#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dq8 s LEU 462 N 0.00 1.48 0.19 -2.13 1.43 -1.26 -5.16 118.68 113.22 1dq8 s LEU 462 Ca 0.00 -1.51 0.01 0.00 -1.03 0.00 0.00 54.13 51.60 1dq8 s LEU 462 Cb 0.00 0.32 -0.04 0.00 0.03 0.00 0.00 46.19 46.50 1dq8 s LEU 462 CO 0.00 -0.88 0.35 -0.94 0.23 0.00 0.00 176.35 175.11 1dq8 s SER 463 N -3.28 6.36 0.29 2.29 1.04 -1.26 -4.99 113.70 114.15 1dq8 s SER 463 Ca 0.38 0.29 0.03 0.00 0.48 0.00 0.00 55.95 57.14 1dq8 s SER 463 Cb 0.06 -1.96 0.63 0.00 0.10 0.00 0.00 66.02 64.84 1dq8 s SER 463 CO 0.17 -0.01 1.81 0.44 0.98 0.00 0.00 173.24 176.62 1dq8 h ASP 464 N 1.98 0.86 -0.48 7.02 5.19 -2.01 -1.71 116.42 127.26 1dq8 h ASP 464 Ca -0.48 0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.01 1dq8 h ASP 464 Cb 1.19 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.58 1dq8 h ASP 464 CO 0.68 0.39 0.31 0.00 -3.12 0.00 0.00 179.24 177.50 1dq8 h ALA 465 N 1.59 0.61 -0.65 3.45 0.00 -1.99 -1.96 119.26 120.30 1dq8 h ALA 465 Ca 0.53 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.38 1dq8 h ALA 465 Cb 0.67 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1dq8 h ALA 465 CO -0.32 0.04 0.26 0.93 0.00 0.00 0.00 179.25 180.16 1dq8 h GLU 466 N 0.63 0.98 -0.79 0.00 5.08 -1.72 -0.68 114.58 118.09 1dq8 h GLU 466 Ca 0.18 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1dq8 h GLU 466 Cb -0.05 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.00 1dq8 h GLU 466 CO -0.05 0.82 0.36 0.82 -1.00 0.00 0.00 179.01 179.96 1dq8 h ILE 467 N 0.92 1.25 -0.28 3.13 2.04 -1.28 0.37 117.51 123.67 1dq8 h ILE 467 Ca 0.22 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1dq8 h ILE 467 Cb 0.21 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1dq8 h ILE 467 CO -0.02 0.31 0.14 0.40 0.00 0.00 0.00 178.15 178.98 1dq8 h ILE 468 N 1.13 1.15 -0.12 -0.67 2.04 -0.89 0.36 117.51 120.50 1dq8 h ILE 468 Ca 0.27 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1dq8 h ILE 468 Cb 0.14 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1dq8 h ILE 468 CO -0.03 0.15 -0.12 -0.61 0.00 0.00 0.00 178.15 177.54 1dq8 h GLN 469 N 0.32 0.18 -0.10 2.37 5.75 -0.65 0.20 115.11 123.18 1dq8 h GLN 469 Ca 0.10 -0.04 -0.16 0.00 -0.15 0.00 0.00 58.65 58.39 1dq8 h GLN 469 Cb 0.11 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1dq8 h GLN 469 CO -0.01 0.31 -0.64 1.25 -2.65 0.00 0.00 178.83 177.09 1dq8 h LEU 470 N 0.18 0.44 0.03 -2.39 5.85 -0.31 -3.16 115.31 115.94 1dq8 h LEU 470 Ca 0.04 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.42 1dq8 h LEU 470 Cb 0.32 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.23 1dq8 h LEU 470 CO 0.02 0.96 -0.30 0.58 -0.34 0.00 0.00 178.44 179.35 1dq8 h VAL 471 N 0.28 1.59 -0.91 1.05 2.07 -0.14 -3.32 116.25 116.87 1dq8 h VAL 471 Ca -0.01 -2.15 0.23 0.00 0.82 0.00 0.00 66.70 65.59 1dq8 h VAL 471 Cb 1.18 2.98 -0.13 0.00 -1.52 0.00 0.00 31.29 33.80 1dq8 h VAL 471 CO 0.11 0.58 0.40 0.78 0.02 0.00 0.00 177.57 179.46 1dq8 h ASN 472 N -0.58 0.34 -2.96 0.57 2.35 -1.06 -3.10 115.58 111.13 1dq8 h ASN 472 Ca -0.05 0.16 -0.59 0.00 -0.55 0.00 0.00 56.30 55.27 1dq8 h ASN 472 Cb 1.13 0.14 -0.11 0.00 0.05 0.00 0.00 38.32 39.53 1dq8 h ASN 472 CO 0.06 -0.01 0.73 0.00 -1.65 0.00 0.00 177.43 176.56 1dq8 s ALA 473 N -5.87 3.05 -0.22 -0.83 0.00 -1.19 -4.85 121.76 111.84 1dq8 s ALA 473 Ca -0.11 -1.28 -0.02 0.00 0.00 0.00 0.00 51.96 50.54 1dq8 s ALA 473 Cb 0.26 -3.91 -0.07 0.00 0.00 0.00 0.00 23.12 19.39 1dq8 s ALA 473 CO 0.78 -2.67 0.65 1.63 0.00 0.00 0.00 175.76 176.15 1dq8 n LYS 474 N 8.04 0.00 0.00 0.00 4.76 -1.17 -4.44 118.16 125.34 1dq8 n LYS 474 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1dq8 n LYS 474 Cb 0.48 -0.40 0.00 0.00 -1.84 0.00 0.00 35.03 33.27 1dq8 n LYS 474 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1dq8 n HIS 475 N 2.02 0.00 0.00 2.13 8.25 -1.24 -4.95 115.22 121.42 1dq8 n HIS 475 Ca 0.15 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.62 1dq8 n HIS 475 Cb 0.12 0.07 0.03 0.00 1.12 0.00 0.00 29.99 31.33 1dq8 n HIS 475 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1dq8 n ILE 476 N -1.86 0.71 -0.72 1.59 2.08 -1.26 -5.04 119.36 114.86 1dq8 n ILE 476 Ca 0.00 -0.85 0.00 0.00 0.56 0.00 0.00 62.75 62.46 1dq8 n ILE 476 Cb 0.10 0.66 0.00 0.00 -0.75 0.00 0.00 39.64 39.65 1dq8 n ILE 476 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1dq8 n PRO 477 N -0.16 -0.08 -0.04 0.38 -0.02 -1.26 -4.07 135.00 129.75 1dq8 n PRO 477 Ca 0.02 0.07 0.01 0.00 -2.02 0.00 0.00 63.50 61.58 1dq8 n PRO 477 Cb 0.22 -0.18 0.02 0.00 -0.02 0.00 0.00 33.50 33.54 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 1.64 0.03 0.39 3.55 0.00 -1.26 -0.06 120.51 124.80 1dq8 n ALA 478 Ca 0.00 0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.66 1dq8 n ALA 478 Cb 0.00 -0.08 0.39 0.00 0.00 0.00 0.00 19.45 19.76 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 -4.15 0.42 0.27 0.00 0.18 -1.26 -2.75 117.16 109.87 1dq8 n TYR 479 Ca 0.02 0.17 0.10 0.00 1.88 0.00 0.00 57.90 60.07 1dq8 n TYR 479 Cb 0.06 -0.77 0.27 0.00 -0.38 0.00 0.00 39.34 38.51 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 -1.89 2.35 -0.09 -3.48 5.02 0.92 -4.66 118.16 116.33 1dq8 n LYS 480 Ca 0.02 -2.08 -0.06 0.00 -2.02 0.00 0.00 58.31 54.17 1dq8 n LYS 480 Cb 0.17 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.71 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 3.64 -0.35 -2.45 -0.35 3.38 -1.68 -2.20 115.31 115.30 1dq8 h LEU 481 Ca 0.00 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1dq8 h LEU 481 Cb 0.82 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1dq8 h LEU 481 CO 0.00 -0.13 -0.02 -0.33 0.09 0.00 0.00 178.44 178.05 1dq8 h GLU 482 N -0.02 0.00 0.00 1.13 3.07 -1.84 0.12 114.58 117.03 1dq8 h GLU 482 Ca 0.16 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.97 1dq8 h GLU 482 Cb 0.27 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1dq8 h GLU 482 CO -0.35 0.02 -0.26 1.15 -1.40 0.00 0.00 179.01 178.17 1dq8 h THR 483 N 0.00 0.99 0.00 1.13 2.02 -1.74 -3.34 112.91 111.97 1dq8 h THR 483 Ca -0.00 -0.95 -0.25 0.00 0.77 0.00 0.00 66.41 65.98 1dq8 h THR 483 Cb 0.15 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.07 1dq8 h THR 483 CO 0.00 0.25 -1.86 0.18 0.37 0.00 0.00 175.52 174.47 1dq8 n LEU 484 N -3.94 1.79 -4.76 2.58 4.32 -0.69 -5.01 117.00 111.29 1dq8 n LEU 484 Ca -0.02 0.09 -0.41 0.00 -0.02 0.00 0.00 56.01 55.66 1dq8 n LEU 484 Cb 0.33 -0.48 -0.02 0.00 -1.62 0.00 0.00 43.42 41.63 1dq8 n LEU 484 CO 0.35 0.48 0.98 -0.63 -1.22 0.00 0.00 177.39 177.35 1dq8 s ILE 485 N -2.29 2.88 0.00 -0.08 1.09 0.34 -4.99 121.20 118.15 1dq8 s ILE 485 Ca -0.21 0.83 0.00 0.00 -1.10 0.00 0.00 60.65 60.17 1dq8 s ILE 485 Cb 0.07 -3.53 0.00 0.00 -1.06 0.00 0.00 42.46 37.94 1dq8 s ILE 485 CO 0.30 0.17 0.72 -1.84 -0.10 0.00 0.00 174.94 174.19 1dq8 n GLU 486 N 1.42 0.00 -2.15 2.79 0.28 -1.26 -4.71 120.64 117.00 1dq8 n GLU 486 Ca 0.02 0.30 -0.42 0.00 -0.16 0.00 0.00 57.16 56.90 1dq8 n GLU 486 Cb 0.42 -1.22 -0.03 0.00 1.43 0.00 0.00 31.44 32.04 1dq8 n GLU 486 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1dq8 s THR 487 N -1.89 3.11 0.16 3.84 2.01 -1.26 -4.93 115.64 116.69 1dq8 s THR 487 Ca 0.00 0.87 -0.13 0.00 0.31 0.00 0.00 61.69 62.74 1dq8 s THR 487 Cb 0.00 -3.56 0.05 0.00 0.01 0.00 0.00 72.50 69.00 1dq8 s THR 487 CO 0.00 0.11 1.71 0.45 -0.69 0.00 0.00 174.62 176.20 1dq8 h HIS 488 N 5.82 0.80 -0.66 4.92 3.86 -1.94 -1.92 115.15 126.03 1dq8 h HIS 488 Ca -0.44 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 58.70 1dq8 h HIS 488 Cb 1.21 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 29.41 1dq8 h HIS 488 CO 0.63 0.66 0.37 1.49 0.86 0.00 0.00 177.93 181.94 1dq8 h GLU 489 N 0.71 0.90 -0.19 2.45 4.81 -1.92 -1.74 114.58 119.60 1dq8 h GLU 489 Ca 0.18 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 1dq8 h GLU 489 Cb 0.20 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1dq8 h GLU 489 CO -0.01 0.66 -0.45 -0.09 -0.73 0.00 0.00 179.01 178.38 1dq8 h ARG 490 N 0.91 0.49 -0.81 1.92 2.43 -1.86 0.12 114.38 117.58 1dq8 h ARG 490 Ca 0.23 -0.26 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1dq8 h ARG 490 Cb 0.01 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 1dq8 h ARG 490 CO -0.04 0.84 0.33 0.78 -1.51 0.00 0.00 179.97 180.37 1dq8 h GLY 491 N 1.12 1.29 1.07 2.80 0.00 -0.70 0.61 103.07 109.26 1dq8 h GLY 491 Ca 0.03 -0.70 -0.12 0.00 0.00 0.00 0.00 47.33 46.53 1dq8 h GLY 491 CO 0.08 0.66 -0.22 -2.08 0.00 0.00 0.00 176.54 174.98 1dq8 h VAL 492 N 1.17 1.27 -0.28 4.60 2.07 -0.99 -1.57 116.25 122.52 1dq8 h VAL 492 Ca 0.27 -1.37 0.03 0.00 0.82 0.00 0.00 66.70 66.44 1dq8 h VAL 492 Cb 0.21 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1dq8 h VAL 492 CO -0.02 0.47 0.11 -1.28 0.02 0.00 0.00 177.57 176.86 1dq8 h SER 493 N 0.74 0.14 -0.45 0.57 0.87 -0.29 -1.54 113.55 113.58 1dq8 h SER 493 Ca 0.10 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 1dq8 h SER 493 Cb 0.79 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.73 1dq8 h SER 493 CO 0.07 0.12 0.17 0.40 -0.53 0.00 0.00 176.83 177.05 1dq8 h ILE 494 N 0.25 1.21 -0.88 2.23 2.04 -0.73 -2.21 117.51 119.42 1dq8 h ILE 494 Ca 0.12 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1dq8 h ILE 494 Cb 0.08 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1dq8 h ILE 494 CO -0.11 0.25 0.54 -0.09 0.00 0.00 0.00 178.15 178.73 1dq8 h ARG 495 N 0.59 1.18 -0.62 2.37 2.43 -1.04 -0.73 114.38 118.56 1dq8 h ARG 495 Ca 0.15 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1dq8 h ARG 495 Cb 0.22 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1dq8 h ARG 495 CO -0.01 0.82 0.28 0.00 -1.51 0.00 0.00 179.97 179.55 1dq8 h ARG 496 N 1.21 0.88 -0.58 0.20 3.08 -1.00 0.60 114.38 118.77 1dq8 h ARG 496 Ca 0.32 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 60.15 1dq8 h ARG 496 Cb -0.07 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 1dq8 h ARG 496 CO -0.06 0.69 -0.04 1.96 -1.07 0.00 0.00 179.97 181.46 1dq8 h GLN 497 N 0.87 1.04 -0.35 0.04 4.20 -0.56 0.28 115.11 120.64 1dq8 h GLN 497 Ca 0.21 -0.35 -0.05 0.00 0.06 0.00 0.00 58.65 58.52 1dq8 h GLN 497 Cb 0.12 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1dq8 h GLN 497 CO -0.03 1.04 0.03 -0.07 -0.67 0.00 0.00 178.83 179.13 1dq8 h LEU 498 N 0.93 0.58 -0.54 1.46 4.07 -0.78 -3.06 115.31 117.97 1dq8 h LEU 498 Ca 0.16 -0.29 0.06 0.00 0.08 0.00 0.00 57.88 57.89 1dq8 h LEU 498 Cb 0.60 -0.15 -0.05 0.00 1.08 0.00 0.00 40.66 42.13 1dq8 h LEU 498 CO 0.04 0.72 0.26 0.25 -1.08 0.00 0.00 178.44 178.63 1dq8 h LEU 499 N 0.41 0.35 -0.78 1.67 5.85 -0.62 -2.95 115.31 119.25 1dq8 h LEU 499 Ca 0.10 0.04 0.18 0.00 0.84 0.00 0.00 57.88 59.04 1dq8 h LEU 499 Cb 0.41 -0.02 -0.14 0.00 0.37 0.00 0.00 40.66 41.28 1dq8 h LEU 499 CO 0.01 0.24 -0.06 0.28 -0.34 0.00 0.00 178.44 178.57 1dq8 h SER 500 N 0.49 -0.49 0.37 1.25 0.02 -0.83 0.19 113.55 114.56 1dq8 h SER 500 Ca 0.25 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1dq8 h SER 500 Cb 0.19 0.40 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1dq8 h SER 500 CO -0.19 -0.22 0.00 0.29 -1.14 0.00 0.00 176.83 175.57 1dq8 n LYS 501 N -5.41 0.09 -0.06 3.45 4.76 -1.11 -2.12 118.16 117.76 1dq8 n LYS 501 Ca 0.14 0.22 0.09 0.00 -2.87 0.00 0.00 58.31 55.89 1dq8 n LYS 501 Cb 0.47 -1.50 0.12 0.00 -1.84 0.00 0.00 35.03 32.28 1dq8 n LYS 501 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1dq8 n LYS 502 N -1.40 1.86 -4.06 1.97 5.02 0.05 -4.97 118.16 116.63 1dq8 n LYS 502 Ca 0.05 -1.79 -0.35 0.00 -2.02 0.00 0.00 58.31 54.19 1dq8 n LYS 502 Cb 0.14 -1.38 -0.07 0.00 -0.02 0.00 0.00 35.03 33.69 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 -1.46 4.08 0.47 -0.35 1.43 -0.90 -4.97 118.68 116.99 1dq8 s LEU 503 Ca 0.26 0.32 0.32 0.00 -1.03 0.00 0.00 54.13 53.99 1dq8 s LEU 503 Cb 0.17 -2.08 1.64 0.00 0.03 0.00 0.00 46.19 45.94 1dq8 s LEU 503 CO 0.24 0.37 1.98 0.77 0.23 0.00 0.00 176.35 179.93 1dq8 h SER 504 N 4.79 0.00 -2.36 2.29 4.64 -1.93 -3.17 113.55 117.80 1dq8 h SER 504 Ca -0.52 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.21 1dq8 h SER 504 Cb 1.21 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.91 1dq8 h SER 504 CO 0.59 0.00 -0.96 1.21 -0.87 0.00 0.00 176.83 176.79 1dq8 n GLU 505 N -2.68 0.41 -0.58 4.77 2.13 -1.26 -5.01 120.64 118.41 1dq8 n GLU 505 Ca -0.01 -3.29 0.46 0.00 0.66 0.00 0.00 57.16 54.98 1dq8 n GLU 505 Cb 0.12 -1.66 0.75 0.00 0.27 0.00 0.00 31.44 30.91 1dq8 n GLU 505 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1dq8 n PRO 506 N 2.55 -0.02 -0.36 5.31 -0.02 -1.20 0.12 135.00 141.37 1dq8 n PRO 506 Ca 0.28 1.18 0.04 0.00 -2.02 0.00 0.00 63.50 62.99 1dq8 n PRO 506 Cb 0.48 -2.50 0.19 0.00 -0.02 0.00 0.00 33.50 31.65 1dq8 n PRO 506 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1dq8 n SER 507 N -4.37 2.92 0.00 2.55 3.41 -1.26 -4.20 113.62 112.66 1dq8 n SER 507 Ca 0.42 -2.30 0.09 0.00 -0.26 0.00 0.00 58.87 56.82 1dq8 n SER 507 Cb 1.78 -0.47 0.41 0.00 -0.26 0.00 0.00 64.21 65.67 1dq8 n SER 507 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1dq8 n SER 508 N 0.43 0.00 -0.10 4.04 3.41 0.12 -2.47 113.62 119.04 1dq8 n SER 508 Ca 0.14 0.41 0.11 0.00 -0.26 0.00 0.00 58.87 59.27 1dq8 n SER 508 Cb 0.58 -0.46 0.12 0.00 -0.26 0.00 0.00 64.21 64.19 1dq8 n SER 508 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1dq8 n LEU 509 N -1.46 0.94 -0.29 1.04 4.77 -1.26 -4.44 117.00 116.30 1dq8 n LEU 509 Ca 0.05 -0.30 0.11 0.00 -0.03 0.00 0.00 56.01 55.84 1dq8 n LEU 509 Cb 0.20 -0.12 0.26 0.00 -2.33 0.00 0.00 43.42 41.43 1dq8 n LEU 509 CO 0.17 0.21 0.96 -0.61 -1.33 0.00 0.00 177.39 176.78 1dq8 h GLN 510 N 0.50 0.26 -0.15 3.23 4.15 -1.80 -0.67 115.11 120.62 1dq8 h GLN 510 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1dq8 h GLN 510 Cb 0.53 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1dq8 h GLN 510 CO 0.00 0.17 0.00 0.66 -1.93 0.00 0.00 178.83 177.73 1dq8 n TYR 511 N -5.17 0.19 -3.22 3.99 4.02 -1.26 -4.74 117.16 110.96 1dq8 n TYR 511 Ca 0.19 -0.10 -0.43 0.00 -0.01 0.00 0.00 57.90 57.56 1dq8 n TYR 511 Cb 0.61 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.85 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 -1.65 4.74 0.70 7.72 0.20 -0.26 -5.05 118.68 125.08 1dq8 s LEU 512 Ca 0.34 -0.57 -0.14 0.00 0.69 0.00 0.00 54.13 54.45 1dq8 s LEU 512 Cb 0.19 -2.53 0.02 0.00 -0.43 0.00 0.00 46.19 43.44 1dq8 s LEU 512 CO 0.28 -0.68 1.11 -2.84 -0.29 0.00 0.00 176.35 173.93 1dq8 s PRO 513 N 2.44 2.55 0.00 0.98 0.02 -1.26 -4.88 135.00 134.85 1dq8 s PRO 513 Ca 0.16 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.55 1dq8 s PRO 513 Cb -0.16 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.44 1dq8 s PRO 513 CO 0.16 -1.44 0.00 2.48 -0.33 0.00 0.00 177.00 177.86 1dq8 n TYR 514 N -2.78 0.00 -2.22 6.54 0.18 -1.26 -1.37 117.16 116.25 1dq8 n TYR 514 Ca 0.10 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.49 1dq8 n TYR 514 Cb 0.52 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.46 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 -0.82 4.08 -1.00 -3.48 0.52 -1.26 -4.13 118.95 112.87 1dq8 s ARG 515 Ca 0.00 1.95 -0.11 0.00 -0.52 0.00 0.00 55.73 57.05 1dq8 s ARG 515 Cb 0.00 -2.75 -0.02 0.00 0.52 0.00 0.00 34.95 32.70 1dq8 s ARG 515 CO 0.00 -0.33 0.78 -0.25 0.02 0.00 0.00 175.30 175.52 1dq8 n ASP 516 N 0.20 -6.10 -3.84 0.23 8.00 -1.26 -5.04 116.55 108.75 1dq8 n ASP 516 Ca 0.04 -0.74 -0.13 0.00 0.71 0.00 0.00 54.79 54.66 1dq8 n ASP 516 Cb 0.45 -3.98 -0.14 0.00 -0.02 0.00 0.00 41.12 37.44 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 -3.29 -0.03 -0.80 1.24 5.04 -1.26 -5.10 117.35 113.16 1dq8 s TYR 517 Ca 0.31 0.11 -0.26 0.00 -2.44 0.00 0.00 57.07 54.80 1dq8 s TYR 517 Cb -0.09 -0.04 0.02 0.00 0.35 0.00 0.00 41.96 42.20 1dq8 s TYR 517 CO 0.82 -0.04 1.45 1.21 -1.34 0.00 0.00 175.55 177.65 1dq8 s ASN 518 N 0.28 6.04 0.17 4.32 3.04 -1.26 -4.82 114.94 122.71 1dq8 s ASN 518 Ca -0.02 -0.58 0.27 0.00 0.04 0.00 0.00 52.86 52.56 1dq8 s ASN 518 Cb -0.03 -2.56 0.86 0.00 -1.54 0.00 0.00 41.25 37.98 1dq8 s ASN 518 CO -0.01 -1.90 1.78 -1.22 -3.04 0.00 0.00 177.10 172.71 1dq8 n TYR 519 N 10.08 0.75 -0.13 0.43 4.02 -1.26 -3.93 117.16 127.11 1dq8 n TYR 519 Ca 0.15 0.22 0.09 0.00 -0.01 0.00 0.00 57.90 58.35 1dq8 n TYR 519 Cb 0.50 -0.85 0.42 0.00 -0.02 0.00 0.00 39.34 39.39 1dq8 n TYR 519 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1dq8 h SER 520 N 0.00 0.52 1.55 7.72 4.64 -1.93 0.13 113.55 126.18 1dq8 h SER 520 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1dq8 h SER 520 Cb 0.70 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1dq8 h SER 520 CO 0.00 0.33 -0.12 -0.07 -0.87 0.00 0.00 176.83 176.10 1dq8 h LEU 521 N 0.59 0.00 0.00 5.97 4.07 -1.98 -3.36 115.31 120.60 1dq8 h LEU 521 Ca 0.30 -0.02 -0.30 0.00 0.08 0.00 0.00 57.88 57.94 1dq8 h LEU 521 Cb 0.39 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.09 1dq8 h LEU 521 CO -0.09 0.01 -1.62 0.52 -1.08 0.00 0.00 178.44 176.18 1dq8 n VAL 522 N -2.52 1.54 -1.70 1.22 0.31 -0.05 -4.48 118.33 112.65 1dq8 n VAL 522 Ca 0.05 -0.14 -0.43 0.00 -0.01 0.00 0.00 64.34 63.80 1dq8 n VAL 522 Cb 0.47 -1.99 -0.03 0.00 -0.91 0.00 0.00 33.84 31.38 1dq8 n VAL 522 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1dq8 n MET 523 N -4.34 2.68 -1.05 5.55 2.81 0.26 -0.80 117.12 122.23 1dq8 n MET 523 Ca -0.38 0.97 -0.02 0.00 -1.81 0.00 0.00 57.70 56.47 1dq8 n MET 523 Cb 0.75 -2.84 -0.01 0.00 -0.71 0.00 0.00 33.22 30.42 1dq8 n MET 523 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1dq8 n GLY 524 N 4.05 0.51 1.16 3.03 0.00 -1.26 -4.79 105.19 107.88 1dq8 n GLY 524 Ca 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 1.03 1.99 0.03 4.61 0.00 -0.50 -5.02 120.51 122.66 1dq8 n ALA 525 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.44 1dq8 n ALA 525 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.57 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 -1.48 1.80 -1.40 0.00 8.01 -1.26 -4.38 118.70 119.99 1dq8 s GLU 528 Ca -0.08 -1.94 -0.03 0.00 0.01 0.00 0.00 54.97 52.93 1dq8 s GLU 528 Cb -0.00 -1.63 0.00 0.00 -4.31 0.00 0.00 34.13 28.19 1dq8 s GLU 528 CO 0.06 0.10 0.37 0.09 0.01 0.00 0.00 175.26 175.89 1dq8 n ASN 529 N -0.79 -0.62 -4.72 -0.19 3.02 -1.26 -4.85 115.26 105.85 1dq8 n ASN 529 Ca -0.05 -1.08 -0.42 0.00 -0.03 0.00 0.00 54.58 53.00 1dq8 n ASN 529 Cb 0.64 -2.70 -0.03 0.00 -0.61 0.00 0.00 39.78 37.08 1dq8 n ASN 529 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1dq8 s VAL 530 N -3.99 3.16 0.00 2.41 1.01 -1.26 -4.92 120.40 116.80 1dq8 s VAL 530 Ca 0.06 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1dq8 s VAL 530 Cb -0.03 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1dq8 s VAL 530 CO 0.91 0.08 0.62 2.30 0.00 0.00 0.00 175.10 179.02 1dq8 n ILE 531 N 3.57 0.35 -0.36 2.22 -5.35 -1.26 -4.69 119.36 113.84 1dq8 n ILE 531 Ca 0.10 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 1dq8 n ILE 531 Cb 0.42 0.93 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 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 -0.17 0.28 3.19 3.28 0.00 -1.26 -4.80 105.19 105.70 1dq8 n GLY 532 Ca 0.00 -1.34 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.78 -0.00 -0.30 1.61 -0.85 -0.47 -4.95 117.35 108.61 1dq8 s TYR 533 Ca 0.00 -0.14 -0.06 0.00 -0.52 0.00 0.00 57.07 56.35 1dq8 s TYR 533 Cb 0.00 0.00 0.02 0.00 0.38 0.00 0.00 41.96 42.36 1dq8 s TYR 533 CO 0.00 -0.41 0.07 1.41 -1.52 0.00 0.00 175.55 175.10 1dq8 s MET 534 N -2.20 2.95 -0.05 -3.49 -2.45 -1.26 -4.16 119.30 108.64 1dq8 s MET 534 Ca -0.08 -0.94 -0.30 0.00 -1.25 0.00 0.00 55.69 53.12 1dq8 s MET 534 Cb -0.03 -3.34 -0.04 0.00 1.25 0.00 0.00 34.83 32.68 1dq8 s MET 534 CO -0.02 -0.49 1.23 -2.14 1.05 0.00 0.00 175.02 174.66 1dq8 s PRO 535 N 1.46 4.34 -0.16 4.11 0.02 -1.26 -5.03 135.00 138.47 1dq8 s PRO 535 Ca 0.01 1.71 0.01 0.00 0.02 0.00 0.00 61.00 62.76 1dq8 s PRO 535 Cb -0.18 -3.56 0.01 0.00 0.02 0.00 0.00 34.50 30.79 1dq8 s PRO 535 CO 0.02 -0.47 -0.18 0.42 -0.33 0.00 0.00 177.00 176.46 1dq8 s ILE 536 N 2.25 2.39 0.36 2.83 -1.09 -1.26 -5.09 121.20 121.59 1dq8 s ILE 536 Ca 0.57 -0.85 -0.28 0.00 -2.23 0.00 0.00 60.65 57.86 1dq8 s ILE 536 Cb -0.26 -2.00 -0.12 0.00 -1.58 0.00 0.00 42.46 38.51 1dq8 s ILE 536 CO 0.22 0.52 1.33 -2.65 -1.23 0.00 0.00 174.94 173.14 1dq8 n PRO 537 N 4.25 2.21 -4.48 2.79 -0.02 -1.26 -4.78 135.00 133.72 1dq8 n PRO 537 Ca -0.20 0.78 -0.33 0.00 -2.02 0.00 0.00 63.50 61.73 1dq8 n PRO 537 Cb 0.51 -2.41 -0.16 0.00 -0.02 0.00 0.00 33.50 31.43 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 -1.11 2.26 0.42 -1.45 1.01 -1.26 -1.28 120.40 118.98 1dq8 s VAL 538 Ca 0.56 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.71 1dq8 s VAL 538 Cb -0.54 -1.93 -0.06 0.00 0.00 0.00 0.00 36.38 33.85 1dq8 s VAL 538 CO 0.62 0.53 0.14 -0.83 0.00 0.00 0.00 175.10 175.57 1dq8 s GLY 539 N 0.95 2.39 -0.05 4.51 0.00 0.15 -4.90 107.32 110.37 1dq8 s GLY 539 Ca -0.03 -2.11 0.04 0.00 0.00 0.00 0.00 44.72 42.62 1dq8 s GLY 539 CO -0.04 -1.96 -0.16 0.54 0.00 0.00 0.00 173.10 171.47 1dq8 s VAL 540 N -2.63 1.40 -0.08 1.40 0.11 -1.26 -0.38 120.40 118.96 1dq8 s VAL 540 Ca 0.39 -0.68 0.04 0.00 -2.93 0.00 0.00 61.98 58.80 1dq8 s VAL 540 Cb 0.05 -1.22 -0.01 0.00 -1.53 0.00 0.00 36.38 33.67 1dq8 s VAL 540 CO 0.21 0.41 -0.21 0.00 -3.33 0.00 0.00 175.10 172.18 1dq8 s ALA 541 N 0.20 2.31 0.00 1.54 0.00 -0.46 -4.92 121.76 120.42 1dq8 s ALA 541 Ca -0.07 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1dq8 s ALA 541 Cb -0.13 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.16 1dq8 s ALA 541 CO 0.03 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.58 1dq8 n GLY 542 N 3.09 0.28 3.80 0.00 0.00 -1.26 -0.75 105.19 110.34 1dq8 n GLY 542 Ca -0.18 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.00 4.45 -0.51 1.61 0.04 -1.26 -4.91 135.00 132.43 1dq8 s PRO 543 Ca 0.00 1.23 -0.19 0.00 0.04 0.00 0.00 61.00 62.08 1dq8 s PRO 543 Cb 0.00 -2.63 0.06 0.00 0.04 0.00 0.00 34.50 31.97 1dq8 s PRO 543 CO 0.00 0.20 0.62 -1.17 0.04 0.00 0.00 177.00 176.69 1dq8 s LEU 544 N -2.38 4.98 -0.77 -3.56 2.96 -0.06 -4.64 118.68 115.21 1dq8 s LEU 544 Ca 0.53 -0.93 -0.26 0.00 -0.22 0.00 0.00 54.13 53.25 1dq8 s LEU 544 Cb -0.16 -2.44 0.04 0.00 0.50 0.00 0.00 46.19 44.13 1dq8 s LEU 544 CO 0.20 -0.89 1.28 0.00 -1.32 0.00 0.00 176.35 175.62 1dq8 s LEU 546 N 5.47 1.50 -1.46 0.00 2.96 -0.37 -0.31 118.68 126.47 1dq8 s LEU 546 Ca 0.35 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1dq8 s LEU 546 Cb -0.08 -0.91 0.03 0.00 0.50 0.00 0.00 46.19 45.73 1dq8 s LEU 546 CO 0.11 -0.03 0.50 0.47 -1.32 0.00 0.00 176.35 176.08 1dq8 n ASP 547 N 4.36 -0.96 -0.30 3.68 8.00 0.11 -1.58 116.55 129.86 1dq8 n ASP 547 Ca -0.18 -1.00 -0.04 0.00 0.71 0.00 0.00 54.79 54.28 1dq8 n ASP 547 Cb 0.51 -3.05 -0.02 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 -4.41 -1.12 -4.54 -1.24 1.02 -1.26 -4.99 120.64 104.10 1dq8 n GLU 548 Ca -0.24 0.50 -0.25 0.00 -0.02 0.00 0.00 57.16 57.15 1dq8 n GLU 548 Cb 0.65 -4.45 -0.11 0.00 -0.02 0.00 0.00 31.44 27.51 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 -1.78 1.81 -0.10 3.49 1.02 -0.61 -5.15 119.74 118.41 1dq8 s LYS 549 Ca 0.00 -1.98 0.02 0.00 0.02 0.00 0.00 55.97 54.03 1dq8 s LYS 549 Cb 0.00 -1.47 0.01 0.00 -0.52 0.00 0.00 37.83 35.85 1dq8 s LYS 549 CO 0.00 0.00 -0.15 -1.21 -0.92 0.00 0.00 175.35 173.08 1dq8 s GLU 550 N -3.71 2.13 0.07 1.68 2.02 -1.26 -1.23 118.70 118.39 1dq8 s GLU 550 Ca 0.34 -0.53 0.09 0.00 0.02 0.00 0.00 54.97 54.88 1dq8 s GLU 550 Cb 0.07 -1.81 -0.03 0.00 0.10 0.00 0.00 34.13 32.45 1dq8 s GLU 550 CO 0.16 -0.05 -0.23 -0.06 0.02 0.00 0.00 175.26 175.10 1dq8 s PHE 551 N 0.95 2.41 -0.38 1.61 0.40 -0.72 -4.90 117.98 117.34 1dq8 s PHE 551 Ca -0.08 -0.35 -0.07 0.00 -0.60 0.00 0.00 56.93 55.84 1dq8 s PHE 551 Cb -0.15 -1.38 0.06 0.00 0.51 0.00 0.00 43.02 42.06 1dq8 s PHE 551 CO -0.01 0.23 0.17 -0.65 0.70 0.00 0.00 175.22 175.66 1dq8 s GLN 552 N -1.54 2.53 -0.36 0.44 -1.52 -1.26 -0.88 119.66 117.07 1dq8 s GLN 552 Ca 0.14 -1.38 -0.23 0.00 -1.95 0.00 0.00 55.36 51.94 1dq8 s GLN 552 Cb -0.10 -3.59 0.01 0.00 -0.22 0.00 0.00 33.01 29.10 1dq8 s GLN 552 CO 0.04 -0.83 0.75 0.08 -0.25 0.00 0.00 175.29 175.08 1dq8 s VAL 553 N 1.37 4.78 0.14 1.09 1.01 0.07 -4.58 120.40 124.28 1dq8 s VAL 553 Ca 0.01 0.84 -0.30 0.00 0.00 0.00 0.00 61.98 62.53 1dq8 s VAL 553 Cb -0.21 -4.17 -0.07 0.00 0.00 0.00 0.00 36.38 31.93 1dq8 s VAL 553 CO 0.01 -0.39 1.01 -2.16 0.00 0.00 0.00 175.10 173.58 1dq8 s PRO 554 N 2.99 4.66 -0.14 2.72 0.04 -1.26 -1.35 135.00 142.66 1dq8 s PRO 554 Ca 0.30 1.55 -0.02 0.00 0.04 0.00 0.00 61.00 62.87 1dq8 s PRO 554 Cb -0.14 -3.34 0.05 0.00 0.04 0.00 0.00 34.50 31.11 1dq8 s PRO 554 CO 0.16 0.17 0.03 -1.64 0.04 0.00 0.00 177.00 175.75 1dq8 s MET 555 N -0.15 0.57 -0.40 4.56 -1.94 0.49 -4.40 119.30 118.04 1dq8 s MET 555 Ca 0.48 -0.16 -0.20 0.00 -1.71 0.00 0.00 55.69 54.10 1dq8 s MET 555 Cb -0.26 -1.59 0.01 0.00 2.01 0.00 0.00 34.83 35.01 1dq8 s MET 555 CO 0.32 -0.50 0.63 0.00 -0.01 0.00 0.00 175.02 175.46 1dq8 s ALA 556 N 1.94 3.40 0.17 3.03 0.00 -0.02 -0.68 121.76 129.61 1dq8 s ALA 556 Ca 0.02 -1.05 -0.17 0.00 0.00 0.00 0.00 51.96 50.75 1dq8 s ALA 556 Cb -0.15 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.78 1dq8 s ALA 556 CO -0.07 -1.55 0.50 -0.08 0.00 0.00 0.00 175.76 174.55 1dq8 s THR 557 N 2.73 0.03 -0.01 0.00 -1.32 -0.41 -4.23 115.64 112.43 1dq8 s THR 557 Ca 0.23 -0.67 0.02 0.00 -1.21 0.00 0.00 61.69 60.06 1dq8 s THR 557 Cb -0.14 -1.43 0.03 0.00 -1.51 0.00 0.00 72.50 69.44 1dq8 s THR 557 CO 0.17 -0.16 0.97 0.35 -2.21 0.00 0.00 174.62 173.74 1dq8 n THR 558 N -0.32 0.98 -3.35 5.08 -2.24 -1.26 -3.99 114.28 109.18 1dq8 n THR 558 Ca -0.12 -1.02 -0.42 0.00 -2.27 0.00 0.00 64.05 60.22 1dq8 n THR 558 Cb 0.63 0.47 -0.09 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.08 3.25 0.49 -0.78 2.12 -1.26 -5.06 118.70 116.38 1dq8 s GLU 559 Ca 0.03 -0.65 -0.24 0.00 0.36 0.00 0.00 54.97 54.47 1dq8 s GLU 559 Cb 0.03 -3.91 -0.07 0.00 0.26 0.00 0.00 34.13 30.44 1dq8 s GLU 559 CO 0.00 -0.74 1.39 0.20 -0.54 0.00 0.00 175.26 175.57 1dq8 s GLY 560 N 1.78 2.90 0.00 -1.50 0.00 -1.26 -2.86 107.32 106.38 1dq8 s GLY 560 Ca 0.12 1.38 0.00 0.00 0.00 0.00 0.00 44.72 46.22 1dq8 s GLY 560 CO 0.13 1.95 0.00 0.00 0.00 0.00 0.00 173.10 175.18 1dq8 h LEU 562 N 0.00 0.20 -0.27 0.00 5.85 -1.96 0.45 115.31 119.59 1dq8 h LEU 562 Ca 0.00 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1dq8 h LEU 562 Cb 0.00 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1dq8 h LEU 562 CO 0.00 0.22 -0.04 0.58 -0.34 0.00 0.00 178.44 178.86 1dq8 h VAL 563 N 0.17 1.27 -0.60 1.05 2.07 -1.91 -0.98 116.25 117.33 1dq8 h VAL 563 Ca 0.06 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.56 1dq8 h VAL 563 Cb 0.06 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1dq8 h VAL 563 CO -0.01 0.32 0.40 0.00 0.02 0.00 0.00 177.57 178.30 1dq8 h ALA 564 N 0.79 0.76 -0.08 1.67 0.00 -1.90 0.13 119.26 120.62 1dq8 h ALA 564 Ca 0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1dq8 h ALA 564 Cb 0.50 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1dq8 h ALA 564 CO 0.02 0.19 0.04 1.03 0.00 0.00 0.00 179.25 180.53 1dq8 h SER 565 N 0.81 0.11 -0.68 0.00 0.87 0.05 -0.77 113.55 113.93 1dq8 h SER 565 Ca 0.22 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1dq8 h SER 565 Cb -0.09 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 1dq8 h SER 565 CO -0.05 0.19 0.35 0.74 -0.53 0.00 0.00 176.83 177.52 1dq8 h THR 566 N 0.02 1.22 -0.89 2.23 2.02 -0.91 -1.07 112.91 115.54 1dq8 h THR 566 Ca 0.03 -0.60 0.03 0.00 0.77 0.00 0.00 66.41 66.64 1dq8 h THR 566 Cb 0.10 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 66.83 1dq8 h THR 566 CO -0.00 0.25 0.58 -1.13 0.37 0.00 0.00 175.52 175.59 1dq8 h ASN 567 N 0.94 0.98 -0.52 4.18 -1.24 -0.55 0.31 115.58 119.67 1dq8 h ASN 567 Ca 0.24 -0.01 -0.09 0.00 0.71 0.00 0.00 56.30 57.15 1dq8 h ASN 567 Cb 0.09 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.89 1dq8 h ASN 567 CO -0.03 0.68 0.00 -0.09 -1.29 0.00 0.00 177.43 176.70 1dq8 h ARG 568 N 1.14 0.96 -0.21 6.67 2.43 -0.52 -0.52 114.38 124.33 1dq8 h ARG 568 Ca 0.35 -0.28 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 1dq8 h ARG 568 Cb -0.04 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1dq8 h ARG 568 CO -0.10 0.94 -0.29 0.78 -1.51 0.00 0.00 179.97 179.79 1dq8 h GLY 569 N 1.00 0.45 0.93 2.80 0.00 -0.38 -1.88 103.07 105.98 1dq8 h GLY 569 Ca 0.16 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1dq8 h GLY 569 CO 0.03 0.35 0.13 0.00 0.00 0.00 0.00 176.54 177.04 1dq8 h ARG 571 N 0.44 0.08 -0.53 0.00 9.65 -0.68 0.69 114.38 124.03 1dq8 h ARG 571 Ca 0.12 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1dq8 h ARG 571 Cb 0.23 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.77 1dq8 h ARG 571 CO -0.01 0.05 0.32 0.00 2.80 0.00 0.00 179.97 183.14 1dq8 h ALA 572 N 1.22 1.56 -0.19 2.80 0.00 -1.25 -1.70 119.26 121.70 1dq8 h ALA 572 Ca 0.12 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1dq8 h ALA 572 Cb 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1dq8 h ALA 572 CO -0.21 0.39 -0.15 0.82 0.00 0.00 0.00 179.25 180.10 1dq8 h ILE 573 N 0.73 1.33 -0.76 0.00 2.04 -0.63 -2.65 117.51 117.58 1dq8 h ILE 573 Ca 0.19 -1.29 0.01 0.00 1.00 0.00 0.00 64.86 64.77 1dq8 h ILE 573 Cb -0.03 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 1dq8 h ILE 573 CO -0.04 0.39 0.50 1.23 0.00 0.00 0.00 178.15 180.23 1dq8 h GLY 574 N 0.10 1.06 2.00 5.37 0.00 -0.49 -0.84 103.07 110.27 1dq8 h GLY 574 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1dq8 h GLY 574 CO 0.04 0.39 0.00 1.04 0.00 0.00 0.00 176.54 178.01 1dq8 n LEU 575 N -4.55 0.64 -1.13 3.11 4.77 -0.68 -2.77 117.00 116.39 1dq8 n LEU 575 Ca 0.07 0.63 0.09 0.00 -0.03 0.00 0.00 56.01 56.78 1dq8 n LEU 575 Cb 0.02 -0.52 0.27 0.00 -2.33 0.00 0.00 43.42 40.86 1dq8 n LEU 575 CO 0.36 -0.45 0.73 0.61 -1.33 0.00 0.00 177.39 177.30 1dq8 n GLY 576 N 0.29 1.86 0.96 -0.72 0.00 -0.42 -4.90 105.19 102.25 1dq8 n GLY 576 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 1.41 0.72 0.00 -0.02 0.00 -1.11 -4.67 105.19 101.52 1dq8 n GLY 577 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.10 -0.34 3.74 -0.02 0.00 -0.58 -5.01 105.19 100.87 1dq8 n GLY 578 Ca 0.00 -1.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.14 3.39 -0.02 4.61 0.00 0.57 -4.57 121.76 123.61 1dq8 s ALA 579 Ca 0.00 -1.41 0.06 0.00 0.00 0.00 0.00 51.96 50.61 1dq8 s ALA 579 Cb 0.00 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 1dq8 s ALA 579 CO 0.00 0.37 -0.19 -1.12 0.00 0.00 0.00 175.76 174.82 1dq8 s SER 580 N -3.40 2.27 0.16 0.00 0.01 -0.45 -0.71 113.70 111.58 1dq8 s SER 580 Ca 0.31 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 57.23 1dq8 s SER 580 Cb -0.08 -0.27 -0.05 0.00 0.21 0.00 0.00 66.02 65.83 1dq8 s SER 580 CO 0.22 0.23 -0.01 -0.94 0.41 0.00 0.00 173.24 173.15 1dq8 s SER 581 N -0.43 1.23 -0.09 2.44 1.04 -1.26 -1.39 113.70 115.24 1dq8 s SER 581 Ca 0.07 -1.14 -0.10 0.00 0.48 0.00 0.00 55.95 55.26 1dq8 s SER 581 Cb -0.08 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.18 1dq8 s SER 581 CO -0.01 -0.54 0.26 -0.13 0.98 0.00 0.00 173.24 173.80 1dq8 s ARG 582 N -3.89 0.35 -0.27 4.02 1.81 -0.48 -5.00 118.95 115.48 1dq8 s ARG 582 Ca 0.22 0.28 -0.17 0.00 -1.72 0.00 0.00 55.73 54.34 1dq8 s ARG 582 Cb 0.06 0.17 -0.03 0.00 -0.45 0.00 0.00 34.95 34.69 1dq8 s ARG 582 CO 0.02 -0.05 0.46 0.08 -0.68 0.00 0.00 175.30 175.13 1dq8 s VAL 583 N -0.07 5.11 -0.07 3.52 1.01 -1.26 -1.83 120.40 126.81 1dq8 s VAL 583 Ca -0.02 0.74 0.14 0.00 0.00 0.00 0.00 61.98 62.84 1dq8 s VAL 583 Cb -0.02 -3.78 -0.19 0.00 0.00 0.00 0.00 36.38 32.38 1dq8 s VAL 583 CO 0.01 0.10 0.74 0.18 0.00 0.00 0.00 175.10 176.13 1dq8 n LEU 584 N 5.47 0.88 -3.48 3.92 4.77 0.95 -4.99 117.00 124.52 1dq8 n LEU 584 Ca -0.06 0.41 -0.13 0.00 -0.03 0.00 0.00 56.01 56.20 1dq8 n LEU 584 Cb 0.50 0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.68 1dq8 n LEU 584 CO 0.39 0.29 0.49 0.00 -1.33 0.00 0.00 177.39 177.23 1dq8 s ALA 585 N -2.73 -1.72 -0.19 -1.18 0.00 -1.17 -4.95 121.76 109.82 1dq8 s ALA 585 Ca -0.04 0.94 -0.04 0.00 0.00 0.00 0.00 51.96 52.82 1dq8 s ALA 585 Cb 0.08 0.38 0.09 0.00 0.00 0.00 0.00 23.12 23.67 1dq8 s ALA 585 CO 0.82 -0.59 0.22 0.34 0.00 0.00 0.00 175.76 176.56 1dq8 s ASP 586 N -2.06 1.25 -0.30 0.00 2.15 -1.25 -1.46 116.67 115.00 1dq8 s ASP 586 Ca -0.02 -0.13 -0.18 0.00 0.43 0.00 0.00 52.55 52.65 1dq8 s ASP 586 Cb -0.01 0.41 0.18 0.00 -0.30 0.00 0.00 42.92 43.21 1dq8 s ASP 586 CO -0.04 -0.32 1.21 -0.83 -0.17 0.00 0.00 175.17 175.03 1dq8 s GLY 587 N 2.33 0.01 0.63 2.66 0.00 -0.06 -4.47 107.32 108.43 1dq8 s GLY 587 Ca 0.06 3.29 -0.15 0.00 0.00 0.00 0.00 44.72 47.92 1dq8 s GLY 587 CO -0.12 3.68 1.06 -0.29 0.00 0.00 0.00 173.10 177.44 1dq8 s MET 588 N 2.59 3.15 0.19 2.90 1.75 -0.60 -0.07 119.30 129.21 1dq8 s MET 588 Ca -0.04 1.18 0.03 0.00 -1.25 0.00 0.00 55.69 55.60 1dq8 s MET 588 Cb -0.06 -2.01 -0.05 0.00 2.84 0.00 0.00 34.83 35.56 1dq8 s MET 588 CO -0.12 -0.95 -0.01 0.95 -0.65 0.00 0.00 175.02 174.25 1dq8 s THR 589 N -2.57 0.84 -0.11 10.11 -4.23 -1.26 -1.48 115.64 116.94 1dq8 s THR 589 Ca 0.63 -2.01 -0.06 0.00 -1.18 0.00 0.00 61.69 59.08 1dq8 s THR 589 Cb -0.16 -2.16 0.05 0.00 1.34 0.00 0.00 72.50 71.56 1dq8 s THR 589 CO 0.41 -0.45 0.26 -0.60 -0.54 0.00 0.00 174.62 173.70 1dq8 s ARG 590 N -3.88 0.22 -0.66 3.99 6.06 -0.95 -4.90 118.95 118.84 1dq8 s ARG 590 Ca 0.25 0.56 0.06 0.00 -2.50 0.00 0.00 55.73 54.09 1dq8 s ARG 590 Cb 0.06 -0.11 0.21 0.00 0.06 0.00 0.00 34.95 35.17 1dq8 s ARG 590 CO 0.05 -0.17 0.62 0.41 -2.50 0.00 0.00 175.30 173.71 1dq8 n GLY 591 N 4.26 4.35 3.70 8.12 0.00 -1.26 -0.89 105.19 123.48 1dq8 n GLY 591 Ca -0.25 -2.63 -0.33 0.00 0.00 0.00 0.00 46.02 42.81 1dq8 n GLY 591 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dq8 s PRO 592 N -1.94 1.66 -0.17 1.61 0.04 -1.13 -0.08 135.00 134.99 1dq8 s PRO 592 Ca 0.33 1.71 -0.04 0.00 0.04 0.00 0.00 61.00 63.04 1dq8 s PRO 592 Cb 0.06 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.80 1dq8 s PRO 592 CO -0.09 -2.19 -0.04 0.54 0.04 0.00 0.00 177.00 175.26 1dq8 s VAL 593 N -2.21 3.76 0.26 -0.36 0.11 -0.62 -2.31 120.40 119.02 1dq8 s VAL 593 Ca 0.72 -0.40 0.11 0.00 -2.93 0.00 0.00 61.98 59.48 1dq8 s VAL 593 Cb -0.27 -2.66 -0.05 0.00 -1.53 0.00 0.00 36.38 31.87 1dq8 s VAL 593 CO 0.51 0.48 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.88 1dq8 s VAL 594 N 0.61 2.25 -0.05 2.04 1.01 0.20 -1.80 120.40 124.65 1dq8 s VAL 594 Ca -0.03 -2.35 -0.02 0.00 0.00 0.00 0.00 61.98 59.58 1dq8 s VAL 594 Cb -0.14 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.03 1dq8 s VAL 594 CO 0.02 -0.45 0.12 -0.60 0.00 0.00 0.00 175.10 174.19 1dq8 s ARG 595 N -3.55 0.07 0.37 2.72 3.52 0.11 -0.49 118.95 121.70 1dq8 s ARG 595 Ca 0.28 0.30 0.08 0.00 -0.13 0.00 0.00 55.73 56.26 1dq8 s ARG 595 Cb -0.03 -0.17 -0.02 0.00 -1.56 0.00 0.00 34.95 33.16 1dq8 s ARG 595 CO 0.13 -0.15 0.32 -0.51 -0.81 0.00 0.00 175.30 174.28 1dq8 s LEU 596 N 1.02 3.49 0.40 -0.88 2.01 -0.45 0.21 118.68 124.48 1dq8 s LEU 596 Ca -0.08 -0.61 0.09 0.00 0.01 0.00 0.00 54.13 53.53 1dq8 s LEU 596 Cb -0.11 -2.13 0.82 0.00 0.01 0.00 0.00 46.19 44.79 1dq8 s LEU 596 CO -0.05 -0.48 1.96 -0.65 1.01 0.00 0.00 176.35 178.15 1dq8 h PRO 597 N 1.17 0.33 -4.07 1.29 0.11 -1.86 -3.45 132.00 125.52 1dq8 h PRO 597 Ca -0.43 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 1dq8 h PRO 597 Cb 1.26 -0.06 -0.15 0.00 0.11 0.00 0.00 31.00 32.16 1dq8 h PRO 597 CO 0.58 0.37 -0.59 1.03 -0.21 0.00 0.00 178.00 179.18 1dq8 s ARG 598 N -4.97 0.64 0.32 1.05 0.52 -1.26 -4.98 118.95 110.28 1dq8 s ARG 598 Ca -0.06 -1.06 0.02 0.00 -0.52 0.00 0.00 55.73 54.11 1dq8 s ARG 598 Cb 0.16 0.24 0.56 0.00 0.52 0.00 0.00 34.95 36.42 1dq8 s ARG 598 CO 0.73 -0.15 1.90 0.00 0.02 0.00 0.00 175.30 177.80 1dq8 h ALA 599 N 3.22 1.37 -0.31 2.13 0.00 -1.87 -0.27 119.26 123.54 1dq8 h ALA 599 Ca -0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1dq8 h ALA 599 Cb 1.16 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1dq8 h ALA 599 CO 0.60 0.46 0.16 0.00 0.00 0.00 0.00 179.25 180.47 1dq8 h ASP 601 N 0.42 0.34 -0.12 0.00 3.32 -1.51 -2.46 116.42 116.40 1dq8 h ASP 601 Ca 0.11 -0.72 -0.04 0.00 0.02 0.00 0.00 57.03 56.40 1dq8 h ASP 601 Cb 0.03 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1dq8 h ASP 601 CO -0.02 1.01 -0.02 0.77 -1.72 0.00 0.00 179.24 179.26 1dq8 h SER 602 N -0.30 0.33 -0.66 6.45 4.64 -0.82 -1.54 113.55 121.66 1dq8 h SER 602 Ca -0.03 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1dq8 h SER 602 Cb 1.04 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 63.01 1dq8 h SER 602 CO 0.07 0.41 0.36 0.00 -0.87 0.00 0.00 176.83 176.80 1dq8 h ALA 603 N 1.63 0.85 -0.55 5.18 0.00 -0.51 -1.42 119.26 124.44 1dq8 h ALA 603 Ca 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1dq8 h ALA 603 Cb 0.27 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1dq8 h ALA 603 CO 0.01 0.37 0.14 1.49 0.00 0.00 0.00 179.25 181.25 1dq8 h GLU 604 N 0.90 0.84 -0.09 0.00 4.81 -0.84 -1.84 114.58 118.36 1dq8 h GLU 604 Ca 0.23 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 1dq8 h GLU 604 Cb 0.05 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1dq8 h GLU 604 CO -0.04 0.76 -0.47 0.28 -0.73 0.00 0.00 179.01 178.81 1dq8 h VAL 605 N 0.81 1.34 -0.18 0.32 2.07 -0.71 -1.75 116.25 118.15 1dq8 h VAL 605 Ca 0.18 -1.67 -0.09 0.00 0.82 0.00 0.00 66.70 65.95 1dq8 h VAL 605 Cb 0.29 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1dq8 h VAL 605 CO -0.00 0.50 -0.22 0.50 0.02 0.00 0.00 177.57 178.36 1dq8 h LYS 606 N 0.19 0.47 -0.52 1.57 3.64 -0.91 -1.28 116.57 119.71 1dq8 h LYS 606 Ca 0.01 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.12 1dq8 h LYS 606 Cb 0.91 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1dq8 h LYS 606 CO 0.07 0.85 0.29 0.00 -2.27 0.00 0.00 179.45 178.39 1dq8 h ALA 607 N 0.61 0.67 -0.15 5.00 0.00 -1.25 -0.97 119.26 123.16 1dq8 h ALA 607 Ca 0.02 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1dq8 h ALA 607 Cb 0.78 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1dq8 h ALA 607 CO 0.05 0.19 0.06 2.35 0.00 0.00 0.00 179.25 181.90 1dq8 h TRP 608 N 0.70 0.11 0.00 0.00 7.01 -1.28 -0.44 115.95 122.05 1dq8 h TRP 608 Ca 0.18 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 1dq8 h TRP 608 Cb 0.05 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.08 1dq8 h TRP 608 CO -0.02 0.06 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.57 1dq8 h LEU 609 N 0.14 0.00 -0.20 0.65 3.38 -1.00 -1.37 115.31 116.90 1dq8 h LEU 609 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1dq8 h LEU 609 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1dq8 h LEU 609 CO -0.06 0.05 -0.10 -0.62 0.09 0.00 0.00 178.44 177.80 1dq8 n GLU 610 N -3.84 0.64 -2.81 1.13 1.02 -0.22 -3.91 120.64 112.65 1dq8 n GLU 610 Ca -0.03 -0.20 -0.31 0.00 -0.02 0.00 0.00 57.16 56.60 1dq8 n GLU 610 Cb 0.15 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.03 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 -2.50 4.70 0.39 2.62 -4.23 -0.52 -4.95 115.64 111.16 1dq8 s THR 611 Ca 0.28 0.83 0.15 0.00 -1.18 0.00 0.00 61.69 61.78 1dq8 s THR 611 Cb 0.20 -3.70 0.15 0.00 1.34 0.00 0.00 72.50 70.49 1dq8 s THR 611 CO 0.48 -0.49 1.91 0.77 -0.54 0.00 0.00 174.62 176.75 1dq8 h SER 612 N 1.40 0.00 -0.00 3.99 4.64 -1.89 -1.33 113.55 120.35 1dq8 h SER 612 Ca -0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1dq8 h SER 612 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1dq8 h SER 612 CO 0.63 0.28 -0.00 -0.33 -0.87 0.00 0.00 176.83 176.54 1dq8 h GLU 613 N 0.00 0.01 -0.65 4.77 3.07 -1.93 -1.44 114.58 118.41 1dq8 h GLU 613 Ca -0.00 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 1dq8 h GLU 613 Cb 0.52 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.39 1dq8 h GLU 613 CO 0.04 0.34 0.31 0.78 -1.40 0.00 0.00 179.01 179.08 1dq8 h GLY 614 N -0.33 1.00 1.04 -3.84 0.00 -1.61 -2.41 103.07 96.93 1dq8 h GLY 614 Ca 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 1dq8 h GLY 614 CO 0.00 0.47 0.34 -2.75 0.00 0.00 0.00 176.54 174.60 1dq8 h PHE 615 N 0.90 1.20 -0.02 5.60 3.57 -1.22 -2.26 116.94 124.71 1dq8 h PHE 615 Ca 0.22 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1dq8 h PHE 615 Cb 0.12 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 1dq8 h PHE 615 CO 0.00 0.90 -0.02 0.00 -2.23 0.00 0.00 178.31 176.96 1dq8 h ALA 616 N 1.18 -0.00 -0.58 2.41 0.00 -0.98 0.20 119.26 121.49 1dq8 h ALA 616 Ca 0.27 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1dq8 h ALA 616 Cb 0.19 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1dq8 h ALA 616 CO -0.03 -0.51 0.09 -0.39 0.00 0.00 0.00 179.25 178.42 1dq8 h VAL 617 N -0.02 1.25 0.00 0.00 -1.51 -1.25 -1.38 116.25 113.33 1dq8 h VAL 617 Ca 0.01 -0.95 -0.12 0.00 -1.23 0.00 0.00 66.70 64.42 1dq8 h VAL 617 Cb 0.04 0.70 -0.02 0.00 -2.13 0.00 0.00 31.29 29.89 1dq8 h VAL 617 CO -0.03 0.35 -0.55 0.16 -1.23 0.00 0.00 177.57 176.27 1dq8 h ILE 618 N 0.88 0.98 -0.45 7.19 -0.00 -1.23 -3.01 117.51 121.88 1dq8 h ILE 618 Ca 0.18 -2.28 -0.14 0.00 -0.00 0.00 0.00 64.86 62.62 1dq8 h ILE 618 Cb 0.39 2.41 -0.01 0.00 -0.00 0.00 0.00 36.82 39.60 1dq8 h ILE 618 CO 0.01 0.54 -0.27 0.50 -0.00 0.00 0.00 178.15 178.92 1dq8 h LYS 619 N 0.00 0.96 -0.26 0.16 3.64 -0.68 -0.52 116.57 119.87 1dq8 h LYS 619 Ca -0.01 -0.44 0.04 0.00 -1.27 0.00 0.00 60.65 58.97 1dq8 h LYS 619 Cb 1.36 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.13 1dq8 h LYS 619 CO 0.07 1.11 0.04 0.93 -2.27 0.00 0.00 179.45 179.34 1dq8 h GLU 620 N 0.82 0.14 -0.44 1.90 5.08 -1.21 0.36 114.58 121.21 1dq8 h GLU 620 Ca 0.09 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1dq8 h GLU 620 Cb 0.86 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1dq8 h GLU 620 CO 0.08 0.09 -0.01 0.00 -1.00 0.00 0.00 179.01 178.17 1dq8 h ALA 621 N 1.20 0.60 0.81 3.43 0.00 -1.40 -1.67 119.26 122.23 1dq8 h ALA 621 Ca 0.12 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1dq8 h ALA 621 Cb 0.13 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1dq8 h ALA 621 CO -0.17 0.40 -0.40 0.35 0.00 0.00 0.00 179.25 179.43 1dq8 h PHE 622 N 0.63 -1.04 -0.01 0.00 3.57 -0.72 -2.97 116.94 116.40 1dq8 h PHE 622 Ca 0.12 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1dq8 h PHE 622 Cb 0.51 0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 1dq8 h PHE 622 CO 0.04 -0.64 0.01 -0.44 -2.23 0.00 0.00 178.31 175.05 1dq8 h ASP 623 N -1.10 0.00 0.25 0.41 5.19 -0.94 -2.64 116.42 117.59 1dq8 h ASP 623 Ca -0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1dq8 h ASP 623 Cb 0.85 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.36 1dq8 h ASP 623 CO 0.17 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 174.75 1dq8 n SER 624 N -3.88 0.00 0.03 6.45 3.41 -0.63 -2.39 113.62 116.61 1dq8 n SER 624 Ca -0.03 0.36 0.12 0.00 -0.26 0.00 0.00 58.87 59.06 1dq8 n SER 624 Cb 0.09 -0.41 0.12 0.00 -0.26 0.00 0.00 64.21 63.76 1dq8 n SER 624 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1dq8 n THR 625 N -1.41 0.20 -3.57 6.66 -2.24 -0.99 -4.96 114.28 107.97 1dq8 n THR 625 Ca 0.03 -0.20 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 1dq8 n THR 625 Cb 0.09 0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.37 1dq8 n THR 625 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1dq8 s SER 626 N -3.83 -0.57 0.37 3.42 0.15 -1.00 -4.99 113.70 107.25 1dq8 s SER 626 Ca 0.06 0.78 0.13 0.00 0.70 0.00 0.00 55.95 57.62 1dq8 s SER 626 Cb 0.15 0.67 0.72 0.00 -1.71 0.00 0.00 66.02 65.85 1dq8 s SER 626 CO 0.75 -0.42 1.82 0.03 1.20 0.00 0.00 173.24 176.61 1dq8 h ARG 627 N 3.36 0.00 -0.00 5.44 3.08 -1.93 -3.14 114.38 121.18 1dq8 h ARG 627 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1dq8 h ARG 627 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1dq8 h ARG 627 CO 0.28 0.38 -0.87 1.19 -1.07 0.00 0.00 179.97 179.88 1dq8 n PHE 628 N -4.05 0.00 -2.92 3.04 3.01 -1.26 -4.85 117.46 110.42 1dq8 n PHE 628 Ca -0.02 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.01 1dq8 n PHE 628 Cb 0.42 -0.05 -0.05 0.00 -0.01 0.00 0.00 39.48 39.78 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 -2.98 3.25 -0.30 4.37 0.00 -1.19 -3.34 121.76 121.57 1dq8 s ALA 629 Ca 0.09 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 50.98 1dq8 s ALA 629 Cb 0.16 -3.57 0.08 0.00 0.00 0.00 0.00 23.12 19.80 1dq8 s ALA 629 CO 0.82 -2.09 -0.01 1.03 0.00 0.00 0.00 175.76 175.51 1dq8 s ARG 630 N 3.51 1.70 -0.03 0.00 1.81 -1.21 -4.29 118.95 120.44 1dq8 s ARG 630 Ca 0.30 -1.54 -0.30 0.00 -1.72 0.00 0.00 55.73 52.47 1dq8 s ARG 630 Cb -0.12 -2.95 -0.07 0.00 -0.45 0.00 0.00 34.95 31.36 1dq8 s ARG 630 CO 0.21 -0.78 1.82 -1.17 -0.68 0.00 0.00 175.30 174.70 1dq8 s LEU 631 N 1.07 4.31 -0.19 2.53 2.96 -1.26 -2.18 118.68 125.91 1dq8 s LEU 631 Ca 0.02 2.38 -0.14 0.00 -0.22 0.00 0.00 54.13 56.17 1dq8 s LEU 631 Cb -0.19 -3.53 -0.20 0.00 0.50 0.00 0.00 46.19 42.76 1dq8 s LEU 631 CO -0.08 -1.05 0.15 0.00 -1.32 0.00 0.00 176.35 174.05 1dq8 n GLN 632 N 7.42 0.64 -3.84 1.98 6.02 0.18 -4.99 117.38 124.79 1dq8 n GLN 632 Ca 0.19 0.40 -0.07 0.00 -0.01 0.00 0.00 57.00 57.51 1dq8 n GLN 632 Cb 0.42 -1.68 -0.02 0.00 1.02 0.00 0.00 30.24 29.98 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 -2.46 1.72 -0.04 -1.09 -2.85 -1.14 -5.05 119.74 108.84 1dq8 s LYS 633 Ca -0.29 -0.94 0.04 0.00 -1.00 0.00 0.00 55.97 53.78 1dq8 s LYS 633 Cb 0.08 0.59 -0.00 0.00 -2.06 0.00 0.00 37.83 36.43 1dq8 s LYS 633 CO 0.64 -0.79 -0.16 -0.51 0.10 0.00 0.00 175.35 174.62 1dq8 s LEU 634 N -2.92 1.91 -0.22 2.77 1.02 -1.26 -1.84 118.68 118.14 1dq8 s LEU 634 Ca 0.11 -0.34 0.01 0.00 0.02 0.00 0.00 54.13 53.93 1dq8 s LEU 634 Cb -0.05 -0.94 0.05 0.00 0.02 0.00 0.00 46.19 45.27 1dq8 s LEU 634 CO 0.06 0.15 -0.09 -2.28 0.02 0.00 0.00 176.35 174.21 1dq8 s HIS 635 N 0.04 2.52 -0.02 0.29 5.65 -0.41 -4.97 115.29 118.40 1dq8 s HIS 635 Ca -0.04 -1.75 0.02 0.00 0.25 0.00 0.00 55.06 53.55 1dq8 s HIS 635 Cb -0.11 -1.66 -0.03 0.00 -1.18 0.00 0.00 32.58 29.60 1dq8 s HIS 635 CO 0.02 -0.77 -0.06 0.95 -0.65 0.00 0.00 174.74 174.23 1dq8 s THR 636 N 1.36 3.74 -0.01 0.89 -4.23 -1.26 0.33 115.64 116.45 1dq8 s THR 636 Ca -0.04 -0.65 0.01 0.00 -1.18 0.00 0.00 61.69 59.82 1dq8 s THR 636 Cb -0.18 -2.60 0.01 0.00 1.34 0.00 0.00 72.50 71.08 1dq8 s THR 636 CO -0.07 0.46 -0.01 -0.55 -0.54 0.00 0.00 174.62 173.91 1dq8 s SER 637 N -1.24 0.32 -0.01 3.99 0.15 -0.09 -5.00 113.70 111.82 1dq8 s SER 637 Ca 0.16 -0.03 -0.03 0.00 0.70 0.00 0.00 55.95 56.75 1dq8 s SER 637 Cb -0.11 -0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.05 1dq8 s SER 637 CO 0.06 -0.04 0.18 -0.63 1.20 0.00 0.00 173.24 174.01 1dq8 s ILE 638 N 0.47 5.40 -0.41 6.45 -1.09 -1.26 -0.38 121.20 130.37 1dq8 s ILE 638 Ca -0.04 -0.16 0.04 0.00 -2.23 0.00 0.00 60.65 58.26 1dq8 s ILE 638 Cb -0.07 -3.52 0.17 0.00 -1.58 0.00 0.00 42.46 37.46 1dq8 s ILE 638 CO -0.01 0.34 0.38 0.00 -1.23 0.00 0.00 174.94 174.42 1dq8 s ALA 639 N -1.31 0.70 0.00 9.38 0.00 -0.56 -4.99 121.76 124.98 1dq8 s ALA 639 Ca 0.27 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 50.25 1dq8 s ALA 639 Cb -0.13 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.21 1dq8 s ALA 639 CO 0.18 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.31 1dq8 n GLY 640 N 3.13 3.05 0.06 0.00 0.00 -1.26 -1.46 105.19 108.70 1dq8 n GLY 640 Ca 0.24 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 46.23 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 13.43 0.74 -3.18 1.61 1.85 -1.26 -4.35 116.66 125.50 1dq8 n ARG 641 Ca 0.00 -0.12 -0.36 0.00 -1.00 0.00 0.00 57.85 56.37 1dq8 n ARG 641 Cb 0.00 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.85 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 -2.34 7.01 -0.10 2.89 -0.87 -0.54 -1.34 114.94 119.65 1dq8 s ASN 642 Ca 0.35 1.33 -0.01 0.00 -1.57 0.00 0.00 52.86 52.96 1dq8 s ASN 642 Cb 0.21 -2.38 0.03 0.00 -0.02 0.00 0.00 41.25 39.08 1dq8 s ASN 642 CO 0.43 0.08 -0.05 -0.22 -2.57 0.00 0.00 177.10 174.77 1dq8 s LEU 643 N -1.87 1.00 -0.24 0.60 2.96 0.36 -1.50 118.68 119.99 1dq8 s LEU 643 Ca 0.40 -0.23 -0.12 0.00 -0.22 0.00 0.00 54.13 53.96 1dq8 s LEU 643 Cb -0.17 -0.71 -0.05 0.00 0.50 0.00 0.00 46.19 45.77 1dq8 s LEU 643 CO 0.21 -0.14 0.21 -0.31 -1.32 0.00 0.00 176.35 175.00 1dq8 s TYR 644 N 1.77 3.32 -0.24 5.38 1.51 0.49 -0.63 117.35 128.94 1dq8 s TYR 644 Ca 0.05 0.30 0.01 0.00 -1.01 0.00 0.00 57.07 56.41 1dq8 s TYR 644 Cb -0.12 -2.34 0.04 0.00 -0.11 0.00 0.00 41.96 39.43 1dq8 s TYR 644 CO -0.07 0.03 -0.10 0.42 -1.11 0.00 0.00 175.55 174.71 1dq8 s ILE 645 N 1.19 2.45 -0.52 2.71 1.01 -0.98 -0.91 121.20 126.16 1dq8 s ILE 645 Ca 0.10 -1.27 -0.20 0.00 0.00 0.00 0.00 60.65 59.28 1dq8 s ILE 645 Cb -0.14 -2.29 0.06 0.00 0.01 0.00 0.00 42.46 40.10 1dq8 s ILE 645 CO 0.06 0.16 0.68 -0.60 0.00 0.00 0.00 174.94 175.24 1dq8 s ARG 646 N 1.23 3.15 -0.08 2.79 3.52 0.15 -3.19 118.95 126.52 1dq8 s ARG 646 Ca -0.03 -0.80 -0.24 0.00 -0.13 0.00 0.00 55.73 54.53 1dq8 s ARG 646 Cb -0.17 -4.10 -0.03 0.00 -1.56 0.00 0.00 34.95 29.09 1dq8 s ARG 646 CO -0.06 -1.28 0.74 -0.06 -0.81 0.00 0.00 175.30 173.83 1dq8 s PHE 647 N 2.86 3.55 -0.10 5.12 0.40 -0.06 -1.28 117.98 128.46 1dq8 s PHE 647 Ca 0.18 1.28 0.02 0.00 -0.60 0.00 0.00 56.93 57.81 1dq8 s PHE 647 Cb -0.18 -2.87 0.01 0.00 0.51 0.00 0.00 43.02 40.49 1dq8 s PHE 647 CO 0.13 0.01 -0.17 -1.14 0.70 0.00 0.00 175.22 174.75 1dq8 s GLN 648 N 1.09 2.37 0.03 0.44 0.74 -0.76 -2.23 119.66 121.34 1dq8 s GLN 648 Ca 0.39 -0.63 -0.16 0.00 0.05 0.00 0.00 55.36 55.00 1dq8 s GLN 648 Cb -0.18 -1.92 0.03 0.00 1.10 0.00 0.00 33.01 32.04 1dq8 s GLN 648 CO 0.18 0.02 0.36 0.45 -0.55 0.00 0.00 175.29 175.75 1dq8 s SER 649 N 0.74 -0.22 0.90 6.67 0.15 -0.55 -0.65 113.70 120.74 1dq8 s SER 649 Ca -0.11 -0.03 -0.12 0.00 0.70 0.00 0.00 55.95 56.39 1dq8 s SER 649 Cb -0.16 0.38 0.13 0.00 -1.71 0.00 0.00 66.02 64.67 1dq8 s SER 649 CO 0.02 -0.61 1.09 -0.13 1.20 0.00 0.00 173.24 174.82 1dq8 s ARG 650 N -2.27 1.20 -0.34 5.44 1.81 -0.93 -1.56 118.95 122.31 1dq8 s ARG 650 Ca -0.07 0.79 0.13 0.00 -1.72 0.00 0.00 55.73 54.86 1dq8 s ARG 650 Cb -0.02 -1.80 0.41 0.00 -0.45 0.00 0.00 34.95 33.09 1dq8 s ARG 650 CO -0.01 -2.27 1.54 -1.13 -0.68 0.00 0.00 175.30 172.75 1dq8 n SER 651 N -3.90 -1.47 0.00 0.23 3.41 -1.21 -3.32 113.62 107.35 1dq8 n SER 651 Ca 0.07 -2.22 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 1dq8 n SER 651 Cb 0.55 0.69 0.00 0.00 -0.26 0.00 0.00 64.21 65.20 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 -1.53 2.78 0.77 5.00 0.00 -1.24 -1.77 105.19 109.19 1dq8 n GLY 652 Ca -0.18 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 1.63 2.38 -4.82 1.61 8.00 -1.26 -3.63 116.55 120.46 1dq8 n ASP 653 Ca 0.00 -1.79 -0.33 0.00 0.71 0.00 0.00 54.79 53.38 1dq8 n ASP 653 Cb 0.00 -0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.01 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 -1.96 3.05 0.41 2.24 0.00 -0.73 -0.42 121.76 124.36 1dq8 s ALA 654 Ca 0.33 0.39 0.08 0.00 0.00 0.00 0.00 51.96 52.75 1dq8 s ALA 654 Cb 0.20 -3.13 0.88 0.00 0.00 0.00 0.00 23.12 21.07 1dq8 s ALA 654 CO 0.31 0.14 2.06 1.98 0.00 0.00 0.00 175.76 180.25 1dq8 h MET 655 N 1.94 0.50 0.00 0.00 4.05 -1.79 -3.44 114.93 116.19 1dq8 h MET 655 Ca -0.49 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 58.90 1dq8 h MET 655 Cb 1.18 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.87 1dq8 h MET 655 CO 0.61 0.34 0.00 0.41 0.23 0.00 0.00 176.91 178.50 1dq8 n GLY 656 N -1.45 1.02 0.21 1.39 0.00 -1.26 -4.73 105.19 100.35 1dq8 n GLY 656 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1dq8 n GLY 656 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1dq8 h MET 657 N 3.58 0.02 0.34 1.61 4.05 -1.93 0.54 114.93 123.13 1dq8 h MET 657 Ca 0.00 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1dq8 h MET 657 Cb 0.00 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1dq8 h MET 657 CO 0.00 0.01 -0.16 -0.91 0.23 0.00 0.00 176.91 176.08 1dq8 h ASN 658 N 0.02 -0.39 -0.74 1.39 2.35 -1.99 -0.24 115.58 115.98 1dq8 h ASN 658 Ca 0.25 -0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.98 1dq8 h ASN 658 Cb 0.39 0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.81 1dq8 h ASN 658 CO -0.52 -0.17 0.45 -0.03 -1.65 0.00 0.00 177.43 175.52 1dq8 h MET 659 N -0.59 0.82 -0.60 0.81 4.05 -1.87 -2.15 114.93 115.41 1dq8 h MET 659 Ca -0.05 -0.05 -0.09 0.00 -0.28 0.00 0.00 59.70 59.24 1dq8 h MET 659 Cb 0.43 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.03 1dq8 h MET 659 CO 0.08 0.54 0.03 0.82 0.23 0.00 0.00 176.91 178.61 1dq8 h ILE 660 N 0.85 1.26 -0.73 1.77 1.08 0.23 -2.31 117.51 119.66 1dq8 h ILE 660 Ca 0.32 -1.10 0.02 0.00 -0.39 0.00 0.00 64.86 63.70 1dq8 h ILE 660 Cb 0.11 0.80 -0.04 0.00 -3.07 0.00 0.00 36.82 34.62 1dq8 h ILE 660 CO -0.15 0.40 0.48 0.28 -0.69 0.00 0.00 178.15 178.47 1dq8 h SER 661 N 0.93 0.81 -0.45 1.72 0.02 -0.54 -0.71 113.55 115.34 1dq8 h SER 661 Ca 0.17 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1dq8 h SER 661 Cb 0.51 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1dq8 h SER 661 CO 0.02 0.58 0.19 0.11 -1.14 0.00 0.00 176.83 176.59 1dq8 h LYS 662 N 0.96 0.66 -0.66 3.45 1.57 -1.30 -0.16 116.57 121.09 1dq8 h LYS 662 Ca 0.28 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1dq8 h LYS 662 Cb -0.07 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1dq8 h LYS 662 CO -0.08 0.59 0.35 0.78 -0.57 0.00 0.00 179.45 180.53 1dq8 h GLY 663 N 0.58 0.99 1.03 3.86 0.00 -1.08 -1.83 103.07 106.62 1dq8 h GLY 663 Ca 0.15 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 1dq8 h GLY 663 CO -0.01 0.44 0.28 -0.84 0.00 0.00 0.00 176.54 176.40 1dq8 h THR 664 N 0.90 1.25 -0.22 4.70 2.02 -0.88 0.39 112.91 121.07 1dq8 h THR 664 Ca 0.23 -0.80 0.02 0.00 0.77 0.00 0.00 66.41 66.63 1dq8 h THR 664 Cb 0.05 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1dq8 h THR 664 CO -0.04 0.32 0.09 -0.08 0.37 0.00 0.00 175.52 176.19 1dq8 h GLU 665 N 1.04 0.20 -0.47 6.66 4.81 -0.56 0.12 114.58 126.37 1dq8 h GLU 665 Ca 0.24 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.33 1dq8 h GLU 665 Cb 0.22 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1dq8 h GLU 665 CO -0.02 0.13 -0.21 -0.22 -0.73 0.00 0.00 179.01 177.96 1dq8 h LYS 666 N 0.21 0.97 -0.52 1.92 1.63 -1.15 -2.17 116.57 117.46 1dq8 h LYS 666 Ca 0.09 -0.41 -0.08 0.00 -0.85 0.00 0.00 60.65 59.41 1dq8 h LYS 666 Cb 0.04 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1dq8 h LYS 666 CO -0.08 1.08 0.00 0.00 -3.45 0.00 0.00 179.45 177.00 1dq8 h ALA 667 N 0.91 1.03 -0.41 5.00 0.00 -0.63 -2.26 119.26 122.89 1dq8 h ALA 667 Ca 0.11 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 1dq8 h ALA 667 Cb 0.78 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1dq8 h ALA 667 CO 0.06 0.60 -0.25 -0.07 0.00 0.00 0.00 179.25 179.60 1dq8 h LEU 668 N 0.81 0.88 -1.20 0.00 3.38 -0.57 -1.07 115.31 117.54 1dq8 h LEU 668 Ca 0.15 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1dq8 h LEU 668 Cb 0.48 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1dq8 h LEU 668 CO 0.02 1.09 -0.19 0.77 0.09 0.00 0.00 178.44 180.22 1dq8 h SER 669 N 0.74 0.31 -0.23 -0.43 4.64 -1.22 -0.21 113.55 117.15 1dq8 h SER 669 Ca 0.09 -0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 1dq8 h SER 669 Cb 0.79 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 1dq8 h SER 669 CO 0.07 0.52 -0.13 0.50 -0.87 0.00 0.00 176.83 176.92 1dq8 h LYS 670 N 0.29 0.50 -0.77 4.77 1.63 -1.16 -2.68 116.57 119.14 1dq8 h LYS 670 Ca 0.05 -0.22 0.01 0.00 -0.85 0.00 0.00 60.65 59.63 1dq8 h LYS 670 Cb 0.51 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.09 1dq8 h LYS 670 CO 0.03 0.78 0.50 1.25 -3.45 0.00 0.00 179.45 178.56 1dq8 h LEU 671 N 0.21 0.90 -2.45 5.20 5.85 -0.59 -0.72 115.31 123.71 1dq8 h LEU 671 Ca 0.05 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1dq8 h LEU 671 Cb 0.63 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1dq8 h LEU 671 CO 0.04 0.66 0.00 -0.74 -0.34 0.00 0.00 178.44 178.06 1dq8 h HIS 672 N 1.05 0.00 -0.14 1.25 2.76 -0.73 -0.82 115.15 118.52 1dq8 h HIS 672 Ca 0.28 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.33 1dq8 h HIS 672 Cb -0.11 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 1dq8 h HIS 672 CO 0.00 0.00 -0.44 0.93 -1.30 0.00 0.00 177.93 177.12 1dq8 h GLU 673 N 0.00 0.34 0.00 5.26 5.08 -0.88 -2.57 114.58 121.82 1dq8 h GLU 673 Ca 0.00 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.04 1dq8 h GLU 673 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1dq8 h GLU 673 CO -0.00 0.72 -1.03 1.88 -1.00 0.00 0.00 179.01 179.58 1dq8 h TYR 674 N 0.28 0.00 -2.57 4.33 -1.99 -1.21 -3.41 116.97 112.41 1dq8 h TYR 674 Ca 0.02 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.16 1dq8 h TYR 674 Cb 0.90 0.00 -0.39 0.00 2.00 0.00 0.00 36.73 39.24 1dq8 h TYR 674 CO 0.02 0.54 -0.87 -0.06 -0.00 0.00 0.00 178.16 177.79 1dq8 s PHE 675 N -2.95 1.34 0.58 4.88 0.40 -0.59 -4.99 117.98 116.65 1dq8 s PHE 675 Ca -0.00 -2.25 0.27 0.00 -0.60 0.00 0.00 56.93 54.35 1dq8 s PHE 675 Cb 0.08 -1.21 1.66 0.00 0.51 0.00 0.00 43.02 44.07 1dq8 s PHE 675 CO 0.79 -0.80 2.17 -1.35 0.70 0.00 0.00 175.22 176.74 1dq8 h PRO 676 N 6.11 0.00 0.00 0.24 0.11 -1.70 -1.67 132.00 135.09 1dq8 h PRO 676 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1dq8 h PRO 676 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1dq8 h PRO 676 CO 0.39 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.57 1dq8 n GLU 677 N -3.96 0.21 -2.10 1.05 -0.58 -1.26 -4.84 120.64 109.15 1dq8 n GLU 677 Ca -0.01 0.24 -0.42 0.00 -0.42 0.00 0.00 57.16 56.55 1dq8 n GLU 677 Cb 0.19 -1.78 -0.03 0.00 -0.57 0.00 0.00 31.44 29.25 1dq8 n GLU 677 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1dq8 s MET 678 N -3.14 4.29 -0.20 3.49 1.75 -0.63 -4.55 119.30 120.31 1dq8 s MET 678 Ca 0.09 2.15 -0.07 0.00 -1.25 0.00 0.00 55.69 56.62 1dq8 s MET 678 Cb 0.12 -3.25 -0.03 0.00 2.84 0.00 0.00 34.83 34.51 1dq8 s MET 678 CO 0.53 -0.50 0.05 -1.14 -0.65 0.00 0.00 175.02 173.31 1dq8 s GLN 679 N 1.23 3.81 -0.63 4.11 0.74 0.13 -4.94 119.66 124.11 1dq8 s GLN 679 Ca 0.66 -0.42 -0.24 0.00 0.05 0.00 0.00 55.36 55.41 1dq8 s GLN 679 Cb -0.39 -3.22 0.05 0.00 1.10 0.00 0.00 33.01 30.56 1dq8 s GLN 679 CO 0.30 0.09 1.04 0.42 -0.55 0.00 0.00 175.29 176.59 1dq8 s ILE 680 N 0.86 4.20 0.03 -2.34 1.01 -1.26 0.08 121.20 123.78 1dq8 s ILE 680 Ca 0.03 0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.60 1dq8 s ILE 680 Cb -0.14 -4.68 -0.22 0.00 0.01 0.00 0.00 42.46 37.42 1dq8 s ILE 680 CO 0.02 -1.41 1.14 0.25 0.00 0.00 0.00 174.94 174.94 1dq8 h LEU 681 N 11.60 0.64 -7.00 2.97 5.85 -1.69 -3.47 115.31 124.21 1dq8 h LEU 681 Ca -0.27 -0.74 0.00 0.00 0.84 0.00 0.00 57.88 57.71 1dq8 h LEU 681 Cb 1.07 -0.20 -0.22 0.00 0.37 0.00 0.00 40.66 41.68 1dq8 h LEU 681 CO 1.17 1.29 0.14 0.00 -0.34 0.00 0.00 178.44 180.70 1dq8 s ALA 682 N -3.31 -1.87 0.39 1.25 0.00 -1.04 -5.01 121.76 112.16 1dq8 s ALA 682 Ca -0.12 2.19 0.39 0.00 0.00 0.00 0.00 51.96 54.41 1dq8 s ALA 682 Cb 0.05 -1.34 1.95 0.00 0.00 0.00 0.00 23.12 23.78 1dq8 s ALA 682 CO 0.85 -0.35 2.18 -0.24 0.00 0.00 0.00 175.76 178.20 1dq8 h VAL 683 N 4.43 0.00 -3.52 0.00 3.04 -1.91 -1.66 116.25 116.64 1dq8 h VAL 683 Ca -0.29 -0.19 -0.59 0.00 -1.01 0.00 0.00 66.70 64.62 1dq8 h VAL 683 Cb 1.19 1.15 -0.38 0.00 -2.01 0.00 0.00 31.29 31.24 1dq8 h VAL 683 CO 0.11 0.00 -0.79 -0.55 -1.01 0.00 0.00 177.57 175.33 1dq8 s SER 684 N -5.25 3.51 -0.31 3.17 0.15 -1.26 -2.81 113.70 110.90 1dq8 s SER 684 Ca -0.02 -1.01 0.10 0.00 0.70 0.00 0.00 55.95 55.72 1dq8 s SER 684 Cb 0.11 -1.08 0.68 0.00 -1.71 0.00 0.00 66.02 64.02 1dq8 s SER 684 CO 0.44 -0.22 1.73 0.61 1.20 0.00 0.00 173.24 177.00 1dq8 n GLY 685 N 4.75 3.97 2.38 9.45 0.00 0.88 -4.66 105.19 121.95 1dq8 n GLY 685 Ca -0.12 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.44 -4.57 -1.05 1.61 4.13 -1.25 -4.80 115.26 108.89 1dq8 n ASN 686 Ca 0.39 0.31 0.10 0.00 1.68 0.00 0.00 54.58 57.06 1dq8 n ASN 686 Cb 1.31 -3.27 0.23 0.00 -1.54 0.00 0.00 39.78 36.51 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 -2.71 0.64 0.36 3.10 9.36 -1.19 -4.64 117.16 122.08 1dq8 n TYR 687 Ca -0.13 -0.39 -0.14 0.00 3.32 0.00 0.00 57.90 60.55 1dq8 n TYR 687 Cb 0.45 -0.01 -0.07 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 -4.81 4.27 -0.22 0.00 2.01 -1.26 -4.71 115.64 110.91 1dq8 s THR 689 Ca -0.14 -0.25 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 1dq8 s THR 689 Cb 0.01 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 1dq8 s THR 689 CO 0.41 0.58 0.09 -0.62 -0.69 0.00 0.00 174.62 174.39 1dq8 s ASP 690 N -0.59 5.56 -2.14 3.53 2.15 -1.26 -4.64 116.67 119.29 1dq8 s ASP 690 Ca 0.10 -0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.05 1dq8 s ASP 690 Cb -0.12 -1.98 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 1dq8 s ASP 690 CO 0.02 0.06 0.00 0.29 -0.17 0.00 0.00 175.17 175.37 1dq8 n LYS 691 N 4.30 -1.47 -4.21 4.34 5.02 -1.26 -4.97 118.16 119.91 1dq8 n LYS 691 Ca -0.16 1.21 -0.16 0.00 -2.02 0.00 0.00 58.31 57.18 1dq8 n LYS 691 Cb 0.52 -5.60 -0.13 0.00 -0.02 0.00 0.00 35.03 29.80 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 -3.70 0.64 0.32 1.97 3.01 -1.26 -4.93 119.74 115.78 1dq8 s LYS 692 Ca 0.00 -0.55 -0.29 0.00 -1.01 0.00 0.00 55.97 54.12 1dq8 s LYS 692 Cb 0.00 -0.56 -0.10 0.00 -1.01 0.00 0.00 37.83 36.16 1dq8 s LYS 692 CO 0.00 0.14 1.32 -1.25 0.51 0.00 0.00 175.35 176.07 1dq8 s PRO 693 N -0.89 4.35 -0.25 -1.68 0.04 -1.26 -4.75 135.00 130.55 1dq8 s PRO 693 Ca -0.02 2.22 -0.18 0.00 0.04 0.00 0.00 61.00 63.06 1dq8 s PRO 693 Cb -0.06 -3.08 0.07 0.00 0.04 0.00 0.00 34.50 31.47 1dq8 s PRO 693 CO 0.00 -0.22 0.64 0.00 0.04 0.00 0.00 177.00 177.47 1dq8 s ALA 694 N -0.99 -1.67 0.39 8.56 0.00 -1.26 -5.02 121.76 121.77 1dq8 s ALA 694 Ca 0.50 2.07 0.29 0.00 0.00 0.00 0.00 51.96 54.82 1dq8 s ALA 694 Cb -0.40 -1.22 1.49 0.00 0.00 0.00 0.00 23.12 22.99 1dq8 s ALA 694 CO 0.52 -0.34 2.08 0.00 0.00 0.00 0.00 175.76 178.02 1dq8 h ALA 695 N 6.19 1.23 -0.43 0.00 0.00 -1.94 -2.50 119.26 121.81 1dq8 h ALA 695 Ca -0.30 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1dq8 h ALA 695 Cb 1.20 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1dq8 h ALA 695 CO 0.15 0.13 0.02 0.97 0.00 0.00 0.00 179.25 180.52 1dq8 h ILE 696 N 0.00 1.22 -0.34 0.00 2.10 -1.97 -0.54 117.51 117.98 1dq8 h ILE 696 Ca -0.00 -0.88 -0.13 0.00 1.08 0.00 0.00 64.86 64.93 1dq8 h ILE 696 Cb 0.34 0.87 -0.01 0.00 -1.09 0.00 0.00 36.82 36.93 1dq8 h ILE 696 CO 0.01 0.31 -0.32 0.78 -1.08 0.00 0.00 178.15 177.85 1dq8 h ASN 697 N 0.65 0.78 -0.26 2.19 2.35 -1.72 0.12 115.58 119.69 1dq8 h ASN 697 Ca 0.14 -0.32 -0.04 0.00 -0.55 0.00 0.00 56.30 55.52 1dq8 h ASN 697 Cb 0.37 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1dq8 h ASN 697 CO 0.01 1.04 0.01 -0.25 -1.65 0.00 0.00 177.43 176.59 1dq8 h TRP 698 N 0.63 0.50 0.19 1.19 2.91 -1.43 0.53 115.95 120.46 1dq8 h TRP 698 Ca 0.07 -0.08 -0.31 0.00 1.13 0.00 0.00 58.89 59.69 1dq8 h TRP 698 Cb 0.85 -0.13 0.02 0.00 -0.51 0.00 0.00 29.16 29.39 1dq8 h TRP 698 CO 0.04 0.61 -1.43 0.82 -1.03 0.00 0.00 178.44 177.45 1dq8 h ILE 699 N 0.24 1.31 0.00 2.65 2.04 -1.09 -3.38 117.51 119.28 1dq8 h ILE 699 Ca 0.07 -2.82 0.00 0.00 1.00 0.00 0.00 64.86 63.11 1dq8 h ILE 699 Cb 0.40 2.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1dq8 h ILE 699 CO 0.01 0.84 -1.78 1.21 0.00 0.00 0.00 178.15 178.43 1dq8 n GLU 700 N -3.61 0.57 0.00 2.37 4.07 0.43 -5.09 120.64 119.37 1dq8 n GLU 700 Ca -0.15 -0.16 0.00 0.00 -0.06 0.00 0.00 57.16 56.80 1dq8 n GLU 700 Cb 1.07 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.96 1dq8 n GLU 700 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1dq8 n GLY 701 N 1.34 -1.49 3.64 8.31 0.00 0.18 -5.02 105.19 112.14 1dq8 n GLY 701 Ca -0.02 -1.56 -0.07 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.97 0.70 6.38 1.61 3.52 -1.12 -4.69 118.95 122.38 1dq8 s ARG 702 Ca 0.00 1.17 0.00 0.00 -0.13 0.00 0.00 55.73 56.77 1dq8 s ARG 702 Cb 0.00 0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.55 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 4.11 1.48 3.71 8.12 0.00 0.90 -3.26 105.19 120.25 1dq8 n GLY 703 Ca -0.19 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 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 4.18 -0.23 1.61 3.01 0.53 -0.88 119.74 127.95 1dq8 s LYS 704 Ca 0.00 -0.10 -0.10 0.00 -1.01 0.00 0.00 55.97 54.76 1dq8 s LYS 704 Cb 0.00 -3.46 -0.05 0.00 -1.01 0.00 0.00 37.83 33.31 1dq8 s LYS 704 CO 0.00 0.19 0.14 -1.12 0.51 0.00 0.00 175.35 175.07 1dq8 s SER 705 N 0.63 5.96 0.04 2.83 0.01 -0.54 -0.87 113.70 121.77 1dq8 s SER 705 Ca 0.11 0.07 -0.03 0.00 1.31 0.00 0.00 55.95 57.42 1dq8 s SER 705 Cb -0.13 -2.07 -0.02 0.00 0.21 0.00 0.00 66.02 64.01 1dq8 s SER 705 CO 0.02 0.07 0.02 0.54 0.41 0.00 0.00 173.24 174.30 1dq8 s VAL 706 N 1.05 0.15 0.01 3.43 0.11 0.44 -0.03 120.40 125.56 1dq8 s VAL 706 Ca 0.07 -1.26 0.05 0.00 -2.93 0.00 0.00 61.98 57.91 1dq8 s VAL 706 Cb -0.14 -0.91 -0.02 0.00 -1.53 0.00 0.00 36.38 33.79 1dq8 s VAL 706 CO 0.04 -0.69 -0.15 0.54 -3.33 0.00 0.00 175.10 171.51 1dq8 s VAL 707 N -2.69 1.18 0.12 2.04 0.11 -0.76 -0.53 120.40 119.87 1dq8 s VAL 707 Ca -0.04 -0.79 0.04 0.00 -2.93 0.00 0.00 61.98 58.25 1dq8 s VAL 707 Cb -0.01 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1dq8 s VAL 707 CO -0.05 0.21 -0.10 0.00 -3.33 0.00 0.00 175.10 171.82 1dq8 s GLU 709 N -3.22 1.19 0.08 0.00 -1.05 -0.49 -1.52 118.70 113.69 1dq8 s GLU 709 Ca 0.11 -0.19 -0.26 0.00 -0.15 0.00 0.00 54.97 54.48 1dq8 s GLU 709 Cb -0.00 0.55 0.08 0.00 -0.44 0.00 0.00 34.13 34.32 1dq8 s GLU 709 CO 0.00 -0.47 0.70 0.00 0.95 0.00 0.00 175.26 176.44 1dq8 s ALA 710 N -2.77 -1.69 -0.14 -0.84 0.00 -0.61 -1.34 121.76 114.37 1dq8 s ALA 710 Ca -0.04 0.77 0.01 0.00 0.00 0.00 0.00 51.96 52.71 1dq8 s ALA 710 Cb -0.01 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.72 1dq8 s ALA 710 CO -0.04 -0.68 -0.19 0.08 0.00 0.00 0.00 175.76 174.93 1dq8 s VAL 711 N -3.19 2.38 -0.36 0.00 1.01 -1.26 -1.44 120.40 117.55 1dq8 s VAL 711 Ca 0.01 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 1dq8 s VAL 711 Cb -0.01 -1.98 0.04 0.00 0.00 0.00 0.00 36.38 34.44 1dq8 s VAL 711 CO -0.09 0.53 0.15 -0.63 0.00 0.00 0.00 175.10 175.07 1dq8 s ILE 712 N 0.78 4.03 0.39 2.22 -1.09 0.13 -4.66 121.20 123.00 1dq8 s ILE 712 Ca -0.07 -1.13 -0.24 0.00 -2.23 0.00 0.00 60.65 56.98 1dq8 s ILE 712 Cb -0.16 -3.31 -0.12 0.00 -1.58 0.00 0.00 42.46 37.29 1dq8 s ILE 712 CO -0.00 -0.25 0.85 -2.65 -1.23 0.00 0.00 174.94 171.66 1dq8 n PRO 713 N 4.87 1.06 -0.30 2.79 -0.02 -1.26 -0.77 135.00 141.36 1dq8 n PRO 713 Ca -0.12 0.38 0.14 0.00 -2.02 0.00 0.00 63.50 61.88 1dq8 n PRO 713 Cb 0.45 -1.81 0.30 0.00 -0.02 0.00 0.00 33.50 32.42 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 1.36 1.30 -0.20 3.55 0.00 -1.92 0.09 119.26 123.45 1dq8 h ALA 714 Ca -0.42 0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1dq8 h ALA 714 Cb 1.36 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1dq8 h ALA 714 CO 0.56 -0.48 -0.40 -0.22 0.00 0.00 0.00 179.25 178.71 1dq8 h LYS 715 N 0.20 0.45 -0.43 0.00 3.64 -1.90 -2.27 116.57 116.26 1dq8 h LYS 715 Ca 0.56 -0.22 -0.14 0.00 -1.27 0.00 0.00 60.65 59.58 1dq8 h LYS 715 Cb 1.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1dq8 h LYS 715 CO -0.67 0.78 -0.28 0.28 -2.27 0.00 0.00 179.45 177.30 1dq8 h VAL 716 N 0.37 1.27 -0.55 2.00 2.07 -1.35 0.21 116.25 120.27 1dq8 h VAL 716 Ca 0.03 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.14 1dq8 h VAL 716 Cb 0.87 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 1dq8 h VAL 716 CO 0.07 0.49 0.33 0.58 0.02 0.00 0.00 177.57 179.06 1dq8 h VAL 717 N 0.78 1.06 -0.04 2.57 2.07 -1.05 0.13 116.25 121.77 1dq8 h VAL 717 Ca 0.09 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1dq8 h VAL 717 Cb 0.84 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1dq8 h VAL 717 CO 0.07 0.12 -0.10 0.03 0.02 0.00 0.00 177.57 177.72 1dq8 h ARG 718 N 0.66 0.14 0.04 1.57 3.08 -1.19 -1.50 114.38 117.19 1dq8 h ARG 718 Ca 0.22 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 1dq8 h ARG 718 Cb 0.02 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1dq8 h ARG 718 CO -0.09 0.69 -0.02 0.93 -1.07 0.00 0.00 179.97 180.40 1dq8 h GLU 719 N -0.39 -0.06 0.08 0.04 5.08 -0.48 -2.55 114.58 116.30 1dq8 h GLU 719 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1dq8 h GLU 719 Cb 0.69 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1dq8 h GLU 719 CO 0.02 0.51 -0.80 0.28 -1.00 0.00 0.00 179.01 178.03 1dq8 h VAL 720 N -0.68 1.39 0.00 3.13 2.07 -0.91 -3.38 116.25 117.87 1dq8 h VAL 720 Ca -0.01 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.11 1dq8 h VAL 720 Cb 0.59 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 1dq8 h VAL 720 CO 0.01 0.63 -0.43 -0.07 0.02 0.00 0.00 177.57 177.73 1dq8 h LEU 721 N -0.62 0.00 0.51 2.57 3.38 -1.16 -3.48 115.31 116.51 1dq8 h LEU 721 Ca -0.17 -0.13 -0.34 0.00 0.09 0.00 0.00 57.88 57.33 1dq8 h LEU 721 Cb 1.44 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.26 1dq8 h LEU 721 CO 0.04 0.06 -0.52 0.29 0.09 0.00 0.00 178.44 178.40 1dq8 n LYS 722 N -2.24 -4.57 -0.54 1.13 4.76 -0.64 -4.67 118.16 111.39 1dq8 n LYS 722 Ca 0.04 0.76 0.00 0.00 -2.87 0.00 0.00 58.31 56.24 1dq8 n LYS 722 Cb 0.45 -5.34 0.00 0.00 -1.84 0.00 0.00 35.03 28.29 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 -4.37 0.00 -4.43 -0.18 5.66 -1.17 -4.82 114.28 104.97 1dq8 n THR 723 Ca -0.08 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.70 1dq8 n THR 723 Cb 0.59 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.27 1dq8 n THR 723 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1dq8 s THR 724 N -2.55 1.96 0.15 1.09 -4.23 -1.26 -3.35 115.64 107.45 1dq8 s THR 724 Ca 0.00 -2.23 -0.14 0.00 -1.18 0.00 0.00 61.69 58.13 1dq8 s THR 724 Cb 0.00 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 71.54 1dq8 s THR 724 CO 0.00 -0.39 1.69 0.74 -0.54 0.00 0.00 174.62 176.12 1dq8 h THR 725 N 2.32 1.21 -0.95 3.99 2.02 -1.91 -1.85 112.91 117.74 1dq8 h THR 725 Ca -0.40 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.13 1dq8 h THR 725 Cb 1.24 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 68.37 1dq8 h THR 725 CO 0.64 0.24 0.60 -0.08 0.37 0.00 0.00 175.52 177.30 1dq8 h GLU 726 N 0.62 1.27 -0.22 6.66 4.81 -1.94 -1.66 114.58 124.12 1dq8 h GLU 726 Ca 0.16 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1dq8 h GLU 726 Cb 0.20 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1dq8 h GLU 726 CO -0.01 0.86 -0.10 0.00 -0.73 0.00 0.00 179.01 179.03 1dq8 h ALA 727 N 1.37 0.31 -0.39 2.92 0.00 -1.92 -2.03 119.26 119.50 1dq8 h ALA 727 Ca 0.34 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1dq8 h ALA 727 Cb -0.10 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.53 1dq8 h ALA 727 CO -0.07 0.14 -0.13 0.52 0.00 0.00 0.00 179.25 179.71 1dq8 h MET 728 N 0.16 -0.05 -0.51 0.00 2.86 -0.96 -0.21 114.93 116.22 1dq8 h MET 728 Ca 0.05 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1dq8 h MET 728 Cb 0.59 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1dq8 h MET 728 CO 0.03 -0.03 0.15 0.82 1.06 0.00 0.00 176.91 178.94 1dq8 h ILE 729 N -0.05 1.23 -0.51 -1.22 2.04 -1.27 -0.23 117.51 117.51 1dq8 h ILE 729 Ca 0.19 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 1dq8 h ILE 729 Cb 0.34 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1dq8 h ILE 729 CO -0.43 0.29 0.26 -0.08 0.00 0.00 0.00 178.15 178.18 1dq8 h GLU 730 N 0.70 0.73 -0.44 2.37 4.57 -0.96 -0.49 114.58 121.06 1dq8 h GLU 730 Ca 0.16 -0.10 -0.08 0.00 -1.18 0.00 0.00 59.36 58.16 1dq8 h GLU 730 Cb 0.29 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1dq8 h GLU 730 CO -0.00 0.59 -0.04 0.28 -1.18 0.00 0.00 179.01 178.66 1dq8 h VAL 731 N 0.68 1.27 0.04 0.32 2.07 -0.84 -2.63 116.25 117.15 1dq8 h VAL 731 Ca 0.18 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.60 1dq8 h VAL 731 Cb 0.10 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1dq8 h VAL 731 CO -0.02 0.38 -0.07 -1.13 0.02 0.00 0.00 177.57 176.74 1dq8 h ASN 732 N 0.63 -0.20 -0.54 0.57 -1.24 -0.69 0.11 115.58 114.23 1dq8 h ASN 732 Ca 0.12 0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.17 1dq8 h ASN 732 Cb 0.55 0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.65 1dq8 h ASN 732 CO 0.03 -0.11 0.34 0.40 -1.29 0.00 0.00 177.43 176.80 1dq8 h ILE 733 N -0.15 1.10 0.00 2.57 2.04 -1.12 -1.21 117.51 120.74 1dq8 h ILE 733 Ca 0.02 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1dq8 h ILE 733 Cb 0.16 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1dq8 h ILE 733 CO -0.05 0.13 -0.29 0.78 0.00 0.00 0.00 178.15 178.72 1dq8 h ASN 734 N 0.69 0.00 0.00 1.72 2.35 -1.24 -1.12 115.58 117.98 1dq8 h ASN 734 Ca 0.20 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1dq8 h ASN 734 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1dq8 h ASN 734 CO -0.07 0.02 -0.45 1.17 -1.65 0.00 0.00 177.43 176.45 1dq8 n LYS 735 N -2.58 0.24 0.26 0.81 4.81 0.38 -2.00 118.16 120.08 1dq8 n LYS 735 Ca 0.04 0.10 0.15 0.00 -0.87 0.00 0.00 58.31 57.72 1dq8 n LYS 735 Cb 0.49 -0.92 0.63 0.00 0.02 0.00 0.00 35.03 35.25 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 -0.45 0.00 0.00 3.14 2.35 -1.37 -1.90 115.58 117.34 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 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1dq8 h ASN 736 CO 0.00 0.09 -0.33 0.18 -1.65 0.00 0.00 177.43 175.71 1dq8 n LEU 737 N -3.24 0.90 -0.11 1.61 4.77 -1.11 -4.25 117.00 115.57 1dq8 n LEU 737 Ca 0.00 0.14 -0.11 0.00 -0.03 0.00 0.00 56.01 56.01 1dq8 n LEU 737 Cb 0.33 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1dq8 n LEU 737 CO 0.29 -0.48 0.74 0.58 -1.33 0.00 0.00 177.39 177.19 1dq8 h VAL 738 N -0.33 1.27 0.15 4.08 2.07 -1.39 -1.18 116.25 120.92 1dq8 h VAL 738 Ca 0.00 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 1dq8 h VAL 738 Cb 0.33 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1dq8 h VAL 738 CO 0.00 0.34 -0.10 1.23 0.02 0.00 0.00 177.57 179.06 1dq8 h GLY 739 N 0.37 -0.25 1.36 2.17 0.00 -0.78 0.26 103.07 106.19 1dq8 h GLY 739 Ca 0.08 0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.55 1dq8 h GLY 739 CO 0.02 -0.11 0.37 1.76 0.00 0.00 0.00 176.54 178.59 1dq8 h SER 740 N -0.25 0.56 -0.30 0.19 0.02 -1.34 -0.89 113.55 111.54 1dq8 h SER 740 Ca -0.01 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1dq8 h SER 740 Cb 0.22 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1dq8 h SER 740 CO 0.01 0.39 -0.10 0.00 -1.14 0.00 0.00 176.83 175.98 1dq8 h ALA 741 N 1.67 0.42 -0.37 3.77 0.00 -0.61 -0.79 119.26 123.36 1dq8 h ALA 741 Ca 0.22 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1dq8 h ALA 741 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1dq8 h ALA 741 CO -0.06 0.28 0.06 0.52 0.00 0.00 0.00 179.25 180.05 1dq8 h MET 742 N 0.37 0.55 0.00 0.00 2.86 0.32 -1.52 114.93 117.52 1dq8 h MET 742 Ca 0.07 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1dq8 h MET 742 Cb 0.61 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1dq8 h MET 742 CO 0.04 0.53 0.00 0.00 1.06 0.00 0.00 176.91 178.54 1dq8 n ALA 743 N -2.48 2.18 -2.62 6.32 0.00 -0.51 -4.93 120.51 118.48 1dq8 n ALA 743 Ca 0.02 -0.10 -0.07 0.00 0.00 0.00 0.00 53.44 53.29 1dq8 n ALA 743 Cb 0.21 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.29 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 0.95 0.13 3.84 0.00 0.00 -0.57 -5.03 105.19 104.51 1dq8 n GLY 744 Ca 0.08 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.52 6.81 -0.30 1.61 0.15 -0.34 -5.04 113.70 113.07 1dq8 s SER 745 Ca 0.02 1.00 0.03 0.00 0.70 0.00 0.00 55.95 57.71 1dq8 s SER 745 Cb -0.01 -2.26 0.08 0.00 -1.71 0.00 0.00 66.02 62.12 1dq8 s SER 745 CO 0.30 0.22 -0.03 -0.63 1.20 0.00 0.00 173.24 174.30 1dq8 s ILE 746 N -1.28 2.17 0.00 6.45 -1.09 -1.26 -4.70 121.20 121.49 1dq8 s ILE 746 Ca 0.31 -1.95 0.00 0.00 -2.23 0.00 0.00 60.65 56.78 1dq8 s ILE 746 Cb -0.16 -2.44 0.00 0.00 -1.58 0.00 0.00 42.46 38.28 1dq8 s ILE 746 CO 0.17 -0.31 0.00 0.61 -1.23 0.00 0.00 174.94 174.18 1dq8 n GLY 747 N 4.36 0.94 2.84 6.18 0.00 -1.26 -4.94 105.19 113.31 1dq8 n GLY 747 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 5.59 2.53 -0.02 0.00 -1.26 -1.32 105.19 108.71 1dq8 n GLY 748 Ca 0.00 -2.49 -0.38 0.00 0.00 0.00 0.00 46.02 43.15 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 -0.56 2.51 -3.97 1.61 4.02 -0.85 -4.83 117.16 115.09 1dq8 n TYR 749 Ca 0.53 -2.63 -0.09 0.00 -0.01 0.00 0.00 57.90 55.70 1dq8 n TYR 749 Cb 0.30 -1.62 -0.04 0.00 -0.02 0.00 0.00 39.34 37.95 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 -0.03 -0.01 -0.12 7.72 2.20 -1.24 -1.42 114.94 122.04 1dq8 s ASN 750 Ca 0.52 -0.96 -0.06 0.00 -0.94 0.00 0.00 52.86 51.42 1dq8 s ASN 750 Cb 0.22 0.63 -0.04 0.00 -2.00 0.00 0.00 41.25 40.07 1dq8 s ASN 750 CO -0.13 -1.23 0.02 0.00 -2.94 0.00 0.00 177.10 172.82 1dq8 h ALA 751 N 2.18 0.01 -0.24 3.54 0.00 -1.94 -3.46 119.26 119.36 1dq8 h ALA 751 Ca -0.26 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.16 1dq8 h ALA 751 Cb 1.25 0.19 -0.23 0.00 0.00 0.00 0.00 17.79 19.00 1dq8 h ALA 751 CO 0.34 0.19 -0.58 -2.39 0.00 0.00 0.00 179.25 176.81 1dq8 n HIS 752 N -4.70 -1.25 -0.28 0.00 1.44 -1.26 -4.96 115.22 104.21 1dq8 n HIS 752 Ca -0.05 -2.05 0.11 0.00 -2.01 0.00 0.00 57.72 53.72 1dq8 n HIS 752 Cb 0.15 1.01 0.35 0.00 0.12 0.00 0.00 29.99 31.62 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 1.98 1.77 -0.71 1.59 0.00 -1.88 -1.52 119.26 120.49 1dq8 h ALA 753 Ca -0.28 0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.75 1dq8 h ALA 753 Cb 1.27 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1dq8 h ALA 753 CO 0.03 -0.01 0.47 0.00 0.00 0.00 0.00 179.25 179.74 1dq8 h ALA 754 N 1.59 1.87 -0.35 0.00 0.00 -1.93 -0.55 119.26 119.89 1dq8 h ALA 754 Ca 0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 1dq8 h ALA 754 Cb 0.66 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1dq8 h ALA 754 CO -0.21 -0.02 0.15 -0.91 0.00 0.00 0.00 179.25 178.26 1dq8 h ASN 755 N 0.60 0.47 -0.13 0.00 2.35 -1.69 0.84 115.58 118.02 1dq8 h ASN 755 Ca 0.33 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.86 1dq8 h ASN 755 Cb 0.49 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 1dq8 h ASN 755 CO -0.11 0.48 -0.20 0.40 -1.65 0.00 0.00 177.43 176.35 1dq8 h ILE 756 N 0.42 1.37 -0.40 2.81 5.03 -1.47 -2.36 117.51 122.90 1dq8 h ILE 756 Ca 0.12 -1.44 0.04 0.00 -0.12 0.00 0.00 64.86 63.46 1dq8 h ILE 756 Cb 0.15 2.01 -0.04 0.00 -3.03 0.00 0.00 36.82 35.91 1dq8 h ILE 756 CO -0.01 0.42 0.17 0.58 -0.68 0.00 0.00 178.15 178.63 1dq8 h VAL 757 N -0.05 0.94 -0.44 1.67 2.07 -1.06 -1.81 116.25 117.57 1dq8 h VAL 757 Ca 0.01 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1dq8 h VAL 757 Cb 0.77 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1dq8 h VAL 757 CO 0.05 0.07 0.26 0.74 0.02 0.00 0.00 177.57 178.70 1dq8 h THR 758 N 0.36 1.14 -0.50 2.57 2.02 -0.83 -1.30 112.91 116.37 1dq8 h THR 758 Ca 0.17 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 1dq8 h THR 758 Cb 0.11 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1dq8 h THR 758 CO -0.15 0.14 0.17 0.00 0.37 0.00 0.00 175.52 176.06 1dq8 h ALA 759 N 1.12 0.65 -0.48 6.16 0.00 -1.13 -1.65 119.26 123.94 1dq8 h ALA 759 Ca 0.16 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1dq8 h ALA 759 Cb -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1dq8 h ALA 759 CO -0.03 0.29 -0.22 0.82 0.00 0.00 0.00 179.25 180.11 1dq8 h ILE 760 N 0.67 1.27 -0.43 0.00 2.04 -1.27 0.15 117.51 119.95 1dq8 h ILE 760 Ca 0.16 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.64 1dq8 h ILE 760 Cb 0.24 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1dq8 h ILE 760 CO -0.01 0.48 0.27 1.88 0.00 0.00 0.00 178.15 180.77 1dq8 h TYR 761 N 0.84 0.55 -0.51 1.37 -1.99 -1.07 0.14 116.97 116.31 1dq8 h TYR 761 Ca 0.11 0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.73 1dq8 h TYR 761 Cb 0.80 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 39.33 1dq8 h TYR 761 CO 0.05 0.37 -0.13 0.82 -0.00 0.00 0.00 178.16 179.28 1dq8 h ILE 762 N 0.57 1.27 -0.22 -2.88 2.04 -1.29 0.51 117.51 117.51 1dq8 h ILE 762 Ca 0.15 -1.27 -0.11 0.00 1.00 0.00 0.00 64.86 64.63 1dq8 h ILE 762 Cb -0.03 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1dq8 h ILE 762 CO -0.03 0.44 -0.33 0.00 0.00 0.00 0.00 178.15 178.23 1dq8 h ALA 763 N 0.99 1.01 -0.58 1.87 0.00 -1.00 -3.22 119.26 118.32 1dq8 h ALA 763 Ca 0.13 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1dq8 h ALA 763 Cb 0.68 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1dq8 h ALA 763 CO 0.05 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.90 1dq8 n GLY 765 N 0.78 0.93 2.22 0.00 0.00 -0.93 -4.59 105.19 103.60 1dq8 n GLY 765 Ca 0.26 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.54 -0.71 -3.30 1.61 1.13 0.13 -3.01 117.38 110.69 1dq8 n GLN 766 Ca -0.12 -1.19 -0.44 0.00 -1.94 0.00 0.00 57.00 53.30 1dq8 n GLN 766 Cb 0.42 -0.77 -0.07 0.00 0.11 0.00 0.00 30.24 29.93 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 -3.78 6.18 0.57 1.08 -1.08 -1.26 -4.78 116.67 113.60 1dq8 s ASP 767 Ca 0.43 -1.29 0.25 0.00 -0.52 0.00 0.00 52.55 51.43 1dq8 s ASP 767 Cb -0.01 -2.22 1.60 0.00 -1.46 0.00 0.00 42.92 40.83 1dq8 s ASP 767 CO 0.30 -0.77 2.17 0.00 0.52 0.00 0.00 175.17 177.39 1dq8 h ALA 768 N 8.87 1.79 0.00 3.66 0.00 -1.94 -1.02 119.26 130.62 1dq8 h ALA 768 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1dq8 h ALA 768 Cb 1.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1dq8 h ALA 768 CO 0.94 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 180.07 1dq8 h ALA 769 N 1.93 1.00 0.00 0.00 0.00 -2.01 -0.72 119.26 119.46 1dq8 h ALA 769 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1dq8 h ALA 769 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1dq8 h ALA 769 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 1dq8 n GLN 770 N -3.04 0.95 0.24 0.00 6.02 -0.38 -3.06 117.38 118.11 1dq8 n GLN 770 Ca -0.01 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.07 1dq8 n GLN 770 Cb 0.18 -1.37 0.60 0.00 1.02 0.00 0.00 30.24 30.67 1dq8 n GLN 770 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 177.06 173.10 1dq8 h ASN 771 N 0.00 0.00 -0.25 1.08 7.08 -1.29 0.20 115.58 122.40 1dq8 h ASN 771 Ca 0.00 0.00 0.05 0.00 -3.08 0.00 0.00 56.30 53.27 1dq8 h ASN 771 Cb 0.00 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 36.17 1dq8 h ASN 771 CO 0.00 0.19 -0.49 0.58 -2.08 0.00 0.00 177.43 175.62 1dq8 h VAL 772 N 0.00 0.06 0.00 6.14 2.07 -1.77 -2.14 116.25 120.61 1dq8 h VAL 772 Ca -0.00 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.28 1dq8 h VAL 772 Cb 0.44 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1dq8 h VAL 772 CO 0.02 0.00 -1.71 0.61 0.02 0.00 0.00 177.57 176.51 1dq8 n GLY 773 N -1.42 -1.08 0.29 2.17 0.00 -1.12 -4.07 105.19 99.97 1dq8 n GLY 773 Ca -0.04 -0.14 0.17 0.00 0.00 0.00 0.00 46.02 46.02 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 1.16 1.61 0.02 -0.54 -2.70 113.55 113.10 1dq8 h SER 774 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1dq8 h SER 774 Cb 1.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.37 1dq8 h SER 774 CO 0.05 0.04 0.00 -1.20 -1.14 0.00 0.00 176.83 174.59 1dq8 n SER 775 N -3.25 0.47 -4.61 3.07 7.64 -0.81 -4.51 113.62 111.62 1dq8 n SER 775 Ca -0.01 0.56 -0.52 0.00 1.01 0.00 0.00 58.87 59.90 1dq8 n SER 775 Cb 0.22 -0.68 -0.06 0.00 -1.01 0.00 0.00 64.21 62.68 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 -1.96 1.88 -3.62 6.43 3.02 -1.02 -4.60 115.26 115.40 1dq8 n ASN 776 Ca 0.05 1.11 -0.11 0.00 -0.03 0.00 0.00 54.58 55.60 1dq8 n ASN 776 Cb 0.36 -1.20 -0.07 0.00 -0.61 0.00 0.00 39.78 38.26 1dq8 n ASN 776 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dq8 s ILE 778 N -0.09 1.76 -0.20 0.00 2.07 -0.69 -2.00 121.20 122.06 1dq8 s ILE 778 Ca 0.00 -0.79 -0.06 0.00 -1.41 0.00 0.00 60.65 58.40 1dq8 s ILE 778 Cb -0.04 -1.59 -0.03 0.00 0.13 0.00 0.00 42.46 40.93 1dq8 s ILE 778 CO -0.02 0.49 0.01 -0.89 -1.91 0.00 0.00 174.94 172.63 1dq8 s THR 779 N 1.01 4.13 0.05 4.00 2.01 -0.51 -1.19 115.64 125.13 1dq8 s THR 779 Ca -0.04 -0.25 0.08 0.00 0.31 0.00 0.00 61.69 61.78 1dq8 s THR 779 Cb -0.15 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 1dq8 s THR 779 CO -0.04 0.43 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.35 1dq8 s LEU 780 N 0.88 2.17 -0.01 4.42 1.43 -0.07 -4.90 118.68 122.60 1dq8 s LEU 780 Ca 0.01 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1dq8 s LEU 780 Cb -0.14 -1.01 0.01 0.00 0.03 0.00 0.00 46.19 45.08 1dq8 s LEU 780 CO 0.02 0.17 -0.01 -0.04 0.23 0.00 0.00 176.35 176.72 1dq8 s MET 781 N -1.23 0.11 0.09 1.70 -1.94 -1.26 -1.14 119.30 115.64 1dq8 s MET 781 Ca 0.08 -0.01 -0.16 0.00 -1.71 0.00 0.00 55.69 53.89 1dq8 s MET 781 Cb -0.09 -0.16 0.03 0.00 2.01 0.00 0.00 34.83 36.62 1dq8 s MET 781 CO 0.02 -0.01 0.39 -1.83 -0.01 0.00 0.00 175.02 173.58 1dq8 s GLU 782 N 0.22 1.00 0.31 2.03 -1.05 -0.45 -4.89 118.70 115.87 1dq8 s GLU 782 Ca -0.02 -0.59 -0.29 0.00 -0.15 0.00 0.00 54.97 53.92 1dq8 s GLU 782 Cb -0.03 0.44 -0.10 0.00 -0.44 0.00 0.00 34.13 34.00 1dq8 s GLU 782 CO -0.01 -0.37 1.27 0.00 0.95 0.00 0.00 175.26 177.10 1dq8 s ALA 783 N -3.31 3.48 0.23 -0.84 0.00 -1.26 -0.90 121.76 119.16 1dq8 s ALA 783 Ca -0.00 1.19 -0.03 0.00 0.00 0.00 0.00 51.96 53.12 1dq8 s ALA 783 Cb 0.01 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1dq8 s ALA 783 CO -0.08 -0.55 0.24 0.45 0.00 0.00 0.00 175.76 175.82 1dq8 s SER 784 N -0.50 0.24 0.00 0.00 0.15 0.06 -4.81 113.70 108.83 1dq8 s SER 784 Ca 0.49 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.83 1dq8 s SER 784 Cb -0.38 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1dq8 s SER 784 CO 0.50 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.60 1dq8 n GLY 785 N -0.34 1.15 0.37 9.45 0.00 -1.26 -1.42 105.19 113.14 1dq8 n GLY 785 Ca 0.01 -1.87 0.04 0.00 0.00 0.00 0.00 46.02 44.21 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 1.08 -0.01 1.61 0.11 -2.01 -1.59 132.00 131.20 1dq8 h PRO 786 Ca 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1dq8 h PRO 786 Cb 0.00 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 30.87 1dq8 h PRO 786 CO 0.00 0.72 -0.47 0.25 -0.21 0.00 0.00 178.00 178.28 1dq8 n THR 787 N -4.54 0.00 -2.58 -1.15 -2.24 -1.26 -4.99 114.28 97.52 1dq8 n THR 787 Ca 0.17 -0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 1dq8 n THR 787 Cb 0.24 0.91 0.01 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.47 -4.16 -0.15 3.42 4.05 -0.60 -4.92 115.26 112.43 1dq8 n ASN 788 Ca 0.09 -0.13 0.04 0.00 0.45 0.00 0.00 54.58 55.04 1dq8 n ASN 788 Cb 0.41 -3.13 -0.01 0.00 1.23 0.00 0.00 39.78 38.28 1dq8 n ASN 788 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1dq8 n GLU 789 N -2.55 2.63 -2.88 1.20 4.71 -0.99 -4.36 120.64 118.39 1dq8 n GLU 789 Ca -0.09 -0.44 -0.31 0.00 -0.01 0.00 0.00 57.16 56.32 1dq8 n GLU 789 Cb 0.58 -1.00 -0.04 0.00 -1.01 0.00 0.00 31.44 29.97 1dq8 n GLU 789 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1dq8 s ASP 790 N -1.33 6.57 -0.37 1.62 1.01 -0.51 -4.05 116.67 119.61 1dq8 s ASP 790 Ca 0.06 1.18 -0.14 0.00 0.71 0.00 0.00 52.55 54.37 1dq8 s ASP 790 Cb 0.07 -2.34 -0.00 0.00 1.01 0.00 0.00 42.92 41.65 1dq8 s ASP 790 CO 0.24 -0.38 0.26 -0.22 0.21 0.00 0.00 175.17 175.28 1dq8 s LEU 791 N -3.71 4.77 -0.05 1.23 2.96 0.05 -0.76 118.68 123.17 1dq8 s LEU 791 Ca 0.52 -0.64 -0.19 0.00 -0.22 0.00 0.00 54.13 53.60 1dq8 s LEU 791 Cb -0.10 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.40 1dq8 s LEU 791 CO 0.29 -0.33 0.54 -0.47 -1.32 0.00 0.00 176.35 175.06 1dq8 s TYR 792 N 1.70 3.62 -0.00 5.38 5.04 -0.08 0.18 117.35 133.18 1dq8 s TYR 792 Ca 0.05 1.07 0.01 0.00 -2.44 0.00 0.00 57.07 55.77 1dq8 s TYR 792 Cb -0.18 -2.57 -0.00 0.00 0.35 0.00 0.00 41.96 39.55 1dq8 s TYR 792 CO 0.10 0.29 -0.04 -1.50 -1.34 0.00 0.00 175.55 173.07 1dq8 s ILE 793 N 0.10 0.29 0.02 3.14 2.07 -0.52 -1.34 121.20 124.96 1dq8 s ILE 793 Ca 0.29 -0.16 0.01 0.00 -1.41 0.00 0.00 60.65 59.38 1dq8 s ILE 793 Cb -0.17 -0.25 -0.02 0.00 0.13 0.00 0.00 42.46 42.15 1dq8 s ILE 793 CO 0.14 0.08 -0.04 -0.94 -1.91 0.00 0.00 174.94 172.27 1dq8 s SER 794 N -0.09 0.45 -0.08 4.50 1.04 -0.29 -1.58 113.70 117.65 1dq8 s SER 794 Ca 0.01 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1dq8 s SER 794 Cb -0.01 0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.18 1dq8 s SER 794 CO -0.00 -0.20 -0.07 0.00 0.98 0.00 0.00 173.24 173.95 1dq8 s THR 796 N 1.36 2.57 -0.37 0.00 2.01 -0.34 -1.12 115.64 119.77 1dq8 s THR 796 Ca -0.03 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.19 1dq8 s THR 796 Cb -0.14 -2.15 0.11 0.00 0.01 0.00 0.00 72.50 70.33 1dq8 s THR 796 CO -0.03 0.46 0.10 -0.04 -0.69 0.00 0.00 174.62 174.41 1dq8 s MET 797 N 1.35 1.44 0.06 4.92 -1.94 0.31 -1.70 119.30 123.74 1dq8 s MET 797 Ca 0.04 -1.88 0.22 0.00 -1.71 0.00 0.00 55.69 52.36 1dq8 s MET 797 Cb -0.14 -3.01 0.89 0.00 2.01 0.00 0.00 34.83 34.58 1dq8 s MET 797 CO -0.09 -0.98 1.68 -0.35 -0.01 0.00 0.00 175.02 175.27 1dq8 n PRO 798 N 4.13 0.06 -3.12 2.03 -0.04 -1.26 -0.42 135.00 136.38 1dq8 n PRO 798 Ca 0.03 0.20 -0.17 0.00 -0.04 0.00 0.00 63.50 63.52 1dq8 n PRO 798 Cb 0.40 -1.59 -0.02 0.00 -0.04 0.00 0.00 33.50 32.25 1dq8 n PRO 798 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1dq8 n SER 799 N -1.70 0.25 -4.59 3.54 3.41 -1.23 -2.80 113.62 110.51 1dq8 n SER 799 Ca 0.05 -3.08 -0.43 0.00 -0.26 0.00 0.00 58.87 55.15 1dq8 n SER 799 Cb 0.26 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 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 -1.87 4.43 -0.46 -1.33 1.01 -0.05 -3.51 121.20 119.42 1dq8 s ILE 800 Ca 0.37 1.02 -0.19 0.00 0.00 0.00 0.00 60.65 61.84 1dq8 s ILE 800 Cb 0.32 -4.45 0.04 0.00 0.01 0.00 0.00 42.46 38.37 1dq8 s ILE 800 CO -0.08 -0.79 0.60 -1.61 0.00 0.00 0.00 174.94 173.05 1dq8 s GLU 801 N 3.86 3.18 0.15 2.79 2.02 -1.26 -0.35 118.70 129.09 1dq8 s GLU 801 Ca 0.40 -0.65 -0.17 0.00 0.02 0.00 0.00 54.97 54.57 1dq8 s GLU 801 Cb -0.10 -4.01 0.04 0.00 0.10 0.00 0.00 34.13 30.16 1dq8 s GLU 801 CO 0.25 -1.07 0.46 -1.50 0.02 0.00 0.00 175.26 173.42 1dq8 s ILE 802 N 2.63 0.05 0.14 -1.63 2.07 -1.26 -4.85 121.20 118.35 1dq8 s ILE 802 Ca 0.18 -0.55 -0.25 0.00 -1.41 0.00 0.00 60.65 58.62 1dq8 s ILE 802 Cb -0.17 -1.25 0.07 0.00 0.13 0.00 0.00 42.46 41.24 1dq8 s ILE 802 CO 0.15 -0.22 0.84 -0.83 -1.91 0.00 0.00 174.94 172.97 1dq8 s GLY 803 N -2.82 -0.32 -0.01 1.50 0.00 -1.26 -3.71 107.32 100.71 1dq8 s GLY 803 Ca 0.04 0.31 0.01 0.00 0.00 0.00 0.00 44.72 45.08 1dq8 s GLY 803 CO -0.10 0.09 0.93 -1.30 0.00 0.00 0.00 173.10 172.72 1dq8 n THR 804 N -0.40 0.89 -3.81 0.90 -2.24 0.44 -4.83 114.28 105.23 1dq8 n THR 804 Ca -0.08 -0.91 -0.12 0.00 -2.27 0.00 0.00 64.05 60.67 1dq8 n THR 804 Cb 0.61 0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 69.27 1dq8 n THR 804 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1dq8 s VAL 805 N -0.94 0.03 0.00 2.28 0.11 -1.25 -1.69 120.40 118.94 1dq8 s VAL 805 Ca 0.02 -0.21 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 1dq8 s VAL 805 Cb 0.01 -0.39 0.00 0.00 -1.53 0.00 0.00 36.38 34.48 1dq8 s VAL 805 CO 0.00 -0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.26 1dq8 n GLY 806 N 2.41 -0.62 7.00 6.54 0.00 -1.26 -4.50 105.19 114.76 1dq8 n GLY 806 Ca -0.16 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.53 2.73 0.28 -0.02 0.00 -1.26 -1.85 105.19 104.54 1dq8 n GLY 807 Ca 0.00 -0.36 0.19 0.00 0.00 0.00 0.00 46.02 45.85 1dq8 n GLY 807 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1dq8 h GLY 808 N 0.00 0.00 1.54 -0.02 0.00 -1.88 -1.97 103.07 100.74 1dq8 h GLY 808 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dq8 h GLY 808 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 1dq8 n THR 809 N -2.92 0.51 0.19 4.70 -2.24 -0.77 -1.96 114.28 111.78 1dq8 n THR 809 Ca -0.01 0.13 0.10 0.00 -2.27 0.00 0.00 64.05 62.00 1dq8 n THR 809 Cb 0.17 -0.86 0.12 0.00 -2.10 0.00 0.00 70.33 67.65 1dq8 n THR 809 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1dq8 h ASN 810 N 0.00 0.00 -3.82 3.42 2.35 -1.45 -3.41 115.58 112.68 1dq8 h ASN 810 Ca 0.00 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.26 1dq8 h ASN 810 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1dq8 h ASN 810 CO 0.00 0.09 0.42 -0.76 -1.65 0.00 0.00 177.43 175.53 1dq8 s LEU 811 N -6.12 4.50 0.15 1.61 1.43 -0.83 -4.93 118.68 114.50 1dq8 s LEU 811 Ca 0.05 2.12 -0.17 0.00 -1.03 0.00 0.00 54.13 55.11 1dq8 s LEU 811 Cb 0.06 -3.73 0.05 0.00 0.03 0.00 0.00 46.19 42.60 1dq8 s LEU 811 CO 0.70 -0.11 1.75 -0.07 0.23 0.00 0.00 176.35 178.85 1dq8 h LEU 812 N 3.67 0.10 -0.02 1.79 3.38 -1.89 0.34 115.31 122.68 1dq8 h LEU 812 Ca -0.46 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.56 1dq8 h LEU 812 Cb 1.21 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1dq8 h LEU 812 CO 0.66 0.10 -0.03 -0.65 0.09 0.00 0.00 178.44 178.61 1dq8 h PRO 813 N 0.25 -0.05 0.00 1.13 0.11 -1.95 0.11 132.00 131.60 1dq8 h PRO 813 Ca 0.15 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.24 1dq8 h PRO 813 Cb 0.14 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 1dq8 h PRO 813 CO -0.17 -0.03 -0.14 -0.56 -0.21 0.00 0.00 178.00 176.89 1dq8 h GLN 814 N -0.05 0.00 -0.11 1.05 -0.00 -1.73 -0.58 115.11 113.69 1dq8 h GLN 814 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.55 1dq8 h GLN 814 Cb 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.55 1dq8 h GLN 814 CO -0.05 0.14 -0.46 1.96 -0.00 0.00 0.00 178.83 180.42 1dq8 h GLN 815 N 0.00 0.28 -0.26 0.06 4.20 -0.14 -1.87 115.11 117.38 1dq8 h GLN 815 Ca -0.00 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1dq8 h GLN 815 Cb 0.30 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1dq8 h GLN 815 CO 0.02 0.69 0.16 0.00 -0.67 0.00 0.00 178.83 179.03 1dq8 h ALA 816 N 1.29 0.33 -0.66 3.87 0.00 0.64 0.24 119.26 124.97 1dq8 h ALA 816 Ca 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1dq8 h ALA 816 Cb 0.90 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1dq8 h ALA 816 CO 0.07 -0.18 0.26 0.00 0.00 0.00 0.00 179.25 179.40 1dq8 h LEU 818 N 0.95 0.89 -0.97 0.00 3.38 -0.76 -2.90 115.31 115.90 1dq8 h LEU 818 Ca 0.22 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1dq8 h LEU 818 Cb 0.19 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1dq8 h LEU 818 CO -0.02 1.06 0.10 1.56 0.09 0.00 0.00 178.44 181.23 1dq8 h GLN 819 N 0.76 0.86 -1.00 1.13 4.20 0.01 -1.51 115.11 119.55 1dq8 h GLN 819 Ca 0.11 -0.19 0.14 0.00 0.06 0.00 0.00 58.65 58.77 1dq8 h GLN 819 Cb 0.74 -0.12 -0.09 0.00 0.30 0.00 0.00 27.48 28.30 1dq8 h GLN 819 CO 0.06 0.79 0.63 1.98 -0.67 0.00 0.00 178.83 181.61 1dq8 h MET 820 N 0.82 0.89 -0.00 1.46 4.05 -1.04 0.14 114.93 121.24 1dq8 h MET 820 Ca 0.17 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 1dq8 h MET 820 Cb 0.34 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1dq8 h MET 820 CO 0.00 0.59 -0.31 1.28 0.23 0.00 0.00 176.91 178.70 1dq8 n LEU 821 N -4.66 0.37 -0.46 3.39 4.77 -0.81 -4.66 117.00 114.94 1dq8 n LEU 821 Ca 0.20 0.14 -0.05 0.00 -0.03 0.00 0.00 56.01 56.27 1dq8 n LEU 821 Cb 0.43 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1dq8 n LEU 821 CO 0.26 0.09 -0.05 0.61 -1.33 0.00 0.00 177.39 176.96 1dq8 n GLY 822 N 1.47 0.44 0.16 -0.72 0.00 0.48 -4.94 105.19 102.09 1dq8 n GLY 822 Ca 0.07 -0.77 0.07 0.00 0.00 0.00 0.00 46.02 45.39 1dq8 n GLY 822 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1dq8 n VAL 823 N -3.46 1.38 -2.27 1.61 0.24 -0.91 -5.01 118.33 109.91 1dq8 n VAL 823 Ca -0.05 -1.65 -0.42 0.00 -2.04 0.00 0.00 64.34 60.18 1dq8 n VAL 823 Cb 0.36 -0.01 -0.03 0.00 -1.47 0.00 0.00 33.84 32.69 1dq8 n VAL 823 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1dq8 s GLN 824 N -2.07 4.37 1.44 7.34 -0.44 -1.23 -4.74 119.66 124.32 1dq8 s GLN 824 Ca 0.22 1.96 0.00 0.00 -2.50 0.00 0.00 55.36 55.04 1dq8 s GLN 824 Cb 0.20 -3.28 0.00 0.00 -1.64 0.00 0.00 33.01 28.28 1dq8 s GLN 824 CO 0.02 -0.36 0.00 0.41 0.50 0.00 0.00 175.29 175.86 1dq8 n GLY 825 N 3.34 -1.74 3.79 2.59 0.00 -0.68 -4.90 105.19 107.59 1dq8 n GLY 825 Ca 0.10 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.10 3.10 -0.62 4.61 0.00 -1.26 -4.62 121.76 121.87 1dq8 s ALA 826 Ca 0.00 0.56 -0.13 0.00 0.00 0.00 0.00 51.96 52.39 1dq8 s ALA 826 Cb 0.00 -3.21 0.16 0.00 0.00 0.00 0.00 23.12 20.06 1dq8 s ALA 826 CO 0.00 -0.01 0.55 0.00 0.00 0.00 0.00 175.76 176.30 1dq8 s LYS 828 N 1.04 4.65 0.00 0.00 -2.85 -1.26 -2.17 119.74 119.15 1dq8 s LYS 828 Ca 0.09 1.78 0.00 0.00 -1.00 0.00 0.00 55.97 56.84 1dq8 s LYS 828 Cb -0.23 -3.20 0.00 0.00 -2.06 0.00 0.00 37.83 32.34 1dq8 s LYS 828 CO -0.02 0.23 0.00 -0.25 0.10 0.00 0.00 175.35 175.41 1dq8 n ASP 829 N 1.28 0.00 -2.74 0.03 8.00 -1.26 -4.84 116.55 117.03 1dq8 n ASP 829 Ca -0.01 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.42 1dq8 n ASP 829 Cb 0.45 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.60 1dq8 n ASP 829 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1dq8 n ASN 830 N 0.00 -2.68 -4.65 -2.24 5.15 -1.11 -5.14 115.26 104.59 1dq8 n ASN 830 Ca 0.00 -3.04 -0.53 0.00 -0.60 0.00 0.00 54.58 50.42 1dq8 n ASN 830 Cb 0.00 1.65 -0.06 0.00 -0.53 0.00 0.00 39.78 40.84 1dq8 n ASN 830 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1dq8 n PRO 831 N 1.70 1.38 0.00 1.20 -0.02 -0.92 -1.91 135.00 136.43 1dq8 n PRO 831 Ca 0.08 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1dq8 n PRO 831 Cb 0.64 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 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 3.32 1.25 0.19 -1.23 0.00 -1.24 -4.81 105.19 102.67 1dq8 n GLY 832 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.24 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 3.35 0.09 -0.37 1.61 4.57 -1.69 -0.71 114.58 121.44 1dq8 h GLU 833 Ca 0.00 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.01 1dq8 h GLU 833 Cb 0.00 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1dq8 h GLU 833 CO 0.00 0.46 -0.28 -0.91 -1.18 0.00 0.00 179.01 177.10 1dq8 h ASN 834 N 0.08 0.88 -0.36 1.04 2.35 -1.88 -1.24 115.58 116.46 1dq8 h ASN 834 Ca 0.01 -0.44 -0.14 0.00 -0.55 0.00 0.00 56.30 55.18 1dq8 h ASN 834 Cb 0.71 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1dq8 h ASN 834 CO 0.05 1.13 -0.31 0.00 -1.65 0.00 0.00 177.43 176.66 1dq8 h ALA 835 N 0.77 0.52 -0.67 -0.83 0.00 -1.76 -1.78 119.26 115.50 1dq8 h ALA 835 Ca 0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1dq8 h ALA 835 Cb 0.85 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1dq8 h ALA 835 CO 0.07 0.56 0.21 0.00 0.00 0.00 0.00 179.25 180.09 1dq8 h ARG 836 N 0.63 1.04 -0.26 0.00 3.08 -1.13 -1.03 114.38 116.71 1dq8 h ARG 836 Ca 0.06 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 1dq8 h ARG 836 Cb 0.89 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1dq8 h ARG 836 CO 0.08 0.90 0.15 0.37 -1.07 0.00 0.00 179.97 180.40 1dq8 h GLN 837 N 0.97 0.37 -0.86 0.04 5.75 -1.10 -1.83 115.11 118.45 1dq8 h GLN 837 Ca 0.22 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 1dq8 h GLN 837 Cb 0.30 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 1dq8 h GLN 837 CO -0.01 0.32 0.54 1.25 -2.65 0.00 0.00 178.83 178.29 1dq8 h LEU 838 N 0.32 1.00 -0.59 -2.39 5.85 -1.04 -1.28 115.31 117.17 1dq8 h LEU 838 Ca 0.09 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1dq8 h LEU 838 Cb 0.06 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1dq8 h LEU 838 CO -0.02 0.75 0.33 0.00 -0.34 0.00 0.00 178.44 179.16 1dq8 h ALA 839 N 1.43 0.76 -0.81 1.25 0.00 -0.76 0.04 119.26 121.17 1dq8 h ALA 839 Ca 0.31 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1dq8 h ALA 839 Cb -0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1dq8 h ALA 839 CO -0.06 0.27 0.43 0.00 0.00 0.00 0.00 179.25 179.89 1dq8 h ARG 840 N 0.80 1.15 -0.70 0.00 3.08 -0.80 -0.13 114.38 117.79 1dq8 h ARG 840 Ca 0.21 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 1dq8 h ARG 840 Cb 0.04 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 1dq8 h ARG 840 CO -0.03 0.86 0.24 0.82 -1.07 0.00 0.00 179.97 180.79 1dq8 h ILE 841 N 1.14 1.25 -0.13 2.04 2.04 -0.74 0.56 117.51 123.67 1dq8 h ILE 841 Ca 0.28 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1dq8 h ILE 841 Cb 0.06 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1dq8 h ILE 841 CO -0.04 0.33 0.05 0.58 0.00 0.00 0.00 178.15 179.07 1dq8 h VAL 842 N 1.01 1.15 -0.89 1.67 2.07 -0.48 0.42 116.25 121.21 1dq8 h VAL 842 Ca 0.23 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1dq8 h VAL 842 Cb 0.26 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1dq8 h VAL 842 CO -0.01 0.13 0.48 0.00 0.02 0.00 0.00 177.57 178.19 1dq8 h GLY 844 N 1.25 1.08 1.23 0.00 0.00 -0.62 -1.97 103.07 104.04 1dq8 h GLY 844 Ca 0.31 -0.85 -0.13 0.00 0.00 0.00 0.00 47.33 46.66 1dq8 h GLY 844 CO -0.05 0.78 -0.28 -0.84 0.00 0.00 0.00 176.54 176.15 1dq8 h THR 845 N 0.88 1.27 -0.56 4.70 2.02 -0.67 -1.66 112.91 118.90 1dq8 h THR 845 Ca 0.15 -1.44 0.04 0.00 0.77 0.00 0.00 66.41 65.93 1dq8 h THR 845 Cb 0.62 1.26 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 1dq8 h THR 845 CO 0.04 0.48 0.30 0.58 0.37 0.00 0.00 175.52 177.29 1dq8 h VAL 846 N 0.74 0.98 -0.92 3.16 2.07 -0.93 0.84 116.25 122.19 1dq8 h VAL 846 Ca 0.09 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1dq8 h VAL 846 Cb 0.84 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1dq8 h VAL 846 CO 0.07 0.11 0.56 -0.03 0.02 0.00 0.00 177.57 178.30 1dq8 h MET 847 N 0.58 1.25 -0.51 1.57 -1.53 -0.99 0.38 114.93 115.67 1dq8 h MET 847 Ca 0.24 -0.11 -0.05 0.00 -3.44 0.00 0.00 59.70 56.34 1dq8 h MET 847 Cb 0.13 -0.26 -0.02 0.00 -0.55 0.00 0.00 31.60 30.89 1dq8 h MET 847 CO -0.15 0.87 0.12 0.00 0.14 0.00 0.00 176.91 177.89 1dq8 h ALA 848 N 1.35 0.68 -0.48 0.39 0.00 -0.67 -0.40 119.26 120.13 1dq8 h ALA 848 Ca 0.33 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1dq8 h ALA 848 Cb -0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1dq8 h ALA 848 CO -0.06 0.37 0.14 0.78 0.00 0.00 0.00 179.25 180.48 1dq8 h GLY 849 N 0.71 0.81 0.95 0.00 0.00 0.43 -2.59 103.07 103.38 1dq8 h GLY 849 Ca 0.16 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 47.01 1dq8 h GLY 849 CO 0.00 0.46 0.35 0.83 0.00 0.00 0.00 176.54 178.18 1dq8 h GLU 850 N 0.64 0.68 -0.48 4.80 4.39 -0.04 -2.10 114.58 122.48 1dq8 h GLU 850 Ca 0.15 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.86 1dq8 h GLU 850 Cb 0.29 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.74 1dq8 h GLU 850 CO -0.00 0.45 0.21 1.25 -1.16 0.00 0.00 179.01 179.76 1dq8 h LEU 851 N 0.71 0.27 -0.20 1.33 5.85 -0.83 -1.48 115.31 120.95 1dq8 h LEU 851 Ca 0.21 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.86 1dq8 h LEU 851 Cb -0.04 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1dq8 h LEU 851 CO -0.07 0.19 -0.32 -1.28 -0.34 0.00 0.00 178.44 176.63 1dq8 h SER 852 N 0.42 0.62 -0.49 1.25 0.87 -1.20 -2.24 113.55 112.77 1dq8 h SER 852 Ca 0.22 -0.53 -0.08 0.00 -1.23 0.00 0.00 61.79 60.17 1dq8 h SER 852 Cb 0.17 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1dq8 h SER 852 CO -0.18 1.03 -0.02 0.25 -0.53 0.00 0.00 176.83 177.38 1dq8 h LEU 853 N 0.24 0.87 -1.37 2.23 5.85 -1.34 -1.52 115.31 120.27 1dq8 h LEU 853 Ca 0.02 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 1dq8 h LEU 853 Cb 0.90 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1dq8 h LEU 853 CO 0.07 0.97 -0.04 0.24 -0.34 0.00 0.00 178.44 179.35 1dq8 h MET 854 N 0.74 0.37 -0.34 1.25 2.86 -1.29 0.22 114.93 118.74 1dq8 h MET 854 Ca 0.14 -0.07 -0.17 0.00 -2.06 0.00 0.00 59.70 57.53 1dq8 h MET 854 Cb 0.54 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1dq8 h MET 854 CO 0.03 0.43 -0.46 0.00 1.06 0.00 0.00 176.91 177.97 1dq8 h ALA 855 N 1.61 0.52 -0.44 6.32 0.00 -1.09 -1.56 119.26 124.62 1dq8 h ALA 855 Ca 0.08 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 1dq8 h ALA 855 Cb 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1dq8 h ALA 855 CO 0.01 0.68 -0.17 0.00 0.00 0.00 0.00 179.25 179.77 1dq8 h ALA 856 N 0.73 0.62 -0.40 0.00 0.00 -0.59 -1.81 119.26 117.81 1dq8 h ALA 856 Ca 0.04 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1dq8 h ALA 856 Cb 1.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1dq8 h ALA 856 CO 0.11 0.56 -0.18 -0.07 0.00 0.00 0.00 179.25 179.67 1dq8 h LEU 857 N 0.73 0.77 -0.95 0.00 3.38 -0.94 0.44 115.31 118.73 1dq8 h LEU 857 Ca 0.10 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1dq8 h LEU 857 Cb 0.74 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1dq8 h LEU 857 CO 0.06 0.94 -0.52 0.00 0.09 0.00 0.00 178.44 179.01 1dq8 h ALA 858 N 1.12 1.12 -0.00 1.53 0.00 -1.16 -3.14 119.26 118.74 1dq8 h ALA 858 Ca 0.10 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1dq8 h ALA 858 Cb 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1dq8 h ALA 858 CO 0.05 0.65 -0.67 0.00 0.00 0.00 0.00 179.25 179.27 1dq8 n ALA 859 N -2.43 3.99 -2.02 0.00 0.00 -0.69 -4.96 120.51 114.40 1dq8 n ALA 859 Ca -0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 53.44 52.93 1dq8 n ALA 859 Cb 0.53 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 1.47 0.33 0.93 0.00 0.00 -0.24 -4.97 105.19 102.71 1dq8 n GLY 860 Ca 0.06 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.00 0.00 0.26 1.61 8.25 0.14 -4.40 115.22 117.07 1dq8 n HIS 861 Ca -0.01 -0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.63 1dq8 n HIS 861 Cb 0.51 -0.00 0.91 0.00 1.12 0.00 0.00 29.99 32.53 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 4.54 0.00 -0.93 2.41 5.85 -1.91 0.54 115.31 125.81 1dq8 h LEU 862 Ca 0.00 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1dq8 h LEU 862 Cb 0.96 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 1dq8 h LEU 862 CO 0.00 0.00 0.59 0.58 -0.34 0.00 0.00 178.44 179.27 1dq8 h VAL 863 N 0.00 1.04 -2.36 1.05 2.07 -1.92 -3.43 116.25 112.70 1dq8 h VAL 863 Ca 0.05 -0.36 -0.53 0.00 0.82 0.00 0.00 66.70 66.67 1dq8 h VAL 863 Cb 0.36 -0.10 0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1dq8 h VAL 863 CO -0.00 0.19 1.22 0.29 0.02 0.00 0.00 177.57 179.29 1dq8 n LYS 864 N -4.57 2.84 0.00 1.57 5.02 0.18 -5.27 118.16 117.92 1dq8 n LYS 864 Ca 0.14 1.04 0.00 0.00 -2.02 0.00 0.00 58.31 57.48 1dq8 n LYS 864 Cb 0.20 -2.99 0.00 0.00 -0.02 0.00 0.00 35.03 32.22 1dq8 n LYS 864 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75