU 521 Ca -0.05 -0.76 -0.10 0.00 -1.03 0.00 0.00 54.13 52.18 1zbx s LEU 521 Cb 0.15 -1.27 -0.06 0.00 0.03 0.00 0.00 46.19 45.04 1zbx s LEU 521 CO 0.57 0.15 0.75 -0.54 0.23 0.00 0.00 176.35 177.51 1zbx s LYS 522 N -2.38 3.78 0.23 1.70 1.02 -1.26 -4.80 119.74 118.03 1zbx s LYS 522 Ca 0.18 0.45 -0.09 0.00 0.02 0.00 0.00 55.97 56.53 1zbx s LYS 522 Cb -0.09 -2.41 0.37 0.00 -0.52 0.00 0.00 37.83 35.18 1zbx s LYS 522 CO 0.09 -0.01 1.65 -0.44 -0.92 0.00 0.00 175.35 175.71 1zbx h ASP 523 N 1.33 -0.32 -0.07 2.83 3.32 -1.97 0.65 116.42 122.19 1zbx h ASP 523 Ca -0.47 0.18 0.01 0.00 0.02 0.00 0.00 57.03 56.77 1zbx h ASP 523 Cb 1.19 0.31 -0.00 0.00 0.22 0.00 0.00 39.33 41.05 1zbx h ASP 523 CO 0.64 -0.15 0.05 1.12 -1.72 0.00 0.00 179.24 179.18 1zbx h HIS 524 N 0.11 0.05 -0.07 4.55 2.07 -1.99 0.24 115.15 120.10 1zbx h HIS 524 Ca 0.37 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.78 1zbx h HIS 524 Cb 0.63 -0.02 0.01 0.00 2.57 0.00 0.00 27.41 30.60 1zbx h HIS 524 CO -0.40 0.03 -0.40 1.96 -3.07 0.00 0.00 177.93 176.05 1zbx h GLN 525 N 0.05 0.40 0.00 5.12 4.20 -1.25 -2.54 115.11 121.10 1zbx h GLN 525 Ca 0.03 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 1zbx h GLN 525 Cb 0.06 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1zbx h GLN 525 CO -0.00 0.98 -0.01 0.00 -0.67 0.00 0.00 178.83 179.12 1zbx h ARG 526 N -0.07 0.00 0.02 1.46 3.08 -0.68 -2.25 114.38 115.94 1zbx h ARG 526 Ca -0.03 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.76 1zbx h ARG 526 Cb 1.06 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.13 1zbx h ARG 526 CO 0.08 0.01 -1.06 0.00 -1.07 0.00 0.00 179.97 177.93 1zbx h ALA 527 N 1.99 0.15 -0.72 0.04 0.00 -0.90 -2.56 119.26 117.26 1zbx h ALA 527 Ca -0.00 -0.71 0.04 0.00 0.00 0.00 0.00 54.91 54.23 1zbx h ALA 527 Cb 0.46 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1zbx h ALA 527 CO 0.00 0.72 0.48 0.52 0.00 0.00 0.00 179.25 180.96 1zbx h MET 528 N 0.34 0.85 -0.05 0.00 2.86 -0.97 -0.96 114.93 116.99 1zbx h MET 528 Ca -0.13 -0.05 -0.17 0.00 -2.06 0.00 0.00 59.70 57.29 1zbx h MET 528 Cb 1.72 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 33.18 1zbx h MET 528 CO 0.20 0.56 -0.72 0.82 1.06 0.00 0.00 176.91 178.83 1zbx h ILE 529 N 0.87 1.42 -0.08 -1.22 2.04 -1.43 -3.06 117.51 116.04 1zbx h ILE 529 Ca 0.29 -2.22 -0.01 0.00 1.00 0.00 0.00 64.86 63.92 1zbx h ILE 529 Cb 0.07 2.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1zbx h ILE 529 CO -0.08 0.65 0.01 0.44 0.00 0.00 0.00 178.15 179.17 1zbx h ASP 530 N 0.18 0.13 0.15 1.72 3.32 -0.84 -2.73 116.42 118.34 1zbx h ASP 530 Ca -0.02 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1zbx h ASP 530 Cb 1.28 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1zbx h ASP 530 CO 0.11 0.35 0.00 0.00 -1.72 0.00 0.00 179.24 177.99 1zbx n GLN 531 N -4.88 0.11 -4.12 3.56 1.13 -0.47 -4.70 117.38 108.02 1zbx n GLN 531 Ca -0.06 0.21 -0.22 0.00 -1.94 0.00 0.00 57.00 54.99 1zbx n GLN 531 Cb 0.16 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 28.97 1zbx n GLN 531 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1zbx s MET 532 N -2.57 2.79 -0.34 -1.09 -1.94 -1.03 -5.08 119.30 110.03 1zbx s MET 532 Ca 0.07 -1.15 -0.21 0.00 -1.71 0.00 0.00 55.69 52.70 1zbx s MET 532 Cb 0.05 -2.48 0.00 0.00 2.01 0.00 0.00 34.83 34.41 1zbx s MET 532 CO 0.12 0.36 0.65 -0.80 -0.01 0.00 0.00 175.02 175.34 1zbx s ASN 533 N -3.83 6.46 -0.04 3.03 -0.87 -1.26 -4.96 114.94 113.47 1zbx s ASN 533 Ca 0.33 0.25 0.06 0.00 -1.57 0.00 0.00 52.86 51.94 1zbx s ASN 533 Cb -0.07 -2.33 -0.01 0.00 -0.02 0.00 0.00 41.25 38.81 1zbx s ASN 533 CO 0.24 -0.58 -0.24 -0.76 -2.57 0.00 0.00 177.10 173.20 1zbx s LEU 534 N 2.72 2.04 0.27 0.60 1.43 -1.26 -4.42 118.68 120.06 1zbx s LEU 534 Ca 0.25 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 1zbx s LEU 534 Cb -0.14 -1.26 -0.11 0.00 0.03 0.00 0.00 46.19 44.70 1zbx s LEU 534 CO 0.14 0.26 1.62 -0.69 0.23 0.00 0.00 176.35 177.91 1zbx s VAL 535 N -0.32 2.07 -0.46 -1.59 1.01 -0.66 -4.93 120.40 115.52 1zbx s VAL 535 Ca 0.02 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 1zbx s VAL 535 Cb -0.11 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.26 1zbx s VAL 535 CO 0.01 0.01 0.84 -0.54 0.00 0.00 0.00 175.10 175.42 1zbx s LYS 536 N -0.11 3.45 0.66 2.72 1.02 -1.26 -4.88 119.74 121.34 1zbx s LYS 536 Ca 0.66 -0.01 0.28 0.00 0.02 0.00 0.00 55.97 56.92 1zbx s LYS 536 Cb -0.48 -3.94 1.51 0.00 -0.52 0.00 0.00 37.83 34.40 1zbx s LYS 536 CO 0.44 -1.17 1.86 -1.49 -0.92 0.00 0.00 175.35 174.07 1zbx h TRP 537 N 9.03 0.00 0.00 3.18 4.06 -2.00 0.36 115.95 130.59 1zbx h TRP 537 Ca -0.24 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.61 1zbx h TRP 537 Cb 1.08 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.23 1zbx h TRP 537 CO 0.83 0.00 -0.44 -0.91 -3.56 0.00 0.00 178.44 174.36 1zbx h ASN 538 N 0.00 0.00 0.30 -3.49 2.35 -2.03 -2.37 115.58 110.34 1zbx h ASN 538 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1zbx h ASN 538 Cb 0.81 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.18 1zbx h ASN 538 CO -0.00 0.44 0.00 0.44 -1.65 0.00 0.00 177.43 176.66 1zbx h ASP 539 N 0.00 0.00 1.32 5.81 3.32 -1.33 -2.30 116.42 123.25 1zbx h ASP 539 Ca -0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1zbx h ASP 539 Cb 1.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 1zbx h ASP 539 CO 0.06 0.00 -0.66 -0.26 -1.72 0.00 0.00 179.24 176.65 1zbx h PHE 540 N 0.00 0.00 -1.00 4.55 0.05 -1.56 -3.33 116.94 115.64 1zbx h PHE 540 Ca 0.00 0.00 0.16 0.00 3.82 0.00 0.00 57.97 61.95 1zbx h PHE 540 Cb 0.15 0.00 -0.10 0.00 2.00 0.00 0.00 35.95 38.00 1zbx h PHE 540 CO 0.00 0.66 0.62 0.87 -0.18 0.00 0.00 178.31 180.28 1zbx h LYS 541 N 0.00 0.82 0.00 1.51 1.57 -1.54 -1.67 116.57 117.26 1zbx h LYS 541 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1zbx h LYS 541 Cb 1.51 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1zbx h LYS 541 CO 0.09 0.54 0.00 1.17 -0.57 0.00 0.00 179.45 180.68 1zbx n LYS 542 N -4.70 0.13 -4.23 3.15 4.81 -1.25 -4.72 118.16 111.34 1zbx n LYS 542 Ca 0.22 0.54 -0.35 0.00 -0.87 0.00 0.00 58.31 57.85 1zbx n LYS 542 Cb 0.49 -1.86 -0.09 0.00 0.02 0.00 0.00 35.03 33.59 1zbx n LYS 542 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1zbx s TYR 543 N -3.39 3.25 -0.11 5.64 1.51 -0.63 -5.01 117.35 118.60 1zbx s TYR 543 Ca 0.00 0.21 0.16 0.00 -1.01 0.00 0.00 57.07 56.43 1zbx s TYR 543 Cb 0.06 -1.87 -0.22 0.00 -0.11 0.00 0.00 41.96 39.83 1zbx s TYR 543 CO 0.23 0.44 0.51 1.04 -1.11 0.00 0.00 175.55 176.66 1zbx n GLN 544 N 2.41 0.65 -3.63 -0.62 6.02 -1.26 -4.97 117.38 115.97 1zbx n GLN 544 Ca -0.18 0.16 -0.23 0.00 -0.01 0.00 0.00 57.00 56.74 1zbx n GLN 544 Cb 0.54 -1.70 -0.02 0.00 1.02 0.00 0.00 30.24 30.08 1zbx n GLN 544 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1zbx s ASP 545 N -5.75 6.31 0.50 1.08 1.01 -1.26 -4.58 116.67 113.98 1zbx s ASP 545 Ca -0.06 0.29 -0.22 0.00 0.71 0.00 0.00 52.55 53.27 1zbx s ASP 545 Cb 0.08 -1.96 -0.06 0.00 1.01 0.00 0.00 42.92 41.98 1zbx s ASP 545 CO 0.83 -0.20 1.21 -2.16 0.21 0.00 0.00 175.17 175.06 1zbx s PRO 546 N -4.15 3.51 -0.20 8.23 0.04 -1.26 -4.80 135.00 136.37 1zbx s PRO 546 Ca 0.37 1.87 -0.11 0.00 0.04 0.00 0.00 61.00 63.17 1zbx s PRO 546 Cb -0.09 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 1zbx s PRO 546 CO 0.33 -0.79 0.19 0.42 0.04 0.00 0.00 177.00 177.19 1zbx s ILE 547 N -1.51 5.37 -0.12 0.56 1.01 0.15 -4.78 121.20 121.88 1zbx s ILE 547 Ca 0.68 0.30 -0.27 0.00 0.00 0.00 0.00 60.65 61.36 1zbx s ILE 547 Cb -0.31 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 1zbx s ILE 547 CO 0.37 0.41 0.88 -2.16 0.00 0.00 0.00 174.94 174.44 1zbx s PRO 548 N 0.53 4.38 0.05 2.79 0.04 -1.26 -2.03 135.00 139.50 1zbx s PRO 548 Ca 0.10 1.16 0.09 0.00 0.04 0.00 0.00 61.00 62.39 1zbx s PRO 548 Cb -0.12 -3.53 -0.03 0.00 0.04 0.00 0.00 34.50 30.86 1zbx s PRO 548 CO 0.01 -0.24 -0.25 -0.51 0.04 0.00 0.00 177.00 176.05 1zbx s LEU 549 N 1.79 2.18 -0.94 -3.56 1.43 -0.46 -4.81 118.68 114.31 1zbx s LEU 549 Ca 0.43 -0.59 -0.10 0.00 -1.03 0.00 0.00 54.13 52.84 1zbx s LEU 549 Cb -0.18 -1.19 0.24 0.00 0.03 0.00 0.00 46.19 45.09 1zbx s LEU 549 CO 0.17 0.22 0.89 -1.59 0.23 0.00 0.00 176.35 176.27 1zbx s LYS 550 N -1.29 3.75 -0.39 1.70 0.00 -1.26 -0.96 119.74 121.30 1zbx s LYS 550 Ca 0.11 -2.86 0.04 0.00 0.00 0.00 0.00 55.97 53.26 1zbx s LYS 550 Cb -0.10 -4.39 0.16 0.00 0.00 0.00 0.00 37.83 33.50 1zbx s LYS 550 CO 0.02 -1.26 0.41 0.00 0.00 0.00 0.00 175.35 174.53 1zbx s ALA 551 N -0.58 -0.48 0.40 0.59 0.00 -1.26 -5.00 121.76 115.42 1zbx s ALA 551 Ca 0.24 -1.03 0.07 0.00 0.00 0.00 0.00 51.96 51.24 1zbx s ALA 551 Cb -0.10 -2.10 0.84 0.00 0.00 0.00 0.00 23.12 21.75 1zbx s ALA 551 CO -0.08 -2.15 2.03 0.87 0.00 0.00 0.00 175.76 176.43 1zbx h LYS 552 N 6.76 0.50 -0.07 0.00 1.79 -2.00 -3.03 116.57 120.52 1zbx h LYS 552 Ca 0.07 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 1zbx h LYS 552 Cb 1.05 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.60 1zbx h LYS 552 CO 0.19 0.37 -0.10 1.15 -1.08 0.00 0.00 179.45 179.99 1zbx h THR 553 N 0.51 1.39 -0.18 -0.16 2.02 -1.96 -2.71 112.91 111.82 1zbx h THR 553 Ca 0.13 -1.32 0.04 0.00 0.77 0.00 0.00 66.41 66.04 1zbx h THR 553 Cb 0.01 2.10 -0.05 0.00 -1.74 0.00 0.00 68.15 68.48 1zbx h THR 553 CO -0.02 0.37 -0.10 0.25 0.37 0.00 0.00 175.52 176.38 1zbx h LEU 554 N -0.27 -0.34 -0.46 2.58 5.85 -1.83 -1.27 115.31 119.58 1zbx h LEU 554 Ca 0.01 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1zbx h LEU 554 Cb 0.64 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1zbx h LEU 554 CO 0.02 -0.14 0.00 0.49 -0.34 0.00 0.00 178.44 178.48 1zbx n PHE 555 N -5.26 0.62 0.09 1.25 3.01 -1.16 -1.59 117.46 114.42 1zbx n PHE 555 Ca -0.02 0.23 -0.17 0.00 1.01 0.00 0.00 57.45 58.50 1zbx n PHE 555 Cb 0.18 -0.88 -0.11 0.00 -0.01 0.00 0.00 39.48 38.66 1zbx n PHE 555 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1zbx h LYS 556 N 0.00 0.41 -0.00 -1.08 3.64 -0.90 -3.37 116.57 115.27 1zbx h LYS 556 Ca 0.00 -0.56 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1zbx h LYS 556 Cb 0.38 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1zbx h LYS 556 CO 0.00 1.23 -0.72 1.19 -2.27 0.00 0.00 179.45 178.87 1zbx n PHE 557 N -3.67 0.00 -3.79 1.91 3.01 -0.99 -5.00 117.46 108.93 1zbx n PHE 557 Ca -0.09 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.00 1zbx n PHE 557 Cb 0.96 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.36 1zbx n PHE 557 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1zbx n LYS 559 N 2.34 0.97 -4.16 0.00 5.02 0.12 -4.89 118.16 117.56 1zbx n LYS 559 Ca -0.18 0.38 -0.13 0.00 -2.02 0.00 0.00 58.31 56.36 1zbx n LYS 559 Cb 0.54 -2.37 -0.11 0.00 -0.02 0.00 0.00 35.03 33.07 1zbx n LYS 559 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1zbx s GLN 560 N -3.15 0.81 0.25 1.97 -0.21 -1.26 -4.57 119.66 113.49 1zbx s GLN 560 Ca 0.80 -1.15 0.03 0.00 0.02 0.00 0.00 55.36 55.06 1zbx s GLN 560 Cb -0.39 -0.43 -0.05 0.00 1.00 0.00 0.00 33.01 33.13 1zbx s GLN 560 CO 0.43 0.06 0.04 0.96 -2.12 0.00 0.00 175.29 174.65 1zbx s ILE 561 N -2.57 0.89 -0.04 1.08 -4.36 -0.78 -4.87 121.20 110.55 1zbx s ILE 561 Ca 0.05 -2.01 -0.17 0.00 -0.26 0.00 0.00 60.65 58.25 1zbx s ILE 561 Cb -0.02 -2.48 -0.05 0.00 1.25 0.00 0.00 42.46 41.15 1zbx s ILE 561 CO -0.01 -0.19 0.47 -0.54 0.24 0.00 0.00 174.94 174.91 1zbx s LYS 562 N -3.92 4.17 0.01 0.37 -0.14 -1.26 -1.28 119.74 117.68 1zbx s LYS 562 Ca 0.32 0.50 -0.02 0.00 -1.36 0.00 0.00 55.97 55.41 1zbx s LYS 562 Cb 0.07 -3.33 -0.01 0.00 -1.68 0.00 0.00 37.83 32.88 1zbx s LYS 562 CO 0.11 0.43 0.02 0.21 -0.76 0.00 0.00 175.35 175.36 1zbx s LYS 563 N -0.28 0.31 -0.22 1.68 2.47 0.11 -4.96 119.74 118.85 1zbx s LYS 563 Ca 0.26 -0.44 -0.09 0.00 -1.56 0.00 0.00 55.97 54.14 1zbx s LYS 563 Cb -0.16 0.12 -0.04 0.00 -1.46 0.00 0.00 37.83 36.28 1zbx s LYS 563 CO 0.13 -0.06 0.11 0.15 0.16 0.00 0.00 175.35 175.84 1zbx s LYS 564 N -1.17 4.00 0.23 4.03 1.02 -1.26 -1.13 119.74 125.45 1zbx s LYS 564 Ca -0.13 -0.32 0.04 0.00 0.02 0.00 0.00 55.97 55.59 1zbx s LYS 564 Cb -0.08 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 1zbx s LYS 564 CO -0.00 0.13 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.47 1zbx s PHE 565 N 0.80 1.61 0.07 3.18 0.40 -0.87 -4.34 117.98 118.84 1zbx s PHE 565 Ca 0.06 -0.85 -0.20 0.00 -0.60 0.00 0.00 56.93 55.34 1zbx s PHE 565 Cb -0.13 -0.91 -0.07 0.00 0.51 0.00 0.00 43.02 42.42 1zbx s PHE 565 CO 0.02 0.05 0.59 -0.51 0.70 0.00 0.00 175.22 176.07 1zbx s LEU 566 N -3.32 4.52 -0.57 -0.37 1.43 0.27 -1.61 118.68 119.03 1zbx s LEU 566 Ca 0.27 1.28 -0.16 0.00 -1.03 0.00 0.00 54.13 54.49 1zbx s LEU 566 Cb 0.05 -2.93 0.14 0.00 0.03 0.00 0.00 46.19 43.47 1zbx s LEU 566 CO 0.08 0.25 0.55 -0.60 0.23 0.00 0.00 176.35 176.86 1zbx s ARG 567 N -1.01 3.06 1.06 1.70 3.52 -0.00 -0.84 118.95 126.43 1zbx s ARG 567 Ca 0.30 -1.75 -0.18 0.00 -0.13 0.00 0.00 55.73 53.97 1zbx s ARG 567 Cb -0.20 -4.31 0.25 0.00 -1.56 0.00 0.00 34.95 29.13 1zbx s ARG 567 CO 0.19 -1.35 1.29 0.20 -0.81 0.00 0.00 175.30 174.82 1zbx s GLY 568 N 3.47 1.76 0.00 8.12 0.00 -1.06 -4.95 107.32 114.66 1zbx s GLY 568 Ca 0.05 -1.25 0.25 0.00 0.00 0.00 0.00 44.72 43.77 1zbx s GLY 568 CO 0.02 -0.39 1.78 0.00 0.00 0.00 0.00 173.10 174.51 1zbx n ALA 569 N -4.14 2.59 0.10 3.20 0.00 -1.26 -2.84 120.51 118.16 1zbx n ALA 569 Ca 0.16 -0.35 0.11 0.00 0.00 0.00 0.00 53.44 53.36 1zbx n ALA 569 Cb 0.59 -1.24 0.28 0.00 0.00 0.00 0.00 19.45 19.08 1zbx n ALA 569 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1zbx n ASP 570 N -0.22 3.41 -1.64 0.00 5.68 -1.26 -4.93 116.55 117.59 1zbx n ASP 570 Ca 0.18 -1.98 -0.18 0.00 -0.50 0.00 0.00 54.79 52.31 1zbx n ASP 570 Cb 0.24 -0.37 -0.05 0.00 -1.14 0.00 0.00 41.12 39.80 1zbx n ASP 570 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1zbx n PHE 571 N 1.39 -0.33 -4.21 2.11 3.01 -1.13 -5.00 117.46 113.30 1zbx n PHE 571 Ca 0.21 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.40 1zbx n PHE 571 Cb 0.56 -3.27 -0.06 0.00 -0.01 0.00 0.00 39.48 36.70 1zbx n PHE 571 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1zbx s LYS 572 N -4.06 2.22 -0.07 -1.08 1.02 -1.26 -4.97 119.74 111.54 1zbx s LYS 572 Ca 0.00 -2.01 -0.03 0.00 0.02 0.00 0.00 55.97 53.95 1zbx s LYS 572 Cb 0.00 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 35.36 1zbx s LYS 572 CO 0.00 -0.29 0.07 -0.51 -0.92 0.00 0.00 175.35 173.70 1zbx s LEU 573 N -3.99 3.94 0.21 3.17 1.43 -1.26 -2.55 118.68 119.63 1zbx s LEU 573 Ca 0.32 0.25 0.05 0.00 -1.03 0.00 0.00 54.13 53.72 1zbx s LEU 573 Cb 0.02 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 1zbx s LEU 573 CO 0.18 0.36 -0.07 -1.00 0.23 0.00 0.00 176.35 176.05 1zbx s HIS 574 N -1.03 1.57 0.62 0.29 3.76 -0.02 -4.17 115.29 116.32 1zbx s HIS 574 Ca 0.17 -0.77 -0.19 0.00 -0.15 0.00 0.00 55.06 54.11 1zbx s HIS 574 Cb -0.12 -0.85 -0.02 0.00 1.11 0.00 0.00 32.58 32.70 1zbx s HIS 574 CO 0.06 0.12 1.27 2.41 -0.85 0.00 0.00 174.74 177.75 1zbx n THR 575 N -0.38 4.55 0.00 1.30 -1.04 -1.26 -0.56 114.28 116.88 1zbx n THR 575 Ca -0.07 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.44 1zbx n THR 575 Cb 0.62 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 1zbx n THR 575 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1zbx n LEU 576 N -1.54 0.00 -3.99 -4.42 7.94 -1.26 -4.38 117.00 109.35 1zbx n LEU 576 Ca 0.14 0.23 -0.05 0.00 -1.11 0.00 0.00 56.01 55.22 1zbx n LEU 576 Cb 0.47 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.40 1zbx n LEU 576 CO 0.49 0.00 0.80 -2.65 -1.11 0.00 0.00 177.39 174.91 1zbx n PRO 577 N -0.30 0.01 -1.66 1.96 -0.02 -1.26 -4.76 135.00 128.97 1zbx n PRO 577 Ca 0.00 -0.20 -0.21 0.00 -2.02 0.00 0.00 63.50 61.08 1zbx n PRO 577 Cb 0.00 -1.32 -0.08 0.00 -0.02 0.00 0.00 33.50 32.07 1zbx n PRO 577 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1zbx n MET 589 N 4.55 -1.44 -3.89 -0.52 2.00 -1.26 -5.11 117.12 111.45 1zbx n MET 589 Ca 0.07 1.20 -0.34 0.00 0.00 0.00 0.00 57.70 58.63 1zbx n MET 589 Cb 0.37 -5.60 -0.05 0.00 0.00 0.00 0.00 33.22 27.94 1zbx n MET 589 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1zbx s THR 590 N -2.78 5.45 -0.02 2.03 2.01 -1.26 -0.82 115.64 120.24 1zbx s THR 590 Ca 0.00 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 61.96 1zbx s THR 590 Cb 0.00 -3.51 0.01 0.00 0.01 0.00 0.00 72.50 69.01 1zbx s THR 590 CO 0.00 0.40 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.58 1zbx s VAL 591 N -1.25 0.52 -0.56 3.82 1.01 -0.63 -4.93 120.40 118.37 1zbx s VAL 591 Ca 0.24 -0.21 -0.19 0.00 0.00 0.00 0.00 61.98 61.82 1zbx s VAL 591 Cb -0.13 -0.48 0.08 0.00 0.00 0.00 0.00 36.38 35.85 1zbx s VAL 591 CO 0.15 0.18 0.69 -0.22 0.00 0.00 0.00 175.10 175.90 1zbx s LEU 592 N 0.30 5.16 -0.02 3.92 2.96 -1.26 -2.04 118.68 127.70 1zbx s LEU 592 Ca -0.04 -1.19 0.06 0.00 -0.22 0.00 0.00 54.13 52.75 1zbx s LEU 592 Cb -0.08 -2.37 -0.02 0.00 0.50 0.00 0.00 46.19 44.22 1zbx s LEU 592 CO -0.00 -1.04 -0.20 0.00 -1.32 0.00 0.00 176.35 173.79 1zbx s SER 594 N -0.83 6.96 0.32 0.00 1.04 -1.26 -0.71 113.70 119.23 1zbx s SER 594 Ca 0.11 1.15 -0.15 0.00 0.48 0.00 0.00 55.95 57.54 1zbx s SER 594 Cb -0.10 -2.32 0.03 0.00 0.10 0.00 0.00 66.02 63.73 1zbx s SER 594 CO 0.01 0.28 0.68 0.00 0.98 0.00 0.00 173.24 175.18 1zbx s VAL 596 N -3.21 5.02 -0.12 0.00 1.01 0.14 -1.86 120.40 121.38 1zbx s VAL 596 Ca 0.17 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.11 1zbx s VAL 596 Cb -0.04 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1zbx s VAL 596 CO 0.11 0.49 0.18 -2.84 0.00 0.00 0.00 175.10 173.04 1zbx s PRO 597 N 0.02 3.64 -0.06 2.72 0.02 -1.26 -0.91 135.00 139.17 1zbx s PRO 597 Ca 0.07 -0.06 0.00 0.00 0.02 0.00 0.00 61.00 61.04 1zbx s PRO 597 Cb -0.12 -3.24 0.02 0.00 0.02 0.00 0.00 34.50 31.19 1zbx s PRO 597 CO 0.00 0.68 -0.05 0.96 -0.33 0.00 0.00 177.00 178.27 1zbx s ILE 598 N -0.78 0.63 -0.27 2.83 -4.36 -0.52 -4.81 121.20 113.91 1zbx s ILE 598 Ca 0.15 -0.13 -0.26 0.00 -0.26 0.00 0.00 60.65 60.16 1zbx s ILE 598 Cb -0.13 -0.67 0.00 0.00 1.25 0.00 0.00 42.46 42.92 1zbx s ILE 598 CO 0.04 0.26 0.88 -0.22 0.24 0.00 0.00 174.94 176.15 1zbx s LEU 599 N 1.21 4.06 0.00 0.37 2.96 -1.26 -1.64 118.68 124.38 1zbx s LEU 599 Ca -0.06 0.97 -0.06 0.00 -0.22 0.00 0.00 54.13 54.77 1zbx s LEU 599 Cb -0.14 -3.26 0.14 0.00 0.50 0.00 0.00 46.19 43.44 1zbx s LEU 599 CO -0.02 -0.62 0.92 0.18 -1.32 0.00 0.00 176.35 175.49 1zbx n LEU 600 N 6.24 0.00 0.08 -0.68 4.77 -1.16 -4.94 117.00 121.31 1zbx n LEU 600 Ca 0.07 -1.50 -0.13 0.00 -0.03 0.00 0.00 56.01 54.42 1zbx n LEU 600 Cb 0.47 -0.65 -0.13 0.00 -2.33 0.00 0.00 43.42 40.78 1zbx n LEU 600 CO 0.51 -1.05 -0.06 0.44 -1.33 0.00 0.00 177.39 175.90 1zbx h ASP 601 N -0.87 0.27 0.03 -1.43 3.32 -1.92 -2.89 116.42 112.94 1zbx h ASP 601 Ca -0.30 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.44 1zbx h ASP 601 Cb 0.98 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1zbx h ASP 601 CO 0.27 1.25 0.00 -0.67 -1.72 0.00 0.00 179.24 178.37 1zbx n ASP 602 N -3.44 0.24 0.00 6.45 2.03 -1.26 -4.78 116.55 115.79 1zbx n ASP 602 Ca -0.08 0.61 0.00 0.00 0.52 0.00 0.00 54.79 55.84 1zbx n ASP 602 Cb 1.00 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 1zbx n ASP 602 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zbx n GLN 603 N -1.82 0.00 -2.73 -0.67 1.13 -1.09 -4.99 117.38 107.22 1zbx n GLN 603 Ca -0.00 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.65 1zbx n GLN 603 Cb 0.02 -2.66 -0.06 0.00 0.11 0.00 0.00 30.24 27.66 1zbx n GLN 603 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1zbx s THR 604 N -2.89 4.12 -0.02 5.09 -4.23 -1.26 -4.76 115.64 111.68 1zbx s THR 604 Ca 0.00 2.05 -0.20 0.00 -1.18 0.00 0.00 61.69 62.35 1zbx s THR 604 Cb 0.00 -4.30 -0.05 0.00 1.34 0.00 0.00 72.50 69.49 1zbx s THR 604 CO 0.00 0.45 0.58 -0.69 -0.54 0.00 0.00 174.62 174.42 1zbx s VAL 605 N -0.92 4.96 -0.10 2.29 1.01 -1.26 -2.99 120.40 123.39 1zbx s VAL 605 Ca 0.43 1.20 -0.02 0.00 0.00 0.00 0.00 61.98 63.59 1zbx s VAL 605 Cb -0.26 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1zbx s VAL 605 CO 0.32 0.40 -0.02 -1.58 0.00 0.00 0.00 175.10 174.22 1zbx s GLN 606 N -0.06 3.13 -0.12 2.72 2.00 -0.65 -4.95 119.66 121.72 1zbx s GLN 606 Ca 0.30 -0.47 -0.03 0.00 -2.00 0.00 0.00 55.36 53.17 1zbx s GLN 606 Cb -0.18 -2.79 -0.03 0.00 0.80 0.00 0.00 33.01 30.82 1zbx s GLN 606 CO 0.16 0.57 -0.03 0.71 -0.50 0.00 0.00 175.29 176.20 1zbx s TYR 607 N -0.52 3.05 -0.16 1.67 1.51 -1.26 -1.44 117.35 120.20 1zbx s TYR 607 Ca 0.09 -0.10 -0.00 0.00 -1.01 0.00 0.00 57.07 56.04 1zbx s TYR 607 Cb -0.12 -1.87 -0.00 0.00 -0.11 0.00 0.00 41.96 39.85 1zbx s TYR 607 CO 0.02 0.17 -0.14 -0.51 -1.11 0.00 0.00 175.55 173.98 1zbx s LEU 608 N -0.17 2.57 0.21 -1.29 1.43 -0.09 0.33 118.68 121.67 1zbx s LEU 608 Ca 0.04 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 52.80 1zbx s LEU 608 Cb -0.13 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 1zbx s LEU 608 CO 0.02 0.09 -0.18 -0.72 0.23 0.00 0.00 176.35 175.80 1zbx s TYR 609 N 0.80 1.92 -0.21 0.29 -0.85 -0.86 0.27 117.35 118.70 1zbx s TYR 609 Ca -0.05 -0.47 -0.29 0.00 -0.52 0.00 0.00 57.07 55.74 1zbx s TYR 609 Cb -0.15 -0.90 -0.02 0.00 0.38 0.00 0.00 41.96 41.27 1zbx s TYR 609 CO 0.00 0.44 1.47 0.34 -1.52 0.00 0.00 175.55 176.28 1zbx s ASP 610 N -3.11 6.60 0.00 -0.18 -1.08 -1.26 -1.36 116.67 116.28 1zbx s ASP 610 Ca 0.22 1.58 0.28 0.00 -0.52 0.00 0.00 52.55 54.11 1zbx s ASP 610 Cb -0.04 -2.54 1.33 0.00 -1.46 0.00 0.00 42.92 40.22 1zbx s ASP 610 CO 0.09 -1.08 1.94 -0.67 0.52 0.00 0.00 175.17 175.97 1zbx n ASP 611 N 7.73 0.00 -0.47 -0.34 2.03 -0.13 -2.93 116.55 122.44 1zbx n ASP 611 Ca 0.17 0.13 0.06 0.00 0.52 0.00 0.00 54.79 55.66 1zbx n ASP 611 Cb 0.45 -0.37 0.20 0.00 -0.72 0.00 0.00 41.12 40.68 1zbx n ASP 611 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1zbx n SER 612 N -1.37 1.36 -4.55 1.67 3.41 -1.26 -4.84 113.62 108.04 1zbx n SER 612 Ca 0.11 -1.90 -0.33 0.00 -0.26 0.00 0.00 58.87 56.49 1zbx n SER 612 Cb 0.26 -0.15 -0.12 0.00 -0.26 0.00 0.00 64.21 63.95 1zbx n SER 612 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1zbx s LEU 613 N -1.16 3.02 -0.19 1.04 1.43 -1.15 -5.11 118.68 116.56 1zbx s LEU 613 Ca 0.21 -0.09 -0.07 0.00 -1.03 0.00 0.00 54.13 53.15 1zbx s LEU 613 Cb 0.11 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1zbx s LEU 613 CO 0.16 0.35 0.05 -1.61 0.23 0.00 0.00 176.35 175.53 1zbx s GLU 614 N -0.83 3.87 0.00 1.70 0.41 -1.26 -5.05 118.70 117.54 1zbx s GLU 614 Ca 0.12 -0.40 0.25 0.00 -0.41 0.00 0.00 54.97 54.54 1zbx s GLU 614 Cb -0.11 -3.19 0.40 0.00 -1.78 0.00 0.00 34.13 29.46 1zbx s GLU 614 CO 0.02 0.18 1.38 0.72 -0.49 0.00 0.00 175.26 177.07