#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dq8 h ALA 459 N 0.00 1.74 0.00 4.61 0.00 -1.94 0.77 119.26 124.43 1dq8 h ALA 459 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1dq8 h ALA 459 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1dq8 h ALA 459 CO 0.00 -0.18 0.00 -0.22 0.00 0.00 0.00 179.25 178.85 1dq8 h LYS 460 N 0.66 0.00 -0.00 0.00 3.64 -1.99 -2.39 116.57 116.49 1dq8 h LYS 460 Ca 0.62 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.00 1dq8 h LYS 460 Cb 1.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1dq8 h LYS 460 CO -0.44 0.00 -0.16 1.19 -2.27 0.00 0.00 179.45 177.78 1dq8 n PHE 461 N -3.05 0.00 -4.14 1.91 3.01 0.26 -4.82 117.46 110.63 1dq8 n PHE 461 Ca -0.01 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.20 1dq8 n PHE 461 Cb 0.18 -0.39 -0.06 0.00 -0.01 0.00 0.00 39.48 39.21 1dq8 n PHE 461 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1dq8 s LEU 462 N -2.93 3.63 0.60 4.37 1.43 -0.90 -5.08 118.68 119.80 1dq8 s LEU 462 Ca 0.15 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1dq8 s LEU 462 Cb 0.19 -2.23 0.04 0.00 0.03 0.00 0.00 46.19 44.21 1dq8 s LEU 462 CO 0.57 0.04 0.86 -0.94 0.23 0.00 0.00 176.35 177.12 1dq8 s SER 463 N -3.28 5.22 0.24 2.29 1.04 -1.26 -4.92 113.70 113.03 1dq8 s SER 463 Ca 0.31 0.27 -0.06 0.00 0.48 0.00 0.00 55.95 56.94 1dq8 s SER 463 Cb -0.09 -1.13 0.27 0.00 0.10 0.00 0.00 66.02 65.18 1dq8 s SER 463 CO 0.22 -1.24 1.89 0.44 0.98 0.00 0.00 173.24 175.53 1dq8 h ASP 464 N -0.16 0.99 -0.41 7.02 5.19 -1.99 -0.68 116.42 126.38 1dq8 h ASP 464 Ca -0.44 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 55.89 1dq8 h ASP 464 Cb 1.29 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.56 1dq8 h ASP 464 CO 0.57 0.68 -0.01 0.00 -3.12 0.00 0.00 179.24 177.36 1dq8 h ALA 465 N 1.37 1.07 -0.34 3.45 0.00 -1.99 0.02 119.26 122.84 1dq8 h ALA 465 Ca 0.36 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1dq8 h ALA 465 Cb -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1dq8 h ALA 465 CO -0.11 0.58 -0.30 0.93 0.00 0.00 0.00 179.25 180.35 1dq8 h GLU 466 N 0.76 0.72 -0.38 0.00 5.08 -1.71 0.06 114.58 119.11 1dq8 h GLU 466 Ca 0.15 -0.32 -0.12 0.00 -1.00 0.00 0.00 59.36 58.07 1dq8 h GLU 466 Cb 0.47 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1dq8 h GLU 466 CO 0.02 0.93 -0.21 0.82 -1.00 0.00 0.00 179.01 179.57 1dq8 h ILE 467 N 0.61 1.28 -0.41 3.13 2.04 -0.73 -1.27 117.51 122.17 1dq8 h ILE 467 Ca 0.07 -1.35 -0.02 0.00 1.00 0.00 0.00 64.86 64.56 1dq8 h ILE 467 Cb 0.82 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1dq8 h ILE 467 CO 0.07 0.45 0.18 0.40 0.00 0.00 0.00 178.15 179.25 1dq8 h ILE 468 N 0.61 1.19 0.00 -0.67 2.04 -0.83 0.23 117.51 120.08 1dq8 h ILE 468 Ca 0.08 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 1dq8 h ILE 468 Cb 0.77 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1dq8 h ILE 468 CO 0.06 0.21 -0.18 -0.61 0.00 0.00 0.00 178.15 177.63 1dq8 h GLN 469 N 0.52 0.00 0.14 2.37 4.15 -0.86 -1.07 115.11 120.37 1dq8 h GLN 469 Ca 0.14 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.26 1dq8 h GLN 469 Cb 0.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1dq8 h GLN 469 CO -0.01 0.18 -1.42 1.25 -1.93 0.00 0.00 178.83 176.90 1dq8 h LEU 470 N 0.00 0.47 -0.39 -2.39 5.85 -0.63 -0.73 115.31 117.50 1dq8 h LEU 470 Ca -0.00 -0.57 -0.09 0.00 0.84 0.00 0.00 57.88 58.06 1dq8 h LEU 470 Cb 0.35 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1dq8 h LEU 470 CO 0.02 1.46 -0.10 0.58 -0.34 0.00 0.00 178.44 180.06 1dq8 h VAL 471 N 0.08 1.28 -0.15 1.05 2.07 -0.09 -2.87 116.25 117.62 1dq8 h VAL 471 Ca -0.21 -1.19 -0.18 0.00 0.82 0.00 0.00 66.70 65.94 1dq8 h VAL 471 Cb 2.02 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1dq8 h VAL 471 CO 0.19 0.40 -0.66 0.78 0.02 0.00 0.00 177.57 178.30 1dq8 h ASN 472 N 0.56 0.68 0.00 0.57 2.35 -1.31 0.14 115.58 118.56 1dq8 h ASN 472 Ca 0.10 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1dq8 h ASN 472 Cb 0.63 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1dq8 h ASN 472 CO 0.04 1.15 0.00 0.00 -1.65 0.00 0.00 177.43 176.97 1dq8 n ALA 473 N -2.54 -0.14 -1.30 -0.83 0.00 -0.28 -3.04 120.51 112.38 1dq8 n ALA 473 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 1dq8 n ALA 473 Cb 0.67 0.23 0.17 0.00 0.00 0.00 0.00 19.45 20.51 1dq8 n ALA 473 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1dq8 n LYS 474 N -1.92 2.27 -3.38 0.00 2.85 -1.10 -4.99 118.16 111.88 1dq8 n LYS 474 Ca 0.00 -3.10 -0.22 0.00 -1.05 0.00 0.00 58.31 53.94 1dq8 n LYS 474 Cb 0.00 -2.14 0.01 0.00 -0.65 0.00 0.00 35.03 32.26 1dq8 n LYS 474 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1dq8 n HIS 475 N -1.11 -2.71 -3.25 5.58 8.25 -0.82 -4.97 115.22 116.19 1dq8 n HIS 475 Ca 0.56 1.10 -0.39 0.00 -0.26 0.00 0.00 57.72 58.72 1dq8 n HIS 475 Cb 1.42 -2.96 -0.07 0.00 1.12 0.00 0.00 29.99 29.51 1dq8 n HIS 475 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1dq8 s ILE 476 N -2.43 5.11 0.15 1.59 -1.09 0.42 -4.98 121.20 119.96 1dq8 s ILE 476 Ca 0.17 0.94 -0.08 0.00 -2.23 0.00 0.00 60.65 59.45 1dq8 s ILE 476 Cb -0.03 -3.84 0.20 0.00 -1.58 0.00 0.00 42.46 37.22 1dq8 s ILE 476 CO 0.84 0.18 0.94 -2.65 -1.23 0.00 0.00 174.94 173.02 1dq8 n PRO 477 N 4.80 -0.11 0.00 2.79 -0.02 -1.26 -4.83 135.00 136.37 1dq8 n PRO 477 Ca -0.05 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1dq8 n PRO 477 Cb 0.50 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 1dq8 n PRO 477 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dq8 n ALA 478 N -3.72 0.00 0.65 3.55 0.00 -1.26 -4.85 120.51 114.88 1dq8 n ALA 478 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.59 1dq8 n ALA 478 Cb 0.27 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.08 1dq8 n ALA 478 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1dq8 n TYR 479 N 0.00 0.00 0.72 0.00 0.18 -1.26 -1.87 117.16 114.93 1dq8 n TYR 479 Ca 0.00 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.90 1dq8 n TYR 479 Cb 0.00 -0.36 0.17 0.00 -0.38 0.00 0.00 39.34 38.77 1dq8 n TYR 479 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1dq8 n LYS 480 N -1.36 2.39 -0.28 -3.48 5.02 -1.26 -4.58 118.16 114.61 1dq8 n LYS 480 Ca 0.06 -2.05 0.24 0.00 -2.02 0.00 0.00 58.31 54.54 1dq8 n LYS 480 Cb 0.14 -1.49 0.57 0.00 -0.02 0.00 0.00 35.03 34.24 1dq8 n LYS 480 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1dq8 h LEU 481 N 4.51 0.31 -0.36 -0.35 3.38 -1.75 0.32 115.31 121.38 1dq8 h LEU 481 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1dq8 h LEU 481 Cb 0.97 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1dq8 h LEU 481 CO 0.00 0.09 0.00 -0.62 0.09 0.00 0.00 178.44 178.00 1dq8 n GLU 482 N -4.48 0.17 -0.02 1.13 4.71 -1.26 -1.30 120.64 119.59 1dq8 n GLU 482 Ca 0.23 0.31 -0.16 0.00 -0.01 0.00 0.00 57.16 57.53 1dq8 n GLU 482 Cb 0.89 -1.77 -0.12 0.00 -1.01 0.00 0.00 31.44 29.43 1dq8 n GLU 482 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 1dq8 h THR 483 N 0.00 1.57 0.00 2.62 2.02 -0.70 -3.40 112.91 115.02 1dq8 h THR 483 Ca 0.00 -2.11 0.00 0.00 0.77 0.00 0.00 66.41 65.07 1dq8 h THR 483 Cb 0.45 2.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.78 1dq8 h THR 483 CO 0.00 0.58 0.00 0.18 0.37 0.00 0.00 175.52 176.65 1dq8 n LEU 484 N -4.44 0.57 -4.60 2.58 4.32 -1.11 -4.87 117.00 109.45 1dq8 n LEU 484 Ca -0.10 0.56 -0.37 0.00 -0.02 0.00 0.00 56.01 56.08 1dq8 n LEU 484 Cb 0.56 -0.31 0.07 0.00 -1.62 0.00 0.00 43.42 42.12 1dq8 n LEU 484 CO 0.40 -0.31 0.49 -0.38 -1.22 0.00 0.00 177.39 176.38 1dq8 n ILE 485 N -1.42 3.29 -0.04 -0.08 5.41 -0.42 -4.74 119.36 121.36 1dq8 n ILE 485 Ca 0.00 -0.45 -0.17 0.00 1.00 0.00 0.00 62.75 63.13 1dq8 n ILE 485 Cb 0.00 -1.09 -0.13 0.00 -0.71 0.00 0.00 39.64 37.71 1dq8 n ILE 485 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 1dq8 h GLU 486 N 0.13 0.09 -6.28 0.38 4.11 -1.88 -3.44 114.58 107.69 1dq8 h GLU 486 Ca -0.48 -0.16 -0.56 0.00 0.07 0.00 0.00 59.36 58.22 1dq8 h GLU 486 Cb 1.35 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.62 1dq8 h GLU 486 CO 0.49 1.08 -0.08 0.99 0.07 0.00 0.00 179.01 181.56 1dq8 s THR 487 N -2.31 4.83 0.11 -1.06 2.01 -1.26 -5.00 115.64 112.96 1dq8 s THR 487 Ca -0.19 0.94 -0.18 0.00 0.31 0.00 0.00 61.69 62.57 1dq8 s THR 487 Cb -0.01 -3.78 -0.06 0.00 0.01 0.00 0.00 72.50 68.67 1dq8 s THR 487 CO 0.72 0.35 1.63 0.45 -0.69 0.00 0.00 174.62 177.08 1dq8 h HIS 488 N 3.89 0.43 -0.85 4.92 3.86 -1.96 -2.79 115.15 122.66 1dq8 h HIS 488 Ca -0.49 -0.04 0.05 0.00 -1.16 0.00 0.00 60.37 58.73 1dq8 h HIS 488 Cb 1.20 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 29.49 1dq8 h HIS 488 CO 0.66 0.45 0.55 1.49 0.86 0.00 0.00 177.93 181.95 1dq8 h GLU 489 N 0.29 0.97 -0.39 2.45 4.81 -1.94 -2.05 114.58 118.71 1dq8 h GLU 489 Ca 0.09 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 1dq8 h GLU 489 Cb 0.21 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1dq8 h GLU 489 CO -0.01 0.64 -0.25 -0.09 -0.73 0.00 0.00 179.01 178.57 1dq8 h ARG 490 N 1.00 0.80 -0.79 1.92 2.43 -1.94 0.12 114.38 117.92 1dq8 h ARG 490 Ca 0.35 -0.34 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1dq8 h ARG 490 Cb 0.12 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 1dq8 h ARG 490 CO -0.12 0.97 0.52 0.78 -1.51 0.00 0.00 179.97 180.61 1dq8 h GLY 491 N 0.95 1.10 1.24 2.80 0.00 -1.11 0.45 103.07 108.49 1dq8 h GLY 491 Ca 0.09 -0.38 -0.18 0.00 0.00 0.00 0.00 47.33 46.85 1dq8 h GLY 491 CO 0.06 0.33 -0.56 -2.08 0.00 0.00 0.00 176.54 174.30 1dq8 h VAL 492 N 0.97 1.29 -0.09 4.60 2.07 -0.97 -1.53 116.25 122.59 1dq8 h VAL 492 Ca 0.31 -1.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.07 1dq8 h VAL 492 Cb 0.04 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1dq8 h VAL 492 CO -0.09 0.57 0.05 -1.28 0.02 0.00 0.00 177.57 176.84 1dq8 h SER 493 N 0.61 0.11 -0.75 0.57 0.87 -0.11 -1.08 113.55 113.76 1dq8 h SER 493 Ca 0.01 -0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.45 1dq8 h SER 493 Cb 1.16 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.06 1dq8 h SER 493 CO 0.12 0.14 0.25 0.40 -0.53 0.00 0.00 176.83 177.21 1dq8 h ILE 494 N 0.06 1.26 -0.77 2.23 2.04 -0.91 -1.11 117.51 120.31 1dq8 h ILE 494 Ca 0.03 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1dq8 h ILE 494 Cb 0.06 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 1dq8 h ILE 494 CO -0.01 0.35 0.50 -0.09 0.00 0.00 0.00 178.15 178.90 1dq8 h ARG 495 N 1.11 1.02 -0.83 2.37 2.43 -1.07 0.17 114.38 119.58 1dq8 h ARG 495 Ca 0.24 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1dq8 h ARG 495 Cb 0.29 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 1dq8 h ARG 495 CO -0.01 0.69 0.55 0.00 -1.51 0.00 0.00 179.97 179.69 1dq8 h ARG 496 N 1.05 1.06 -0.18 0.20 3.08 -0.58 0.05 114.38 119.07 1dq8 h ARG 496 Ca 0.28 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 1dq8 h ARG 496 Cb -0.10 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.71 1dq8 h ARG 496 CO -0.06 0.70 -0.02 1.96 -1.07 0.00 0.00 179.97 181.48 1dq8 h GLN 497 N 1.10 0.33 0.06 0.04 4.20 -0.30 -0.56 115.11 119.98 1dq8 h GLN 497 Ca 0.31 -0.12 0.02 0.00 0.06 0.00 0.00 58.65 58.93 1dq8 h GLN 497 Cb -0.08 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1dq8 h GLN 497 CO -0.08 0.57 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.35 1dq8 h LEU 498 N 0.06 -0.66 -0.81 1.46 4.07 -0.34 -2.76 115.31 116.34 1dq8 h LEU 498 Ca 0.05 0.08 0.05 0.00 0.08 0.00 0.00 57.88 58.14 1dq8 h LEU 498 Cb 0.44 0.26 -0.06 0.00 1.08 0.00 0.00 40.66 42.38 1dq8 h LEU 498 CO 0.01 -0.31 0.50 0.25 -1.08 0.00 0.00 178.44 177.82 1dq8 h LEU 499 N -0.40 0.80 -1.40 1.67 5.85 -0.95 -2.85 115.31 118.03 1dq8 h LEU 499 Ca 0.04 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.90 1dq8 h LEU 499 Cb 0.44 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 1dq8 h LEU 499 CO -0.16 0.52 0.53 0.28 -0.34 0.00 0.00 178.44 179.27 1dq8 h SER 500 N 0.94 0.57 0.66 1.25 0.02 -0.79 -0.53 113.55 115.66 1dq8 h SER 500 Ca 0.35 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1dq8 h SER 500 Cb 0.13 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1dq8 h SER 500 CO -0.16 0.31 0.00 0.29 -1.14 0.00 0.00 176.83 176.14 1dq8 n LYS 501 N -4.52 0.03 -0.24 3.45 5.02 -1.08 -2.44 118.16 118.39 1dq8 n LYS 501 Ca 0.15 0.22 0.10 0.00 -2.02 0.00 0.00 58.31 56.75 1dq8 n LYS 501 Cb 0.43 -1.55 0.22 0.00 -0.02 0.00 0.00 35.03 34.12 1dq8 n LYS 501 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1dq8 n LYS 502 N -1.60 2.53 -4.07 1.97 5.02 -0.21 -4.99 118.16 116.81 1dq8 n LYS 502 Ca 0.04 -2.28 -0.32 0.00 -2.02 0.00 0.00 58.31 53.74 1dq8 n LYS 502 Cb 0.22 -1.45 -0.07 0.00 -0.02 0.00 0.00 35.03 33.71 1dq8 n LYS 502 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dq8 s LEU 503 N -1.15 3.89 0.42 -0.35 1.43 -1.02 -4.99 118.68 116.92 1dq8 s LEU 503 Ca 0.36 0.10 0.10 0.00 -1.03 0.00 0.00 54.13 53.66 1dq8 s LEU 503 Cb 0.20 -2.41 0.91 0.00 0.03 0.00 0.00 46.19 44.92 1dq8 s LEU 503 CO 0.27 0.23 2.01 0.77 0.23 0.00 0.00 176.35 179.85 1dq8 h SER 504 N 3.71 0.25 -3.66 2.29 4.64 -1.94 -3.33 113.55 115.51 1dq8 h SER 504 Ca -0.48 -0.03 -0.65 0.00 -0.47 0.00 0.00 61.79 60.16 1dq8 h SER 504 Cb 1.17 -0.06 -0.40 0.00 -0.31 0.00 0.00 62.40 62.80 1dq8 h SER 504 CO 0.65 0.29 -0.73 -0.70 -0.87 0.00 0.00 176.83 175.46 1dq8 s GLU 505 N -5.03 1.49 0.37 4.77 2.12 -1.26 -5.02 118.70 116.14 1dq8 s GLU 505 Ca -0.06 -1.77 0.13 0.00 0.36 0.00 0.00 54.97 53.63 1dq8 s GLU 505 Cb 0.16 -3.09 0.95 0.00 0.26 0.00 0.00 34.13 32.42 1dq8 s GLU 505 CO 0.72 -0.91 1.82 -1.35 -0.54 0.00 0.00 175.26 175.00 1dq8 h PRO 506 N 7.66 0.53 -0.63 4.30 0.11 -1.75 -2.22 132.00 139.99 1dq8 h PRO 506 Ca -0.06 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1dq8 h PRO 506 Cb 1.02 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1dq8 h PRO 506 CO 0.51 0.35 0.00 -1.13 -0.21 0.00 0.00 178.00 177.52 1dq8 n SER 507 N -4.60 3.98 0.24 -2.05 3.41 -1.26 -4.48 113.62 108.85 1dq8 n SER 507 Ca 0.21 -2.40 0.15 0.00 -0.26 0.00 0.00 58.87 56.57 1dq8 n SER 507 Cb 0.66 -0.53 0.82 0.00 -0.26 0.00 0.00 64.21 64.90 1dq8 n SER 507 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1dq8 h SER 508 N 3.23 0.00 0.12 4.04 4.64 -1.80 -0.77 113.55 123.02 1dq8 h SER 508 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dq8 h SER 508 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1dq8 h SER 508 CO 0.21 0.00 -0.20 0.18 -0.87 0.00 0.00 176.83 176.15 1dq8 n LEU 509 N -2.58 1.40 -0.34 5.97 4.77 -1.26 -4.44 117.00 120.53 1dq8 n LEU 509 Ca -0.02 -0.43 0.20 0.00 -0.03 0.00 0.00 56.01 55.72 1dq8 n LEU 509 Cb 0.08 -0.07 0.42 0.00 -2.33 0.00 0.00 43.42 41.52 1dq8 n LEU 509 CO 0.13 0.25 1.15 -0.61 -1.33 0.00 0.00 177.39 176.98 1dq8 h GLN 510 N 1.88 0.48 -0.64 3.23 4.15 -1.48 -0.36 115.11 122.37 1dq8 h GLN 510 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1dq8 h GLN 510 Cb 0.57 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1dq8 h GLN 510 CO 0.00 0.32 0.00 0.66 -1.93 0.00 0.00 178.83 177.88 1dq8 n TYR 511 N -4.94 0.85 -3.13 3.99 4.02 -1.26 -4.79 117.16 111.90 1dq8 n TYR 511 Ca 0.29 -0.42 -0.43 0.00 -0.01 0.00 0.00 57.90 57.32 1dq8 n TYR 511 Cb 0.83 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 40.09 1dq8 n TYR 511 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1dq8 s LEU 512 N -1.11 4.64 0.82 7.72 0.20 -0.15 -5.04 118.68 125.77 1dq8 s LEU 512 Ca 0.45 -0.53 -0.11 0.00 0.69 0.00 0.00 54.13 54.63 1dq8 s LEU 512 Cb 0.24 -2.62 0.09 0.00 -0.43 0.00 0.00 46.19 43.47 1dq8 s LEU 512 CO 0.32 -0.82 1.12 -2.84 -0.29 0.00 0.00 176.35 173.85 1dq8 s PRO 513 N 2.76 1.76 0.00 0.98 0.02 -1.26 -4.88 135.00 134.39 1dq8 s PRO 513 Ca 0.20 1.38 0.00 0.00 0.02 0.00 0.00 61.00 62.60 1dq8 s PRO 513 Cb -0.16 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1dq8 s PRO 513 CO 0.16 -2.05 0.00 2.48 -0.33 0.00 0.00 177.00 177.27 1dq8 n TYR 514 N -3.70 0.00 -1.58 6.54 0.18 -1.26 -1.91 117.16 115.42 1dq8 n TYR 514 Ca 0.11 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.58 1dq8 n TYR 514 Cb 0.52 0.00 0.07 0.00 -0.38 0.00 0.00 39.34 39.56 1dq8 n TYR 514 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1dq8 s ARG 515 N -0.68 2.42 -1.43 -3.48 0.52 -1.26 -4.19 118.95 110.85 1dq8 s ARG 515 Ca 0.00 0.73 -0.09 0.00 -0.52 0.00 0.00 55.73 55.86 1dq8 s ARG 515 Cb 0.00 -1.95 0.05 0.00 0.52 0.00 0.00 34.95 33.57 1dq8 s ARG 515 CO 0.00 -1.41 0.94 -0.25 0.02 0.00 0.00 175.30 174.60 1dq8 n ASP 516 N -3.30 -3.89 -3.91 0.23 8.00 -1.26 -4.99 116.55 107.43 1dq8 n ASP 516 Ca 0.07 -0.75 -0.17 0.00 0.71 0.00 0.00 54.79 54.66 1dq8 n ASP 516 Cb 0.55 -4.17 -0.15 0.00 -0.02 0.00 0.00 41.12 37.33 1dq8 n ASP 516 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1dq8 s TYR 517 N -3.41 0.45 -0.73 1.24 5.04 -1.26 -5.09 117.35 113.60 1dq8 s TYR 517 Ca 0.43 -0.08 -0.26 0.00 -2.44 0.00 0.00 57.07 54.72 1dq8 s TYR 517 Cb -0.21 -0.37 -0.03 0.00 0.35 0.00 0.00 41.96 41.70 1dq8 s TYR 517 CO 0.80 -0.06 1.90 1.21 -1.34 0.00 0.00 175.55 178.06 1dq8 s ASN 518 N 0.32 5.20 0.16 4.32 3.84 -1.26 -4.82 114.94 122.71 1dq8 s ASN 518 Ca -0.03 -0.06 0.25 0.00 0.21 0.00 0.00 52.86 53.23 1dq8 s ASN 518 Cb -0.07 -2.54 0.48 0.00 -0.55 0.00 0.00 41.25 38.57 1dq8 s ASN 518 CO -0.00 -2.54 1.47 1.88 -2.79 0.00 0.00 177.10 175.12 1dq8 h TYR 519 N 13.55 0.00 -1.00 0.43 -1.99 -1.97 -3.35 116.97 122.64 1dq8 h TYR 519 Ca -0.12 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.62 1dq8 h TYR 519 Cb 1.10 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.78 1dq8 h TYR 519 CO 1.11 0.00 0.66 0.66 -0.00 0.00 0.00 178.16 180.59 1dq8 h SER 520 N 0.00 1.14 0.91 3.88 4.64 -1.91 0.16 113.55 122.37 1dq8 h SER 520 Ca 0.00 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 1dq8 h SER 520 Cb 0.76 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1dq8 h SER 520 CO 0.00 0.82 -0.40 -0.07 -0.87 0.00 0.00 176.83 176.31 1dq8 h LEU 521 N 1.34 0.00 0.03 5.97 4.07 -1.98 -3.34 115.31 121.41 1dq8 h LEU 521 Ca 0.37 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 58.18 1dq8 h LEU 521 Cb -0.14 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 1dq8 h LEU 521 CO -0.08 0.40 -0.77 0.58 -1.08 0.00 0.00 178.44 177.49 1dq8 h VAL 522 N 0.00 1.31 -3.94 1.22 2.07 -1.49 -3.40 116.25 112.02 1dq8 h VAL 522 Ca -0.00 -2.31 -0.54 0.00 0.82 0.00 0.00 66.70 64.67 1dq8 h VAL 522 Cb 0.97 2.82 0.10 0.00 -1.52 0.00 0.00 31.29 33.66 1dq8 h VAL 522 CO 0.05 0.52 0.75 -0.04 0.02 0.00 0.00 177.57 178.87 1dq8 s MET 523 N -2.33 4.07 0.00 1.57 -1.94 0.47 -1.02 119.30 120.12 1dq8 s MET 523 Ca -0.23 2.50 0.00 0.00 -1.71 0.00 0.00 55.69 56.25 1dq8 s MET 523 Cb 0.02 -2.93 0.00 0.00 2.01 0.00 0.00 34.83 33.93 1dq8 s MET 523 CO 0.67 -0.53 0.00 0.41 -0.01 0.00 0.00 175.02 175.56 1dq8 n GLY 524 N 0.52 0.23 0.27 -0.03 0.00 -1.26 -4.67 105.19 100.25 1dq8 n GLY 524 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1dq8 n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dq8 n ALA 525 N 1.00 1.35 -0.00 4.61 0.00 -1.03 -5.03 120.51 121.41 1dq8 n ALA 525 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1dq8 n ALA 525 Cb 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.72 1dq8 n ALA 525 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dq8 s GLU 528 N -2.29 1.22 -1.38 0.00 8.01 -1.26 -4.35 118.70 118.65 1dq8 s GLU 528 Ca -0.05 -1.54 -0.04 0.00 0.01 0.00 0.00 54.97 53.35 1dq8 s GLU 528 Cb -0.00 -0.91 0.03 0.00 -4.31 0.00 0.00 34.13 28.93 1dq8 s GLU 528 CO -0.00 0.14 0.77 -1.71 0.01 0.00 0.00 175.26 174.46 1dq8 n ASN 529 N -0.31 -2.24 -4.75 -0.19 5.15 -1.26 -4.88 115.26 106.78 1dq8 n ASN 529 Ca -0.09 -0.82 -0.41 0.00 -0.60 0.00 0.00 54.58 52.66 1dq8 n ASN 529 Cb 0.60 -3.94 -0.03 0.00 -0.53 0.00 0.00 39.78 35.88 1dq8 n ASN 529 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1dq8 s VAL 530 N -3.58 3.10 0.00 3.44 1.01 -1.26 -4.94 120.40 118.18 1dq8 s VAL 530 Ca 0.21 1.00 0.00 0.00 0.00 0.00 0.00 61.98 63.19 1dq8 s VAL 530 Cb -0.10 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1dq8 s VAL 530 CO 0.82 0.20 0.58 2.30 0.00 0.00 0.00 175.10 178.99 1dq8 n ILE 531 N 1.77 0.33 -0.63 2.22 -5.35 -1.26 -4.67 119.36 111.77 1dq8 n ILE 531 Ca 0.03 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 1dq8 n ILE 531 Cb 0.43 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 1dq8 n ILE 531 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dq8 n GLY 532 N -0.16 0.24 3.14 3.28 0.00 -1.26 -4.79 105.19 105.64 1dq8 n GLY 532 Ca 0.00 -1.34 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 1dq8 n GLY 532 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dq8 s TYR 533 N -3.65 0.13 -0.27 1.61 -0.85 -0.80 -4.96 117.35 108.56 1dq8 s TYR 533 Ca 0.00 -0.39 -0.05 0.00 -0.52 0.00 0.00 57.07 56.11 1dq8 s TYR 533 Cb 0.00 -0.09 0.01 0.00 0.38 0.00 0.00 41.96 42.26 1dq8 s TYR 533 CO 0.00 -0.39 0.02 1.41 -1.52 0.00 0.00 175.55 175.07 1dq8 s MET 534 N -2.54 3.07 -0.10 -3.49 -2.45 -1.26 -4.19 119.30 108.33 1dq8 s MET 534 Ca -0.05 -0.85 -0.30 0.00 -1.25 0.00 0.00 55.69 53.24 1dq8 s MET 534 Cb -0.01 -3.20 -0.02 0.00 1.25 0.00 0.00 34.83 32.85 1dq8 s MET 534 CO -0.04 -0.39 1.14 -2.14 1.05 0.00 0.00 175.02 174.65 1dq8 s PRO 535 N 1.45 4.34 -0.22 4.11 0.02 -1.26 -5.03 135.00 138.42 1dq8 s PRO 535 Ca 0.02 1.57 -0.03 0.00 0.02 0.00 0.00 61.00 62.58 1dq8 s PRO 535 Cb -0.17 -3.59 -0.00 0.00 0.02 0.00 0.00 34.50 30.76 1dq8 s PRO 535 CO -0.00 -0.47 -0.06 0.42 -0.33 0.00 0.00 177.00 176.55 1dq8 s ILE 536 N 2.47 3.18 0.28 2.83 -1.09 -1.26 -5.08 121.20 122.53 1dq8 s ILE 536 Ca 0.52 -0.58 -0.30 0.00 -2.23 0.00 0.00 60.65 58.07 1dq8 s ILE 536 Cb -0.21 -2.45 -0.13 0.00 -1.58 0.00 0.00 42.46 38.08 1dq8 s ILE 536 CO 0.18 0.42 1.24 -2.65 -1.23 0.00 0.00 174.94 172.91 1dq8 n PRO 537 N 4.77 1.80 -4.23 2.79 -0.02 -1.25 -4.73 135.00 134.12 1dq8 n PRO 537 Ca -0.18 0.63 -0.34 0.00 -2.02 0.00 0.00 63.50 61.59 1dq8 n PRO 537 Cb 0.50 -2.18 -0.15 0.00 -0.02 0.00 0.00 33.50 31.66 1dq8 n PRO 537 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1dq8 s VAL 538 N -0.65 2.87 0.39 -1.45 1.01 -1.26 -0.93 120.40 120.38 1dq8 s VAL 538 Ca 0.62 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 62.00 1dq8 s VAL 538 Cb -0.66 -2.25 -0.06 0.00 0.00 0.00 0.00 36.38 33.41 1dq8 s VAL 538 CO 0.56 0.49 0.10 -0.83 0.00 0.00 0.00 175.10 175.42 1dq8 s GLY 539 N 1.11 2.30 -0.05 4.51 0.00 0.81 -4.90 107.32 111.10 1dq8 s GLY 539 Ca 0.01 -2.11 0.05 0.00 0.00 0.00 0.00 44.72 42.66 1dq8 s GLY 539 CO -0.03 -1.95 -0.19 0.54 0.00 0.00 0.00 173.10 171.46 1dq8 s VAL 540 N -2.60 1.63 -0.05 1.40 0.11 -1.26 -0.13 120.40 119.50 1dq8 s VAL 540 Ca 0.38 -0.82 0.06 0.00 -2.93 0.00 0.00 61.98 58.67 1dq8 s VAL 540 Cb 0.04 -1.40 -0.02 0.00 -1.53 0.00 0.00 36.38 33.47 1dq8 s VAL 540 CO 0.21 0.46 -0.22 0.00 -3.33 0.00 0.00 175.10 172.22 1dq8 s ALA 541 N 0.07 2.32 0.00 1.54 0.00 -0.40 -4.90 121.76 120.39 1dq8 s ALA 541 Ca -0.06 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1dq8 s ALA 541 Cb -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.24 1dq8 s ALA 541 CO 0.03 0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.67 1dq8 n GLY 542 N 2.70 0.27 3.77 0.00 0.00 -1.26 -0.39 105.19 110.28 1dq8 n GLY 542 Ca -0.17 -1.60 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 1dq8 n GLY 542 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dq8 s PRO 543 N -1.57 4.08 -0.42 1.61 0.04 -1.26 -4.93 135.00 132.55 1dq8 s PRO 543 Ca 0.00 1.87 -0.16 0.00 0.04 0.00 0.00 61.00 62.75 1dq8 s PRO 543 Cb 0.00 -2.71 0.03 0.00 0.04 0.00 0.00 34.50 31.85 1dq8 s PRO 543 CO 0.00 -0.30 0.38 -1.17 0.04 0.00 0.00 177.00 175.94 1dq8 s LEU 544 N -2.43 5.07 -0.61 -3.56 2.96 0.28 -4.65 118.68 115.75 1dq8 s LEU 544 Ca 0.56 -0.86 -0.24 0.00 -0.22 0.00 0.00 54.13 53.37 1dq8 s LEU 544 Cb -0.31 -2.26 0.05 0.00 0.50 0.00 0.00 46.19 44.16 1dq8 s LEU 544 CO 0.40 -0.54 0.99 0.00 -1.32 0.00 0.00 176.35 175.88 1dq8 s LEU 546 N 4.20 1.16 -1.38 0.00 2.96 -0.21 -0.27 118.68 125.13 1dq8 s LEU 546 Ca 0.29 -0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 54.03 1dq8 s LEU 546 Cb -0.13 -0.49 0.00 0.00 0.50 0.00 0.00 46.19 46.07 1dq8 s LEU 546 CO 0.16 -0.09 0.45 0.47 -1.32 0.00 0.00 176.35 176.02 1dq8 n ASP 547 N 4.36 -0.89 -0.82 3.68 8.00 0.66 -1.62 116.55 129.93 1dq8 n ASP 547 Ca -0.20 -1.02 -0.11 0.00 0.71 0.00 0.00 54.79 54.18 1dq8 n ASP 547 Cb 0.51 -3.02 -0.05 0.00 -0.02 0.00 0.00 41.12 38.54 1dq8 n ASP 547 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1dq8 n GLU 548 N -4.40 -1.19 -4.41 -1.24 1.02 -1.26 -4.98 120.64 104.19 1dq8 n GLU 548 Ca -0.29 0.84 -0.20 0.00 -0.02 0.00 0.00 57.16 57.49 1dq8 n GLU 548 Cb 0.67 -4.97 -0.10 0.00 -0.02 0.00 0.00 31.44 27.02 1dq8 n GLU 548 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1dq8 s LYS 549 N -2.75 1.53 -0.15 3.49 1.02 -0.64 -5.15 119.74 117.09 1dq8 s LYS 549 Ca 0.00 -1.81 -0.00 0.00 0.02 0.00 0.00 55.97 54.18 1dq8 s LYS 549 Cb 0.00 -0.86 0.03 0.00 -0.52 0.00 0.00 37.83 36.49 1dq8 s LYS 549 CO 0.00 -0.11 -0.08 -1.21 -0.92 0.00 0.00 175.35 173.03 1dq8 s GLU 550 N -3.84 1.72 -0.07 1.68 2.02 -1.26 -1.05 118.70 117.90 1dq8 s GLU 550 Ca 0.32 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.81 1dq8 s GLU 550 Cb 0.07 -1.98 -0.03 0.00 0.10 0.00 0.00 34.13 32.29 1dq8 s GLU 550 CO 0.13 -0.35 -0.05 -0.06 0.02 0.00 0.00 175.26 174.95 1dq8 s PHE 551 N 1.59 3.00 -0.40 1.61 0.40 -0.57 -4.85 117.98 118.76 1dq8 s PHE 551 Ca 0.02 0.07 -0.11 0.00 -0.60 0.00 0.00 56.93 56.31 1dq8 s PHE 551 Cb -0.14 -1.72 0.04 0.00 0.51 0.00 0.00 43.02 41.71 1dq8 s PHE 551 CO -0.08 0.37 0.24 -0.65 0.70 0.00 0.00 175.22 175.80 1dq8 s GLN 552 N -0.88 2.80 -0.26 0.44 -1.52 -1.26 -0.56 119.66 118.42 1dq8 s GLN 552 Ca 0.13 -1.19 -0.20 0.00 -1.95 0.00 0.00 55.36 52.15 1dq8 s GLN 552 Cb -0.11 -3.80 -0.02 0.00 -0.22 0.00 0.00 33.01 28.86 1dq8 s GLN 552 CO 0.02 -0.79 0.64 0.08 -0.25 0.00 0.00 175.29 174.99 1dq8 s VAL 553 N 1.54 4.97 0.11 1.09 1.01 0.47 -4.60 120.40 125.00 1dq8 s VAL 553 Ca 0.02 1.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.83 1dq8 s VAL 553 Cb -0.20 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 1dq8 s VAL 553 CO 0.06 -0.00 0.91 -2.16 0.00 0.00 0.00 175.10 173.90 1dq8 s PRO 554 N 2.53 4.66 -0.09 2.72 0.05 -1.26 -1.27 135.00 142.33 1dq8 s PRO 554 Ca 0.26 1.35 -0.02 0.00 0.05 0.00 0.00 61.00 62.64 1dq8 s PRO 554 Cb -0.15 -3.36 0.04 0.00 0.05 0.00 0.00 34.50 31.07 1dq8 s PRO 554 CO 0.09 0.27 0.04 -1.64 0.05 0.00 0.00 177.00 175.81 1dq8 s MET 555 N -0.14 0.29 -0.35 4.56 -1.94 0.82 -4.36 119.30 118.18 1dq8 s MET 555 Ca 0.44 0.09 -0.18 0.00 -1.71 0.00 0.00 55.69 54.34 1dq8 s MET 555 Cb -0.23 -1.12 -0.00 0.00 2.01 0.00 0.00 34.83 35.49 1dq8 s MET 555 CO 0.28 -0.42 0.51 0.00 -0.01 0.00 0.00 175.02 175.38 1dq8 s ALA 556 N 2.05 3.48 0.19 3.03 0.00 -0.52 -0.13 121.76 129.86 1dq8 s ALA 556 Ca 0.04 -1.03 -0.19 0.00 0.00 0.00 0.00 51.96 50.78 1dq8 s ALA 556 Cb -0.13 -3.01 0.04 0.00 0.00 0.00 0.00 23.12 20.01 1dq8 s ALA 556 CO -0.06 -1.22 0.54 -0.08 0.00 0.00 0.00 175.76 174.95 1dq8 s THR 557 N 2.37 0.02 -0.01 0.00 -1.32 -0.11 -4.35 115.64 112.26 1dq8 s THR 557 Ca 0.18 -0.63 0.02 0.00 -1.21 0.00 0.00 61.69 60.05 1dq8 s THR 557 Cb -0.15 -1.46 0.02 0.00 -1.51 0.00 0.00 72.50 69.40 1dq8 s THR 557 CO 0.13 -0.11 0.91 0.35 -2.21 0.00 0.00 174.62 173.70 1dq8 n THR 558 N -0.35 0.85 -3.30 5.08 -2.24 -1.26 -3.95 114.28 109.12 1dq8 n THR 558 Ca -0.11 -0.89 -0.43 0.00 -2.27 0.00 0.00 64.05 60.35 1dq8 n THR 558 Cb 0.63 0.54 -0.08 0.00 -2.10 0.00 0.00 70.33 69.31 1dq8 n THR 558 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1dq8 s GLU 559 N -0.94 3.23 0.50 -0.78 2.12 -1.26 -5.06 118.70 116.52 1dq8 s GLU 559 Ca 0.03 -0.61 -0.23 0.00 0.36 0.00 0.00 54.97 54.51 1dq8 s GLU 559 Cb 0.02 -3.93 -0.07 0.00 0.26 0.00 0.00 34.13 30.42 1dq8 s GLU 559 CO 0.00 -0.81 1.39 0.41 -0.54 0.00 0.00 175.26 175.71 1dq8 n GLY 560 N 5.05 0.86 3.38 -1.50 0.00 -1.26 -2.76 105.19 108.97 1dq8 n GLY 560 Ca -0.07 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1dq8 n GLY 560 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dq8 h LEU 562 N 0.00 -0.12 -0.43 0.00 5.85 -1.95 0.60 115.31 119.26 1dq8 h LEU 562 Ca 0.00 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1dq8 h LEU 562 Cb 0.00 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1dq8 h LEU 562 CO 0.00 0.12 0.22 0.58 -0.34 0.00 0.00 178.44 179.02 1dq8 h VAL 563 N -0.37 1.17 -0.29 1.05 2.07 -1.90 -0.65 116.25 117.33 1dq8 h VAL 563 Ca -0.01 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.10 1dq8 h VAL 563 Cb 0.30 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1dq8 h VAL 563 CO 0.02 0.18 0.07 0.00 0.02 0.00 0.00 177.57 177.86 1dq8 h ALA 564 N 1.07 0.31 -0.65 1.67 0.00 -1.91 0.12 119.26 119.88 1dq8 h ALA 564 Ca 0.15 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1dq8 h ALA 564 Cb 0.08 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1dq8 h ALA 564 CO -0.02 -0.34 0.15 1.03 0.00 0.00 0.00 179.25 180.06 1dq8 h SER 565 N 0.18 0.99 -0.20 0.00 0.87 -0.69 -0.61 113.55 114.09 1dq8 h SER 565 Ca 0.14 -0.24 -0.12 0.00 -1.23 0.00 0.00 61.79 60.33 1dq8 h SER 565 Cb 0.14 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1dq8 h SER 565 CO -0.17 0.98 -0.31 0.74 -0.53 0.00 0.00 176.83 177.54 1dq8 h THR 566 N 0.97 1.28 -0.59 2.23 2.02 -0.69 -2.18 112.91 115.94 1dq8 h THR 566 Ca 0.20 -1.44 -0.06 0.00 0.77 0.00 0.00 66.41 65.89 1dq8 h THR 566 Cb 0.38 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1dq8 h THR 566 CO 0.00 0.47 0.13 -1.13 0.37 0.00 0.00 175.52 175.37 1dq8 h ASN 567 N 0.59 0.87 -0.40 4.18 -1.24 -0.43 -1.59 115.58 117.57 1dq8 h ASN 567 Ca 0.07 -0.17 -0.02 0.00 0.71 0.00 0.00 56.30 56.89 1dq8 h ASN 567 Cb 0.81 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.62 1dq8 h ASN 567 CO 0.07 0.85 0.15 -0.09 -1.29 0.00 0.00 177.43 177.12 1dq8 h ARG 568 N 0.89 0.60 -0.54 6.67 2.43 -0.86 -1.29 114.38 122.27 1dq8 h ARG 568 Ca 0.19 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1dq8 h ARG 568 Cb 0.33 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1dq8 h ARG 568 CO 0.00 0.57 0.14 0.78 -1.51 0.00 0.00 179.97 179.95 1dq8 h GLY 569 N 0.50 0.89 1.36 2.80 0.00 -1.07 -1.11 103.07 106.44 1dq8 h GLY 569 Ca 0.13 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 1dq8 h GLY 569 CO -0.01 0.48 0.09 0.00 0.00 0.00 0.00 176.54 177.10 1dq8 h ARG 571 N 0.76 0.56 -0.72 0.00 9.65 -0.18 -0.49 114.38 123.97 1dq8 h ARG 571 Ca 0.16 -0.12 -0.02 0.00 -1.10 0.00 0.00 59.98 58.90 1dq8 h ARG 571 Cb 0.33 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 1dq8 h ARG 571 CO 0.00 0.58 0.35 0.00 2.80 0.00 0.00 179.97 183.71 1dq8 h ALA 572 N 0.96 0.93 -0.13 2.80 0.00 -0.99 -2.10 119.26 120.72 1dq8 h ALA 572 Ca 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1dq8 h ALA 572 Cb 0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1dq8 h ALA 572 CO -0.00 0.48 0.04 0.82 0.00 0.00 0.00 179.25 180.59 1dq8 h ILE 573 N 1.00 1.17 -0.72 0.00 2.04 -1.11 -2.38 117.51 117.52 1dq8 h ILE 573 Ca 0.25 -0.54 0.08 0.00 1.00 0.00 0.00 64.86 65.66 1dq8 h ILE 573 Cb 0.11 1.30 -0.07 0.00 -0.74 0.00 0.00 36.82 37.42 1dq8 h ILE 573 CO -0.03 0.16 0.38 1.23 0.00 0.00 0.00 178.15 179.88 1dq8 h GLY 574 N 0.02 1.07 2.00 5.37 0.00 -0.90 0.22 103.07 110.85 1dq8 h GLY 574 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1dq8 h GLY 574 CO -0.00 0.10 0.00 1.04 0.00 0.00 0.00 176.54 177.68 1dq8 n LEU 575 N -4.82 0.19 -1.08 3.11 4.77 -0.81 -2.56 117.00 115.81 1dq8 n LEU 575 Ca 0.11 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 1dq8 n LEU 575 Cb 0.24 -0.51 0.23 0.00 -2.33 0.00 0.00 43.42 41.05 1dq8 n LEU 575 CO 0.26 -0.28 0.71 0.61 -1.33 0.00 0.00 177.39 177.36 1dq8 n GLY 576 N 0.26 1.52 0.32 -0.72 0.00 0.70 -4.85 105.19 102.42 1dq8 n GLY 576 Ca 0.04 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1dq8 n GLY 576 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dq8 n GLY 577 N 1.46 0.62 0.00 -0.02 0.00 -1.06 -4.70 105.19 101.49 1dq8 n GLY 577 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1dq8 n GLY 577 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dq8 n GLY 578 N -2.02 0.77 3.73 -0.02 0.00 -0.85 -5.00 105.19 101.80 1dq8 n GLY 578 Ca 0.00 -1.87 -0.24 0.00 0.00 0.00 0.00 46.02 43.92 1dq8 n GLY 578 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dq8 s ALA 579 N -2.26 3.36 0.05 4.61 0.00 0.62 -4.59 121.76 123.55 1dq8 s ALA 579 Ca 0.00 -1.48 0.07 0.00 0.00 0.00 0.00 51.96 50.56 1dq8 s ALA 579 Cb 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 1dq8 s ALA 579 CO 0.00 0.32 -0.21 -1.12 0.00 0.00 0.00 175.76 174.75 1dq8 s SER 580 N -3.55 2.51 0.07 0.00 0.01 -0.49 -0.24 113.70 112.01 1dq8 s SER 580 Ca 0.31 -0.55 -0.06 0.00 1.31 0.00 0.00 55.95 56.96 1dq8 s SER 580 Cb -0.08 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 65.94 1dq8 s SER 580 CO 0.22 0.15 0.12 -0.94 0.41 0.00 0.00 173.24 173.20 1dq8 s SER 581 N -1.28 0.23 -0.06 2.44 1.04 -1.26 -0.75 113.70 114.06 1dq8 s SER 581 Ca 0.07 -0.74 -0.07 0.00 0.48 0.00 0.00 55.95 55.69 1dq8 s SER 581 Cb -0.09 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.34 1dq8 s SER 581 CO 0.02 -0.68 0.19 -0.13 0.98 0.00 0.00 173.24 173.62 1dq8 s ARG 582 N -3.81 0.28 -0.27 4.02 1.81 -0.57 -5.00 118.95 115.42 1dq8 s ARG 582 Ca 0.05 0.14 -0.18 0.00 -1.72 0.00 0.00 55.73 54.02 1dq8 s ARG 582 Cb 0.05 0.13 -0.02 0.00 -0.45 0.00 0.00 34.95 34.66 1dq8 s ARG 582 CO -0.10 -0.05 0.54 0.08 -0.68 0.00 0.00 175.30 175.09 1dq8 s VAL 583 N -0.19 5.05 -0.05 3.52 1.01 -1.26 -1.86 120.40 126.61 1dq8 s VAL 583 Ca -0.03 0.90 0.13 0.00 0.00 0.00 0.00 61.98 62.98 1dq8 s VAL 583 Cb -0.03 -3.86 -0.19 0.00 0.00 0.00 0.00 36.38 32.31 1dq8 s VAL 583 CO 0.01 0.06 0.79 -0.07 0.00 0.00 0.00 175.10 175.88 1dq8 h LEU 584 N 8.83 0.00 -7.00 3.92 3.38 -0.70 -3.49 115.31 120.25 1dq8 h LEU 584 Ca -0.28 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.70 1dq8 h LEU 584 Cb 1.14 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.74 1dq8 h LEU 584 CO 0.73 0.87 0.30 0.00 0.09 0.00 0.00 178.44 180.43 1dq8 s ALA 585 N -2.71 -1.70 -0.23 1.53 0.00 -1.19 -4.96 121.76 112.50 1dq8 s ALA 585 Ca -0.03 0.77 -0.04 0.00 0.00 0.00 0.00 51.96 52.66 1dq8 s ALA 585 Cb 0.08 0.59 0.13 0.00 0.00 0.00 0.00 23.12 23.92 1dq8 s ALA 585 CO 0.82 -0.68 0.40 0.34 0.00 0.00 0.00 175.76 176.63 1dq8 s ASP 586 N -2.44 0.05 -0.30 0.00 2.15 -1.25 -1.62 116.67 113.26 1dq8 s ASP 586 Ca 0.01 0.44 -0.16 0.00 0.43 0.00 0.00 52.55 53.27 1dq8 s ASP 586 Cb -0.01 1.22 0.18 0.00 -0.30 0.00 0.00 42.92 44.01 1dq8 s ASP 586 CO -0.09 -0.28 1.14 -0.83 -0.17 0.00 0.00 175.17 174.95 1dq8 s GLY 587 N 2.57 -0.09 0.57 2.66 0.00 0.55 -4.52 107.32 109.08 1dq8 s GLY 587 Ca 0.10 3.15 -0.17 0.00 0.00 0.00 0.00 44.72 47.80 1dq8 s GLY 587 CO -0.15 3.63 1.06 -0.29 0.00 0.00 0.00 173.10 177.35 1dq8 s MET 588 N 2.62 3.39 0.19 2.90 1.75 -0.20 -0.89 119.30 129.06 1dq8 s MET 588 Ca -0.03 1.29 0.03 0.00 -1.25 0.00 0.00 55.69 55.73 1dq8 s MET 588 Cb -0.06 -2.04 -0.05 0.00 2.84 0.00 0.00 34.83 35.52 1dq8 s MET 588 CO -0.13 -0.77 -0.03 0.95 -0.65 0.00 0.00 175.02 174.40 1dq8 s THR 589 N -2.29 0.98 -0.13 10.11 -4.23 -1.26 -0.92 115.64 117.90 1dq8 s THR 589 Ca 0.65 -2.03 -0.08 0.00 -1.18 0.00 0.00 61.69 59.06 1dq8 s THR 589 Cb -0.17 -2.14 0.05 0.00 1.34 0.00 0.00 72.50 71.58 1dq8 s THR 589 CO 0.33 -0.49 0.32 -0.60 -0.54 0.00 0.00 174.62 173.64 1dq8 s ARG 590 N -3.84 0.30 -0.62 3.99 6.06 -1.04 -4.89 118.95 118.90 1dq8 s ARG 590 Ca 0.24 0.62 0.05 0.00 -2.50 0.00 0.00 55.73 54.14 1dq8 s ARG 590 Cb 0.05 -0.04 0.19 0.00 0.06 0.00 0.00 34.95 35.20 1dq8 s ARG 590 CO 0.05 -0.15 0.51 0.41 -2.50 0.00 0.00 175.30 173.62 1dq8 n GLY 591 N 4.07 3.73 3.69 8.12 0.00 -1.26 -0.96 105.19 122.57 1dq8 n GLY 591 Ca -0.23 -2.32 -0.32 0.00 0.00 0.00 0.00 46.02 43.15 1dq8 n GLY 591 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1dq8 s PRO 592 N -1.33 1.34 -0.16 1.61 0.02 -1.16 -0.68 135.00 134.65 1dq8 s PRO 592 Ca 0.30 1.65 0.01 0.00 0.02 0.00 0.00 61.00 62.97 1dq8 s PRO 592 Cb 0.02 -1.75 0.01 0.00 0.02 0.00 0.00 34.50 32.79 1dq8 s PRO 592 CO -0.15 -2.41 -0.19 0.54 -0.33 0.00 0.00 177.00 174.46 1dq8 s VAL 593 N -2.41 2.28 0.38 3.83 0.11 -0.21 -2.45 120.40 121.92 1dq8 s VAL 593 Ca 0.70 -0.89 0.08 0.00 -2.93 0.00 0.00 61.98 58.94 1dq8 s VAL 593 Cb -0.25 -1.94 -0.07 0.00 -1.53 0.00 0.00 36.38 32.58 1dq8 s VAL 593 CO 0.54 0.53 -0.01 0.68 -3.33 0.00 0.00 175.10 173.52 1dq8 s VAL 594 N 0.96 2.22 -0.05 2.04 -7.23 -0.45 -1.33 120.40 116.57 1dq8 s VAL 594 Ca -0.03 -2.03 -0.03 0.00 -1.81 0.00 0.00 61.98 58.08 1dq8 s VAL 594 Cb -0.15 -2.85 0.03 0.00 0.56 0.00 0.00 36.38 33.97 1dq8 s VAL 594 CO -0.04 -0.10 0.11 -0.60 -0.31 0.00 0.00 175.10 174.15 1dq8 s ARG 595 N -3.70 0.08 0.33 4.82 3.52 0.15 -0.95 118.95 123.20 1dq8 s ARG 595 Ca 0.35 0.24 0.08 0.00 -0.13 0.00 0.00 55.73 56.27 1dq8 s ARG 595 Cb 0.05 -0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.31 1dq8 s ARG 595 CO 0.18 -0.10 0.23 -0.51 -0.81 0.00 0.00 175.30 174.29 1dq8 s LEU 596 N 0.69 3.50 0.35 -0.88 2.01 -0.59 0.15 118.68 123.91 1dq8 s LEU 596 Ca -0.05 -0.57 0.02 0.00 0.01 0.00 0.00 54.13 53.54 1dq8 s LEU 596 Cb -0.07 -2.06 0.64 0.00 0.01 0.00 0.00 46.19 44.71 1dq8 s LEU 596 CO -0.03 -0.30 2.00 -0.65 1.01 0.00 0.00 176.35 178.38 1dq8 h PRO 597 N 1.38 0.81 -4.58 1.29 0.11 -1.87 -3.45 132.00 125.68 1dq8 h PRO 597 Ca -0.45 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 65.39 1dq8 h PRO 597 Cb 1.25 -0.18 -0.15 0.00 0.11 0.00 0.00 31.00 32.04 1dq8 h PRO 597 CO 0.60 0.55 -0.68 1.03 -0.21 0.00 0.00 178.00 179.29 1dq8 s ARG 598 N -5.67 0.88 0.25 1.05 0.52 -1.26 -4.99 118.95 109.73 1dq8 s ARG 598 Ca -0.10 -1.38 -0.05 0.00 -0.52 0.00 0.00 55.73 53.68 1dq8 s ARG 598 Cb 0.17 -0.08 0.27 0.00 0.52 0.00 0.00 34.95 35.84 1dq8 s ARG 598 CO 0.76 -0.10 1.85 0.00 0.02 0.00 0.00 175.30 177.83 1dq8 h ALA 599 N 2.92 1.18 -0.62 2.13 0.00 -1.87 -1.88 119.26 121.11 1dq8 h ALA 599 Ca -0.35 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.44 1dq8 h ALA 599 Cb 1.18 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1dq8 h ALA 599 CO 0.64 0.63 0.41 0.00 0.00 0.00 0.00 179.25 180.92 1dq8 h ASP 601 N 0.72 0.81 -0.12 0.00 3.32 -1.79 -2.51 116.42 116.84 1dq8 h ASP 601 Ca 0.25 -0.55 -0.09 0.00 0.02 0.00 0.00 57.03 56.66 1dq8 h ASP 601 Cb 0.11 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1dq8 h ASP 601 CO -0.07 1.33 -0.21 0.77 -1.72 0.00 0.00 179.24 179.34 1dq8 h SER 602 N 0.45 0.54 -0.85 6.45 4.64 -0.56 -1.51 113.55 122.70 1dq8 h SER 602 Ca -0.06 -0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.06 1dq8 h SER 602 Cb 1.42 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 63.33 1dq8 h SER 602 CO 0.16 0.75 0.40 0.00 -0.87 0.00 0.00 176.83 177.27 1dq8 h ALA 603 N 1.29 1.11 -0.42 5.18 0.00 -0.88 -1.28 119.26 124.26 1dq8 h ALA 603 Ca 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1dq8 h ALA 603 Cb 0.64 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1dq8 h ALA 603 CO 0.05 0.67 0.20 1.49 0.00 0.00 0.00 179.25 181.65 1dq8 h GLU 604 N 1.21 0.61 -0.59 0.00 4.81 -0.91 -0.66 114.58 119.05 1dq8 h GLU 604 Ca 0.29 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1dq8 h GLU 604 Cb 0.12 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1dq8 h GLU 604 CO -0.04 0.54 0.37 0.28 -0.73 0.00 0.00 179.01 179.43 1dq8 h VAL 605 N 0.54 1.17 -0.46 0.32 2.07 -0.81 -1.11 116.25 117.97 1dq8 h VAL 605 Ca 0.14 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1dq8 h VAL 605 Cb 0.13 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1dq8 h VAL 605 CO -0.02 0.17 0.30 0.50 0.02 0.00 0.00 177.57 178.54 1dq8 h LYS 606 N 0.80 0.61 -0.75 1.57 3.64 -0.91 0.29 116.57 121.82 1dq8 h LYS 606 Ca 0.21 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1dq8 h LYS 606 Cb -0.04 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 1dq8 h LYS 606 CO -0.04 0.41 0.37 0.00 -2.27 0.00 0.00 179.45 177.92 1dq8 h ALA 607 N 1.16 0.97 -0.36 5.00 0.00 -0.90 -2.16 119.26 122.95 1dq8 h ALA 607 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1dq8 h ALA 607 Cb -0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1dq8 h ALA 607 CO -0.03 0.52 0.18 2.35 0.00 0.00 0.00 179.25 182.27 1dq8 h TRP 608 N 1.05 0.51 0.00 0.00 7.01 -0.54 -1.89 115.95 122.09 1dq8 h TRP 608 Ca 0.26 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.23 1dq8 h TRP 608 Cb 0.10 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 27.00 1dq8 h TRP 608 CO 0.01 0.43 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.96 1dq8 h LEU 609 N 0.45 0.00 -0.15 0.65 3.38 -0.70 -2.21 115.31 116.73 1dq8 h LEU 609 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1dq8 h LEU 609 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1dq8 h LEU 609 CO -0.02 0.05 -0.26 -0.62 0.09 0.00 0.00 178.44 177.68 1dq8 n GLU 610 N -3.37 0.34 -2.90 1.13 1.02 -0.73 -3.94 120.64 112.19 1dq8 n GLU 610 Ca -0.02 -0.15 -0.32 0.00 -0.02 0.00 0.00 57.16 56.65 1dq8 n GLU 610 Cb 0.19 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.05 1dq8 n GLU 610 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1dq8 s THR 611 N -2.76 4.60 0.35 2.62 -4.23 -0.83 -4.95 115.64 110.44 1dq8 s THR 611 Ca 0.19 1.08 0.07 0.00 -1.18 0.00 0.00 61.69 61.85 1dq8 s THR 611 Cb 0.19 -3.64 0.13 0.00 1.34 0.00 0.00 72.50 70.51 1dq8 s THR 611 CO 0.57 -0.35 1.85 0.77 -0.54 0.00 0.00 174.62 176.92 1dq8 h SER 612 N 1.80 0.30 0.02 3.99 4.64 -1.89 -0.91 113.55 121.51 1dq8 h SER 612 Ca -0.48 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1dq8 h SER 612 Cb 1.18 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1dq8 h SER 612 CO 0.63 0.49 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.75 1dq8 h GLU 613 N 0.29 -0.03 -0.35 4.77 3.07 -1.93 -0.36 114.58 120.04 1dq8 h GLU 613 Ca 0.06 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.97 1dq8 h GLU 613 Cb 0.47 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.34 1dq8 h GLU 613 CO 0.03 0.25 0.07 0.78 -1.40 0.00 0.00 179.01 178.74 1dq8 h GLY 614 N -0.30 0.40 0.99 -3.84 0.00 -1.60 -2.02 103.07 96.70 1dq8 h GLY 614 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1dq8 h GLY 614 CO 0.00 -0.02 0.22 -2.75 0.00 0.00 0.00 176.54 174.00 1dq8 h PHE 615 N 0.19 0.86 -0.58 5.60 3.57 -1.11 -2.72 116.94 122.74 1dq8 h PHE 615 Ca 0.16 -0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.66 1dq8 h PHE 615 Cb 0.18 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 1dq8 h PHE 615 CO -0.18 0.70 0.29 0.00 -2.23 0.00 0.00 178.31 176.88 1dq8 h ALA 616 N 1.07 0.76 -0.47 2.41 0.00 -0.46 0.54 119.26 123.11 1dq8 h ALA 616 Ca 0.19 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1dq8 h ALA 616 Cb 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1dq8 h ALA 616 CO -0.02 -0.06 -0.19 -0.39 0.00 0.00 0.00 179.25 178.59 1dq8 h VAL 617 N 0.55 1.27 -0.20 0.00 -1.51 -1.24 -0.99 116.25 114.13 1dq8 h VAL 617 Ca 0.27 -1.35 -0.14 0.00 -1.23 0.00 0.00 66.70 64.25 1dq8 h VAL 617 Cb 0.20 1.14 -0.01 0.00 -2.13 0.00 0.00 31.29 30.49 1dq8 h VAL 617 CO -0.19 0.46 -0.46 0.16 -1.23 0.00 0.00 177.57 176.31 1dq8 h ILE 618 N 0.81 1.31 -0.68 7.19 -0.00 -1.16 -1.94 117.51 123.05 1dq8 h ILE 618 Ca 0.11 -1.66 -0.06 0.00 -0.00 0.00 0.00 64.86 63.24 1dq8 h ILE 618 Cb 0.76 1.67 -0.03 0.00 -0.00 0.00 0.00 36.82 39.22 1dq8 h ILE 618 CO 0.06 0.52 0.18 0.50 -0.00 0.00 0.00 178.15 179.41 1dq8 h LYS 619 N 0.40 1.06 -0.26 0.16 3.64 -0.77 0.17 116.57 120.97 1dq8 h LYS 619 Ca 0.02 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 1dq8 h LYS 619 Cb 0.97 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1dq8 h LYS 619 CO 0.09 0.92 0.13 1.49 -2.27 0.00 0.00 179.45 179.81 1dq8 h GLU 620 N 1.01 0.36 -0.41 1.90 4.81 -0.78 0.15 114.58 121.63 1dq8 h GLU 620 Ca 0.22 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1dq8 h GLU 620 Cb 0.33 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1dq8 h GLU 620 CO -0.00 0.34 0.14 0.00 -0.73 0.00 0.00 179.01 178.76 1dq8 h ALA 621 N 1.00 0.54 0.22 2.92 0.00 -0.90 -0.96 119.26 122.08 1dq8 h ALA 621 Ca 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1dq8 h ALA 621 Cb 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1dq8 h ALA 621 CO -0.01 0.17 -0.11 0.35 0.00 0.00 0.00 179.25 179.65 1dq8 h PHE 622 N 0.52 -0.27 0.00 0.00 3.57 -0.45 -2.98 116.94 117.33 1dq8 h PHE 622 Ca 0.13 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 1dq8 h PHE 622 Cb 0.23 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1dq8 h PHE 622 CO 0.01 -0.15 -0.23 -0.44 -2.23 0.00 0.00 178.31 175.27 1dq8 h ASP 623 N -0.33 0.00 0.00 0.41 5.19 -0.65 -2.52 116.42 118.52 1dq8 h ASP 623 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1dq8 h ASP 623 Cb 0.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.76 1dq8 h ASP 623 CO 0.05 0.23 0.23 0.77 -3.12 0.00 0.00 179.24 177.40 1dq8 h SER 624 N 0.00 0.00 0.59 6.45 4.64 -1.00 -1.72 113.55 122.51 1dq8 h SER 624 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 1dq8 h SER 624 Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1dq8 h SER 624 CO 0.03 0.00 -0.36 0.74 -0.87 0.00 0.00 176.83 176.37 1dq8 h THR 625 N 0.00 1.01 -1.92 2.95 2.02 -1.55 -3.47 112.91 111.96 1dq8 h THR 625 Ca 0.00 -1.34 0.05 0.00 0.77 0.00 0.00 66.41 65.89 1dq8 h THR 625 Cb 0.45 1.77 -0.20 0.00 -1.74 0.00 0.00 68.15 68.44 1dq8 h THR 625 CO 0.00 0.35 0.44 -0.55 0.37 0.00 0.00 175.52 176.13 1dq8 s SER 626 N -6.60 -0.44 0.30 4.18 0.15 -0.65 -5.00 113.70 105.64 1dq8 s SER 626 Ca -0.01 0.35 -0.01 0.00 0.70 0.00 0.00 55.95 56.97 1dq8 s SER 626 Cb 0.13 0.39 0.45 0.00 -1.71 0.00 0.00 66.02 65.28 1dq8 s SER 626 CO 0.69 -0.50 1.89 0.03 1.20 0.00 0.00 173.24 176.55 1dq8 h ARG 627 N 2.48 0.89 -0.01 5.44 3.08 -1.91 -2.82 114.38 121.53 1dq8 h ARG 627 Ca -0.22 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1dq8 h ARG 627 Cb 1.19 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1dq8 h ARG 627 CO 0.33 0.71 -0.39 1.19 -1.07 0.00 0.00 179.97 180.73 1dq8 n PHE 628 N -4.34 0.00 -3.00 3.04 3.01 -1.26 -4.82 117.46 110.09 1dq8 n PHE 628 Ca 0.06 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.08 1dq8 n PHE 628 Cb 0.15 -0.13 -0.05 0.00 -0.01 0.00 0.00 39.48 39.44 1dq8 n PHE 628 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1dq8 s ALA 629 N -2.65 3.28 -0.29 4.37 0.00 -1.07 -3.60 121.76 121.80 1dq8 s ALA 629 Ca 0.19 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.68 1dq8 s ALA 629 Cb 0.18 -3.53 0.09 0.00 0.00 0.00 0.00 23.12 19.86 1dq8 s ALA 629 CO 0.59 -2.18 0.03 1.03 0.00 0.00 0.00 175.76 175.23 1dq8 s ARG 630 N 3.26 1.31 0.11 0.00 1.81 -1.23 -4.26 118.95 119.96 1dq8 s ARG 630 Ca 0.23 -1.33 -0.31 0.00 -1.72 0.00 0.00 55.73 52.60 1dq8 s ARG 630 Cb -0.16 -2.63 -0.10 0.00 -0.45 0.00 0.00 34.95 31.61 1dq8 s ARG 630 CO 0.16 -0.83 1.86 -0.11 -0.68 0.00 0.00 175.30 175.69 1dq8 n LEU 631 N 4.57 4.08 -0.11 2.53 7.94 -1.26 -2.71 117.00 132.04 1dq8 n LEU 631 Ca -0.04 0.98 -0.25 0.00 -1.11 0.00 0.00 56.01 55.59 1dq8 n LEU 631 Cb 0.43 -1.55 -0.11 0.00 0.53 0.00 0.00 43.42 42.72 1dq8 n LEU 631 CO 0.17 0.19 -1.09 0.00 -1.11 0.00 0.00 177.39 175.55 1dq8 n GLN 632 N 5.88 0.61 -3.86 1.96 6.02 0.60 -4.98 117.38 123.61 1dq8 n GLN 632 Ca 0.18 0.34 -0.08 0.00 -0.01 0.00 0.00 57.00 57.42 1dq8 n GLN 632 Cb 0.38 -1.60 -0.03 0.00 1.02 0.00 0.00 30.24 30.01 1dq8 n GLN 632 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1dq8 s LYS 633 N -2.47 1.62 -0.02 -1.09 -2.85 -1.09 -5.04 119.74 108.79 1dq8 s LYS 633 Ca -0.33 -1.02 0.04 0.00 -1.00 0.00 0.00 55.97 53.66 1dq8 s LYS 633 Cb 0.10 0.55 -0.01 0.00 -2.06 0.00 0.00 37.83 36.42 1dq8 s LYS 633 CO 0.57 -0.71 -0.14 -0.51 0.10 0.00 0.00 175.35 174.66 1dq8 s LEU 634 N -2.93 1.94 -0.11 2.77 1.02 -1.26 -1.86 118.68 118.25 1dq8 s LEU 634 Ca 0.13 -0.26 0.00 0.00 0.02 0.00 0.00 54.13 54.02 1dq8 s LEU 634 Cb -0.03 -0.75 0.02 0.00 0.02 0.00 0.00 46.19 45.45 1dq8 s LEU 634 CO 0.05 0.14 -0.09 -2.28 0.02 0.00 0.00 176.35 174.19 1dq8 s HIS 635 N -0.10 1.55 0.17 0.29 5.65 -0.75 -4.98 115.29 117.12 1dq8 s HIS 635 Ca 0.01 -0.76 0.09 0.00 0.25 0.00 0.00 55.06 54.65 1dq8 s HIS 635 Cb -0.08 -1.24 -0.04 0.00 -1.18 0.00 0.00 32.58 30.04 1dq8 s HIS 635 CO 0.00 -0.49 -0.11 0.95 -0.65 0.00 0.00 174.74 174.44 1dq8 s THR 636 N 1.52 3.14 -0.16 0.89 -4.23 -1.26 0.12 115.64 115.66 1dq8 s THR 636 Ca 0.02 -1.64 -0.08 0.00 -1.18 0.00 0.00 61.69 58.81 1dq8 s THR 636 Cb -0.13 -2.54 0.06 0.00 1.34 0.00 0.00 72.50 71.23 1dq8 s THR 636 CO -0.07 -0.08 0.37 -0.44 -0.54 0.00 0.00 174.62 173.86 1dq8 s SER 637 N -2.74 -0.38 0.13 3.99 0.01 -0.45 -5.00 113.70 109.27 1dq8 s SER 637 Ca 0.24 0.82 -0.09 0.00 1.31 0.00 0.00 55.95 58.23 1dq8 s SER 637 Cb -0.09 0.78 -0.06 0.00 0.21 0.00 0.00 66.02 66.86 1dq8 s SER 637 CO 0.14 -0.20 0.43 -0.63 0.41 0.00 0.00 173.24 173.40 1dq8 s ILE 638 N 1.61 5.06 -0.42 1.44 -1.09 -1.26 -0.54 121.20 126.00 1dq8 s ILE 638 Ca -0.08 0.38 0.04 0.00 -2.23 0.00 0.00 60.65 58.77 1dq8 s ILE 638 Cb -0.09 -3.64 0.17 0.00 -1.58 0.00 0.00 42.46 37.31 1dq8 s ILE 638 CO -0.12 0.16 0.41 0.00 -1.23 0.00 0.00 174.94 174.16 1dq8 s ALA 639 N -1.54 0.47 0.00 9.38 0.00 -0.98 -4.99 121.76 124.09 1dq8 s ALA 639 Ca 0.38 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.49 1dq8 s ALA 639 Cb -0.13 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1dq8 s ALA 639 CO 0.20 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.32 1dq8 n GLY 640 N 3.10 3.30 0.27 0.00 0.00 -1.26 -1.39 105.19 109.20 1dq8 n GLY 640 Ca 0.24 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.26 1dq8 n GLY 640 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1dq8 n ARG 641 N 13.21 1.07 -2.94 1.61 1.85 -1.26 -4.34 116.66 125.85 1dq8 n ARG 641 Ca 0.00 -0.54 -0.32 0.00 -1.00 0.00 0.00 57.85 55.99 1dq8 n ARG 641 Cb 0.00 -1.49 -0.05 0.00 -1.05 0.00 0.00 32.46 29.87 1dq8 n ARG 641 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1dq8 s ASN 642 N -2.30 6.73 -0.05 2.89 -0.87 -0.49 -1.54 114.94 119.31 1dq8 s ASN 642 Ca 0.31 1.36 0.00 0.00 -1.57 0.00 0.00 52.86 52.96 1dq8 s ASN 642 Cb 0.20 -2.41 0.03 0.00 -0.02 0.00 0.00 41.25 39.05 1dq8 s ASN 642 CO 0.44 -0.32 -0.01 -0.22 -2.57 0.00 0.00 177.10 174.42 1dq8 s LEU 643 N -3.33 1.05 -0.22 0.60 2.96 -0.13 -2.31 118.68 117.31 1dq8 s LEU 643 Ca 0.56 -0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 54.34 1dq8 s LEU 643 Cb -0.10 -0.35 -0.02 0.00 0.50 0.00 0.00 46.19 46.21 1dq8 s LEU 643 CO 0.21 -0.11 0.02 -0.31 -1.32 0.00 0.00 176.35 174.84 1dq8 s TYR 644 N 1.25 3.04 -0.23 5.38 1.51 0.30 -1.33 117.35 127.28 1dq8 s TYR 644 Ca -0.06 -0.52 0.00 0.00 -1.01 0.00 0.00 57.07 55.48 1dq8 s TYR 644 Cb -0.13 -2.14 0.03 0.00 -0.11 0.00 0.00 41.96 39.61 1dq8 s TYR 644 CO -0.02 -0.32 -0.12 0.42 -1.11 0.00 0.00 175.55 174.39 1dq8 s ILE 645 N 1.26 2.41 -0.49 2.71 1.01 -1.03 -1.34 121.20 125.74 1dq8 s ILE 645 Ca 0.04 -1.14 -0.20 0.00 0.00 0.00 0.00 60.65 59.36 1dq8 s ILE 645 Cb -0.15 -2.20 0.05 0.00 0.01 0.00 0.00 42.46 40.17 1dq8 s ILE 645 CO 0.01 0.27 0.63 -0.60 0.00 0.00 0.00 174.94 175.26 1dq8 s ARG 646 N 1.26 3.16 0.02 2.79 3.52 0.12 -3.16 118.95 126.65 1dq8 s ARG 646 Ca -0.00 -0.76 -0.25 0.00 -0.13 0.00 0.00 55.73 54.59 1dq8 s ARG 646 Cb -0.16 -4.06 -0.05 0.00 -1.56 0.00 0.00 34.95 29.12 1dq8 s ARG 646 CO -0.08 -1.17 0.76 -0.06 -0.81 0.00 0.00 175.30 173.94 1dq8 s PHE 647 N 2.70 3.70 -0.11 5.12 0.40 -0.14 -1.81 117.98 127.84 1dq8 s PHE 647 Ca 0.17 1.44 0.01 0.00 -0.60 0.00 0.00 56.93 57.95 1dq8 s PHE 647 Cb -0.18 -2.83 0.02 0.00 0.51 0.00 0.00 43.02 40.54 1dq8 s PHE 647 CO 0.14 0.22 -0.12 -1.14 0.70 0.00 0.00 175.22 175.01 1dq8 s GLN 648 N 0.18 1.91 0.03 0.44 0.74 -0.78 -2.49 119.66 119.70 1dq8 s GLN 648 Ca 0.39 -0.44 -0.09 0.00 0.05 0.00 0.00 55.36 55.27 1dq8 s GLN 648 Cb -0.20 -1.73 0.00 0.00 1.10 0.00 0.00 33.01 32.19 1dq8 s GLN 648 CO 0.22 -0.13 0.19 0.45 -0.55 0.00 0.00 175.29 175.47 1dq8 s SER 649 N 1.20 0.02 0.80 6.67 0.15 -0.10 -0.29 113.70 122.15 1dq8 s SER 649 Ca -0.03 -0.31 -0.11 0.00 0.70 0.00 0.00 55.95 56.19 1dq8 s SER 649 Cb -0.14 0.27 0.07 0.00 -1.71 0.00 0.00 66.02 64.51 1dq8 s SER 649 CO -0.04 -0.52 1.09 -0.13 1.20 0.00 0.00 173.24 174.85 1dq8 s ARG 650 N -2.27 2.05 -0.10 5.44 1.81 -1.10 -1.04 118.95 123.75 1dq8 s ARG 650 Ca -0.07 0.80 0.12 0.00 -1.72 0.00 0.00 55.73 54.85 1dq8 s ARG 650 Cb -0.02 -1.90 0.26 0.00 -0.45 0.00 0.00 34.95 32.83 1dq8 s ARG 650 CO -0.02 -1.68 1.16 -1.13 -0.68 0.00 0.00 175.30 172.95 1dq8 n SER 651 N -3.50 -0.25 0.00 0.23 3.41 -1.24 -3.52 113.62 108.75 1dq8 n SER 651 Ca 0.07 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 1dq8 n SER 651 Cb 0.55 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 1dq8 n SER 651 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dq8 n GLY 652 N -0.24 2.90 0.72 5.00 0.00 -1.25 -2.28 105.19 110.05 1dq8 n GLY 652 Ca -0.13 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1dq8 n GLY 652 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dq8 n ASP 653 N 3.71 2.35 -4.82 1.61 8.00 -1.26 -3.39 116.55 122.74 1dq8 n ASP 653 Ca 0.00 -1.73 -0.33 0.00 0.71 0.00 0.00 54.79 53.44 1dq8 n ASP 653 Cb 0.00 0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.13 1dq8 n ASP 653 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dq8 s ALA 654 N -2.10 2.97 0.31 2.24 0.00 -0.97 -0.78 121.76 123.44 1dq8 s ALA 654 Ca 0.29 0.40 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 1dq8 s ALA 654 Cb 0.20 -3.18 0.50 0.00 0.00 0.00 0.00 23.12 20.64 1dq8 s ALA 654 CO 0.36 -0.17 1.98 1.98 0.00 0.00 0.00 175.76 179.91 1dq8 h MET 655 N 1.42 1.01 0.00 0.00 4.05 -1.75 -3.44 114.93 116.22 1dq8 h MET 655 Ca -0.48 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 58.88 1dq8 h MET 655 Cb 1.20 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.77 1dq8 h MET 655 CO 0.60 0.67 0.00 0.41 0.23 0.00 0.00 176.91 178.82 1dq8 n GLY 656 N -1.42 0.75 0.19 1.39 0.00 -1.26 -4.76 105.19 100.08 1dq8 n GLY 656 Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 1dq8 n GLY 656 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1dq8 h MET 657 N 3.79 -0.04 -0.15 1.61 2.86 -1.93 0.44 114.93 121.51 1dq8 h MET 657 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1dq8 h MET 657 Cb 0.00 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1dq8 h MET 657 CO 0.00 -0.03 0.05 -0.91 1.06 0.00 0.00 176.91 177.08 1dq8 h ASN 658 N -0.04 0.22 -0.23 1.22 4.21 -1.99 -0.37 115.58 118.59 1dq8 h ASN 658 Ca 0.19 -0.19 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1dq8 h ASN 658 Cb 0.33 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 1dq8 h ASN 658 CO -0.42 0.35 0.15 -0.03 -1.29 0.00 0.00 177.43 176.19 1dq8 h MET 659 N 0.07 0.31 -0.82 0.81 4.05 -1.91 -1.95 114.93 115.49 1dq8 h MET 659 Ca 0.05 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 1dq8 h MET 659 Cb 0.21 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.90 1dq8 h MET 659 CO -0.00 0.23 0.47 0.82 0.23 0.00 0.00 176.91 178.65 1dq8 h ILE 660 N 0.30 1.23 -0.65 1.77 1.08 -0.02 -1.84 117.51 119.38 1dq8 h ILE 660 Ca 0.08 -0.55 -0.08 0.00 -0.39 0.00 0.00 64.86 63.92 1dq8 h ILE 660 Cb -0.01 0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 33.83 1dq8 h ILE 660 CO -0.02 0.25 0.09 0.28 -0.69 0.00 0.00 178.15 178.07 1dq8 h SER 661 N 1.13 1.05 -0.20 1.72 0.02 -0.77 -0.68 113.55 115.82 1dq8 h SER 661 Ca 0.29 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1dq8 h SER 661 Cb -0.01 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 1dq8 h SER 661 CO -0.05 1.06 0.04 0.11 -1.14 0.00 0.00 176.83 176.85 1dq8 h LYS 662 N 1.01 0.33 -0.89 3.45 1.57 -1.06 -1.07 116.57 119.93 1dq8 h LYS 662 Ca 0.20 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1dq8 h LYS 662 Cb 0.46 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.68 1dq8 h LYS 662 CO 0.02 0.47 0.58 0.78 -0.57 0.00 0.00 179.45 180.73 1dq8 h GLY 663 N 0.14 1.27 0.99 3.86 0.00 -1.16 -1.41 103.07 106.76 1dq8 h GLY 663 Ca 0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1dq8 h GLY 663 CO 0.00 0.41 0.26 -0.84 0.00 0.00 0.00 176.54 176.37 1dq8 h THR 664 N 1.15 1.21 -0.21 4.70 2.02 -0.91 0.77 112.91 121.64 1dq8 h THR 664 Ca 0.34 -0.60 0.02 0.00 0.77 0.00 0.00 66.41 66.94 1dq8 h THR 664 Cb -0.06 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1dq8 h THR 664 CO -0.10 0.24 0.05 -0.08 0.37 0.00 0.00 175.52 176.01 1dq8 h GLU 665 N 0.77 0.14 -0.62 6.66 4.81 -0.62 0.16 114.58 125.88 1dq8 h GLU 665 Ca 0.19 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1dq8 h GLU 665 Cb 0.13 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1dq8 h GLU 665 CO -0.02 0.09 0.28 -0.22 -0.73 0.00 0.00 179.01 178.41 1dq8 h LYS 666 N 0.15 0.90 -0.69 1.92 1.63 -1.03 -1.63 116.57 117.82 1dq8 h LYS 666 Ca 0.09 -0.14 -0.08 0.00 -0.85 0.00 0.00 60.65 59.68 1dq8 h LYS 666 Cb 0.08 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.52 1dq8 h LYS 666 CO -0.11 0.74 0.13 0.00 -3.45 0.00 0.00 179.45 176.75 1dq8 h ALA 667 N 1.12 0.91 -0.55 5.00 0.00 -0.29 -2.10 119.26 123.36 1dq8 h ALA 667 Ca 0.21 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1dq8 h ALA 667 Cb 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1dq8 h ALA 667 CO -0.02 0.67 -0.05 -0.07 0.00 0.00 0.00 179.25 179.77 1dq8 h LEU 668 N 1.05 0.97 -1.23 0.00 3.38 -0.46 -0.02 115.31 119.00 1dq8 h LEU 668 Ca 0.21 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1dq8 h LEU 668 Cb 0.42 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1dq8 h LEU 668 CO 0.01 1.05 -0.16 0.77 0.09 0.00 0.00 178.44 180.19 1dq8 h SER 669 N 0.89 0.31 -0.21 -0.43 4.64 -1.10 0.26 113.55 117.91 1dq8 h SER 669 Ca 0.15 -0.08 -0.17 0.00 -0.47 0.00 0.00 61.79 61.22 1dq8 h SER 669 Cb 0.59 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1dq8 h SER 669 CO 0.04 0.50 -0.54 0.50 -0.87 0.00 0.00 176.83 176.46 1dq8 h LYS 670 N 0.30 0.74 -0.57 4.77 1.63 -1.07 -2.86 116.57 119.51 1dq8 h LYS 670 Ca 0.06 -0.51 -0.03 0.00 -0.85 0.00 0.00 60.65 59.32 1dq8 h LYS 670 Cb 0.47 0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.15 1dq8 h LYS 670 CO 0.03 1.14 0.25 1.25 -3.45 0.00 0.00 179.45 178.66 1dq8 h LEU 671 N 0.46 0.74 -2.12 5.20 5.85 -0.11 -1.73 115.31 123.60 1dq8 h LEU 671 Ca -0.01 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1dq8 h LEU 671 Cb 1.16 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 1dq8 h LEU 671 CO 0.12 0.65 -0.07 -0.74 -0.34 0.00 0.00 178.44 178.06 1dq8 h HIS 672 N 0.81 0.00 -0.45 1.25 2.76 -0.31 0.36 115.15 119.57 1dq8 h HIS 672 Ca 0.20 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.27 1dq8 h HIS 672 Cb 0.13 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.07 1dq8 h HIS 672 CO 0.01 0.07 -0.11 0.93 -1.30 0.00 0.00 177.93 177.53 1dq8 h GLU 673 N 0.00 0.82 0.00 5.26 5.08 -1.12 -1.72 114.58 122.91 1dq8 h GLU 673 Ca -0.00 -0.28 -0.20 0.00 -1.00 0.00 0.00 59.36 57.88 1dq8 h GLU 673 Cb 0.18 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1dq8 h GLU 673 CO 0.01 0.89 -1.02 1.88 -1.00 0.00 0.00 179.01 179.77 1dq8 h TYR 674 N 0.74 0.00 -2.47 4.33 -1.99 -1.31 -3.39 116.97 112.88 1dq8 h TYR 674 Ca 0.12 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.26 1dq8 h TYR 674 Cb 0.61 0.00 -0.41 0.00 2.00 0.00 0.00 36.73 38.93 1dq8 h TYR 674 CO 0.03 0.88 -0.77 1.19 -0.00 0.00 0.00 178.16 179.49 1dq8 n PHE 675 N -3.26 1.71 0.12 4.88 3.01 0.02 -4.94 117.46 119.00 1dq8 n PHE 675 Ca -0.02 -3.90 0.18 0.00 1.01 0.00 0.00 57.45 54.72 1dq8 n PHE 675 Cb 0.91 -0.35 0.75 0.00 -0.01 0.00 0.00 39.48 40.78 1dq8 n PHE 675 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1dq8 h PRO 676 N 4.84 0.00 0.00 -1.08 0.13 -1.54 0.11 132.00 134.46 1dq8 h PRO 676 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1dq8 h PRO 676 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1dq8 h PRO 676 CO 0.62 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.78 1dq8 n GLU 677 N -4.07 0.60 -2.58 0.86 1.02 -1.26 -4.82 120.64 110.38 1dq8 n GLU 677 Ca 0.05 0.03 -0.41 0.00 -0.02 0.00 0.00 57.16 56.80 1dq8 n GLU 677 Cb 0.44 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.32 1dq8 n GLU 677 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1dq8 s MET 678 N -2.25 4.57 -0.21 3.49 1.75 0.38 -4.45 119.30 122.58 1dq8 s MET 678 Ca 0.32 1.61 -0.07 0.00 -1.25 0.00 0.00 55.69 56.29 1dq8 s MET 678 Cb 0.17 -3.36 -0.04 0.00 2.84 0.00 0.00 34.83 34.45 1dq8 s MET 678 CO 0.33 -0.00 0.06 -1.14 -0.65 0.00 0.00 175.02 173.62 1dq8 s GLN 679 N 0.37 3.83 -0.62 4.11 0.74 0.12 -4.94 119.66 123.27 1dq8 s GLN 679 Ca 0.52 -0.41 -0.23 0.00 0.05 0.00 0.00 55.36 55.29 1dq8 s GLN 679 Cb -0.26 -3.25 0.06 0.00 1.10 0.00 0.00 33.01 30.66 1dq8 s GLN 679 CO 0.31 0.08 0.97 0.42 -0.55 0.00 0.00 175.29 176.52 1dq8 s ILE 680 N 0.89 4.32 0.03 -2.34 1.01 -1.26 0.34 121.20 124.19 1dq8 s ILE 680 Ca 0.04 -0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.40 1dq8 s ILE 680 Cb -0.14 -4.64 -0.21 0.00 0.01 0.00 0.00 42.46 37.48 1dq8 s ILE 680 CO 0.03 -1.35 1.16 0.25 0.00 0.00 0.00 174.94 175.02 1dq8 h LEU 681 N 11.30 0.62 -7.00 2.97 5.85 -1.54 -3.47 115.31 124.04 1dq8 h LEU 681 Ca -0.28 -0.71 -0.03 0.00 0.84 0.00 0.00 57.88 57.70 1dq8 h LEU 681 Cb 1.07 -0.19 -0.22 0.00 0.37 0.00 0.00 40.66 41.70 1dq8 h LEU 681 CO 1.15 1.24 0.17 0.00 -0.34 0.00 0.00 178.44 180.66 1dq8 s ALA 682 N -3.40 -1.80 0.39 1.25 0.00 -0.83 -5.00 121.76 112.36 1dq8 s ALA 682 Ca -0.13 1.99 0.27 0.00 0.00 0.00 0.00 51.96 54.09 1dq8 s ALA 682 Cb 0.05 -1.18 1.39 0.00 0.00 0.00 0.00 23.12 23.38 1dq8 s ALA 682 CO 0.84 -0.33 2.05 -0.24 0.00 0.00 0.00 175.76 178.08 1dq8 h VAL 683 N 3.93 0.59 -3.60 0.00 3.04 -1.91 -0.55 116.25 117.75 1dq8 h VAL 683 Ca -0.29 -0.59 -0.60 0.00 -1.01 0.00 0.00 66.70 64.21 1dq8 h VAL 683 Cb 1.16 1.38 -0.38 0.00 -2.01 0.00 0.00 31.29 31.44 1dq8 h VAL 683 CO 0.07 0.13 -0.79 -0.55 -1.01 0.00 0.00 177.57 175.42 1dq8 s SER 684 N -6.19 3.74 -0.37 3.17 0.15 -1.26 -2.96 113.70 109.98 1dq8 s SER 684 Ca -0.03 -1.12 0.07 0.00 0.70 0.00 0.00 55.95 55.58 1dq8 s SER 684 Cb 0.13 -1.15 0.67 0.00 -1.71 0.00 0.00 66.02 63.96 1dq8 s SER 684 CO 0.59 -0.23 1.79 0.61 1.20 0.00 0.00 173.24 177.20 1dq8 n GLY 685 N 4.70 4.23 2.58 9.45 0.00 0.15 -4.74 105.19 121.55 1dq8 n GLY 685 Ca -0.12 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.73 1dq8 n GLY 685 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dq8 n ASN 686 N -0.75 -5.04 -1.08 1.61 4.13 -1.25 -4.83 115.26 108.05 1dq8 n ASN 686 Ca 0.47 0.23 0.12 0.00 1.68 0.00 0.00 54.58 57.08 1dq8 n ASN 686 Cb 1.44 -3.36 0.25 0.00 -1.54 0.00 0.00 39.78 36.57 1dq8 n ASN 686 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1dq8 n TYR 687 N -2.42 0.52 0.50 3.10 9.36 -1.16 -4.58 117.16 122.47 1dq8 n TYR 687 Ca -0.09 -0.26 -0.20 0.00 3.32 0.00 0.00 57.90 60.67 1dq8 n TYR 687 Cb 0.46 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.08 1dq8 n TYR 687 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1dq8 s THR 689 N -5.73 4.41 -0.23 0.00 2.01 -1.26 -4.68 115.64 110.15 1dq8 s THR 689 Ca -0.19 -0.26 -0.06 0.00 0.31 0.00 0.00 61.69 61.49 1dq8 s THR 689 Cb 0.02 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.63 1dq8 s THR 689 CO 0.57 0.57 0.03 -0.62 -0.69 0.00 0.00 174.62 174.48 1dq8 s ASP 690 N -1.02 4.91 -1.63 3.53 2.15 -1.26 -4.65 116.67 118.70 1dq8 s ASP 690 Ca 0.15 -0.24 0.00 0.00 0.43 0.00 0.00 52.55 52.89 1dq8 s ASP 690 Cb -0.11 -1.87 0.00 0.00 -0.30 0.00 0.00 42.92 40.64 1dq8 s ASP 690 CO 0.04 -0.01 0.00 0.29 -0.17 0.00 0.00 175.17 175.32 1dq8 n LYS 691 N 4.75 -1.29 -3.93 4.34 5.02 -1.26 -5.00 118.16 120.80 1dq8 n LYS 691 Ca -0.17 0.96 -0.10 0.00 -2.02 0.00 0.00 58.31 56.98 1dq8 n LYS 691 Cb 0.51 -5.31 -0.12 0.00 -0.02 0.00 0.00 35.03 30.10 1dq8 n LYS 691 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1dq8 s LYS 692 N -4.19 0.21 0.25 1.97 3.01 -1.26 -4.94 119.74 114.78 1dq8 s LYS 692 Ca 0.00 -0.35 -0.30 0.00 -1.01 0.00 0.00 55.97 54.31 1dq8 s LYS 692 Cb 0.00 0.08 -0.10 0.00 -1.01 0.00 0.00 37.83 36.80 1dq8 s LYS 692 CO 0.00 -0.03 1.40 -1.25 0.51 0.00 0.00 175.35 175.98 1dq8 s PRO 693 N -0.88 4.29 -0.25 -1.68 0.04 -1.26 -4.74 135.00 130.52 1dq8 s PRO 693 Ca -0.10 2.26 -0.19 0.00 0.04 0.00 0.00 61.00 63.01 1dq8 s PRO 693 Cb -0.06 -3.12 0.07 0.00 0.04 0.00 0.00 34.50 31.43 1dq8 s PRO 693 CO -0.00 -0.37 0.64 0.00 0.04 0.00 0.00 177.00 177.31 1dq8 s ALA 694 N -0.15 -1.63 0.44 8.56 0.00 -1.26 -5.03 121.76 122.69 1dq8 s ALA 694 Ca 0.57 1.97 0.16 0.00 0.00 0.00 0.00 51.96 54.67 1dq8 s ALA 694 Cb -0.41 -1.15 1.06 0.00 0.00 0.00 0.00 23.12 22.61 1dq8 s ALA 694 CO 0.44 -0.32 1.99 0.00 0.00 0.00 0.00 175.76 177.87 1dq8 h ALA 695 N 5.85 1.60 -0.70 0.00 0.00 -1.94 -2.76 119.26 121.30 1dq8 h ALA 695 Ca -0.30 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1dq8 h ALA 695 Cb 1.19 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1dq8 h ALA 695 CO 0.13 0.24 0.35 0.97 0.00 0.00 0.00 179.25 180.94 1dq8 h ILE 696 N 0.00 1.22 -0.44 0.00 2.10 -1.98 0.28 117.51 118.69 1dq8 h ILE 696 Ca -0.00 -0.60 -0.09 0.00 1.08 0.00 0.00 64.86 65.25 1dq8 h ILE 696 Cb 0.36 0.31 -0.01 0.00 -1.09 0.00 0.00 36.82 36.39 1dq8 h ILE 696 CO 0.02 0.26 -0.07 0.78 -1.08 0.00 0.00 178.15 178.06 1dq8 h ASN 697 N 0.98 0.83 -0.41 2.19 2.35 -1.77 0.18 115.58 119.93 1dq8 h ASN 697 Ca 0.24 -0.35 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1dq8 h ASN 697 Cb 0.08 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1dq8 h ASN 697 CO -0.03 0.98 0.25 -0.25 -1.65 0.00 0.00 177.43 176.73 1dq8 h TRP 698 N 0.67 0.54 0.23 1.19 2.91 -1.41 0.17 115.95 120.25 1dq8 h TRP 698 Ca 0.12 -0.00 -0.34 0.00 1.13 0.00 0.00 58.89 59.80 1dq8 h TRP 698 Cb 0.60 -0.18 0.03 0.00 -0.51 0.00 0.00 29.16 29.10 1dq8 h TRP 698 CO 0.05 0.38 -1.56 0.82 -1.03 0.00 0.00 178.44 177.10 1dq8 h ILE 699 N 0.55 1.16 0.00 2.65 2.04 -0.88 -3.38 117.51 119.65 1dq8 h ILE 699 Ca 0.15 -2.62 -0.03 0.00 1.00 0.00 0.00 64.86 63.36 1dq8 h ILE 699 Cb -0.01 2.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 1dq8 h ILE 699 CO -0.03 0.82 -1.48 -0.62 0.00 0.00 0.00 178.15 176.85 1dq8 n GLU 700 N -3.69 0.63 0.00 2.37 4.71 0.61 -5.09 120.64 120.18 1dq8 n GLU 700 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.96 1dq8 n GLU 700 Cb 1.08 -1.70 0.00 0.00 -1.01 0.00 0.00 31.44 29.82 1dq8 n GLU 700 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1dq8 n GLY 701 N 1.25 -0.74 3.57 0.62 0.00 0.58 -5.03 105.19 105.45 1dq8 n GLY 701 Ca -0.04 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 1dq8 n GLY 701 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dq8 s ARG 702 N -3.11 0.69 7.47 1.61 3.52 -1.04 -4.70 118.95 123.39 1dq8 s ARG 702 Ca 0.00 1.09 0.00 0.00 -0.13 0.00 0.00 55.73 56.69 1dq8 s ARG 702 Cb 0.00 0.18 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 1dq8 s ARG 702 CO 0.00 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.76 1dq8 n GLY 703 N 3.90 2.47 3.55 8.12 0.00 -0.07 -3.05 105.19 120.11 1dq8 n GLY 703 Ca -0.19 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 1dq8 n GLY 703 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dq8 s LYS 704 N 0.00 3.83 -0.23 1.61 3.01 0.10 -0.33 119.74 127.74 1dq8 s LYS 704 Ca 0.00 -0.41 -0.12 0.00 -1.01 0.00 0.00 55.97 54.43 1dq8 s LYS 704 Cb 0.00 -3.25 -0.05 0.00 -1.01 0.00 0.00 37.83 33.53 1dq8 s LYS 704 CO 0.00 0.09 0.24 -1.12 0.51 0.00 0.00 175.35 175.07 1dq8 s SER 705 N 0.87 6.21 0.05 2.83 0.01 -0.64 -0.81 113.70 122.21 1dq8 s SER 705 Ca 0.03 0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.55 1dq8 s SER 705 Cb -0.14 -2.15 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 1dq8 s SER 705 CO 0.02 0.01 -0.08 -0.69 0.41 0.00 0.00 173.24 172.91 1dq8 s VAL 706 N 1.20 0.61 0.03 3.43 1.01 0.34 0.11 120.40 127.13 1dq8 s VAL 706 Ca 0.11 -1.23 0.03 0.00 0.00 0.00 0.00 61.98 60.90 1dq8 s VAL 706 Cb -0.14 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1dq8 s VAL 706 CO 0.06 -0.45 -0.10 0.54 0.00 0.00 0.00 175.10 175.15 1dq8 s VAL 707 N -1.71 0.78 0.05 2.92 0.11 -0.78 -0.31 120.40 121.47 1dq8 s VAL 707 Ca -0.06 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.11 1dq8 s VAL 707 Cb -0.08 -0.74 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 1dq8 s VAL 707 CO -0.00 -0.11 -0.05 0.00 -3.33 0.00 0.00 175.10 171.61 1dq8 s GLU 709 N -2.86 1.32 -0.05 0.00 -1.05 0.07 -1.85 118.70 114.27 1dq8 s GLU 709 Ca -0.01 -0.71 -0.30 0.00 -0.15 0.00 0.00 54.97 53.80 1dq8 s GLU 709 Cb -0.00 0.54 0.11 0.00 -0.44 0.00 0.00 34.13 34.34 1dq8 s GLU 709 CO -0.05 -0.56 0.97 0.00 0.95 0.00 0.00 175.26 176.57 1dq8 s ALA 710 N -3.82 -1.88 -0.13 -0.84 0.00 -0.84 -1.40 121.76 112.84 1dq8 s ALA 710 Ca 0.05 1.17 0.02 0.00 0.00 0.00 0.00 51.96 53.20 1dq8 s ALA 710 Cb -0.01 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.39 1dq8 s ALA 710 CO -0.07 -0.66 -0.21 0.08 0.00 0.00 0.00 175.76 174.90 1dq8 s VAL 711 N -2.91 1.97 -0.30 0.00 1.01 -1.26 -1.74 120.40 117.19 1dq8 s VAL 711 Ca 0.06 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 1dq8 s VAL 711 Cb -0.01 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 1dq8 s VAL 711 CO -0.08 0.53 0.14 -0.63 0.00 0.00 0.00 175.10 175.06 1dq8 s ILE 712 N 0.82 4.56 0.40 2.22 -1.09 0.16 -4.62 121.20 123.64 1dq8 s ILE 712 Ca -0.08 -0.36 -0.25 0.00 -2.23 0.00 0.00 60.65 57.74 1dq8 s ILE 712 Cb -0.16 -3.28 -0.12 0.00 -1.58 0.00 0.00 42.46 37.33 1dq8 s ILE 712 CO -0.01 0.13 0.92 -2.65 -1.23 0.00 0.00 174.94 172.09 1dq8 n PRO 713 N 4.97 1.19 -0.27 2.79 -0.02 -1.26 -0.40 135.00 141.99 1dq8 n PRO 713 Ca -0.14 0.43 0.07 0.00 -2.02 0.00 0.00 63.50 61.83 1dq8 n PRO 713 Cb 0.50 -1.90 0.21 0.00 -0.02 0.00 0.00 33.50 32.29 1dq8 n PRO 713 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dq8 h ALA 714 N 1.47 1.15 -0.78 3.55 0.00 -1.92 -1.02 119.26 121.70 1dq8 h ALA 714 Ca -0.43 0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1dq8 h ALA 714 Cb 1.35 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 1dq8 h ALA 714 CO 0.56 -0.20 0.49 -0.22 0.00 0.00 0.00 179.25 179.88 1dq8 h LYS 715 N 0.47 0.92 -0.66 0.00 3.64 -1.90 -2.48 116.57 116.57 1dq8 h LYS 715 Ca 0.44 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.68 1dq8 h LYS 715 Cb 0.69 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1dq8 h LYS 715 CO -0.41 0.61 0.09 0.28 -2.27 0.00 0.00 179.45 177.74 1dq8 h VAL 716 N 0.95 1.26 -0.76 2.00 2.07 -1.56 -0.78 116.25 119.44 1dq8 h VAL 716 Ca 0.32 -1.07 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1dq8 h VAL 716 Cb 0.04 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1dq8 h VAL 716 CO -0.12 0.40 0.49 0.58 0.02 0.00 0.00 177.57 178.93 1dq8 h VAL 717 N 1.03 1.14 0.10 2.57 2.07 -0.96 0.15 116.25 122.35 1dq8 h VAL 717 Ca 0.20 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1dq8 h VAL 717 Cb 0.47 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1dq8 h VAL 717 CO 0.02 0.18 -0.05 0.03 0.02 0.00 0.00 177.57 177.77 1dq8 h ARG 718 N 0.97 -0.12 0.04 1.57 3.08 -1.24 -1.90 114.38 116.78 1dq8 h ARG 718 Ca 0.29 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 1dq8 h ARG 718 Cb -0.04 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1dq8 h ARG 718 CO -0.09 0.32 -0.02 0.93 -1.07 0.00 0.00 179.97 180.04 1dq8 h GLU 719 N -0.62 -0.05 0.00 0.04 5.08 -1.02 -2.56 114.58 115.46 1dq8 h GLU 719 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1dq8 h GLU 719 Cb 0.50 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1dq8 h GLU 719 CO 0.02 0.62 -0.00 0.28 -1.00 0.00 0.00 179.01 178.93 1dq8 h VAL 720 N -0.82 1.45 -0.00 3.13 2.07 -0.91 -3.38 116.25 117.80 1dq8 h VAL 720 Ca -0.00 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1dq8 h VAL 720 Cb 0.69 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1dq8 h VAL 720 CO 0.01 0.49 -0.08 0.18 0.02 0.00 0.00 177.57 178.19 1dq8 n LEU 721 N -4.65 0.08 -3.14 2.57 4.77 -1.08 -4.95 117.00 110.60 1dq8 n LEU 721 Ca -0.08 0.41 -0.23 0.00 -0.03 0.00 0.00 56.01 56.08 1dq8 n LEU 721 Cb 0.38 -0.45 0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1dq8 n LEU 721 CO 0.28 0.02 0.05 0.29 -1.33 0.00 0.00 177.39 176.69 1dq8 n LYS 722 N -1.49 -5.50 0.00 3.23 4.76 -0.77 -4.62 118.16 113.77 1dq8 n LYS 722 Ca 0.07 0.89 0.00 0.00 -2.87 0.00 0.00 58.31 56.40 1dq8 n LYS 722 Cb 0.34 -5.80 0.00 0.00 -1.84 0.00 0.00 35.03 27.73 1dq8 n LYS 722 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1dq8 n THR 723 N -4.62 0.00 -4.24 -0.18 5.66 -0.89 -4.79 114.28 105.23 1dq8 n THR 723 Ca -0.09 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.71 1dq8 n THR 723 Cb 0.61 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.27 1dq8 n THR 723 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1dq8 s THR 724 N -1.55 1.22 0.19 1.09 2.01 -1.26 -3.14 115.64 114.20 1dq8 s THR 724 Ca 0.00 -1.28 -0.12 0.00 0.31 0.00 0.00 61.69 60.60 1dq8 s THR 724 Cb 0.00 -1.14 0.10 0.00 0.01 0.00 0.00 72.50 71.47 1dq8 s THR 724 CO 0.00 -0.14 1.79 0.74 -0.69 0.00 0.00 174.62 176.32 1dq8 h THR 725 N 4.30 0.95 -0.61 -0.82 2.02 -1.91 -1.35 112.91 115.50 1dq8 h THR 725 Ca -0.41 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1dq8 h THR 725 Cb 1.19 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1dq8 h THR 725 CO 0.41 0.10 0.33 -0.08 0.37 0.00 0.00 175.52 176.65 1dq8 h GLU 726 N 0.55 0.85 -0.47 6.66 4.81 -1.94 -2.17 114.58 122.87 1dq8 h GLU 726 Ca 0.25 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1dq8 h GLU 726 Cb 0.15 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1dq8 h GLU 726 CO -0.17 0.64 0.19 0.00 -0.73 0.00 0.00 179.01 178.94 1dq8 h ALA 727 N 1.16 0.62 -0.01 2.92 0.00 -1.88 -1.83 119.26 120.23 1dq8 h ALA 727 Ca 0.21 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1dq8 h ALA 727 Cb 0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1dq8 h ALA 727 CO -0.03 0.23 -0.19 0.52 0.00 0.00 0.00 179.25 179.78 1dq8 h MET 728 N 0.63 -0.29 -0.83 0.00 2.86 -1.01 -0.75 114.93 115.52 1dq8 h MET 728 Ca 0.16 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.87 1dq8 h MET 728 Cb 0.20 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.87 1dq8 h MET 728 CO -0.01 -0.19 0.52 0.82 1.06 0.00 0.00 176.91 179.10 1dq8 h ILE 729 N -0.30 1.06 -0.61 -1.22 2.04 -1.28 0.33 117.51 117.52 1dq8 h ILE 729 Ca 0.06 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 1dq8 h ILE 729 Cb 0.38 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 1dq8 h ILE 729 CO -0.18 0.18 0.18 -0.08 0.00 0.00 0.00 178.15 178.24 1dq8 h GLU 730 N 0.96 0.96 -0.22 2.37 4.57 -0.93 -1.49 114.58 120.80 1dq8 h GLU 730 Ca 0.35 -0.21 -0.16 0.00 -1.18 0.00 0.00 59.36 58.17 1dq8 h GLU 730 Cb 0.12 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1dq8 h GLU 730 CO -0.16 0.86 -0.50 0.28 -1.18 0.00 0.00 179.01 178.31 1dq8 h VAL 731 N 0.88 1.31 -0.21 0.32 2.07 -0.64 -2.52 116.25 117.46 1dq8 h VAL 731 Ca 0.20 -1.72 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 1dq8 h VAL 731 Cb 0.31 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1dq8 h VAL 731 CO -0.00 0.54 0.04 -1.13 0.02 0.00 0.00 177.57 177.03 1dq8 h ASN 732 N 0.48 0.34 -0.15 0.57 -1.24 -0.59 0.07 115.58 115.06 1dq8 h ASN 732 Ca 0.02 -0.26 -0.01 0.00 0.71 0.00 0.00 56.30 56.77 1dq8 h ASN 732 Cb 1.05 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 40.00 1dq8 h ASN 732 CO 0.10 0.51 0.07 0.40 -1.29 0.00 0.00 177.43 177.22 1dq8 h ILE 733 N 0.15 1.12 0.00 2.57 2.04 -1.30 -0.61 117.51 121.49 1dq8 h ILE 733 Ca 0.06 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1dq8 h ILE 733 Cb 0.31 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1dq8 h ILE 733 CO 0.00 0.11 0.00 0.59 0.00 0.00 0.00 178.15 178.86 1dq8 n ASN 734 N -4.91 0.75 -0.04 1.72 3.02 -0.95 -0.65 115.26 114.20 1dq8 n ASN 734 Ca -0.05 0.57 -0.04 0.00 -0.03 0.00 0.00 54.58 55.04 1dq8 n ASN 734 Cb 0.09 -0.77 -0.01 0.00 -0.61 0.00 0.00 39.78 38.47 1dq8 n ASN 734 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1dq8 n LYS 735 N -2.21 0.24 0.24 3.52 4.81 0.00 -2.18 118.16 122.59 1dq8 n LYS 735 Ca 0.06 0.10 0.11 0.00 -0.87 0.00 0.00 58.31 57.71 1dq8 n LYS 735 Cb 0.42 -0.88 0.53 0.00 0.02 0.00 0.00 35.03 35.12 1dq8 n LYS 735 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1dq8 h ASN 736 N -0.46 0.00 0.00 3.14 2.35 -1.25 -2.50 115.58 116.86 1dq8 h ASN 736 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1dq8 h ASN 736 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1dq8 h ASN 736 CO 0.00 0.18 -0.08 0.18 -1.65 0.00 0.00 177.43 176.06 1dq8 n LEU 737 N -3.38 0.19 -0.18 1.61 4.77 -1.08 -4.20 117.00 114.73 1dq8 n LEU 737 Ca -0.00 0.03 -0.07 0.00 -0.03 0.00 0.00 56.01 55.94 1dq8 n LEU 737 Cb 0.38 -0.39 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1dq8 n LEU 737 CO 0.32 -0.49 1.05 0.58 -1.33 0.00 0.00 177.39 177.52 1dq8 h VAL 738 N -0.08 1.16 -0.15 4.08 2.07 -1.06 -1.79 116.25 120.48 1dq8 h VAL 738 Ca 0.00 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1dq8 h VAL 738 Cb 0.08 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1dq8 h VAL 738 CO 0.00 0.17 0.05 1.23 0.02 0.00 0.00 177.57 179.04 1dq8 h GLY 739 N 0.70 0.24 1.10 2.17 0.00 -1.02 -0.91 103.07 105.35 1dq8 h GLY 739 Ca 0.19 -0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.40 1dq8 h GLY 739 CO -0.03 0.13 0.56 1.76 0.00 0.00 0.00 176.54 178.95 1dq8 h SER 740 N 0.07 0.94 -0.21 0.19 0.02 -1.41 -0.33 113.55 112.82 1dq8 h SER 740 Ca 0.05 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1dq8 h SER 740 Cb 0.19 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1dq8 h SER 740 CO -0.00 0.66 0.07 0.00 -1.14 0.00 0.00 176.83 176.42 1dq8 h ALA 741 N 1.49 0.28 -0.26 3.77 0.00 -1.02 -1.19 119.26 122.33 1dq8 h ALA 741 Ca 0.33 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1dq8 h ALA 741 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1dq8 h ALA 741 CO -0.09 -0.10 0.09 0.52 0.00 0.00 0.00 179.25 179.67 1dq8 h MET 742 N 0.18 0.35 -0.00 0.00 2.86 -0.49 -1.64 114.93 116.19 1dq8 h MET 742 Ca 0.07 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1dq8 h MET 742 Cb 0.22 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1dq8 h MET 742 CO -0.00 0.31 -0.04 0.00 1.06 0.00 0.00 176.91 178.24 1dq8 n ALA 743 N -2.49 2.60 -2.70 6.32 0.00 -0.20 -4.93 120.51 119.12 1dq8 n ALA 743 Ca 0.01 -0.19 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 1dq8 n ALA 743 Cb 0.14 -1.44 0.04 0.00 0.00 0.00 0.00 19.45 18.19 1dq8 n ALA 743 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dq8 n GLY 744 N 1.26 0.10 3.84 0.00 0.00 -0.62 -5.01 105.19 104.76 1dq8 n GLY 744 Ca 0.15 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1dq8 n GLY 744 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dq8 s SER 745 N -3.56 6.83 -0.31 1.61 0.15 -0.50 -5.04 113.70 112.87 1dq8 s SER 745 Ca 0.03 1.03 0.02 0.00 0.70 0.00 0.00 55.95 57.74 1dq8 s SER 745 Cb -0.02 -2.27 0.08 0.00 -1.71 0.00 0.00 66.02 62.10 1dq8 s SER 745 CO 0.33 0.18 0.00 -0.63 1.20 0.00 0.00 173.24 174.33 1dq8 s ILE 746 N -1.33 2.40 0.00 6.45 -1.09 -1.26 -4.73 121.20 121.65 1dq8 s ILE 746 Ca 0.33 -1.97 0.00 0.00 -2.23 0.00 0.00 60.65 56.78 1dq8 s ILE 746 Cb -0.16 -2.59 0.00 0.00 -1.58 0.00 0.00 42.46 38.13 1dq8 s ILE 746 CO 0.18 -0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.15 1dq8 n GLY 747 N 4.38 0.97 2.76 6.18 0.00 -1.26 -4.93 105.19 113.30 1dq8 n GLY 747 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1dq8 n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dq8 n GLY 748 N -2.00 5.81 2.69 -0.02 0.00 -1.26 -1.53 105.19 108.88 1dq8 n GLY 748 Ca 0.00 -2.60 -0.38 0.00 0.00 0.00 0.00 46.02 43.03 1dq8 n GLY 748 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1dq8 n TYR 749 N -0.34 2.63 -4.02 1.61 4.02 -0.80 -4.81 117.16 115.44 1dq8 n TYR 749 Ca 0.46 -2.41 -0.11 0.00 -0.01 0.00 0.00 57.90 55.83 1dq8 n TYR 749 Cb 0.34 -1.32 -0.04 0.00 -0.02 0.00 0.00 39.34 38.29 1dq8 n TYR 749 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1dq8 s ASN 750 N -0.72 0.25 -0.15 7.72 2.20 -1.22 -0.41 114.94 122.60 1dq8 s ASN 750 Ca 0.49 -1.15 -0.12 0.00 -0.94 0.00 0.00 52.86 51.14 1dq8 s ASN 750 Cb 0.31 0.63 -0.08 0.00 -2.00 0.00 0.00 41.25 40.10 1dq8 s ASN 750 CO -0.24 -1.23 0.01 0.00 -2.94 0.00 0.00 177.10 172.70 1dq8 h ALA 751 N 2.20 0.07 -0.22 3.54 0.00 -1.93 -3.46 119.26 119.46 1dq8 h ALA 751 Ca -0.28 -0.62 -0.24 0.00 0.00 0.00 0.00 54.91 53.78 1dq8 h ALA 751 Cb 1.25 0.46 -0.21 0.00 0.00 0.00 0.00 17.79 19.28 1dq8 h ALA 751 CO 0.38 0.45 -0.55 -2.39 0.00 0.00 0.00 179.25 177.14 1dq8 n HIS 752 N -4.59 -1.49 -0.05 0.00 1.44 -1.26 -4.95 115.22 104.31 1dq8 n HIS 752 Ca -0.13 -2.08 0.13 0.00 -2.01 0.00 0.00 57.72 53.64 1dq8 n HIS 752 Cb 0.35 1.11 0.54 0.00 0.12 0.00 0.00 29.99 32.11 1dq8 n HIS 752 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1dq8 h ALA 753 N 2.08 2.11 -0.11 1.59 0.00 -1.88 -0.93 119.26 122.12 1dq8 h ALA 753 Ca -0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1dq8 h ALA 753 Cb 1.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1dq8 h ALA 753 CO 0.04 -0.25 0.02 0.00 0.00 0.00 0.00 179.25 179.07 1dq8 h ALA 754 N 1.72 1.83 -0.33 0.00 0.00 -1.93 -1.25 119.26 119.30 1dq8 h ALA 754 Ca 0.26 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1dq8 h ALA 754 Cb 0.62 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1dq8 h ALA 754 CO -0.06 0.14 0.03 -0.91 0.00 0.00 0.00 179.25 178.44 1dq8 h ASN 755 N 0.16 0.54 -0.01 0.00 2.35 -1.57 -1.51 115.58 115.53 1dq8 h ASN 755 Ca 0.04 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 1dq8 h ASN 755 Cb 0.07 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1dq8 h ASN 755 CO -0.00 0.69 -0.02 0.40 -1.65 0.00 0.00 177.43 176.85 1dq8 h ILE 756 N 0.37 1.41 -0.23 2.81 1.08 -1.54 -2.29 117.51 119.13 1dq8 h ILE 756 Ca 0.10 -1.24 0.06 0.00 -0.39 0.00 0.00 64.86 63.39 1dq8 h ILE 756 Cb 0.40 2.22 -0.06 0.00 -3.07 0.00 0.00 36.82 36.30 1dq8 h ILE 756 CO 0.01 0.33 -0.18 0.58 -0.69 0.00 0.00 178.15 178.19 1dq8 h VAL 757 N -0.47 0.50 -0.75 1.67 2.07 -1.29 -0.95 116.25 117.04 1dq8 h VAL 757 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1dq8 h VAL 757 Cb 0.54 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1dq8 h VAL 757 CO 0.00 0.00 0.49 0.74 0.02 0.00 0.00 177.57 178.83 1dq8 h THR 758 N -0.18 1.18 -0.35 2.57 2.02 -1.32 0.52 112.91 117.35 1dq8 h THR 758 Ca 0.13 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 1dq8 h THR 758 Cb 0.38 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1dq8 h THR 758 CO -0.34 0.18 0.01 0.00 0.37 0.00 0.00 175.52 175.75 1dq8 h ALA 759 N 1.28 0.47 -0.37 6.16 0.00 -0.79 -1.35 119.26 124.67 1dq8 h ALA 759 Ca 0.28 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1dq8 h ALA 759 Cb -0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1dq8 h ALA 759 CO -0.07 0.22 -0.32 0.82 0.00 0.00 0.00 179.25 179.90 1dq8 h ILE 760 N 0.43 1.28 -0.38 0.00 2.04 -1.08 -1.19 117.51 118.61 1dq8 h ILE 760 Ca 0.10 -1.48 -0.00 0.00 1.00 0.00 0.00 64.86 64.48 1dq8 h ILE 760 Cb 0.44 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1dq8 h ILE 760 CO 0.02 0.49 0.22 1.88 0.00 0.00 0.00 178.15 180.75 1dq8 h TYR 761 N 0.68 0.51 -0.44 1.37 -1.99 -0.66 0.17 116.97 116.61 1dq8 h TYR 761 Ca 0.07 -0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.72 1dq8 h TYR 761 Cb 0.87 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 39.42 1dq8 h TYR 761 CO 0.05 0.38 -0.01 0.82 -0.00 0.00 0.00 178.16 179.40 1dq8 h ILE 762 N 0.49 1.26 -0.63 -2.88 2.04 -1.22 0.25 117.51 116.82 1dq8 h ILE 762 Ca 0.13 -1.06 -0.07 0.00 1.00 0.00 0.00 64.86 64.87 1dq8 h ILE 762 Cb 0.03 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1dq8 h ILE 762 CO -0.02 0.36 0.12 0.00 0.00 0.00 0.00 178.15 178.61 1dq8 h ALA 763 N 0.90 1.03 -0.49 1.87 0.00 -1.10 -3.22 119.26 118.25 1dq8 h ALA 763 Ca 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1dq8 h ALA 763 Cb 0.51 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1dq8 h ALA 763 CO 0.02 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.90 1dq8 n GLY 765 N 0.71 0.77 3.05 0.00 0.00 -0.90 -4.64 105.19 104.18 1dq8 n GLY 765 Ca 0.22 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 1dq8 n GLY 765 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dq8 n GLN 766 N -2.47 -0.66 -3.29 1.61 1.13 0.03 -3.06 117.38 110.67 1dq8 n GLN 766 Ca -0.13 -1.80 -0.44 0.00 -1.94 0.00 0.00 57.00 52.68 1dq8 n GLN 766 Cb 0.48 -0.89 -0.07 0.00 0.11 0.00 0.00 30.24 29.87 1dq8 n GLN 766 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1dq8 s ASP 767 N -4.62 6.18 0.58 1.08 -1.08 -1.26 -4.74 116.67 112.81 1dq8 s ASP 767 Ca 0.57 -1.09 0.35 0.00 -0.52 0.00 0.00 52.55 51.86 1dq8 s ASP 767 Cb -0.02 -2.23 1.75 0.00 -1.46 0.00 0.00 42.92 40.96 1dq8 s ASP 767 CO 0.39 -0.74 2.15 0.00 0.52 0.00 0.00 175.17 177.49 1dq8 h ALA 768 N 8.85 1.11 0.00 3.66 0.00 -1.94 -1.58 119.26 129.35 1dq8 h ALA 768 Ca -0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1dq8 h ALA 768 Cb 1.10 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1dq8 h ALA 768 CO 0.90 0.05 -0.13 0.00 0.00 0.00 0.00 179.25 180.08 1dq8 h ALA 769 N 1.96 1.31 0.00 0.00 0.00 -2.01 -1.06 119.26 119.46 1dq8 h ALA 769 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1dq8 h ALA 769 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1dq8 h ALA 769 CO 0.01 0.16 0.00 1.04 0.00 0.00 0.00 179.25 180.45 1dq8 n GLN 770 N -3.69 0.75 0.31 0.00 6.02 -0.60 -2.84 117.38 117.33 1dq8 n GLN 770 Ca -0.02 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.16 1dq8 n GLN 770 Cb 0.24 -1.43 1.00 0.00 1.02 0.00 0.00 30.24 31.07 1dq8 n GLN 770 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1dq8 h ASN 771 N 0.00 0.00 0.04 1.08 -1.24 -1.35 0.94 115.58 115.04 1dq8 h ASN 771 Ca 0.00 0.00 0.03 0.00 0.71 0.00 0.00 56.30 57.04 1dq8 h ASN 771 Cb 0.00 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 1dq8 h ASN 771 CO 0.00 0.02 -0.29 0.58 -1.29 0.00 0.00 177.43 176.45 1dq8 h VAL 772 N 0.00 0.36 0.00 2.57 2.07 -1.76 -2.43 116.25 117.07 1dq8 h VAL 772 Ca -0.00 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.23 1dq8 h VAL 772 Cb 0.13 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 1dq8 h VAL 772 CO 0.00 0.00 -2.04 0.61 0.02 0.00 0.00 177.57 176.16 1dq8 n GLY 773 N -1.40 -1.03 0.30 2.17 0.00 -1.07 -4.18 105.19 99.98 1dq8 n GLY 773 Ca -0.05 -0.25 0.17 0.00 0.00 0.00 0.00 46.02 45.89 1dq8 n GLY 773 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1dq8 h SER 774 N 0.00 0.00 1.24 1.61 0.02 -0.82 -1.66 113.55 113.95 1dq8 h SER 774 Ca -0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1dq8 h SER 774 Cb 1.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.52 1dq8 h SER 774 CO 0.04 0.04 0.00 -1.20 -1.14 0.00 0.00 176.83 174.58 1dq8 n SER 775 N -3.45 0.69 -4.58 3.07 7.64 -0.91 -4.47 113.62 111.60 1dq8 n SER 775 Ca -0.02 0.59 -0.50 0.00 1.01 0.00 0.00 58.87 59.94 1dq8 n SER 775 Cb 0.16 -0.76 -0.05 0.00 -1.01 0.00 0.00 64.21 62.55 1dq8 n SER 775 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1dq8 n ASN 776 N -2.17 1.50 -3.64 6.43 5.03 -0.63 -4.61 115.26 117.18 1dq8 n ASN 776 Ca 0.05 1.13 -0.08 0.00 0.87 0.00 0.00 54.58 56.55 1dq8 n ASN 776 Cb 0.37 -1.20 -0.07 0.00 -1.02 0.00 0.00 39.78 37.86 1dq8 n ASN 776 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1dq8 s ILE 778 N 0.47 2.60 -0.25 0.00 2.07 -0.62 -1.91 121.20 123.55 1dq8 s ILE 778 Ca 0.01 -0.86 -0.11 0.00 -1.41 0.00 0.00 60.65 58.28 1dq8 s ILE 778 Cb -0.05 -2.19 -0.05 0.00 0.13 0.00 0.00 42.46 40.31 1dq8 s ILE 778 CO -0.08 0.42 0.18 -0.89 -1.91 0.00 0.00 174.94 172.66 1dq8 s THR 779 N 1.34 5.34 0.02 4.00 2.01 0.45 -1.69 115.64 127.11 1dq8 s THR 779 Ca 0.04 0.20 0.08 0.00 0.31 0.00 0.00 61.69 62.32 1dq8 s THR 779 Cb -0.14 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1dq8 s THR 779 CO -0.08 0.31 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.15 1dq8 s LEU 780 N 1.30 2.13 0.01 4.42 1.43 0.30 -4.89 118.68 123.37 1dq8 s LEU 780 Ca 0.08 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 1dq8 s LEU 780 Cb -0.14 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 1dq8 s LEU 780 CO 0.07 0.25 -0.08 -0.04 0.23 0.00 0.00 176.35 176.78 1dq8 s MET 781 N -0.99 0.58 0.03 1.70 -1.94 -1.26 -0.76 119.30 116.65 1dq8 s MET 781 Ca 0.10 -0.36 -0.15 0.00 -1.71 0.00 0.00 55.69 53.56 1dq8 s MET 781 Cb -0.09 -0.54 0.02 0.00 2.01 0.00 0.00 34.83 36.23 1dq8 s MET 781 CO 0.01 0.14 0.33 -2.00 -0.01 0.00 0.00 175.02 173.49 1dq8 s GLU 782 N -0.45 0.80 0.26 2.03 2.12 0.51 -4.87 118.70 119.11 1dq8 s GLU 782 Ca 0.01 -0.38 -0.30 0.00 0.36 0.00 0.00 54.97 54.66 1dq8 s GLU 782 Cb -0.04 0.35 -0.09 0.00 0.26 0.00 0.00 34.13 34.61 1dq8 s GLU 782 CO -0.00 -0.25 1.01 0.00 -0.54 0.00 0.00 175.26 175.48 1dq8 s ALA 783 N -2.19 3.36 0.23 6.30 0.00 -1.26 -0.54 121.76 127.66 1dq8 s ALA 783 Ca -0.07 0.74 -0.03 0.00 0.00 0.00 0.00 51.96 52.60 1dq8 s ALA 783 Cb -0.02 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1dq8 s ALA 783 CO -0.01 0.05 0.22 0.45 0.00 0.00 0.00 175.76 176.47 1dq8 s SER 784 N -1.06 0.27 0.00 0.00 0.15 0.49 -4.82 113.70 108.73 1dq8 s SER 784 Ca 0.43 -1.34 0.00 0.00 0.70 0.00 0.00 55.95 55.74 1dq8 s SER 784 Cb -0.28 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1dq8 s SER 784 CO 0.36 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.47 1dq8 n GLY 785 N -0.33 0.09 0.28 9.45 0.00 -1.26 -1.25 105.19 112.16 1dq8 n GLY 785 Ca 0.02 -1.83 0.07 0.00 0.00 0.00 0.00 46.02 44.27 1dq8 n GLY 785 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1dq8 h PRO 786 N 0.00 0.23 -0.45 1.61 0.11 -2.01 -2.10 132.00 129.39 1dq8 h PRO 786 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1dq8 h PRO 786 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1dq8 h PRO 786 CO 0.00 0.15 0.00 0.25 -0.21 0.00 0.00 178.00 178.19 1dq8 n THR 787 N -5.20 1.54 -2.47 -1.15 -2.24 -1.26 -4.96 114.28 98.54 1dq8 n THR 787 Ca 0.16 -1.26 -0.21 0.00 -2.27 0.00 0.00 64.05 60.47 1dq8 n THR 787 Cb 0.51 0.22 -0.00 0.00 -2.10 0.00 0.00 70.33 68.95 1dq8 n THR 787 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1dq8 n ASN 788 N 0.55 -5.83 -0.07 3.42 5.15 -0.79 -4.86 115.26 112.83 1dq8 n ASN 788 Ca 0.19 -0.03 0.04 0.00 -0.60 0.00 0.00 54.58 54.18 1dq8 n ASN 788 Cb 0.69 -4.84 -0.04 0.00 -0.53 0.00 0.00 39.78 35.06 1dq8 n ASN 788 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1dq8 n GLU 789 N -3.11 3.36 -2.92 1.20 1.02 -1.03 -4.41 120.64 114.75 1dq8 n GLU 789 Ca -0.23 -0.20 -0.26 0.00 -0.02 0.00 0.00 57.16 56.46 1dq8 n GLU 789 Cb 0.68 -0.98 -0.00 0.00 -0.02 0.00 0.00 31.44 31.11 1dq8 n GLU 789 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1dq8 s ASP 790 N -1.69 6.27 -0.34 1.62 1.01 -0.38 -4.00 116.67 119.17 1dq8 s ASP 790 Ca 0.05 0.74 -0.10 0.00 0.71 0.00 0.00 52.55 53.95 1dq8 s ASP 790 Cb 0.07 -2.16 0.01 0.00 1.01 0.00 0.00 42.92 41.85 1dq8 s ASP 790 CO 0.33 -0.47 0.17 -0.22 0.21 0.00 0.00 175.17 175.19 1dq8 s LEU 791 N -4.58 4.40 -0.17 1.23 2.96 0.46 -0.38 118.68 122.59 1dq8 s LEU 791 Ca 0.45 -0.78 -0.18 0.00 -0.22 0.00 0.00 54.13 53.40 1dq8 s LEU 791 Cb -0.10 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1dq8 s LEU 791 CO 0.41 -0.29 0.50 -0.47 -1.32 0.00 0.00 176.35 175.18 1dq8 s TYR 792 N 1.57 3.42 0.03 5.38 5.04 0.30 0.39 117.35 133.47 1dq8 s TYR 792 Ca 0.03 0.80 0.04 0.00 -2.44 0.00 0.00 57.07 55.50 1dq8 s TYR 792 Cb -0.18 -2.62 -0.02 0.00 0.35 0.00 0.00 41.96 39.49 1dq8 s TYR 792 CO 0.06 -0.01 -0.13 -1.50 -1.34 0.00 0.00 175.55 172.63 1dq8 s ILE 793 N 1.29 1.05 -0.02 3.14 2.07 -0.71 -0.36 121.20 127.66 1dq8 s ILE 793 Ca 0.24 -0.87 -0.05 0.00 -1.41 0.00 0.00 60.65 58.56 1dq8 s ILE 793 Cb -0.15 -0.94 0.00 0.00 0.13 0.00 0.00 42.46 41.51 1dq8 s ILE 793 CO 0.10 0.06 0.11 -0.94 -1.91 0.00 0.00 174.94 172.36 1dq8 s SER 794 N -0.93 -0.01 -0.04 4.50 1.04 0.06 -1.99 113.70 116.33 1dq8 s SER 794 Ca 0.02 -0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.42 1dq8 s SER 794 Cb -0.07 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1dq8 s SER 794 CO 0.01 -0.23 -0.12 0.00 0.98 0.00 0.00 173.24 173.88 1dq8 s THR 796 N 0.22 1.35 -0.33 0.00 2.01 -0.68 -1.13 115.64 117.08 1dq8 s THR 796 Ca -0.05 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.42 1dq8 s THR 796 Cb -0.11 -1.26 0.10 0.00 0.01 0.00 0.00 72.50 71.24 1dq8 s THR 796 CO 0.01 0.41 0.09 -0.04 -0.69 0.00 0.00 174.62 174.41 1dq8 s MET 797 N 1.17 1.01 0.35 4.92 -1.94 0.58 -1.59 119.30 123.80 1dq8 s MET 797 Ca -0.03 -1.41 0.27 0.00 -1.71 0.00 0.00 55.69 52.81 1dq8 s MET 797 Cb -0.14 -2.44 1.04 0.00 2.01 0.00 0.00 34.83 35.30 1dq8 s MET 797 CO -0.04 -0.98 1.79 -1.35 -0.01 0.00 0.00 175.02 174.44 1dq8 h PRO 798 N 7.85 0.00 -1.94 2.03 0.11 -1.78 0.99 132.00 139.27 1dq8 h PRO 798 Ca -0.10 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.54 1dq8 h PRO 798 Cb 1.01 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.73 1dq8 h PRO 798 CO 0.49 0.00 -1.17 -1.13 -0.21 0.00 0.00 178.00 175.98 1dq8 n SER 799 N -2.53 0.70 -4.60 -2.05 3.41 -1.23 -2.49 113.62 104.82 1dq8 n SER 799 Ca 0.02 -3.01 -0.43 0.00 -0.26 0.00 0.00 58.87 55.19 1dq8 n SER 799 Cb 0.29 -0.55 -0.04 0.00 -0.26 0.00 0.00 64.21 63.65 1dq8 n SER 799 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1dq8 s ILE 800 N -2.28 4.59 -0.42 -1.33 1.01 0.01 -3.35 121.20 119.43 1dq8 s ILE 800 Ca 0.39 1.13 -0.17 0.00 0.00 0.00 0.00 60.65 62.00 1dq8 s ILE 800 Cb 0.34 -4.33 0.02 0.00 0.01 0.00 0.00 42.46 38.50 1dq8 s ILE 800 CO -0.08 -0.55 0.42 -1.61 0.00 0.00 0.00 174.94 173.12 1dq8 s GLU 801 N 3.46 3.10 0.12 2.79 2.02 -1.26 0.00 118.70 128.93 1dq8 s GLU 801 Ca 0.37 -0.77 -0.17 0.00 0.02 0.00 0.00 54.97 54.42 1dq8 s GLU 801 Cb -0.12 -3.96 0.04 0.00 0.10 0.00 0.00 34.13 30.19 1dq8 s GLU 801 CO 0.19 -0.83 0.41 -1.50 0.02 0.00 0.00 175.26 173.55 1dq8 s ILE 802 N 2.08 0.07 0.24 -1.63 2.07 -1.26 -4.87 121.20 117.89 1dq8 s ILE 802 Ca 0.11 -0.54 -0.20 0.00 -1.41 0.00 0.00 60.65 58.61 1dq8 s ILE 802 Cb -0.17 -1.14 0.03 0.00 0.13 0.00 0.00 42.46 41.31 1dq8 s ILE 802 CO 0.13 -0.30 0.65 -0.83 -1.91 0.00 0.00 174.94 172.68 1dq8 s GLY 803 N -2.74 -0.19 -0.01 1.50 0.00 -1.26 -3.83 107.32 100.79 1dq8 s GLY 803 Ca 0.02 -0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.63 1dq8 s GLY 803 CO -0.11 -0.09 0.84 -1.30 0.00 0.00 0.00 173.10 172.44 1dq8 n THR 804 N -0.42 0.67 -3.86 0.90 -2.24 0.04 -4.83 114.28 104.55 1dq8 n THR 804 Ca -0.08 -0.70 -0.13 0.00 -2.27 0.00 0.00 64.05 60.87 1dq8 n THR 804 Cb 0.61 0.62 -0.15 0.00 -2.10 0.00 0.00 70.33 69.32 1dq8 n THR 804 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1dq8 s VAL 805 N -0.74 0.01 0.00 2.28 1.01 -1.24 -1.45 120.40 120.27 1dq8 s VAL 805 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1dq8 s VAL 805 Cb 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 36.38 36.34 1dq8 s VAL 805 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1dq8 n GLY 806 N 3.48 -0.37 7.00 4.51 0.00 -1.26 -4.32 105.19 114.23 1dq8 n GLY 806 Ca -0.18 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1dq8 n GLY 806 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dq8 n GLY 807 N -0.30 2.86 0.10 -0.02 0.00 -1.26 -1.71 105.19 104.86 1dq8 n GLY 807 Ca 0.00 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.77 1dq8 n GLY 807 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dq8 n GLY 808 N 0.00 -1.12 0.02 -0.02 0.00 -1.24 -1.63 105.19 101.20 1dq8 n GLY 808 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.15 1dq8 n GLY 808 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1dq8 n THR 809 N -2.02 1.11 1.06 2.61 -1.04 -0.69 -1.82 114.28 113.48 1dq8 n THR 809 Ca 0.02 0.29 0.13 0.00 -2.04 0.00 0.00 64.05 62.44 1dq8 n THR 809 Cb 0.18 -1.09 0.35 0.00 -1.82 0.00 0.00 70.33 67.95 1dq8 n THR 809 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1dq8 n ASN 810 N -1.59 0.47 -4.82 8.00 3.02 -0.65 -4.56 115.26 115.14 1dq8 n ASN 810 Ca 0.03 -0.22 -0.35 0.00 -0.03 0.00 0.00 54.58 54.01 1dq8 n ASN 810 Cb 0.15 0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.35 1dq8 n ASN 810 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1dq8 s LEU 811 N -2.91 4.30 0.17 3.41 1.43 -0.75 -4.98 118.68 119.36 1dq8 s LEU 811 Ca 0.14 1.33 -0.13 0.00 -1.03 0.00 0.00 54.13 54.45 1dq8 s LEU 811 Cb 0.18 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.88 1dq8 s LEU 811 CO 0.63 0.01 1.79 -0.07 0.23 0.00 0.00 176.35 178.95 1dq8 h LEU 812 N 3.29 0.72 -0.29 1.79 3.38 -1.90 -0.79 115.31 121.50 1dq8 h LEU 812 Ca -0.48 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 1dq8 h LEU 812 Cb 1.19 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1dq8 h LEU 812 CO 0.65 0.61 0.14 -0.65 0.09 0.00 0.00 178.44 179.28 1dq8 h PRO 813 N 0.78 0.42 0.00 1.13 0.11 -1.95 -1.26 132.00 131.24 1dq8 h PRO 813 Ca 0.20 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 1dq8 h PRO 813 Cb 0.04 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 1dq8 h PRO 813 CO -0.03 0.41 -0.04 -0.56 -0.21 0.00 0.00 178.00 177.56 1dq8 h GLN 814 N 0.34 0.00 -0.01 1.05 -0.00 -1.76 -2.00 115.11 112.73 1dq8 h GLN 814 Ca 0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.63 1dq8 h GLN 814 Cb 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.59 1dq8 h GLN 814 CO -0.01 0.04 -0.58 1.96 -0.00 0.00 0.00 178.83 180.24 1dq8 h GLN 815 N 0.00 0.02 -0.65 0.06 4.20 -0.57 -2.29 115.11 115.87 1dq8 h GLN 815 Ca -0.00 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1dq8 h GLN 815 Cb 0.55 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 1dq8 h GLN 815 CO 0.01 0.59 0.14 0.00 -0.67 0.00 0.00 178.83 178.90 1dq8 h ALA 816 N 1.40 0.86 -0.13 3.87 0.00 -0.47 0.83 119.26 125.62 1dq8 h ALA 816 Ca -0.01 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1dq8 h ALA 816 Cb 1.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1dq8 h ALA 816 CO 0.08 0.59 -0.49 0.00 0.00 0.00 0.00 179.25 179.43 1dq8 h LEU 818 N 0.28 0.71 -0.98 0.00 3.38 -0.88 -2.97 115.31 114.85 1dq8 h LEU 818 Ca 0.01 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 1dq8 h LEU 818 Cb 0.96 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1dq8 h LEU 818 CO 0.08 0.99 -0.09 1.56 0.09 0.00 0.00 178.44 181.07 1dq8 h GLN 819 N 0.57 0.64 -0.88 1.13 4.20 -0.47 -1.14 115.11 119.16 1dq8 h GLN 819 Ca 0.06 -0.19 0.13 0.00 0.06 0.00 0.00 58.65 58.71 1dq8 h GLN 819 Cb 0.86 -0.07 -0.09 0.00 0.30 0.00 0.00 27.48 28.48 1dq8 h GLN 819 CO 0.07 0.72 0.49 0.52 -0.67 0.00 0.00 178.83 179.97 1dq8 h MET 820 N 0.59 0.71 -0.00 1.46 2.86 -1.16 0.32 114.93 119.71 1dq8 h MET 820 Ca 0.11 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1dq8 h MET 820 Cb 0.51 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1dq8 h MET 820 CO 0.03 0.47 -0.13 1.28 1.06 0.00 0.00 176.91 179.62 1dq8 n LEU 821 N -4.79 0.30 -1.18 1.22 4.77 -0.94 -4.66 117.00 111.72 1dq8 n LEU 821 Ca 0.17 0.16 -0.10 0.00 -0.03 0.00 0.00 56.01 56.22 1dq8 n LEU 821 Cb 0.40 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1dq8 n LEU 821 CO 0.23 0.06 -0.09 0.61 -1.33 0.00 0.00 177.39 176.88 1dq8 n GLY 822 N 1.36 0.02 0.10 -0.72 0.00 0.11 -4.94 105.19 101.13 1dq8 n GLY 822 Ca 0.11 -0.46 0.03 0.00 0.00 0.00 0.00 46.02 45.70 1dq8 n GLY 822 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1dq8 n VAL 823 N -3.96 0.97 -2.32 1.61 3.14 -0.49 -5.00 118.33 112.28 1dq8 n VAL 823 Ca -0.10 -1.10 -0.42 0.00 -2.96 0.00 0.00 64.34 59.77 1dq8 n VAL 823 Cb 0.58 0.33 -0.03 0.00 -1.06 0.00 0.00 33.84 33.66 1dq8 n VAL 823 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1dq8 s GLN 824 N -1.30 4.43 1.89 1.45 -0.44 -1.21 -4.75 119.66 119.73 1dq8 s GLN 824 Ca 0.11 1.92 0.00 0.00 -2.50 0.00 0.00 55.36 54.88 1dq8 s GLN 824 Cb 0.09 -3.26 0.00 0.00 -1.64 0.00 0.00 33.01 28.21 1dq8 s GLN 824 CO 0.01 -0.21 0.00 0.41 0.50 0.00 0.00 175.29 176.00 1dq8 n GLY 825 N 2.64 -1.13 3.79 2.59 0.00 -0.53 -4.89 105.19 107.66 1dq8 n GLY 825 Ca 0.07 -1.21 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 1dq8 n GLY 825 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dq8 s ALA 826 N -1.34 3.16 -0.44 4.61 0.00 -1.26 -4.65 121.76 121.83 1dq8 s ALA 826 Ca 0.00 0.52 -0.19 0.00 0.00 0.00 0.00 51.96 52.29 1dq8 s ALA 826 Cb 0.00 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.96 1dq8 s ALA 826 CO 0.00 0.12 0.54 0.00 0.00 0.00 0.00 175.76 176.42 1dq8 h LYS 828 N 8.83 -0.19 -0.00 0.00 1.57 -2.00 -2.99 116.57 121.78 1dq8 h LYS 828 Ca -0.26 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1dq8 h LYS 828 Cb 1.10 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1dq8 h LYS 828 CO 0.86 -0.13 -0.06 -0.25 -0.57 0.00 0.00 179.45 179.30 1dq8 n ASP 829 N -5.28 0.28 -2.82 0.86 8.00 -1.26 -4.47 116.55 111.86 1dq8 n ASP 829 Ca -0.04 -0.49 -0.05 0.00 0.71 0.00 0.00 54.79 54.91 1dq8 n ASP 829 Cb 0.19 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1dq8 n ASP 829 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1dq8 s ASN 830 N -2.44 -1.26 -0.09 -2.24 3.84 -1.16 -5.13 114.94 106.46 1dq8 s ASN 830 Ca 0.31 -1.80 -0.38 0.00 0.21 0.00 0.00 52.86 51.20 1dq8 s ASN 830 Cb 0.20 1.74 -0.16 0.00 -0.55 0.00 0.00 41.25 42.49 1dq8 s ASN 830 CO 0.46 -0.06 1.58 -2.65 -2.79 0.00 0.00 177.10 173.64 1dq8 n PRO 831 N 2.98 1.31 0.00 0.43 -0.02 -1.14 -1.32 135.00 137.24 1dq8 n PRO 831 Ca 0.19 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1dq8 n PRO 831 Cb 0.55 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1dq8 n PRO 831 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dq8 n GLY 832 N 3.48 1.95 0.23 -1.23 0.00 -1.22 -4.75 105.19 103.66 1dq8 n GLY 832 Ca 0.22 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.26 1dq8 n GLY 832 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1dq8 h GLU 833 N 3.24 0.25 -0.11 1.61 4.57 -1.50 0.99 114.58 123.62 1dq8 h GLU 833 Ca 0.00 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.07 1dq8 h GLU 833 Cb 0.00 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1dq8 h GLU 833 CO 0.00 0.42 -0.11 -0.91 -1.18 0.00 0.00 179.01 177.24 1dq8 h ASN 834 N 0.23 0.29 -0.84 1.04 2.35 -1.88 -0.51 115.58 116.26 1dq8 h ASN 834 Ca 0.04 -0.47 -0.03 0.00 -0.55 0.00 0.00 56.30 55.29 1dq8 h ASN 834 Cb 0.45 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.69 1dq8 h ASN 834 CO 0.03 0.71 0.43 0.00 -1.65 0.00 0.00 177.43 176.94 1dq8 h ALA 835 N 0.59 1.16 -0.53 -0.83 0.00 -1.73 0.19 119.26 118.11 1dq8 h ALA 835 Ca 0.02 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1dq8 h ALA 835 Cb 0.62 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1dq8 h ALA 835 CO 0.03 0.65 -0.04 0.00 0.00 0.00 0.00 179.25 179.89 1dq8 h ARG 836 N 1.20 0.93 -0.43 0.00 3.08 -0.79 -1.27 114.38 117.08 1dq8 h ARG 836 Ca 0.29 -0.29 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1dq8 h ARG 836 Cb 0.08 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1dq8 h ARG 836 CO -0.04 0.94 0.01 0.37 -1.07 0.00 0.00 179.97 180.18 1dq8 h GLN 837 N 0.84 0.76 -0.87 0.04 5.75 -0.25 -1.84 115.11 119.55 1dq8 h GLN 837 Ca 0.15 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.41 1dq8 h GLN 837 Cb 0.56 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.99 1dq8 h GLN 837 CO 0.03 0.83 0.54 1.25 -2.65 0.00 0.00 178.83 178.83 1dq8 h LEU 838 N 0.60 1.03 -1.02 -2.39 5.85 -0.82 -1.17 115.31 117.39 1dq8 h LEU 838 Ca 0.12 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1dq8 h LEU 838 Cb 0.48 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1dq8 h LEU 838 CO 0.02 0.78 0.19 0.00 -0.34 0.00 0.00 178.44 179.08 1dq8 h ALA 839 N 1.30 1.21 -0.74 1.25 0.00 -1.01 0.10 119.26 121.37 1dq8 h ALA 839 Ca 0.31 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1dq8 h ALA 839 Cb -0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1dq8 h ALA 839 CO -0.06 0.56 0.29 0.00 0.00 0.00 0.00 179.25 180.03 1dq8 h ARG 840 N 0.87 1.11 -0.53 0.00 3.08 -0.54 -1.59 114.38 116.78 1dq8 h ARG 840 Ca 0.20 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 1dq8 h ARG 840 Cb 0.25 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1dq8 h ARG 840 CO -0.01 0.92 0.01 0.82 -1.07 0.00 0.00 179.97 180.64 1dq8 h ILE 841 N 1.07 1.26 -0.40 2.04 2.04 -0.72 -0.68 117.51 122.12 1dq8 h ILE 841 Ca 0.25 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1dq8 h ILE 841 Cb 0.22 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1dq8 h ILE 841 CO -0.02 0.38 0.22 0.58 0.00 0.00 0.00 178.15 179.31 1dq8 h VAL 842 N 0.80 1.16 -0.31 1.67 2.07 -0.69 0.10 116.25 121.05 1dq8 h VAL 842 Ca 0.15 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1dq8 h VAL 842 Cb 0.51 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1dq8 h VAL 842 CO 0.02 0.16 0.08 0.00 0.02 0.00 0.00 177.57 177.86 1dq8 h GLY 844 N 0.34 1.08 1.39 0.00 0.00 -0.97 -0.91 103.07 103.99 1dq8 h GLY 844 Ca 0.10 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 1dq8 h GLY 844 CO 0.00 0.49 -0.27 -0.84 0.00 0.00 0.00 176.54 175.93 1dq8 h THR 845 N 0.98 1.28 -0.62 4.70 2.02 -0.57 -0.86 112.91 119.83 1dq8 h THR 845 Ca 0.25 -1.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.04 1dq8 h THR 845 Cb 0.09 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1dq8 h THR 845 CO -0.03 0.45 0.34 0.58 0.37 0.00 0.00 175.52 177.22 1dq8 h VAL 846 N 0.60 1.20 -0.79 3.16 2.07 -0.65 0.61 116.25 122.46 1dq8 h VAL 846 Ca 0.08 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1dq8 h VAL 846 Cb 0.76 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1dq8 h VAL 846 CO 0.06 0.22 0.41 -0.03 0.02 0.00 0.00 177.57 178.25 1dq8 h MET 847 N 0.85 1.12 -0.36 1.57 -1.53 -0.58 0.18 114.93 116.17 1dq8 h MET 847 Ca 0.22 -0.14 -0.03 0.00 -3.44 0.00 0.00 59.70 56.31 1dq8 h MET 847 Cb 0.05 -0.21 -0.02 0.00 -0.55 0.00 0.00 31.60 30.87 1dq8 h MET 847 CO -0.03 0.83 0.13 0.00 0.14 0.00 0.00 176.91 177.98 1dq8 h ALA 848 N 1.34 0.47 -0.85 0.39 0.00 -0.60 -1.82 119.26 118.19 1dq8 h ALA 848 Ca 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1dq8 h ALA 848 Cb 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1dq8 h ALA 848 CO -0.04 0.10 0.48 0.78 0.00 0.00 0.00 179.25 180.57 1dq8 h GLY 849 N 0.44 1.26 1.05 0.00 0.00 0.37 -2.52 103.07 103.68 1dq8 h GLY 849 Ca 0.12 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1dq8 h GLY 849 CO -0.01 0.53 0.23 0.83 0.00 0.00 0.00 176.54 178.12 1dq8 h GLU 850 N 1.18 1.14 0.01 4.80 4.39 -0.53 -2.26 114.58 123.31 1dq8 h GLU 850 Ca 0.30 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.77 1dq8 h GLU 850 Cb 0.00 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 1dq8 h GLU 850 CO -0.05 0.98 -0.12 1.25 -1.16 0.00 0.00 179.01 179.90 1dq8 h LEU 851 N 1.09 -0.36 -0.24 1.33 5.85 -0.92 -1.37 115.31 120.70 1dq8 h LEU 851 Ca 0.24 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 1dq8 h LEU 851 Cb 0.31 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1dq8 h LEU 851 CO -0.01 -0.18 -0.07 -1.28 -0.34 0.00 0.00 178.44 176.57 1dq8 h SER 852 N -0.21 0.48 -0.43 1.25 0.87 -1.36 -0.92 113.55 113.23 1dq8 h SER 852 Ca 0.04 -0.37 -0.05 0.00 -1.23 0.00 0.00 61.79 60.18 1dq8 h SER 852 Cb 0.26 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1dq8 h SER 852 CO -0.12 0.74 0.06 0.25 -0.53 0.00 0.00 176.83 177.24 1dq8 h LEU 853 N 0.21 0.69 -0.93 2.23 5.85 -1.42 -1.51 115.31 120.43 1dq8 h LEU 853 Ca 0.06 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1dq8 h LEU 853 Cb 0.54 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1dq8 h LEU 853 CO 0.03 0.78 0.44 0.24 -0.34 0.00 0.00 178.44 179.58 1dq8 h MET 854 N 0.57 1.20 -0.55 1.25 2.86 -1.19 0.21 114.93 119.29 1dq8 h MET 854 Ca 0.13 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1dq8 h MET 854 Cb 0.39 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1dq8 h MET 854 CO 0.01 0.90 0.27 0.00 1.06 0.00 0.00 176.91 179.15 1dq8 h ALA 855 N 1.28 0.71 -0.59 6.32 0.00 -0.98 0.21 119.26 126.20 1dq8 h ALA 855 Ca 0.30 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1dq8 h ALA 855 Cb 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1dq8 h ALA 855 CO -0.04 0.26 0.16 0.00 0.00 0.00 0.00 179.25 179.63 1dq8 h ALA 856 N 1.10 0.78 -0.57 0.00 0.00 -0.56 -1.18 119.26 118.83 1dq8 h ALA 856 Ca 0.19 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1dq8 h ALA 856 Cb 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1dq8 h ALA 856 CO -0.02 0.47 0.01 -0.07 0.00 0.00 0.00 179.25 179.63 1dq8 h LEU 857 N 0.85 0.95 -1.15 0.00 3.38 -0.26 0.37 115.31 119.45 1dq8 h LEU 857 Ca 0.19 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1dq8 h LEU 857 Cb 0.32 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1dq8 h LEU 857 CO -0.00 1.00 -0.31 0.00 0.09 0.00 0.00 178.44 179.22 1dq8 h ALA 858 N 1.10 1.29 -0.03 1.53 0.00 -0.61 -3.08 119.26 119.46 1dq8 h ALA 858 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1dq8 h ALA 858 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1dq8 h ALA 858 CO 0.03 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.77 1dq8 n ALA 859 N -2.48 2.51 -2.44 0.00 0.00 -0.48 -4.96 120.51 112.67 1dq8 n ALA 859 Ca -0.01 -0.58 -0.08 0.00 0.00 0.00 0.00 53.44 52.77 1dq8 n ALA 859 Cb 0.40 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 18.87 1dq8 n ALA 859 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dq8 n GLY 860 N 1.27 0.20 0.36 0.00 0.00 -0.81 -4.98 105.19 101.22 1dq8 n GLY 860 Ca 0.16 -0.48 0.07 0.00 0.00 0.00 0.00 46.02 45.77 1dq8 n GLY 860 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1dq8 n HIS 861 N -3.77 0.00 0.02 1.61 8.25 0.06 -4.81 115.22 116.58 1dq8 n HIS 861 Ca -0.05 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.27 1dq8 n HIS 861 Cb 0.55 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.58 1dq8 n HIS 861 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1dq8 h LEU 862 N 1.77 -1.44 0.00 2.41 5.85 -1.92 -1.86 115.31 120.12 1dq8 h LEU 862 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1dq8 h LEU 862 Cb 0.50 0.57 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1dq8 h LEU 862 CO 0.00 -0.47 0.00 1.33 -0.34 0.00 0.00 178.44 178.96 1dq8 n VAL 863 N -5.45 0.00 0.00 1.05 0.24 -1.26 -5.11 118.33 107.81 1dq8 n VAL 863 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1dq8 n VAL 863 Cb 0.38 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 1dq8 n VAL 863 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98