#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cd7 h LYS 460 N 0.00 0.00 -0.03 0.00 3.64 -1.99 -2.69 116.57 115.50 3cd7 h LYS 460 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3cd7 h LYS 460 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3cd7 h LYS 460 CO 0.00 0.10 0.00 1.19 -2.27 0.00 0.00 179.45 178.47 3cd7 n PHE 461 N -3.36 0.03 -3.57 1.91 3.01 -1.26 -4.81 117.46 109.40 3cd7 n PHE 461 Ca -0.01 -0.02 -0.21 0.00 1.01 0.00 0.00 57.45 58.22 3cd7 n PHE 461 Cb 0.29 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.74 3cd7 n PHE 461 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3cd7 s LEU 462 N -1.68 3.27 0.29 4.37 1.43 -1.02 -5.15 118.68 120.21 3cd7 s LEU 462 Ca 0.33 -0.82 0.08 0.00 -1.03 0.00 0.00 54.13 52.68 3cd7 s LEU 462 Cb 0.16 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 3cd7 s LEU 462 CO 0.26 -0.76 0.17 -0.94 0.23 0.00 0.00 176.35 175.30 3cd7 s SER 463 N -4.19 5.11 0.14 2.29 1.04 -1.26 -5.04 113.70 111.79 3cd7 s SER 463 Ca 0.47 -0.49 -0.21 0.00 0.48 0.00 0.00 55.95 56.20 3cd7 s SER 463 Cb -0.03 -1.05 0.01 0.00 0.10 0.00 0.00 66.02 65.04 3cd7 s SER 463 CO 0.28 -0.16 1.66 0.44 0.98 0.00 0.00 173.24 176.44 3cd7 h ASP 464 N 1.52 -0.47 -0.11 7.02 3.32 -1.99 -2.60 116.42 123.10 3cd7 h ASP 464 Ca -0.46 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 3cd7 h ASP 464 Cb 1.25 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 41.03 3cd7 h ASP 464 CO 0.60 -0.19 0.06 0.00 -1.72 0.00 0.00 179.24 178.00 3cd7 h ALA 465 N 0.98 1.89 -0.03 3.45 0.00 -1.99 -2.72 119.26 120.84 3cd7 h ALA 465 Ca 0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3cd7 h ALA 465 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3cd7 h ALA 465 CO -0.29 0.10 -0.14 0.93 0.00 0.00 0.00 179.25 179.85 3cd7 h GLU 466 N 0.16 0.14 -0.74 0.00 5.08 -1.88 -2.48 114.58 114.86 3cd7 h GLU 466 Ca 0.04 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3cd7 h GLU 466 Cb 0.01 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 3cd7 h GLU 466 CO -0.01 0.78 0.49 0.82 -1.00 0.00 0.00 179.01 180.09 3cd7 h ILE 467 N -0.46 1.12 -0.03 3.13 2.04 -1.35 -2.07 117.51 119.90 3cd7 h ILE 467 Ca -0.01 -0.31 -0.15 0.00 1.00 0.00 0.00 64.86 65.39 3cd7 h ILE 467 Cb 0.80 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3cd7 h ILE 467 CO 0.03 0.17 -0.67 0.40 0.00 0.00 0.00 178.15 178.08 3cd7 h ILE 468 N 0.91 1.44 0.00 -0.67 2.04 -1.53 -2.83 117.51 116.86 3cd7 h ILE 468 Ca 0.29 -2.19 -0.09 0.00 1.00 0.00 0.00 64.86 63.87 3cd7 h ILE 468 Cb 0.04 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 3cd7 h ILE 468 CO -0.08 0.64 -0.42 -0.61 0.00 0.00 0.00 178.15 177.68 3cd7 h GLN 469 N 0.09 0.00 -0.08 2.37 4.15 -0.91 -2.50 115.11 118.23 3cd7 h GLN 469 Ca -0.01 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.20 3cd7 h GLN 469 Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.89 3cd7 h GLN 469 CO 0.10 0.42 -0.81 -0.07 -1.93 0.00 0.00 178.83 176.53 3cd7 h LEU 470 N 0.00 0.69 -0.16 -2.39 4.07 -1.18 -2.56 115.31 113.78 3cd7 h LEU 470 Ca -0.00 -0.47 -0.23 0.00 0.08 0.00 0.00 57.88 57.25 3cd7 h LEU 470 Cb 0.80 -0.20 0.01 0.00 1.08 0.00 0.00 40.66 42.34 3cd7 h LEU 470 CO 0.05 1.25 -0.95 0.58 -1.08 0.00 0.00 178.44 178.30 3cd7 h VAL 471 N 0.37 1.38 -0.20 1.22 2.07 -1.44 -1.20 116.25 118.45 3cd7 h VAL 471 Ca -0.06 -2.40 -0.20 0.00 0.82 0.00 0.00 66.70 64.87 3cd7 h VAL 471 Cb 1.42 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 33.59 3cd7 h VAL 471 CO 0.15 0.72 -0.67 0.78 0.02 0.00 0.00 177.57 178.57 3cd7 h ASN 472 N 0.26 0.88 1.03 0.57 -0.26 -1.52 -2.82 115.58 113.71 3cd7 h ASN 472 Ca -0.08 -0.53 0.00 0.00 -0.56 0.00 0.00 56.30 55.13 3cd7 h ASN 472 Cb 1.58 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 38.59 3cd7 h ASN 472 CO 0.17 1.31 0.00 0.00 -1.06 0.00 0.00 177.43 177.85 3cd7 n ALA 473 N -2.58 2.03 -1.76 -0.83 0.00 -0.96 -4.93 120.51 111.48 3cd7 n ALA 473 Ca -0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 3cd7 n ALA 473 Cb 0.69 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 3cd7 n ALA 473 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3cd7 n LYS 474 N -1.99 -0.35 0.09 0.00 4.76 -0.89 -4.94 118.16 114.84 3cd7 n LYS 474 Ca 0.05 0.37 -0.05 0.00 -2.87 0.00 0.00 58.31 55.81 3cd7 n LYS 474 Cb 0.32 -4.11 -0.01 0.00 -1.84 0.00 0.00 35.03 29.39 3cd7 n LYS 474 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3cd7 h HIS 475 N 0.00 0.01 -3.86 2.13 3.86 -1.51 -3.44 115.15 112.34 3cd7 h HIS 475 Ca -0.10 -0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.53 3cd7 h HIS 475 Cb 0.81 -0.00 -0.31 0.00 1.06 0.00 0.00 27.41 28.97 3cd7 h HIS 475 CO 0.12 0.86 -0.84 0.42 0.86 0.00 0.00 177.93 179.35 3cd7 s ILE 476 N -3.06 1.45 0.26 2.45 1.01 -1.16 -5.05 121.20 117.10 3cd7 s ILE 476 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 60.65 59.63 3cd7 s ILE 476 Cb 0.11 -1.25 -0.14 0.00 0.01 0.00 0.00 42.46 41.19 3cd7 s ILE 476 CO 0.80 0.42 1.14 -2.65 0.00 0.00 0.00 174.94 174.65 3cd7 n PRO 477 N 3.19 1.51 0.00 2.79 -0.02 -1.26 -4.43 135.00 136.78 3cd7 n PRO 477 Ca -0.18 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3cd7 n PRO 477 Cb 0.53 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3cd7 n PRO 477 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cd7 n ALA 478 N 0.81 -0.11 1.60 3.55 0.00 -1.26 -3.81 120.51 121.28 3cd7 n ALA 478 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.65 3cd7 n ALA 478 Cb 0.31 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.35 3cd7 n ALA 478 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3cd7 n TYR 479 N -0.93 0.00 -1.46 0.00 0.18 -1.26 -3.14 117.16 110.54 3cd7 n TYR 479 Ca 0.00 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.42 3cd7 n TYR 479 Cb 0.00 0.00 0.07 0.00 -0.38 0.00 0.00 39.34 39.03 3cd7 n TYR 479 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3cd7 n LYS 480 N -0.89 2.73 -0.05 -3.48 5.02 -1.25 -4.52 118.16 115.72 3cd7 n LYS 480 Ca 0.15 -3.36 -0.03 0.00 -2.02 0.00 0.00 58.31 53.05 3cd7 n LYS 480 Cb 0.07 -2.29 -0.09 0.00 -0.02 0.00 0.00 35.03 32.70 3cd7 n LYS 480 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3cd7 n LEU 481 N -0.85 0.00 0.00 -0.35 4.77 -1.19 -4.57 117.00 114.82 3cd7 n LEU 481 Ca 0.61 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.74 3cd7 n LEU 481 Cb 0.59 0.23 0.89 0.00 -2.33 0.00 0.00 43.42 42.80 3cd7 n LEU 481 CO 0.74 0.23 1.07 -0.62 -1.33 0.00 0.00 177.39 177.48 3cd7 n GLU 482 N -2.33 0.85 0.08 3.23 4.71 -1.26 -2.02 120.64 123.90 3cd7 n GLU 482 Ca -0.15 0.00 -0.19 0.00 -0.01 0.00 0.00 57.16 56.81 3cd7 n GLU 482 Cb 0.76 -1.50 -0.10 0.00 -1.01 0.00 0.00 31.44 29.59 3cd7 n GLU 482 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 3cd7 h THR 483 N 0.00 1.35 0.00 2.62 1.35 -1.91 -3.30 112.91 113.01 3cd7 h THR 483 Ca 0.00 -2.53 0.00 0.00 -0.55 0.00 0.00 66.41 63.33 3cd7 h THR 483 Cb 0.07 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 3cd7 h THR 483 CO 0.00 0.76 0.00 -0.07 -0.25 0.00 0.00 175.52 175.96 3cd7 h LEU 484 N 0.24 0.00 0.00 3.87 4.07 -1.68 -3.53 115.31 118.28 3cd7 h LEU 484 Ca -0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.82 3cd7 h LEU 484 Cb 1.81 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.55 3cd7 h LEU 484 CO 0.21 0.00 0.00 -0.38 -1.08 0.00 0.00 178.44 177.19 3cd7 n ILE 485 N -2.73 0.00 -0.04 1.22 5.41 -1.00 -4.48 119.36 117.73 3cd7 n ILE 485 Ca 0.04 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.74 3cd7 n ILE 485 Cb 0.46 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.35 3cd7 n ILE 485 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 3cd7 n HIS 488 N 0.00 0.00 -0.09 1.39 -0.00 -1.26 -5.01 115.22 110.25 3cd7 n HIS 488 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.71 3cd7 n HIS 488 Cb 0.00 -0.33 0.26 0.00 -0.00 0.00 0.00 29.99 29.92 3cd7 n HIS 488 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 3cd7 h GLU 489 N 0.00 0.74 0.00 -0.41 4.81 -1.97 -2.39 114.58 115.36 3cd7 h GLU 489 Ca -0.19 -0.12 -0.17 0.00 -0.13 0.00 0.00 59.36 58.76 3cd7 h GLU 489 Cb 1.31 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 3cd7 h GLU 489 CO -0.03 0.63 -0.82 -0.09 -0.73 0.00 0.00 179.01 177.97 3cd7 h ARG 490 N 0.73 0.00 -0.79 1.92 2.43 -2.00 -2.86 114.38 113.80 3cd7 h ARG 490 Ca 0.17 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3cd7 h ARG 490 Cb 0.18 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 3cd7 h ARG 490 CO -0.01 0.73 0.44 0.78 -1.51 0.00 0.00 179.97 180.40 3cd7 h GLY 491 N 3.27 1.16 0.81 2.80 0.00 -1.91 -2.26 103.07 106.94 3cd7 h GLY 491 Ca -0.02 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.73 3cd7 h GLY 491 CO 0.10 0.49 -0.14 -2.08 0.00 0.00 0.00 176.54 174.90 3cd7 h VAL 492 N 1.10 1.32 -0.96 4.60 2.07 -1.45 -2.63 116.25 120.30 3cd7 h VAL 492 Ca 0.28 -1.26 0.08 0.00 0.82 0.00 0.00 66.70 66.63 3cd7 h VAL 492 Cb 0.01 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 3cd7 h VAL 492 CO -0.05 0.38 0.60 -1.28 0.02 0.00 0.00 177.57 177.24 3cd7 h SER 493 N 0.13 0.92 0.09 0.57 0.87 -1.34 -0.95 113.55 113.85 3cd7 h SER 493 Ca 0.04 0.03 -0.21 0.00 -1.23 0.00 0.00 61.79 60.42 3cd7 h SER 493 Cb 0.66 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 3cd7 h SER 493 CO 0.04 0.55 -0.78 0.40 -0.53 0.00 0.00 176.83 176.51 3cd7 h ILE 494 N 1.04 1.34 -0.74 2.23 2.04 -1.43 -1.74 117.51 120.25 3cd7 h ILE 494 Ca 0.44 -2.10 -0.05 0.00 1.00 0.00 0.00 64.86 64.14 3cd7 h ILE 494 Cb 0.29 2.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 3cd7 h ILE 494 CO -0.21 0.65 0.25 -0.09 0.00 0.00 0.00 178.15 178.74 3cd7 h ARG 495 N 0.38 1.13 -0.43 2.37 2.43 -1.05 -1.87 114.38 117.35 3cd7 h ARG 495 Ca -0.05 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 58.83 3cd7 h ARG 495 Cb 1.38 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 3cd7 h ARG 495 CO 0.15 0.95 0.05 0.00 -1.51 0.00 0.00 179.97 179.61 3cd7 h ARG 496 N 1.08 0.73 -0.06 0.20 3.08 -1.12 -1.58 114.38 116.70 3cd7 h ARG 496 Ca 0.24 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3cd7 h ARG 496 Cb 0.28 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3cd7 h ARG 496 CO -0.01 0.77 -0.00 1.96 -1.07 0.00 0.00 179.97 181.61 3cd7 h GLN 497 N 0.58 0.10 -0.99 0.04 4.20 -1.20 -0.10 115.11 117.75 3cd7 h GLN 497 Ca 0.13 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.89 3cd7 h GLN 497 Cb 0.41 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.11 3cd7 h GLN 497 CO 0.01 0.39 0.63 -0.07 -0.67 0.00 0.00 178.83 179.12 3cd7 h LEU 498 N -0.20 0.98 -0.44 1.46 3.38 -1.38 -2.84 115.31 116.27 3cd7 h LEU 498 Ca 0.02 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 3cd7 h LEU 498 Cb 0.34 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3cd7 h LEU 498 CO 0.00 0.59 -0.66 0.25 0.09 0.00 0.00 178.44 178.71 3cd7 h LEU 499 N 1.09 0.55 -1.10 1.67 5.85 -1.02 -3.30 115.31 119.05 3cd7 h LEU 499 Ca 0.45 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3cd7 h LEU 499 Cb 0.27 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3cd7 h LEU 499 CO -0.20 1.06 0.18 0.28 -0.34 0.00 0.00 178.44 179.41 3cd7 h SER 500 N 0.34 0.75 1.19 1.25 0.02 -0.76 -2.31 113.55 114.03 3cd7 h SER 500 Ca -0.02 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3cd7 h SER 500 Cb 1.22 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.57 3cd7 h SER 500 CO 0.12 0.71 0.00 0.07 -1.14 0.00 0.00 176.83 176.59 3cd7 h LYS 501 N 0.80 0.00 0.00 3.45 2.10 -1.63 -2.52 116.57 118.77 3cd7 h LYS 501 Ca 0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 3cd7 h LYS 501 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 3cd7 h LYS 501 CO -0.01 0.00 -0.02 1.63 -2.00 0.00 0.00 179.45 179.05 3cd7 n LYS 502 N -2.51 0.24 -3.03 0.07 5.02 -0.87 -4.91 118.16 112.16 3cd7 n LYS 502 Ca 0.03 0.19 -0.32 0.00 -2.02 0.00 0.00 58.31 56.20 3cd7 n LYS 502 Cb 0.35 -1.77 -0.05 0.00 -0.02 0.00 0.00 35.03 33.54 3cd7 n LYS 502 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3cd7 s LEU 503 N -4.37 3.97 0.29 -0.35 1.43 -0.95 -4.98 118.68 113.72 3cd7 s LEU 503 Ca 0.11 1.22 -0.00 0.00 -1.03 0.00 0.00 54.13 54.42 3cd7 s LEU 503 Cb 0.13 -4.05 0.49 0.00 0.03 0.00 0.00 46.19 42.79 3cd7 s LEU 503 CO 0.59 -0.28 1.89 0.77 0.23 0.00 0.00 176.35 179.55 3cd7 h SER 504 N 1.86 0.96 -3.68 2.29 4.64 -1.91 -3.33 113.55 114.39 3cd7 h SER 504 Ca -0.48 0.01 -0.67 0.00 -0.47 0.00 0.00 61.79 60.19 3cd7 h SER 504 Cb 1.18 -0.19 -0.38 0.00 -0.31 0.00 0.00 62.40 62.70 3cd7 h SER 504 CO 0.65 0.60 -0.69 -0.70 -0.87 0.00 0.00 176.83 175.82 3cd7 s GLU 505 N -5.96 1.79 0.00 4.77 -6.30 -1.26 -5.00 118.70 106.74 3cd7 s GLU 505 Ca -0.12 -1.73 0.04 0.00 -2.50 0.00 0.00 54.97 50.66 3cd7 s GLU 505 Cb 0.20 -3.24 0.21 0.00 0.00 0.00 0.00 34.13 31.31 3cd7 s GLU 505 CO 0.81 -0.88 0.91 -2.30 0.02 0.00 0.00 175.26 173.81 3cd7 n PRO 506 N 4.38 0.07 -0.35 4.30 -0.02 -1.25 -2.53 135.00 139.61 3cd7 n PRO 506 Ca -0.02 0.20 0.07 0.00 -2.02 0.00 0.00 63.50 61.73 3cd7 n PRO 506 Cb 0.42 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.62 3cd7 n PRO 506 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3cd7 n SER 507 N -1.23 3.57 0.18 2.55 3.41 -1.26 -4.69 113.62 116.15 3cd7 n SER 507 Ca 0.02 -2.51 0.03 0.00 -0.26 0.00 0.00 58.87 56.15 3cd7 n SER 507 Cb 0.03 -0.41 0.35 0.00 -0.26 0.00 0.00 64.21 63.92 3cd7 n SER 507 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3cd7 h SER 508 N 2.14 0.00 -0.03 4.04 4.64 -1.87 -2.40 113.55 120.06 3cd7 h SER 508 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cd7 h SER 508 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3cd7 h SER 508 CO 0.13 0.40 0.00 0.18 -0.87 0.00 0.00 176.83 176.67 3cd7 n LEU 509 N -3.94 0.39 -0.14 5.97 4.77 -1.26 -4.40 117.00 118.39 3cd7 n LEU 509 Ca -0.02 -0.16 -0.06 0.00 -0.03 0.00 0.00 56.01 55.75 3cd7 n LEU 509 Cb 0.44 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3cd7 n LEU 509 CO 0.38 0.08 0.66 -0.61 -1.33 0.00 0.00 177.39 176.58 3cd7 h GLN 510 N 0.53 -0.18 -0.64 3.23 4.15 -1.78 -2.28 115.11 118.14 3cd7 h GLN 510 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3cd7 h GLN 510 Cb 0.12 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.85 3cd7 h GLN 510 CO 0.00 -0.12 0.00 0.66 -1.93 0.00 0.00 178.83 177.44 3cd7 n TYR 511 N -5.42 1.40 -3.01 3.99 4.02 -1.26 -4.79 117.16 112.08 3cd7 n TYR 511 Ca 0.03 -0.54 -0.43 0.00 -0.01 0.00 0.00 57.90 56.94 3cd7 n TYR 511 Cb 0.33 -0.26 -0.06 0.00 -0.02 0.00 0.00 39.34 39.33 3cd7 n TYR 511 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3cd7 s LEU 512 N -1.78 4.35 0.73 7.72 2.96 -0.86 -5.06 118.68 126.75 3cd7 s LEU 512 Ca 0.45 -0.22 -0.15 0.00 -0.22 0.00 0.00 54.13 53.99 3cd7 s LEU 512 Cb 0.30 -2.87 0.04 0.00 0.50 0.00 0.00 46.19 44.16 3cd7 s LEU 512 CO 0.20 -0.88 1.25 -2.84 -1.32 0.00 0.00 176.35 172.76 3cd7 s PRO 513 N 3.13 2.05 0.00 0.98 0.02 -1.26 -4.87 135.00 135.05 3cd7 s PRO 513 Ca 0.27 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.19 3cd7 s PRO 513 Cb -0.13 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.58 3cd7 s PRO 513 CO 0.21 -1.94 0.00 2.48 -0.33 0.00 0.00 177.00 177.42 3cd7 n TYR 514 N -2.66 0.00 -1.53 6.54 0.18 -1.26 -1.85 117.16 116.58 3cd7 n TYR 514 Ca 0.15 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.59 3cd7 n TYR 514 Cb 0.49 0.00 0.08 0.00 -0.38 0.00 0.00 39.34 39.53 3cd7 n TYR 514 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3cd7 s ARG 515 N -1.00 2.37 -1.21 -3.48 0.52 -1.26 -4.21 118.95 110.68 3cd7 s ARG 515 Ca 0.00 1.55 -0.06 0.00 -0.52 0.00 0.00 55.73 56.70 3cd7 s ARG 515 Cb 0.00 -1.88 -0.02 0.00 0.52 0.00 0.00 34.95 33.57 3cd7 s ARG 515 CO 0.00 -1.61 0.78 -0.25 0.02 0.00 0.00 175.30 174.24 3cd7 n ASP 516 N -2.71 -3.24 -3.77 0.23 8.00 -1.26 -5.02 116.55 108.78 3cd7 n ASP 516 Ca 0.12 -0.83 -0.13 0.00 0.71 0.00 0.00 54.79 54.66 3cd7 n ASP 516 Cb 0.51 -4.19 -0.13 0.00 -0.02 0.00 0.00 41.12 37.30 3cd7 n ASP 516 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3cd7 s TYR 517 N -3.55 -0.26 -0.75 1.24 5.04 -1.26 -5.11 117.35 112.69 3cd7 s TYR 517 Ca 0.20 0.64 -0.26 0.00 -2.44 0.00 0.00 57.07 55.22 3cd7 s TYR 517 Cb -0.05 0.06 -0.00 0.00 0.35 0.00 0.00 41.96 42.31 3cd7 s TYR 517 CO 0.80 -0.16 1.67 1.21 -1.34 0.00 0.00 175.55 177.73 3cd7 s ASN 518 N 0.60 5.64 0.00 4.32 2.47 -1.26 -4.82 114.94 121.89 3cd7 s ASN 518 Ca -0.04 -0.29 0.28 0.00 0.42 0.00 0.00 52.86 53.23 3cd7 s ASN 518 Cb -0.05 -2.55 1.10 0.00 -1.45 0.00 0.00 41.25 38.30 3cd7 s ASN 518 CO -0.03 -2.19 1.78 -1.22 -3.72 0.00 0.00 177.10 171.72 3cd7 n TYR 519 N 11.59 0.00 -0.07 0.43 4.02 -1.26 -4.19 117.16 127.69 3cd7 n TYR 519 Ca 0.21 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 58.02 3cd7 n TYR 519 Cb 0.50 -0.16 0.07 0.00 -0.02 0.00 0.00 39.34 39.73 3cd7 n TYR 519 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3cd7 h SER 520 N 0.76 0.77 1.78 7.72 4.64 -1.94 -0.96 113.55 126.31 3cd7 h SER 520 Ca 0.00 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3cd7 h SER 520 Cb 0.40 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3cd7 h SER 520 CO 0.00 1.02 0.00 -0.07 -0.87 0.00 0.00 176.83 176.91 3cd7 h LEU 521 N 0.63 0.00 0.01 5.97 3.38 -1.98 -3.32 115.31 120.01 3cd7 h LEU 521 Ca 0.07 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.76 3cd7 h LEU 521 Cb 0.83 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 3cd7 h LEU 521 CO 0.07 0.00 -1.59 0.58 0.09 0.00 0.00 178.44 177.59 3cd7 h VAL 522 N 0.00 1.00 -3.32 1.22 2.07 -1.66 -3.40 116.25 112.15 3cd7 h VAL 522 Ca 0.00 -2.81 -0.55 0.00 0.82 0.00 0.00 66.70 64.16 3cd7 h VAL 522 Cb 0.89 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 33.15 3cd7 h VAL 522 CO 0.00 0.61 0.47 -0.04 0.02 0.00 0.00 177.57 178.63 3cd7 s MET 523 N -2.62 4.49 -1.33 1.57 -1.94 -0.40 -1.91 119.30 117.17 3cd7 s MET 523 Ca -0.05 1.46 -0.07 0.00 -1.71 0.00 0.00 55.69 55.32 3cd7 s MET 523 Cb 0.08 -3.48 0.01 0.00 2.01 0.00 0.00 34.83 33.46 3cd7 s MET 523 CO 0.82 -0.18 1.09 0.41 -0.01 0.00 0.00 175.02 177.16 3cd7 n GLY 524 N 3.02 -0.48 1.80 -0.03 0.00 -1.24 -4.76 105.19 103.49 3cd7 n GLY 524 Ca 0.07 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3cd7 n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cd7 n ALA 525 N -4.71 0.00 -0.01 4.61 0.00 -1.21 -5.00 120.51 114.20 3cd7 n ALA 525 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.37 3cd7 n ALA 525 Cb 0.59 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.00 3cd7 n ALA 525 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cd7 s GLU 528 N -1.14 1.26 -1.50 0.00 8.01 -1.26 -3.68 118.70 120.39 3cd7 s GLU 528 Ca -0.06 -1.59 -0.07 0.00 0.01 0.00 0.00 54.97 53.26 3cd7 s GLU 528 Cb -0.00 -0.77 0.05 0.00 -4.31 0.00 0.00 34.13 29.10 3cd7 s GLU 528 CO 0.05 0.03 0.60 0.09 0.01 0.00 0.00 175.26 176.05 3cd7 n ASN 529 N -0.35 -1.72 -4.71 -0.19 5.03 -1.26 -4.89 115.26 107.16 3cd7 n ASN 529 Ca -0.07 -0.97 -0.42 0.00 0.87 0.00 0.00 54.58 53.99 3cd7 n ASN 529 Cb 0.62 -3.13 -0.03 0.00 -1.02 0.00 0.00 39.78 36.22 3cd7 n ASN 529 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3cd7 s VAL 530 N -3.68 3.65 -0.07 2.41 1.01 -1.26 -4.92 120.40 117.54 3cd7 s VAL 530 Ca 0.29 1.19 0.04 0.00 0.00 0.00 0.00 61.98 63.49 3cd7 s VAL 530 Cb -0.15 -3.76 0.07 0.00 0.00 0.00 0.00 36.38 32.53 3cd7 s VAL 530 CO 0.89 0.09 1.04 2.30 0.00 0.00 0.00 175.10 179.42 3cd7 n ILE 531 N 3.94 1.15 -0.15 2.22 -5.35 -1.26 -4.66 119.36 115.25 3cd7 n ILE 531 Ca 0.10 -1.21 0.00 0.00 -0.27 0.00 0.00 62.75 61.38 3cd7 n ILE 531 Cb 0.44 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 3cd7 n ILE 531 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3cd7 n GLY 532 N -0.60 0.47 3.30 3.28 0.00 -1.26 -4.84 105.19 105.54 3cd7 n GLY 532 Ca 0.03 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 3cd7 n GLY 532 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3cd7 s TYR 533 N -3.84 -0.23 -0.34 1.61 -0.85 -0.77 -4.97 117.35 107.96 3cd7 s TYR 533 Ca 0.00 0.25 -0.07 0.00 -0.52 0.00 0.00 57.07 56.74 3cd7 s TYR 533 Cb 0.00 0.17 0.04 0.00 0.38 0.00 0.00 41.96 42.54 3cd7 s TYR 533 CO 0.00 -0.50 0.11 1.41 -1.52 0.00 0.00 175.55 175.05 3cd7 s MET 534 N -2.02 2.68 -0.02 -3.49 -2.45 -1.26 -4.13 119.30 108.61 3cd7 s MET 534 Ca -0.08 -1.14 -0.30 0.00 -1.25 0.00 0.00 55.69 52.92 3cd7 s MET 534 Cb -0.02 -3.47 -0.05 0.00 1.25 0.00 0.00 34.83 32.53 3cd7 s MET 534 CO 0.01 -0.65 1.46 -2.14 1.05 0.00 0.00 175.02 174.75 3cd7 s PRO 535 N 1.42 4.25 -0.25 4.11 0.02 -1.26 -5.02 135.00 138.27 3cd7 s PRO 535 Ca -0.01 2.01 -0.06 0.00 0.02 0.00 0.00 61.00 62.96 3cd7 s PRO 535 Cb -0.19 -3.69 -0.01 0.00 0.02 0.00 0.00 34.50 30.63 3cd7 s PRO 535 CO 0.03 -0.67 0.04 0.42 -0.33 0.00 0.00 177.00 176.50 3cd7 s ILE 536 N 2.91 3.96 0.24 2.83 -1.09 -1.26 -5.08 121.20 123.71 3cd7 s ILE 536 Ca 0.66 -0.39 -0.31 0.00 -2.23 0.00 0.00 60.65 58.38 3cd7 s ILE 536 Cb -0.31 -2.89 -0.14 0.00 -1.58 0.00 0.00 42.46 37.54 3cd7 s ILE 536 CO 0.26 0.30 1.24 -2.65 -1.23 0.00 0.00 174.94 172.86 3cd7 n PRO 537 N 4.87 1.65 -3.95 2.79 -0.02 -1.26 -4.75 135.00 134.34 3cd7 n PRO 537 Ca -0.16 0.58 -0.34 0.00 -2.02 0.00 0.00 63.50 61.56 3cd7 n PRO 537 Cb 0.50 -2.13 -0.14 0.00 -0.02 0.00 0.00 33.50 31.72 3cd7 n PRO 537 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3cd7 s VAL 538 N -0.42 2.85 0.58 -1.45 1.01 -1.26 -1.61 120.40 120.09 3cd7 s VAL 538 Ca 0.66 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 61.47 3cd7 s VAL 538 Cb -0.71 -2.53 0.06 0.00 0.00 0.00 0.00 36.38 33.20 3cd7 s VAL 538 CO 0.54 0.07 0.81 -0.83 0.00 0.00 0.00 175.10 175.69 3cd7 s GLY 539 N 1.28 1.81 -0.07 4.51 0.00 -0.50 -4.90 107.32 109.46 3cd7 s GLY 539 Ca -0.02 -1.59 0.02 0.00 0.00 0.00 0.00 44.72 43.13 3cd7 s GLY 539 CO -0.03 -1.22 -0.12 0.54 0.00 0.00 0.00 173.10 172.26 3cd7 s VAL 540 N -2.80 1.16 -0.23 1.40 0.11 -1.26 -1.45 120.40 117.33 3cd7 s VAL 540 Ca 0.60 -0.49 -0.04 0.00 -2.93 0.00 0.00 61.98 59.12 3cd7 s VAL 540 Cb -0.08 -1.07 -0.01 0.00 -1.53 0.00 0.00 36.38 33.70 3cd7 s VAL 540 CO 0.39 0.36 -0.02 0.00 -3.33 0.00 0.00 175.10 172.51 3cd7 s ALA 541 N 0.72 2.87 0.00 1.54 0.00 -0.83 -4.94 121.76 121.12 3cd7 s ALA 541 Ca -0.13 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.61 3cd7 s ALA 541 Cb -0.16 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.17 3cd7 s ALA 541 CO 0.03 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.68 3cd7 n GLY 542 N 4.81 -0.48 3.75 0.00 0.00 -1.26 -1.52 105.19 110.49 3cd7 n GLY 542 Ca -0.17 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 3cd7 n GLY 542 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cd7 s PRO 543 N -2.00 4.59 -0.37 1.61 0.04 -1.26 -4.96 135.00 132.64 3cd7 s PRO 543 Ca 0.00 1.85 -0.17 0.00 0.04 0.00 0.00 61.00 62.72 3cd7 s PRO 543 Cb 0.00 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.35 3cd7 s PRO 543 CO 0.00 0.12 0.42 -1.17 0.04 0.00 0.00 177.00 176.41 3cd7 s LEU 544 N -1.20 4.56 -0.60 -3.56 2.96 0.44 -4.67 118.68 116.62 3cd7 s LEU 544 Ca 0.47 -0.34 -0.23 0.00 -0.22 0.00 0.00 54.13 53.81 3cd7 s LEU 544 Cb -0.33 -2.41 0.06 0.00 0.50 0.00 0.00 46.19 44.01 3cd7 s LEU 544 CO 0.41 -0.46 0.91 0.00 -1.32 0.00 0.00 176.35 175.89 3cd7 s LEU 546 N 3.83 0.59 -1.34 0.00 2.96 -0.70 -1.04 118.68 122.97 3cd7 s LEU 546 Ca 0.24 0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 54.16 3cd7 s LEU 546 Cb -0.16 -0.24 -0.00 0.00 0.50 0.00 0.00 46.19 46.30 3cd7 s LEU 546 CO 0.13 -0.19 0.59 0.47 -1.32 0.00 0.00 176.35 176.04 3cd7 n ASP 547 N 4.89 -0.81 -0.92 3.68 8.00 -0.80 -1.77 116.55 128.81 3cd7 n ASP 547 Ca -0.12 -0.89 -0.12 0.00 0.71 0.00 0.00 54.79 54.37 3cd7 n ASP 547 Cb 0.50 -3.68 -0.05 0.00 -0.02 0.00 0.00 41.12 37.87 3cd7 n ASP 547 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3cd7 n GLU 548 N -4.32 -1.05 -4.55 -1.24 1.02 -1.26 -4.99 120.64 104.26 3cd7 n GLU 548 Ca -0.31 0.90 -0.26 0.00 -0.02 0.00 0.00 57.16 57.47 3cd7 n GLU 548 Cb 0.68 -4.99 -0.09 0.00 -0.02 0.00 0.00 31.44 27.02 3cd7 n GLU 548 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3cd7 s LYS 549 N -2.92 1.90 -0.09 3.49 1.02 -0.73 -5.15 119.74 117.26 3cd7 s LYS 549 Ca 0.00 -2.14 -0.02 0.00 0.02 0.00 0.00 55.97 53.83 3cd7 s LYS 549 Cb 0.00 -0.92 0.03 0.00 -0.52 0.00 0.00 37.83 36.43 3cd7 s LYS 549 CO 0.00 -0.35 0.01 -1.21 -0.92 0.00 0.00 175.35 172.88 3cd7 s GLU 550 N -3.79 0.52 0.05 1.68 2.02 -1.26 -1.71 118.70 116.21 3cd7 s GLU 550 Ca 0.25 0.07 0.07 0.00 0.02 0.00 0.00 54.97 55.38 3cd7 s GLU 550 Cb 0.05 -1.09 -0.03 0.00 0.10 0.00 0.00 34.13 33.15 3cd7 s GLU 550 CO 0.13 -0.36 -0.18 -0.06 0.02 0.00 0.00 175.26 174.80 3cd7 s PHE 551 N 1.99 2.54 -0.32 1.61 0.40 -0.48 -4.86 117.98 118.85 3cd7 s PHE 551 Ca 0.04 -0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.09 3cd7 s PHE 551 Cb -0.13 -1.44 0.06 0.00 0.51 0.00 0.00 43.02 42.02 3cd7 s PHE 551 CO -0.05 0.27 0.04 -0.65 0.70 0.00 0.00 175.22 175.52 3cd7 s GLN 552 N -1.53 2.35 -0.30 0.44 -1.52 -1.26 -0.42 119.66 117.42 3cd7 s GLN 552 Ca 0.15 -1.36 -0.17 0.00 -1.95 0.00 0.00 55.36 52.03 3cd7 s GLN 552 Cb -0.10 -3.26 -0.02 0.00 -0.22 0.00 0.00 33.01 29.40 3cd7 s GLN 552 CO 0.06 -0.70 0.46 0.08 -0.25 0.00 0.00 175.29 174.93 3cd7 s VAL 553 N 1.24 5.09 0.17 1.09 1.01 -0.58 -4.57 120.40 123.86 3cd7 s VAL 553 Ca -0.02 0.53 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 3cd7 s VAL 553 Cb -0.20 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 3cd7 s VAL 553 CO -0.01 -0.01 1.13 -2.16 0.00 0.00 0.00 175.10 174.04 3cd7 s PRO 554 N 2.24 4.56 -0.20 2.72 0.04 -1.26 -1.97 135.00 141.12 3cd7 s PRO 554 Ca 0.18 1.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.94 3cd7 s PRO 554 Cb -0.16 -3.27 0.06 0.00 0.04 0.00 0.00 34.50 31.18 3cd7 s PRO 554 CO 0.11 0.02 0.06 -1.64 0.04 0.00 0.00 177.00 175.59 3cd7 s MET 555 N -0.26 0.50 -0.42 4.56 -1.94 -0.53 -4.22 119.30 116.99 3cd7 s MET 555 Ca 0.51 -0.40 -0.21 0.00 -1.71 0.00 0.00 55.69 53.88 3cd7 s MET 555 Cb -0.30 -1.99 0.02 0.00 2.01 0.00 0.00 34.83 34.57 3cd7 s MET 555 CO 0.35 -0.69 0.66 0.00 -0.01 0.00 0.00 175.02 175.33 3cd7 s ALA 556 N 1.92 3.36 0.15 3.03 0.00 -0.48 -1.41 121.76 128.34 3cd7 s ALA 556 Ca 0.01 -1.10 -0.20 0.00 0.00 0.00 0.00 51.96 50.67 3cd7 s ALA 556 Cb -0.17 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 19.70 3cd7 s ALA 556 CO -0.11 -1.71 0.51 -0.08 0.00 0.00 0.00 175.76 174.38 3cd7 s THR 557 N 2.87 0.03 -0.16 0.00 -1.32 -0.64 -4.26 115.64 112.17 3cd7 s THR 557 Ca 0.24 -0.32 0.05 0.00 -1.21 0.00 0.00 61.69 60.45 3cd7 s THR 557 Cb -0.14 -1.14 0.10 0.00 -1.51 0.00 0.00 72.50 69.81 3cd7 s THR 557 CO 0.19 -0.14 1.07 0.35 -2.21 0.00 0.00 174.62 173.88 3cd7 n THR 558 N -0.32 1.16 -2.99 5.08 -2.24 -1.26 -4.25 114.28 109.47 3cd7 n THR 558 Ca -0.16 -1.20 -0.41 0.00 -2.27 0.00 0.00 64.05 60.02 3cd7 n THR 558 Cb 0.64 0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 69.20 3cd7 n THR 558 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3cd7 s GLU 559 N -1.31 4.25 0.39 -0.78 2.12 -1.26 -5.03 118.70 117.08 3cd7 s GLU 559 Ca 0.09 0.84 -0.27 0.00 0.36 0.00 0.00 54.97 55.98 3cd7 s GLU 559 Cb 0.07 -3.58 -0.10 0.00 0.26 0.00 0.00 34.13 30.77 3cd7 s GLU 559 CO 0.03 -0.31 1.44 0.20 -0.54 0.00 0.00 175.26 176.08 3cd7 s GLY 560 N 1.20 2.95 0.00 -1.50 0.00 -1.26 -3.13 107.32 105.57 3cd7 s GLY 560 Ca 0.34 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.55 3cd7 s GLY 560 CO 0.11 2.15 0.00 0.00 0.00 0.00 0.00 173.10 175.36 3cd7 h LEU 562 N 0.00 -0.16 -0.55 0.00 5.85 -1.98 -0.76 115.31 117.71 3cd7 h LEU 562 Ca 0.00 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3cd7 h LEU 562 Cb 0.00 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3cd7 h LEU 562 CO 0.00 0.09 0.30 0.58 -0.34 0.00 0.00 178.44 179.07 3cd7 h VAL 563 N -0.41 1.18 -0.42 1.05 2.07 -1.90 -1.20 116.25 116.63 3cd7 h VAL 563 Ca -0.02 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3cd7 h VAL 563 Cb 0.33 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3cd7 h VAL 563 CO 0.03 0.20 0.28 0.00 0.02 0.00 0.00 177.57 178.10 3cd7 h ALA 564 N 1.13 0.53 -0.19 1.67 0.00 -1.92 -0.66 119.26 119.82 3cd7 h ALA 564 Ca 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3cd7 h ALA 564 Cb 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3cd7 h ALA 564 CO -0.03 -0.02 0.04 1.03 0.00 0.00 0.00 179.25 180.27 3cd7 h SER 565 N 0.56 0.30 -0.93 0.00 0.87 -0.87 -1.91 113.55 111.58 3cd7 h SER 565 Ca 0.15 -0.25 0.07 0.00 -1.23 0.00 0.00 61.79 60.53 3cd7 h SER 565 Cb -0.06 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 61.76 3cd7 h SER 565 CO -0.04 0.47 0.60 0.74 -0.53 0.00 0.00 176.83 178.08 3cd7 h THR 566 N 0.12 1.07 -0.74 2.23 2.02 -1.09 -1.92 112.91 114.61 3cd7 h THR 566 Ca 0.06 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 3cd7 h THR 566 Cb 0.30 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.58 3cd7 h THR 566 CO 0.00 0.19 0.46 -1.13 0.37 0.00 0.00 175.52 175.41 3cd7 h ASN 567 N 1.06 0.88 0.10 4.18 -1.24 -0.76 -1.08 115.58 118.72 3cd7 h ASN 567 Ca 0.40 -0.05 -0.07 0.00 0.71 0.00 0.00 56.30 57.28 3cd7 h ASN 567 Cb 0.19 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 3cd7 h ASN 567 CO -0.15 0.67 -0.25 -0.09 -1.29 0.00 0.00 177.43 176.32 3cd7 h ARG 568 N 1.01 0.26 -0.54 6.67 2.43 -0.63 -2.04 114.38 121.53 3cd7 h ARG 568 Ca 0.27 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 3cd7 h ARG 568 Cb -0.06 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3cd7 h ARG 568 CO -0.05 0.49 0.00 0.78 -1.51 0.00 0.00 179.97 179.68 3cd7 h GLY 569 N 0.96 1.04 1.15 2.80 0.00 -0.69 -2.53 103.07 105.80 3cd7 h GLY 569 Ca 0.04 -0.76 -0.02 0.00 0.00 0.00 0.00 47.33 46.59 3cd7 h GLY 569 CO 0.04 0.70 0.42 0.00 0.00 0.00 0.00 176.54 177.70 3cd7 h ARG 571 N 1.11 0.88 -0.28 0.00 9.65 -1.14 -1.38 114.38 123.22 3cd7 h ARG 571 Ca 0.28 -0.32 -0.15 0.00 -1.10 0.00 0.00 59.98 58.68 3cd7 h ARG 571 Cb 0.05 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 3cd7 h ARG 571 CO -0.04 0.96 -0.45 0.00 2.80 0.00 0.00 179.97 183.24 3cd7 h ALA 572 N 1.06 0.69 -0.25 2.80 0.00 -1.34 -2.47 119.26 119.74 3cd7 h ALA 572 Ca 0.12 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3cd7 h ALA 572 Cb 0.66 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3cd7 h ALA 572 CO 0.05 0.67 0.08 0.82 0.00 0.00 0.00 179.25 180.86 3cd7 h ILE 573 N 0.57 1.20 -1.00 0.00 2.04 -1.18 -2.00 117.51 117.15 3cd7 h ILE 573 Ca 0.04 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.30 3cd7 h ILE 573 Cb 1.00 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 38.16 3cd7 h ILE 573 CO 0.09 0.20 0.66 1.23 0.00 0.00 0.00 178.15 180.33 3cd7 h GLY 574 N 0.24 1.44 1.99 5.37 0.00 -1.24 -0.31 103.07 110.57 3cd7 h GLY 574 Ca 0.08 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3cd7 h GLY 574 CO -0.00 0.45 0.00 1.04 0.00 0.00 0.00 176.54 178.03 3cd7 n LEU 575 N -4.43 0.00 -1.43 3.11 4.77 -0.93 -2.72 117.00 115.37 3cd7 n LEU 575 Ca 0.13 0.49 0.01 0.00 -0.03 0.00 0.00 56.01 56.62 3cd7 n LEU 575 Cb 0.08 -0.49 0.28 0.00 -2.33 0.00 0.00 43.42 40.95 3cd7 n LEU 575 CO 0.35 -0.07 0.84 0.61 -1.33 0.00 0.00 177.39 177.80 3cd7 n GLY 576 N 1.09 3.96 1.81 -0.72 0.00 -0.70 -4.83 105.19 105.81 3cd7 n GLY 576 Ca 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3cd7 n GLY 576 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd7 n GLY 577 N -0.39 0.78 0.00 -0.02 0.00 -1.10 -4.54 105.19 99.92 3cd7 n GLY 577 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3cd7 n GLY 577 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd7 n GLY 578 N -2.20 -0.22 3.75 -0.02 0.00 -0.21 -5.00 105.19 101.29 3cd7 n GLY 578 Ca 0.00 -1.82 -0.23 0.00 0.00 0.00 0.00 46.02 43.96 3cd7 n GLY 578 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cd7 s ALA 579 N -1.49 3.59 0.01 4.61 0.00 -0.21 -4.58 121.76 123.68 3cd7 s ALA 579 Ca 0.00 -1.92 0.02 0.00 0.00 0.00 0.00 51.96 50.07 3cd7 s ALA 579 Cb 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 3cd7 s ALA 579 CO 0.00 -0.05 -0.07 -1.12 0.00 0.00 0.00 175.76 174.52 3cd7 s SER 580 N -3.89 0.82 0.03 0.00 0.01 -0.40 -1.90 113.70 108.36 3cd7 s SER 580 Ca 0.40 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.44 3cd7 s SER 580 Cb -0.01 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.14 3cd7 s SER 580 CO 0.23 0.02 -0.04 -0.94 0.41 0.00 0.00 173.24 172.92 3cd7 s SER 581 N -0.50 0.42 -0.02 2.44 1.04 -1.26 -1.35 113.70 114.48 3cd7 s SER 581 Ca -0.00 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.80 3cd7 s SER 581 Cb -0.04 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.20 3cd7 s SER 581 CO -0.00 -0.35 -0.00 -0.13 0.98 0.00 0.00 173.24 173.73 3cd7 s ARG 582 N -2.09 0.20 -0.22 4.02 1.81 -0.62 -5.00 118.95 117.05 3cd7 s ARG 582 Ca -0.09 0.03 -0.29 0.00 -1.72 0.00 0.00 55.73 53.65 3cd7 s ARG 582 Cb -0.06 -0.32 0.00 0.00 -0.45 0.00 0.00 34.95 34.13 3cd7 s ARG 582 CO -0.03 -0.06 1.15 0.08 -0.68 0.00 0.00 175.30 175.76 3cd7 s VAL 583 N 0.58 4.46 -0.07 3.52 1.01 -1.26 -1.66 120.40 126.97 3cd7 s VAL 583 Ca -0.05 1.75 0.14 0.00 0.00 0.00 0.00 61.98 63.82 3cd7 s VAL 583 Cb -0.08 -4.19 -0.18 0.00 0.00 0.00 0.00 36.38 31.92 3cd7 s VAL 583 CO -0.01 -0.22 0.76 -0.07 0.00 0.00 0.00 175.10 175.56 3cd7 h LEU 584 N 9.75 0.00 -7.49 3.92 3.38 -0.89 -3.49 115.31 120.49 3cd7 h LEU 584 Ca -0.23 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.76 3cd7 h LEU 584 Cb 1.08 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.74 3cd7 h LEU 584 CO 0.99 0.81 0.20 0.00 0.09 0.00 0.00 178.44 180.53 3cd7 s ALA 585 N -2.74 -1.38 -0.30 1.53 0.00 -1.21 -4.97 121.76 112.69 3cd7 s ALA 585 Ca -0.04 0.08 -0.07 0.00 0.00 0.00 0.00 51.96 51.93 3cd7 s ALA 585 Cb 0.08 0.87 0.15 0.00 0.00 0.00 0.00 23.12 24.22 3cd7 s ALA 585 CO 0.82 -0.89 0.63 0.34 0.00 0.00 0.00 175.76 176.66 3cd7 s ASP 586 N -2.83 -1.21 0.00 0.00 2.15 -1.25 -1.73 116.67 111.79 3cd7 s ASP 586 Ca 0.06 1.35 0.00 0.00 0.43 0.00 0.00 52.55 54.39 3cd7 s ASP 586 Cb -0.03 2.25 0.00 0.00 -0.30 0.00 0.00 42.92 44.84 3cd7 s ASP 586 CO -0.03 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 3cd7 n GLY 587 N 5.44 2.23 3.82 2.66 0.00 -0.44 -4.41 105.19 114.51 3cd7 n GLY 587 Ca -0.08 0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3cd7 n GLY 587 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3cd7 s MET 588 N 0.00 3.52 0.16 1.61 1.75 -0.47 -1.77 119.30 124.11 3cd7 s MET 588 Ca 0.00 1.05 0.05 0.00 -1.25 0.00 0.00 55.69 55.54 3cd7 s MET 588 Cb 0.00 -2.07 -0.04 0.00 2.84 0.00 0.00 34.83 35.56 3cd7 s MET 588 CO 0.00 -0.64 -0.11 0.95 -0.65 0.00 0.00 175.02 174.57 3cd7 s THR 589 N -2.65 1.34 -0.08 10.11 -4.23 -1.26 -2.17 115.64 116.71 3cd7 s THR 589 Ca 0.60 -2.10 -0.04 0.00 -1.18 0.00 0.00 61.69 58.97 3cd7 s THR 589 Cb -0.13 -1.90 0.04 0.00 1.34 0.00 0.00 72.50 71.84 3cd7 s THR 589 CO 0.39 -0.70 0.18 -0.60 -0.54 0.00 0.00 174.62 173.35 3cd7 s ARG 590 N -3.71 0.16 -0.57 3.99 6.06 -0.64 -4.92 118.95 119.32 3cd7 s ARG 590 Ca 0.18 0.38 0.07 0.00 -2.50 0.00 0.00 55.73 53.86 3cd7 s ARG 590 Cb 0.01 -0.09 0.25 0.00 0.06 0.00 0.00 34.95 35.18 3cd7 s ARG 590 CO 0.02 -0.13 0.67 0.41 -2.50 0.00 0.00 175.30 173.78 3cd7 n GLY 591 N 3.89 4.19 3.72 8.12 0.00 -1.26 -1.38 105.19 122.47 3cd7 n GLY 591 Ca -0.22 -2.40 -0.33 0.00 0.00 0.00 0.00 46.02 43.06 3cd7 n GLY 591 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cd7 s PRO 592 N -2.04 1.97 -0.22 1.61 0.04 -1.16 -0.22 135.00 134.98 3cd7 s PRO 592 Ca 0.38 1.64 -0.05 0.00 0.04 0.00 0.00 61.00 63.01 3cd7 s PRO 592 Cb 0.15 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.85 3cd7 s PRO 592 CO -0.05 -1.94 -0.01 0.54 0.04 0.00 0.00 177.00 175.59 3cd7 s VAL 593 N -2.22 3.73 0.30 -0.36 0.11 -0.85 -2.17 120.40 118.93 3cd7 s VAL 593 Ca 0.71 -0.38 0.09 0.00 -2.93 0.00 0.00 61.98 59.47 3cd7 s VAL 593 Cb -0.26 -2.71 -0.04 0.00 -1.53 0.00 0.00 36.38 31.84 3cd7 s VAL 593 CO 0.48 0.40 0.09 0.68 -3.33 0.00 0.00 175.10 173.43 3cd7 s VAL 594 N 1.40 3.34 -0.05 2.04 -7.23 -0.32 -2.32 120.40 117.27 3cd7 s VAL 594 Ca 0.05 -1.74 0.01 0.00 -1.81 0.00 0.00 61.98 58.49 3cd7 s VAL 594 Cb -0.15 -2.97 0.02 0.00 0.56 0.00 0.00 36.38 33.84 3cd7 s VAL 594 CO -0.00 -0.27 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.32 3cd7 s ARG 595 N -3.78 1.05 0.31 4.82 1.81 0.22 -1.21 118.95 122.17 3cd7 s ARG 595 Ca 0.35 -0.18 0.07 0.00 -1.72 0.00 0.00 55.73 54.25 3cd7 s ARG 595 Cb -0.05 -0.99 -0.03 0.00 -0.45 0.00 0.00 34.95 33.43 3cd7 s ARG 595 CO 0.22 -0.06 0.27 -0.51 -0.68 0.00 0.00 175.30 174.54 3cd7 s LEU 596 N 0.87 3.68 0.37 2.53 2.01 -0.83 -0.82 118.68 126.49 3cd7 s LEU 596 Ca -0.12 -0.41 0.07 0.00 0.01 0.00 0.00 54.13 53.68 3cd7 s LEU 596 Cb -0.15 -2.27 0.78 0.00 0.01 0.00 0.00 46.19 44.56 3cd7 s LEU 596 CO 0.01 -0.25 1.95 -0.65 1.01 0.00 0.00 176.35 178.42 3cd7 h PRO 597 N 1.32 0.70 -4.55 1.29 0.11 -1.89 -3.44 132.00 125.54 3cd7 h PRO 597 Ca -0.46 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 65.37 3cd7 h PRO 597 Cb 1.25 -0.16 -0.18 0.00 0.11 0.00 0.00 31.00 32.02 3cd7 h PRO 597 CO 0.59 0.46 -0.71 1.03 -0.21 0.00 0.00 178.00 179.16 3cd7 s ARG 598 N -5.65 0.65 0.34 1.05 0.52 -1.26 -4.97 118.95 109.63 3cd7 s ARG 598 Ca -0.10 -1.02 0.09 0.00 -0.52 0.00 0.00 55.73 54.18 3cd7 s ARG 598 Cb 0.20 -0.20 0.83 0.00 0.52 0.00 0.00 34.95 36.30 3cd7 s ARG 598 CO 0.77 0.00 1.81 0.00 0.02 0.00 0.00 175.30 177.91 3cd7 h ALA 599 N 3.77 1.83 -0.84 2.13 0.00 -1.86 -1.12 119.26 123.18 3cd7 h ALA 599 Ca -0.35 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3cd7 h ALA 599 Cb 1.18 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3cd7 h ALA 599 CO 0.52 -0.16 0.48 0.00 0.00 0.00 0.00 179.25 180.10 3cd7 h ASP 601 N 1.16 0.95 -0.38 0.00 3.32 -1.77 -1.59 116.42 118.11 3cd7 h ASP 601 Ca 0.30 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 3cd7 h ASP 601 Cb -0.01 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 3cd7 h ASP 601 CO -0.05 1.10 0.01 0.77 -1.72 0.00 0.00 179.24 179.35 3cd7 h SER 602 N 0.82 0.72 -0.58 6.45 4.64 -0.68 -2.19 113.55 122.74 3cd7 h SER 602 Ca 0.12 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 3cd7 h SER 602 Cb 0.73 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 3cd7 h SER 602 CO 0.06 0.79 0.22 0.00 -0.87 0.00 0.00 176.83 177.02 3cd7 h ALA 603 N 1.30 1.23 -0.41 5.18 0.00 -0.48 -2.32 119.26 123.76 3cd7 h ALA 603 Ca 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3cd7 h ALA 603 Cb 0.43 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3cd7 h ALA 603 CO 0.02 0.55 0.21 1.49 0.00 0.00 0.00 179.25 181.52 3cd7 h GLU 604 N 0.89 0.58 -0.37 0.00 4.81 -0.70 -1.88 114.58 117.91 3cd7 h GLU 604 Ca 0.21 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 3cd7 h GLU 604 Cb 0.21 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3cd7 h GLU 604 CO -0.01 0.49 -0.07 0.28 -0.73 0.00 0.00 179.01 178.96 3cd7 h VAL 605 N 0.53 1.23 -0.39 0.32 2.07 -1.20 -1.51 116.25 117.31 3cd7 h VAL 605 Ca 0.14 -1.01 -0.15 0.00 0.82 0.00 0.00 66.70 66.51 3cd7 h VAL 605 Cb 0.08 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3cd7 h VAL 605 CO -0.02 0.34 -0.35 0.50 0.02 0.00 0.00 177.57 178.06 3cd7 h LYS 606 N 0.58 0.93 -0.50 1.57 3.64 -1.13 -1.06 116.57 120.59 3cd7 h LYS 606 Ca 0.11 -0.47 -0.08 0.00 -1.27 0.00 0.00 60.65 58.94 3cd7 h LYS 606 Cb 0.47 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 3cd7 h LYS 606 CO 0.03 1.13 0.01 0.00 -2.27 0.00 0.00 179.45 178.34 3cd7 h ALA 607 N 0.78 1.07 -0.30 5.00 0.00 -1.15 -2.47 119.26 122.19 3cd7 h ALA 607 Ca 0.07 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 3cd7 h ALA 607 Cb 0.94 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3cd7 h ALA 607 CO 0.09 0.59 -0.25 2.35 0.00 0.00 0.00 179.25 182.03 3cd7 h TRP 608 N 0.78 0.82 0.00 0.00 7.01 -1.09 -2.55 115.95 120.91 3cd7 h TRP 608 Ca 0.15 -0.23 -0.02 0.00 2.11 0.00 0.00 58.89 60.90 3cd7 h TRP 608 Cb 0.46 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.34 3cd7 h TRP 608 CO 0.03 0.97 -0.10 -0.07 -2.79 0.00 0.00 178.44 176.48 3cd7 h LEU 609 N 0.44 0.00 0.00 0.65 3.38 -1.14 -2.47 115.31 116.17 3cd7 h LEU 609 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3cd7 h LEU 609 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3cd7 h LEU 609 CO 0.06 0.10 -0.46 -0.33 0.09 0.00 0.00 178.44 177.90 3cd7 h GLU 610 N 0.00 0.00 -6.90 1.13 5.08 -1.15 -3.34 114.58 109.40 3cd7 h GLU 610 Ca -0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 3cd7 h GLU 610 Cb 0.30 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.60 3cd7 h GLU 610 CO 0.01 0.00 0.53 0.95 -1.00 0.00 0.00 179.01 179.51 3cd7 s THR 611 N -3.21 3.09 0.54 1.13 -4.23 -0.93 -4.93 115.64 107.10 3cd7 s THR 611 Ca 0.06 0.99 0.21 0.00 -1.18 0.00 0.00 61.69 61.77 3cd7 s THR 611 Cb 0.10 -3.59 0.32 0.00 1.34 0.00 0.00 72.50 70.67 3cd7 s THR 611 CO 0.70 0.16 2.13 0.77 -0.54 0.00 0.00 174.62 177.84 3cd7 h SER 612 N 3.03 0.00 0.52 3.99 4.64 -1.88 -1.15 113.55 122.71 3cd7 h SER 612 Ca -0.48 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.54 3cd7 h SER 612 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3cd7 h SER 612 CO 0.64 0.00 -1.43 1.05 -0.87 0.00 0.00 176.83 176.22 3cd7 h GLU 613 N 0.00 0.25 -0.42 4.77 9.09 -1.91 -2.28 114.58 124.07 3cd7 h GLU 613 Ca 0.06 -0.43 -0.02 0.00 0.05 0.00 0.00 59.36 59.02 3cd7 h GLU 613 Cb 0.26 0.16 -0.02 0.00 -1.65 0.00 0.00 28.75 27.50 3cd7 h GLU 613 CO -0.00 1.14 0.17 0.78 0.05 0.00 0.00 179.01 181.15 3cd7 h GLY 614 N 1.70 0.68 1.05 1.06 0.00 -1.60 -2.74 103.07 103.21 3cd7 h GLY 614 Ca -0.20 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 3cd7 h GLY 614 CO 0.17 0.35 0.30 -2.75 0.00 0.00 0.00 176.54 174.61 3cd7 h PHE 615 N 0.54 1.19 -0.45 5.60 3.57 -1.25 -2.42 116.94 123.72 3cd7 h PHE 615 Ca 0.14 -0.10 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 3cd7 h PHE 615 Cb 0.19 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 3cd7 h PHE 615 CO 0.00 0.91 -0.13 0.00 -2.23 0.00 0.00 178.31 176.86 3cd7 h ALA 616 N 1.15 0.92 -0.58 2.41 0.00 -1.37 0.46 119.26 122.26 3cd7 h ALA 616 Ca 0.26 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3cd7 h ALA 616 Cb 0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3cd7 h ALA 616 CO -0.02 0.62 0.21 0.28 0.00 0.00 0.00 179.25 180.35 3cd7 h VAL 617 N 0.74 1.23 -0.22 0.00 2.07 -1.31 -0.03 116.25 118.73 3cd7 h VAL 617 Ca 0.12 -0.74 -0.15 0.00 0.82 0.00 0.00 66.70 66.75 3cd7 h VAL 617 Cb 0.64 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3cd7 h VAL 617 CO 0.04 0.28 -0.48 0.40 0.02 0.00 0.00 177.57 177.83 3cd7 h ILE 618 N 0.80 1.31 -0.42 4.57 1.08 -1.11 -2.88 117.51 120.85 3cd7 h ILE 618 Ca 0.19 -1.70 -0.10 0.00 -0.39 0.00 0.00 64.86 62.86 3cd7 h ILE 618 Cb 0.23 1.66 -0.02 0.00 -3.07 0.00 0.00 36.82 35.62 3cd7 h ILE 618 CO -0.01 0.53 -0.16 0.50 -0.69 0.00 0.00 178.15 178.32 3cd7 h LYS 619 N 0.47 0.79 -0.29 2.37 3.64 0.22 -1.60 116.57 122.17 3cd7 h LYS 619 Ca 0.02 -0.29 -0.18 0.00 -1.27 0.00 0.00 60.65 58.94 3cd7 h LYS 619 Cb 1.02 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3cd7 h LYS 619 CO 0.09 0.90 -0.52 1.49 -2.27 0.00 0.00 179.45 179.14 3cd7 h GLU 620 N 0.70 0.86 -0.05 1.90 4.81 -1.01 -0.06 114.58 121.73 3cd7 h GLU 620 Ca 0.11 -0.54 -0.07 0.00 -0.13 0.00 0.00 59.36 58.73 3cd7 h GLU 620 Cb 0.66 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 3cd7 h GLU 620 CO 0.05 1.18 -0.27 0.00 -0.73 0.00 0.00 179.01 179.23 3cd7 h ALA 621 N 0.68 1.45 0.01 2.92 0.00 -1.40 -2.31 119.26 120.60 3cd7 h ALA 621 Ca 0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3cd7 h ALA 621 Cb 1.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3cd7 h ALA 621 CO 0.12 0.40 -0.13 0.35 0.00 0.00 0.00 179.25 179.99 3cd7 h PHE 622 N 0.09 0.12 0.00 0.00 3.57 -1.10 -3.31 116.94 116.31 3cd7 h PHE 622 Ca 0.01 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.44 3cd7 h PHE 622 Cb 0.53 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.26 3cd7 h PHE 622 CO 0.00 0.91 0.00 -0.44 -2.23 0.00 0.00 178.31 176.55 3cd7 h ASP 623 N -0.71 0.00 0.91 0.41 5.19 -0.99 -3.09 116.42 118.14 3cd7 h ASP 623 Ca -0.02 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.35 3cd7 h ASP 623 Cb 0.95 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.46 3cd7 h ASP 623 CO 0.03 0.00 -0.19 0.77 -3.12 0.00 0.00 179.24 176.72 3cd7 h SER 624 N 0.00 0.00 1.75 6.45 4.64 -1.50 -3.26 113.55 121.63 3cd7 h SER 624 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cd7 h SER 624 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3cd7 h SER 624 CO 0.00 0.19 0.00 0.71 -0.87 0.00 0.00 176.83 176.86 3cd7 h THR 625 N 0.00 0.00 -2.03 2.95 1.35 -1.73 -3.47 112.91 109.98 3cd7 h THR 625 Ca -0.00 -0.86 -0.03 0.00 -0.55 0.00 0.00 66.41 64.96 3cd7 h THR 625 Cb 0.70 1.86 -0.19 0.00 -1.73 0.00 0.00 68.15 68.79 3cd7 h THR 625 CO 0.03 0.00 0.25 -0.55 -0.25 0.00 0.00 175.52 174.99 3cd7 s SER 626 N -5.98 -0.61 0.29 5.36 0.15 -1.23 -4.98 113.70 106.70 3cd7 s SER 626 Ca 0.06 0.60 0.10 0.00 0.70 0.00 0.00 55.95 57.41 3cd7 s SER 626 Cb 0.06 0.51 0.44 0.00 -1.71 0.00 0.00 66.02 65.32 3cd7 s SER 626 CO 0.64 -0.61 1.66 0.08 1.20 0.00 0.00 173.24 176.21 3cd7 h ARG 627 N 2.83 0.06 0.00 5.44 0.11 -1.90 -2.83 114.38 118.09 3cd7 h ARG 627 Ca -0.26 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.78 3cd7 h ARG 627 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 3cd7 h ARG 627 CO 0.38 0.58 -0.15 0.74 0.10 0.00 0.00 179.97 181.62 3cd7 h PHE 628 N 0.05 0.00 -2.30 4.08 -1.00 -1.92 -3.45 116.94 112.40 3cd7 h PHE 628 Ca -0.00 0.00 -0.54 0.00 2.81 0.00 0.00 57.97 60.24 3cd7 h PHE 628 Cb 0.97 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.50 3cd7 h PHE 628 CO 0.00 0.00 1.34 0.00 -1.61 0.00 0.00 178.31 178.04 3cd7 s ALA 629 N -3.13 2.48 -0.38 2.45 0.00 -1.07 -4.38 121.76 117.73 3cd7 s ALA 629 Ca 0.09 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.92 3cd7 s ALA 629 Cb 0.12 -4.16 0.12 0.00 0.00 0.00 0.00 23.12 19.20 3cd7 s ALA 629 CO 0.63 -3.30 0.18 0.50 0.00 0.00 0.00 175.76 173.78 3cd7 s ARG 630 N 6.43 0.94 0.01 0.00 3.52 -1.26 -4.38 118.95 124.22 3cd7 s ARG 630 Ca 0.76 -1.54 -0.30 0.00 -0.13 0.00 0.00 55.73 54.52 3cd7 s ARG 630 Cb -0.18 -2.01 -0.06 0.00 -1.56 0.00 0.00 34.95 31.13 3cd7 s ARG 630 CO 0.28 -1.11 1.54 -1.17 -0.81 0.00 0.00 175.30 174.03 3cd7 s LEU 631 N 0.95 4.33 0.00 -0.88 2.96 -1.26 -4.28 118.68 120.50 3cd7 s LEU 631 Ca 0.15 2.27 -0.02 0.00 -0.22 0.00 0.00 54.13 56.30 3cd7 s LEU 631 Cb -0.22 -3.56 0.07 0.00 0.50 0.00 0.00 46.19 42.98 3cd7 s LEU 631 CO -0.09 -0.82 0.42 0.00 -1.32 0.00 0.00 176.35 174.54 3cd7 n GLN 632 N 5.81 0.03 -1.81 1.98 6.02 -0.50 -5.01 117.38 123.90 3cd7 n GLN 632 Ca 0.15 -0.92 -0.42 0.00 -0.01 0.00 0.00 57.00 55.80 3cd7 n GLN 632 Cb 0.42 -0.35 -0.03 0.00 1.02 0.00 0.00 30.24 31.31 3cd7 n GLN 632 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3cd7 s LYS 633 N -3.66 4.15 0.23 -1.09 1.02 -1.26 -4.73 119.74 114.40 3cd7 s LYS 633 Ca 0.26 2.52 -0.30 0.00 0.02 0.00 0.00 55.97 58.47 3cd7 s LYS 633 Cb -0.01 -3.08 -0.09 0.00 -0.52 0.00 0.00 37.83 34.13 3cd7 s LYS 633 CO 0.18 -0.66 1.13 -1.17 -0.92 0.00 0.00 175.35 173.90 3cd7 s LEU 634 N 0.53 4.51 -0.15 3.17 2.96 -1.26 -4.78 118.68 123.66 3cd7 s LEU 634 Ca 0.69 2.22 0.01 0.00 -0.22 0.00 0.00 54.13 56.83 3cd7 s LEU 634 Cb -0.47 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 42.61 3cd7 s LEU 634 CO 0.38 -0.22 -0.19 -2.28 -1.32 0.00 0.00 176.35 172.72 3cd7 s HIS 635 N -0.65 2.73 0.14 5.38 5.65 -1.16 -5.02 115.29 122.36 3cd7 s HIS 635 Ca 0.48 -1.22 0.08 0.00 0.25 0.00 0.00 55.06 54.64 3cd7 s HIS 635 Cb -0.32 -1.86 -0.04 0.00 -1.18 0.00 0.00 32.58 29.19 3cd7 s HIS 635 CO 0.39 -0.56 -0.17 0.95 -0.65 0.00 0.00 174.74 174.69 3cd7 s THR 636 N 0.86 1.63 -0.08 0.89 -4.23 -1.26 -0.54 115.64 112.90 3cd7 s THR 636 Ca -0.05 -1.77 -0.05 0.00 -1.18 0.00 0.00 61.69 58.64 3cd7 s THR 636 Cb -0.15 -1.67 0.03 0.00 1.34 0.00 0.00 72.50 72.05 3cd7 s THR 636 CO -0.02 -0.29 0.20 -0.55 -0.54 0.00 0.00 174.62 173.42 3cd7 s SER 637 N -2.43 -0.20 -0.03 3.99 0.15 -0.55 -5.00 113.70 109.63 3cd7 s SER 637 Ca 0.11 0.42 -0.03 0.00 0.70 0.00 0.00 55.95 57.15 3cd7 s SER 637 Cb -0.06 0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 64.55 3cd7 s SER 637 CO 0.05 -0.13 0.12 -0.63 1.20 0.00 0.00 173.24 173.85 3cd7 s ILE 638 N 0.85 5.07 -0.35 6.45 1.01 -1.26 -0.88 121.20 132.09 3cd7 s ILE 638 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.40 3cd7 s ILE 638 Cb -0.08 -3.30 0.14 0.00 0.01 0.00 0.00 42.46 39.23 3cd7 s ILE 638 CO -0.05 0.41 0.24 0.00 0.00 0.00 0.00 174.94 175.54 3cd7 s ALA 639 N -1.18 0.61 0.00 9.38 0.00 -0.43 -5.00 121.76 125.13 3cd7 s ALA 639 Ca 0.22 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.57 3cd7 s ALA 639 Cb -0.12 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.32 3cd7 s ALA 639 CO 0.13 -2.08 0.00 0.41 0.00 0.00 0.00 175.76 174.21 3cd7 n GLY 640 N 4.18 2.61 0.08 0.00 0.00 -1.26 -1.65 105.19 109.15 3cd7 n GLY 640 Ca 0.11 -0.29 0.15 0.00 0.00 0.00 0.00 46.02 45.99 3cd7 n GLY 640 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3cd7 n ARG 641 N 13.41 1.02 -2.57 1.61 1.85 -1.26 -4.32 116.66 126.39 3cd7 n ARG 641 Ca 0.00 -0.17 -0.41 0.00 -1.00 0.00 0.00 57.85 56.27 3cd7 n ARG 641 Cb 0.00 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 29.88 3cd7 n ARG 641 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 3cd7 s ASN 642 N -2.10 7.29 -0.13 2.89 -0.87 -0.66 -1.96 114.94 119.40 3cd7 s ASN 642 Ca 0.43 1.93 0.02 0.00 -1.57 0.00 0.00 52.86 53.67 3cd7 s ASN 642 Cb 0.22 -2.59 0.00 0.00 -0.02 0.00 0.00 41.25 38.86 3cd7 s ASN 642 CO 0.38 -0.25 -0.20 -0.22 -2.57 0.00 0.00 177.10 174.24 3cd7 s LEU 643 N 0.28 2.26 -0.20 0.60 2.96 -0.35 -1.32 118.68 122.92 3cd7 s LEU 643 Ca 0.51 -0.53 -0.07 0.00 -0.22 0.00 0.00 54.13 53.82 3cd7 s LEU 643 Cb -0.27 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3cd7 s LEU 643 CO 0.31 0.11 0.05 -0.31 -1.32 0.00 0.00 176.35 175.19 3cd7 s TYR 644 N 0.67 3.17 -0.21 5.38 1.51 -0.06 -1.17 117.35 126.64 3cd7 s TYR 644 Ca -0.10 -0.11 0.02 0.00 -1.01 0.00 0.00 57.07 55.87 3cd7 s TYR 644 Cb -0.16 -2.11 0.04 0.00 -0.11 0.00 0.00 41.96 39.62 3cd7 s TYR 644 CO 0.02 -0.02 -0.15 0.42 -1.11 0.00 0.00 175.55 174.71 3cd7 s ILE 645 N 0.74 2.03 -0.58 2.71 1.01 -0.92 -1.48 121.20 124.71 3cd7 s ILE 645 Ca 0.03 -1.20 -0.19 0.00 0.00 0.00 0.00 60.65 59.29 3cd7 s ILE 645 Cb -0.14 -1.99 0.10 0.00 0.01 0.00 0.00 42.46 40.45 3cd7 s ILE 645 CO 0.02 0.28 0.69 -0.60 0.00 0.00 0.00 174.94 175.33 3cd7 s ARG 646 N 1.24 3.05 0.02 2.79 3.52 0.30 -2.98 118.95 126.88 3cd7 s ARG 646 Ca -0.01 -1.27 -0.25 0.00 -0.13 0.00 0.00 55.73 54.07 3cd7 s ARG 646 Cb -0.16 -4.25 -0.05 0.00 -1.56 0.00 0.00 34.95 28.93 3cd7 s ARG 646 CO -0.09 -1.50 0.76 -0.06 -0.81 0.00 0.00 175.30 173.59 3cd7 s PHE 647 N 2.66 3.70 -0.02 5.12 0.40 -0.48 -2.97 117.98 126.39 3cd7 s PHE 647 Ca 0.12 1.43 0.02 0.00 -0.60 0.00 0.00 56.93 57.89 3cd7 s PHE 647 Cb -0.24 -2.82 0.00 0.00 0.51 0.00 0.00 43.02 40.48 3cd7 s PHE 647 CO 0.07 0.22 -0.06 -1.14 0.70 0.00 0.00 175.22 175.01 3cd7 s GLN 648 N 0.18 0.65 0.07 0.44 0.74 -1.26 -1.63 119.66 118.85 3cd7 s GLN 648 Ca 0.39 -0.19 -0.26 0.00 0.05 0.00 0.00 55.36 55.34 3cd7 s GLN 648 Cb -0.20 -0.64 0.08 0.00 1.10 0.00 0.00 33.01 33.35 3cd7 s GLN 648 CO 0.22 0.07 0.67 0.45 -0.55 0.00 0.00 175.29 176.14 3cd7 s SER 649 N 0.22 -0.57 0.93 6.67 0.15 -0.92 -1.41 113.70 118.77 3cd7 s SER 649 Ca -0.03 0.22 -0.12 0.00 0.70 0.00 0.00 55.95 56.73 3cd7 s SER 649 Cb -0.07 0.55 0.15 0.00 -1.71 0.00 0.00 66.02 64.94 3cd7 s SER 649 CO -0.00 -0.81 1.09 -0.13 1.20 0.00 0.00 173.24 174.59 3cd7 s ARG 650 N -2.85 0.97 -0.06 5.44 0.52 -1.26 -1.36 118.95 120.34 3cd7 s ARG 650 Ca -0.02 0.85 0.17 0.00 -0.52 0.00 0.00 55.73 56.22 3cd7 s ARG 650 Cb -0.01 -1.77 0.32 0.00 0.52 0.00 0.00 34.95 34.01 3cd7 s ARG 650 CO -0.05 -2.45 1.14 -1.13 0.02 0.00 0.00 175.30 172.83 3cd7 n SER 651 N -4.03 0.33 0.00 0.23 3.41 -1.26 -4.42 113.62 107.88 3cd7 n SER 651 Ca 0.07 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 3cd7 n SER 651 Cb 0.55 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3cd7 n SER 651 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cd7 n GLY 652 N 0.04 2.86 0.00 5.00 0.00 -1.26 -2.65 105.19 109.19 3cd7 n GLY 652 Ca -0.05 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.81 3cd7 n GLY 652 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cd7 n ASP 653 N 4.71 0.78 -4.78 1.61 8.00 -1.26 -3.97 116.55 121.65 3cd7 n ASP 653 Ca 0.00 -0.66 -0.32 0.00 0.71 0.00 0.00 54.79 54.52 3cd7 n ASP 653 Cb 0.00 0.71 0.07 0.00 -0.02 0.00 0.00 41.12 41.88 3cd7 n ASP 653 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cd7 s ALA 654 N -3.01 2.39 0.23 2.24 0.00 -1.08 -1.06 121.76 121.46 3cd7 s ALA 654 Ca 0.09 0.34 -0.04 0.00 0.00 0.00 0.00 51.96 52.35 3cd7 s ALA 654 Cb 0.16 -3.27 0.24 0.00 0.00 0.00 0.00 23.12 20.25 3cd7 s ALA 654 CO 0.80 -1.51 1.68 1.98 0.00 0.00 0.00 175.76 178.71 3cd7 h MET 655 N -0.66 0.80 0.00 0.00 4.05 -1.73 -3.44 114.93 113.95 3cd7 h MET 655 Ca -0.45 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 58.70 3cd7 h MET 655 Cb 1.23 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 3cd7 h MET 655 CO 0.53 0.88 0.00 0.41 0.23 0.00 0.00 176.91 178.96 3cd7 n GLY 656 N -0.40 0.98 0.09 1.39 0.00 -1.26 -4.74 105.19 101.25 3cd7 n GLY 656 Ca 0.01 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 3cd7 n GLY 656 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3cd7 h MET 657 N 0.00 -0.08 -0.58 1.61 2.86 -1.95 -1.86 114.93 114.92 3cd7 h MET 657 Ca 0.00 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3cd7 h MET 657 Cb 0.01 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 3cd7 h MET 657 CO 0.00 0.44 0.19 -0.91 1.06 0.00 0.00 176.91 177.69 3cd7 h ASN 658 N -0.67 0.80 -0.09 1.22 2.35 -1.98 -0.59 115.58 116.61 3cd7 h ASN 658 Ca -0.01 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 3cd7 h ASN 658 Cb 0.56 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 3cd7 h ASN 658 CO 0.01 0.75 0.02 -0.03 -1.65 0.00 0.00 177.43 176.54 3cd7 h MET 659 N 0.85 0.15 -0.12 0.81 4.05 -1.99 -1.90 114.93 116.78 3cd7 h MET 659 Ca 0.19 -0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.49 3cd7 h MET 659 Cb 0.23 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 3cd7 h MET 659 CO -0.01 0.32 -0.33 0.82 0.23 0.00 0.00 176.91 177.94 3cd7 h ILE 660 N -0.05 1.27 -0.35 1.77 1.08 -1.16 -2.42 117.51 117.65 3cd7 h ILE 660 Ca 0.03 -1.31 -0.09 0.00 -0.39 0.00 0.00 64.86 63.10 3cd7 h ILE 660 Cb 0.24 1.55 -0.02 0.00 -3.07 0.00 0.00 36.82 35.53 3cd7 h ILE 660 CO 0.00 0.39 -0.17 0.28 -0.69 0.00 0.00 178.15 177.96 3cd7 h SER 661 N 0.20 0.63 0.27 1.72 0.02 -0.95 -0.91 113.55 114.53 3cd7 h SER 661 Ca 0.03 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 3cd7 h SER 661 Cb 0.68 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3cd7 h SER 661 CO 0.05 0.82 -0.13 0.50 -1.14 0.00 0.00 176.83 176.93 3cd7 h LYS 662 N 0.57 -0.35 -0.35 3.45 3.64 -1.01 -2.04 116.57 120.49 3cd7 h LYS 662 Ca 0.09 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3cd7 h LYS 662 Cb 0.62 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 3cd7 h LYS 662 CO 0.04 -0.03 0.22 0.78 -2.27 0.00 0.00 179.45 178.19 3cd7 h GLY 663 N -0.70 0.50 0.75 5.01 0.00 -1.42 -2.44 103.07 104.76 3cd7 h GLY 663 Ca -0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 3cd7 h GLY 663 CO 0.06 0.19 -0.08 -0.84 0.00 0.00 0.00 176.54 175.87 3cd7 h THR 664 N 0.48 1.31 -0.68 4.70 2.02 -1.13 -1.50 112.91 118.12 3cd7 h THR 664 Ca 0.13 -1.12 -0.04 0.00 0.77 0.00 0.00 66.41 66.14 3cd7 h THR 664 Cb -0.03 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 3cd7 h THR 664 CO -0.03 0.33 0.26 -0.33 0.37 0.00 0.00 175.52 176.13 3cd7 h GLU 665 N -0.01 1.00 -0.32 6.66 5.08 -0.99 0.14 114.58 126.15 3cd7 h GLU 665 Ca 0.03 -0.17 -0.16 0.00 -1.00 0.00 0.00 59.36 58.06 3cd7 h GLU 665 Cb 0.55 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3cd7 h GLU 665 CO 0.02 0.82 -0.45 -0.22 -1.00 0.00 0.00 179.01 178.19 3cd7 h LYS 666 N 0.98 0.82 -0.78 2.33 1.63 -1.48 -2.30 116.57 117.77 3cd7 h LYS 666 Ca 0.23 -0.46 -0.05 0.00 -0.85 0.00 0.00 60.65 59.52 3cd7 h LYS 666 Cb 0.20 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 3cd7 h LYS 666 CO -0.02 1.09 0.30 0.00 -3.45 0.00 0.00 179.45 177.37 3cd7 h ALA 667 N 0.83 1.01 -0.08 5.00 0.00 -0.56 -1.90 119.26 123.58 3cd7 h ALA 667 Ca 0.04 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 3cd7 h ALA 667 Cb 1.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3cd7 h ALA 667 CO 0.10 0.65 -0.51 -0.07 0.00 0.00 0.00 179.25 179.43 3cd7 h LEU 668 N 1.14 0.22 -0.41 0.00 3.38 -0.98 -1.93 115.31 116.74 3cd7 h LEU 668 Ca 0.26 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3cd7 h LEU 668 Cb 0.24 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3cd7 h LEU 668 CO -0.02 0.69 0.22 -1.28 0.09 0.00 0.00 178.44 178.14 3cd7 h SER 669 N 0.16 0.33 -0.51 -0.43 0.87 -0.95 -0.35 113.55 112.67 3cd7 h SER 669 Ca 0.01 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 3cd7 h SER 669 Cb 0.95 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.84 3cd7 h SER 669 CO 0.08 0.23 0.24 0.50 -0.53 0.00 0.00 176.83 177.35 3cd7 h LYS 670 N 0.44 0.74 0.00 2.24 1.63 -1.09 -2.62 116.57 117.90 3cd7 h LYS 670 Ca 0.17 -0.11 -0.05 0.00 -0.85 0.00 0.00 60.65 59.81 3cd7 h LYS 670 Cb 0.06 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 3cd7 h LYS 670 CO -0.11 0.62 -0.21 1.25 -3.45 0.00 0.00 179.45 177.55 3cd7 h LEU 671 N 0.68 0.00 -1.35 5.20 5.85 -1.09 -2.20 115.31 122.41 3cd7 h LEU 671 Ca 0.17 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 3cd7 h LEU 671 Cb 0.13 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 3cd7 h LEU 671 CO -0.02 0.21 -0.16 -0.74 -0.34 0.00 0.00 178.44 177.40 3cd7 h HIS 672 N 0.00 0.00 -0.18 1.25 2.76 -0.68 -2.14 115.15 116.16 3cd7 h HIS 672 Ca -0.00 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.99 3cd7 h HIS 672 Cb 0.44 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.41 3cd7 h HIS 672 CO 0.00 0.16 -0.59 0.93 -1.30 0.00 0.00 177.93 177.13 3cd7 h GLU 673 N 0.00 0.71 0.00 5.26 5.08 -1.29 -2.58 114.58 121.76 3cd7 h GLU 673 Ca -0.00 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 3cd7 h GLU 673 Cb 0.62 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 3cd7 h GLU 673 CO 0.02 1.15 -0.06 1.88 -1.00 0.00 0.00 179.01 181.00 3cd7 h TYR 674 N 0.42 0.00 -2.24 4.33 -1.99 -1.54 -3.38 116.97 112.58 3cd7 h TYR 674 Ca -0.02 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.14 3cd7 h TYR 674 Cb 1.21 0.00 -0.38 0.00 2.00 0.00 0.00 36.73 39.57 3cd7 h TYR 674 CO 0.09 0.06 -0.99 1.19 -0.00 0.00 0.00 178.16 178.51 3cd7 n PHE 675 N -3.12 -0.91 0.28 4.88 3.01 -0.82 -5.01 117.46 115.76 3cd7 n PHE 675 Ca 0.03 -3.30 0.17 0.00 1.01 0.00 0.00 57.45 55.36 3cd7 n PHE 675 Cb 0.51 0.17 0.85 0.00 -0.01 0.00 0.00 39.48 41.01 3cd7 n PHE 675 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3cd7 h PRO 676 N 5.26 0.00 0.00 -1.08 0.13 -1.64 -1.95 132.00 132.72 3cd7 h PRO 676 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 3cd7 h PRO 676 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3cd7 h PRO 676 CO 0.38 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.08 3cd7 h GLU 677 N 0.00 0.00 -6.47 0.86 4.39 -1.95 -3.46 114.58 107.95 3cd7 h GLU 677 Ca 0.05 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.21 3cd7 h GLU 677 Cb 0.66 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.33 3cd7 h GLU 677 CO -0.00 0.00 0.94 1.41 -1.16 0.00 0.00 179.01 180.20 3cd7 s MET 678 N -3.25 4.22 -0.21 2.33 1.75 -0.73 -4.64 119.30 118.77 3cd7 s MET 678 Ca 0.07 2.28 -0.11 0.00 -1.25 0.00 0.00 55.69 56.67 3cd7 s MET 678 Cb 0.10 -3.50 -0.05 0.00 2.84 0.00 0.00 34.83 34.22 3cd7 s MET 678 CO 0.50 -0.68 0.20 -1.14 -0.65 0.00 0.00 175.02 173.24 3cd7 s GLN 679 N 2.27 4.14 -0.73 4.11 0.74 -0.00 -4.95 119.66 125.24 3cd7 s GLN 679 Ca 0.71 -0.15 -0.22 0.00 0.05 0.00 0.00 55.36 55.76 3cd7 s GLN 679 Cb -0.39 -3.49 0.08 0.00 1.10 0.00 0.00 33.01 30.31 3cd7 s GLN 679 CO 0.31 0.15 1.02 0.42 -0.55 0.00 0.00 175.29 176.64 3cd7 s ILE 680 N 0.80 4.40 0.09 -2.34 1.01 -1.26 -0.61 121.20 123.29 3cd7 s ILE 680 Ca 0.10 -0.66 -0.16 0.00 0.00 0.00 0.00 60.65 59.93 3cd7 s ILE 680 Cb -0.13 -4.72 -0.09 0.00 0.01 0.00 0.00 42.46 37.53 3cd7 s ILE 680 CO 0.03 -1.49 1.42 0.25 0.00 0.00 0.00 174.94 175.15 3cd7 h LEU 681 N 11.19 0.65 -7.00 2.97 5.85 -1.81 -3.46 115.31 123.69 3cd7 h LEU 681 Ca -0.17 -0.45 -0.03 0.00 0.84 0.00 0.00 57.88 58.07 3cd7 h LEU 681 Cb 1.06 -0.18 -0.22 0.00 0.37 0.00 0.00 40.66 41.69 3cd7 h LEU 681 CO 1.17 0.97 0.17 0.00 -0.34 0.00 0.00 178.44 180.41 3cd7 s ALA 682 N -4.42 -1.80 0.15 1.25 0.00 -1.11 -5.04 121.76 110.79 3cd7 s ALA 682 Ca -0.13 1.99 0.33 0.00 0.00 0.00 0.00 51.96 54.15 3cd7 s ALA 682 Cb 0.08 -1.17 1.37 0.00 0.00 0.00 0.00 23.12 23.40 3cd7 s ALA 682 CO 0.81 -0.33 1.99 -0.24 0.00 0.00 0.00 175.76 177.99 3cd7 h VAL 683 N 3.92 0.10 -3.27 0.00 3.04 -1.89 -2.27 116.25 115.87 3cd7 h VAL 683 Ca -0.29 -0.56 -0.63 0.00 -1.01 0.00 0.00 66.70 64.21 3cd7 h VAL 683 Cb 1.16 1.51 -0.36 0.00 -2.01 0.00 0.00 31.29 31.59 3cd7 h VAL 683 CO 0.07 0.03 -0.83 -0.55 -1.01 0.00 0.00 177.57 175.28 3cd7 s SER 684 N -5.75 3.18 -0.45 3.17 0.15 -1.26 -3.05 113.70 109.69 3cd7 s SER 684 Ca 0.01 -0.74 0.04 0.00 0.70 0.00 0.00 55.95 55.96 3cd7 s SER 684 Cb 0.09 -1.30 0.58 0.00 -1.71 0.00 0.00 66.02 63.68 3cd7 s SER 684 CO 0.55 -0.08 1.80 0.61 1.20 0.00 0.00 173.24 177.32 3cd7 n GLY 685 N 4.68 4.95 2.58 9.45 0.00 0.70 -4.69 105.19 122.85 3cd7 n GLY 685 Ca -0.17 -1.43 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 3cd7 n GLY 685 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cd7 n ASN 686 N -1.08 -5.12 -0.92 1.61 4.13 -1.24 -4.78 115.26 107.85 3cd7 n ASN 686 Ca 0.54 0.29 0.12 0.00 1.68 0.00 0.00 54.58 57.20 3cd7 n ASN 686 Cb 1.30 -3.65 0.25 0.00 -1.54 0.00 0.00 39.78 36.14 3cd7 n ASN 686 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3cd7 n TYR 687 N -2.42 0.28 0.17 3.10 9.36 -1.20 -4.54 117.16 121.91 3cd7 n TYR 687 Ca -0.12 -0.14 -0.14 0.00 3.32 0.00 0.00 57.90 60.82 3cd7 n TYR 687 Cb 0.50 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.13 3cd7 n TYR 687 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3cd7 s THR 689 N -5.41 5.45 -0.24 0.00 2.01 -1.26 -4.74 115.64 111.45 3cd7 s THR 689 Ca -0.15 0.19 -0.08 0.00 0.31 0.00 0.00 61.69 61.96 3cd7 s THR 689 Cb 0.03 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 3cd7 s THR 689 CO 0.61 0.57 0.09 -0.62 -0.69 0.00 0.00 174.62 174.57 3cd7 s ASP 690 N -0.63 5.37 -1.36 3.53 2.15 -1.26 -4.61 116.67 119.86 3cd7 s ASP 690 Ca 0.13 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 52.99 3cd7 s ASP 690 Cb -0.12 -1.96 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 3cd7 s ASP 690 CO 0.02 0.00 0.00 0.29 -0.17 0.00 0.00 175.17 175.32 3cd7 n LYS 691 N 4.67 -1.07 -4.14 4.34 5.02 -1.26 -4.99 118.16 120.73 3cd7 n LYS 691 Ca -0.16 0.93 -0.16 0.00 -2.02 0.00 0.00 58.31 56.90 3cd7 n LYS 691 Cb 0.52 -5.05 -0.12 0.00 -0.02 0.00 0.00 35.03 30.36 3cd7 n LYS 691 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cd7 s LYS 692 N -3.01 0.69 0.16 1.97 3.01 -1.26 -4.95 119.74 116.36 3cd7 s LYS 692 Ca 0.00 -0.82 -0.31 0.00 -1.01 0.00 0.00 55.97 53.82 3cd7 s LYS 692 Cb 0.00 -0.60 -0.10 0.00 -1.01 0.00 0.00 37.83 36.12 3cd7 s LYS 692 CO 0.00 0.13 1.51 -1.25 0.51 0.00 0.00 175.35 176.25 3cd7 s PRO 693 N -1.55 4.25 -0.21 -1.68 0.04 -1.26 -4.76 135.00 129.83 3cd7 s PRO 693 Ca -0.05 2.28 -0.11 0.00 0.04 0.00 0.00 61.00 63.16 3cd7 s PRO 693 Cb -0.09 -3.17 0.07 0.00 0.04 0.00 0.00 34.50 31.34 3cd7 s PRO 693 CO 0.01 -0.54 0.51 0.00 0.04 0.00 0.00 177.00 177.02 3cd7 s ALA 694 N 0.97 -1.34 0.55 8.56 0.00 -1.26 -5.02 121.76 124.21 3cd7 s ALA 694 Ca 0.67 1.84 0.28 0.00 0.00 0.00 0.00 51.96 54.75 3cd7 s ALA 694 Cb -0.42 -1.12 1.45 0.00 0.00 0.00 0.00 23.12 23.04 3cd7 s ALA 694 CO 0.33 -0.33 1.94 0.00 0.00 0.00 0.00 175.76 177.70 3cd7 h ALA 695 N 7.14 2.51 -0.57 0.00 0.00 -1.94 -2.47 119.26 123.92 3cd7 h ALA 695 Ca -0.34 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 3cd7 h ALA 695 Cb 1.19 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3cd7 h ALA 695 CO 0.24 -0.80 0.13 0.97 0.00 0.00 0.00 179.25 179.79 3cd7 h ILE 696 N 0.00 1.23 -0.44 0.00 2.10 -1.97 -1.30 117.51 117.13 3cd7 h ILE 696 Ca 0.29 -0.86 -0.10 0.00 1.08 0.00 0.00 64.86 65.27 3cd7 h ILE 696 Cb 1.25 0.66 -0.02 0.00 -1.09 0.00 0.00 36.82 37.62 3cd7 h ILE 696 CO -0.00 0.32 -0.13 0.78 -1.08 0.00 0.00 178.15 178.03 3cd7 h ASN 697 N 0.85 0.82 -0.29 2.19 2.35 -1.72 0.38 115.58 120.17 3cd7 h ASN 697 Ca 0.18 -0.26 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 3cd7 h ASN 697 Cb 0.32 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3cd7 h ASN 697 CO 0.00 0.96 -0.03 -0.25 -1.65 0.00 0.00 177.43 176.46 3cd7 h TRP 698 N 0.74 0.68 0.04 1.19 2.91 -1.47 -1.30 115.95 118.74 3cd7 h TRP 698 Ca 0.12 -0.09 -0.37 0.00 1.13 0.00 0.00 58.89 59.68 3cd7 h TRP 698 Cb 0.64 -0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 29.05 3cd7 h TRP 698 CO 0.03 0.67 -2.21 -0.89 -1.03 0.00 0.00 178.44 175.01 3cd7 n ILE 699 N -4.23 1.58 -0.02 2.65 5.41 -0.53 -4.47 119.36 119.75 3cd7 n ILE 699 Ca 0.02 -0.68 -0.01 0.00 1.00 0.00 0.00 62.75 63.08 3cd7 n ILE 699 Cb 0.29 -1.30 -0.13 0.00 -0.71 0.00 0.00 39.64 37.80 3cd7 n ILE 699 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3cd7 n GLU 700 N -3.21 0.65 0.00 0.38 -0.58 0.11 -5.10 120.64 112.90 3cd7 n GLU 700 Ca -0.35 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.45 3cd7 n GLU 700 Cb 1.05 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 30.26 3cd7 n GLU 700 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3cd7 n GLY 701 N 1.49 -0.95 3.64 0.62 0.00 -0.49 -5.04 105.19 104.46 3cd7 n GLY 701 Ca -0.16 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 3cd7 n GLY 701 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cd7 s ARG 702 N -2.83 0.71 7.51 1.61 3.52 -1.09 -4.70 118.95 123.67 3cd7 s ARG 702 Ca 0.00 0.97 0.00 0.00 -0.13 0.00 0.00 55.73 56.57 3cd7 s ARG 702 Cb 0.00 0.28 0.00 0.00 -1.56 0.00 0.00 34.95 33.67 3cd7 s ARG 702 CO 0.00 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.79 3cd7 n GLY 703 N 3.16 2.83 3.69 8.12 0.00 -0.73 -3.27 105.19 118.98 3cd7 n GLY 703 Ca -0.16 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 3cd7 n GLY 703 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cd7 s LYS 704 N 0.00 4.10 -0.12 1.61 -0.14 0.32 -1.32 119.74 124.20 3cd7 s LYS 704 Ca 0.00 -0.27 -0.13 0.00 -1.36 0.00 0.00 55.97 54.21 3cd7 s LYS 704 Cb 0.00 -3.38 -0.05 0.00 -1.68 0.00 0.00 37.83 32.72 3cd7 s LYS 704 CO 0.00 0.25 0.31 -1.12 -0.76 0.00 0.00 175.35 174.02 3cd7 s SER 705 N 0.50 6.53 -0.00 2.83 0.01 -0.71 -0.79 113.70 122.06 3cd7 s SER 705 Ca 0.07 0.62 -0.04 0.00 1.31 0.00 0.00 55.95 57.91 3cd7 s SER 705 Cb -0.12 -2.19 -0.00 0.00 0.21 0.00 0.00 66.02 63.92 3cd7 s SER 705 CO -0.00 0.19 0.07 -0.69 0.41 0.00 0.00 173.24 173.22 3cd7 s VAL 706 N -0.09 0.06 -0.01 3.43 1.01 -0.30 -0.13 120.40 124.38 3cd7 s VAL 706 Ca 0.18 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.67 3cd7 s VAL 706 Cb -0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 3cd7 s VAL 706 CO 0.06 -0.29 -0.10 0.54 0.00 0.00 0.00 175.10 175.31 3cd7 s VAL 707 N -0.93 0.79 0.06 2.92 0.11 -0.67 -0.95 120.40 121.73 3cd7 s VAL 707 Ca -0.10 -0.42 0.03 0.00 -2.93 0.00 0.00 61.98 58.55 3cd7 s VAL 707 Cb -0.06 -0.66 -0.03 0.00 -1.53 0.00 0.00 36.38 34.10 3cd7 s VAL 707 CO 0.00 0.22 -0.09 0.00 -3.33 0.00 0.00 175.10 171.91 3cd7 s GLU 709 N -2.11 1.04 0.23 0.00 -1.05 -0.46 -1.67 118.70 114.68 3cd7 s GLU 709 Ca -0.04 -0.22 -0.19 0.00 -0.15 0.00 0.00 54.97 54.37 3cd7 s GLU 709 Cb -0.07 0.48 0.03 0.00 -0.44 0.00 0.00 34.13 34.13 3cd7 s GLU 709 CO -0.00 -0.38 0.61 0.00 0.95 0.00 0.00 175.26 176.44 3cd7 s ALA 710 N -2.42 -1.11 -0.14 -0.84 0.00 -0.74 -1.27 121.76 115.23 3cd7 s ALA 710 Ca -0.05 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 51.74 3cd7 s ALA 710 Cb -0.01 0.88 0.01 0.00 0.00 0.00 0.00 23.12 24.00 3cd7 s ALA 710 CO -0.02 -0.89 -0.20 0.08 0.00 0.00 0.00 175.76 174.73 3cd7 s VAL 711 N -3.88 1.90 -0.31 0.00 1.01 -1.26 -1.88 120.40 115.98 3cd7 s VAL 711 Ca 0.10 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 3cd7 s VAL 711 Cb -0.03 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 3cd7 s VAL 711 CO 0.00 0.52 0.18 -0.63 0.00 0.00 0.00 175.10 175.17 3cd7 s ILE 712 N 1.00 4.94 0.66 2.22 -1.09 0.12 -4.61 121.20 124.44 3cd7 s ILE 712 Ca -0.04 -0.22 -0.17 0.00 -2.23 0.00 0.00 60.65 57.99 3cd7 s ILE 712 Cb -0.15 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 3cd7 s ILE 712 CO -0.05 0.10 0.91 -2.65 -1.23 0.00 0.00 174.94 172.02 3cd7 n PRO 713 N 5.03 0.68 -0.12 2.79 -0.02 -1.26 -1.02 135.00 141.08 3cd7 n PRO 713 Ca -0.14 0.28 -0.05 0.00 -2.02 0.00 0.00 63.50 61.57 3cd7 n PRO 713 Cb 0.50 -2.14 0.03 0.00 -0.02 0.00 0.00 33.50 31.87 3cd7 n PRO 713 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cd7 h ALA 714 N 0.11 0.48 -0.83 3.55 0.00 -1.93 -1.49 119.26 119.15 3cd7 h ALA 714 Ca -0.48 0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.54 3cd7 h ALA 714 Cb 1.35 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 3cd7 h ALA 714 CO 0.48 -0.23 0.54 -0.22 0.00 0.00 0.00 179.25 179.83 3cd7 h LYS 715 N 0.32 0.88 -0.40 0.00 3.64 -1.90 -1.81 116.57 117.30 3cd7 h LYS 715 Ca 0.18 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.38 3cd7 h LYS 715 Cb 0.15 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3cd7 h LYS 715 CO -0.18 0.58 -0.27 0.28 -2.27 0.00 0.00 179.45 177.60 3cd7 h VAL 716 N 0.91 1.27 -0.44 2.00 2.07 -1.65 -1.53 116.25 118.88 3cd7 h VAL 716 Ca 0.36 -1.41 -0.06 0.00 0.82 0.00 0.00 66.70 66.42 3cd7 h VAL 716 Cb 0.24 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3cd7 h VAL 716 CO -0.13 0.47 0.04 0.58 0.02 0.00 0.00 177.57 178.55 3cd7 h VAL 717 N 0.71 1.22 -0.07 2.57 2.07 -0.68 -1.12 116.25 120.95 3cd7 h VAL 717 Ca 0.09 -0.85 -0.10 0.00 0.82 0.00 0.00 66.70 66.65 3cd7 h VAL 717 Cb 0.81 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3cd7 h VAL 717 CO 0.07 0.30 -0.35 0.03 0.02 0.00 0.00 177.57 177.64 3cd7 h ARG 718 N 0.66 0.37 0.11 1.57 3.08 -1.18 -1.65 114.38 117.34 3cd7 h ARG 718 Ca 0.14 -0.29 -0.29 0.00 0.07 0.00 0.00 59.98 59.60 3cd7 h ARG 718 Cb 0.35 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3cd7 h ARG 718 CO 0.01 0.93 -1.51 0.93 -1.07 0.00 0.00 179.97 179.26 3cd7 h GLU 719 N -0.11 0.24 0.02 0.04 5.08 -1.21 -2.56 114.58 116.08 3cd7 h GLU 719 Ca -0.02 -0.41 -0.11 0.00 -1.00 0.00 0.00 59.36 57.82 3cd7 h GLU 719 Cb 1.00 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3cd7 h GLU 719 CO 0.07 1.20 -0.56 0.28 -1.00 0.00 0.00 179.01 179.00 3cd7 h VAL 720 N -0.27 1.44 -0.00 3.13 2.07 -1.40 -3.39 116.25 117.82 3cd7 h VAL 720 Ca -0.33 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 64.88 3cd7 h VAL 720 Cb 1.79 2.97 0.00 0.00 -1.52 0.00 0.00 31.29 34.53 3cd7 h VAL 720 CO 0.05 0.53 -0.53 0.18 0.02 0.00 0.00 177.57 177.83 3cd7 n LEU 721 N -4.47 0.95 -1.85 2.57 4.77 -1.05 -4.98 117.00 112.94 3cd7 n LEU 721 Ca -0.18 -0.28 -0.19 0.00 -0.03 0.00 0.00 56.01 55.34 3cd7 n LEU 721 Cb 0.60 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 3cd7 n LEU 721 CO 0.31 0.20 -0.21 0.29 -1.33 0.00 0.00 177.39 176.65 3cd7 n LYS 722 N -1.06 -1.41 -1.05 3.23 4.76 -0.65 -4.66 118.16 117.32 3cd7 n LYS 722 Ca 0.08 1.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.51 3cd7 n LYS 722 Cb 0.36 -5.44 0.00 0.00 -1.84 0.00 0.00 35.03 28.11 3cd7 n LYS 722 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 3cd7 n THR 723 N -3.42 0.00 -4.36 -0.18 5.66 -1.08 -4.78 114.28 106.12 3cd7 n THR 723 Ca -0.21 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.60 3cd7 n THR 723 Cb 0.65 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.33 3cd7 n THR 723 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3cd7 s THR 724 N -1.67 1.73 0.23 1.09 -4.23 -1.26 -3.24 115.64 108.28 3cd7 s THR 724 Ca 0.00 -2.20 -0.07 0.00 -1.18 0.00 0.00 61.69 58.24 3cd7 s THR 724 Cb 0.00 -2.11 0.18 0.00 1.34 0.00 0.00 72.50 71.91 3cd7 s THR 724 CO 0.00 -0.55 1.79 0.74 -0.54 0.00 0.00 174.62 176.06 3cd7 h THR 725 N 2.51 0.88 -0.44 3.99 2.02 -1.90 -1.73 112.91 118.26 3cd7 h THR 725 Ca -0.38 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 3cd7 h THR 725 Cb 1.22 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 3cd7 h THR 725 CO 0.63 0.12 0.24 -0.08 0.37 0.00 0.00 175.52 176.80 3cd7 h GLU 726 N 0.65 0.61 -0.18 6.66 4.81 -1.91 -1.85 114.58 123.37 3cd7 h GLU 726 Ca 0.35 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.43 3cd7 h GLU 726 Cb 0.33 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3cd7 h GLU 726 CO -0.25 0.48 -0.23 0.00 -0.73 0.00 0.00 179.01 178.28 3cd7 h ALA 727 N 1.10 1.29 -0.06 2.92 0.00 -1.89 -2.39 119.26 120.23 3cd7 h ALA 727 Ca 0.15 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.53 3cd7 h ALA 727 Cb 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.74 3cd7 h ALA 727 CO -0.03 0.48 -0.91 0.52 0.00 0.00 0.00 179.25 179.31 3cd7 h MET 728 N 0.29 0.64 -0.01 0.00 2.86 -1.12 -2.29 114.93 115.29 3cd7 h MET 728 Ca 0.05 -0.62 -0.00 0.00 -2.06 0.00 0.00 59.70 57.07 3cd7 h MET 728 Cb 0.56 0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.38 3cd7 h MET 728 CO 0.04 1.22 0.01 0.82 1.06 0.00 0.00 176.91 180.06 3cd7 h ILE 729 N 0.40 1.11 -0.28 -1.22 2.04 -1.24 -1.75 117.51 116.56 3cd7 h ILE 729 Ca -0.09 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.51 3cd7 h ILE 729 Cb 1.54 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.87 3cd7 h ILE 729 CO 0.17 0.08 0.01 -0.08 0.00 0.00 0.00 178.15 178.33 3cd7 h GLU 730 N -0.11 0.09 -0.57 2.37 4.81 -1.43 -0.72 114.58 119.02 3cd7 h GLU 730 Ca 0.00 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 3cd7 h GLU 730 Cb 0.13 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3cd7 h GLU 730 CO -0.00 0.06 -0.02 0.28 -0.73 0.00 0.00 179.01 178.60 3cd7 h VAL 731 N 0.09 1.27 -0.34 0.32 2.07 -1.39 -2.49 116.25 115.78 3cd7 h VAL 731 Ca 0.13 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 3cd7 h VAL 731 Cb 0.17 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3cd7 h VAL 731 CO -0.22 0.42 0.15 -1.13 0.02 0.00 0.00 177.57 176.81 3cd7 h ASN 732 N 0.91 0.45 -0.36 0.57 -1.24 -0.85 -0.43 115.58 114.62 3cd7 h ASN 732 Ca 0.16 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.03 3cd7 h ASN 732 Cb 0.57 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.49 3cd7 h ASN 732 CO 0.03 0.47 0.23 0.40 -1.29 0.00 0.00 177.43 177.28 3cd7 h ILE 733 N 0.40 1.10 0.00 2.57 2.04 -1.10 -1.34 117.51 121.18 3cd7 h ILE 733 Ca 0.11 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3cd7 h ILE 733 Cb 0.15 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3cd7 h ILE 733 CO -0.01 0.09 -0.53 0.59 0.00 0.00 0.00 178.15 178.29 3cd7 n ASN 734 N -4.83 0.56 -0.07 1.72 3.02 -0.94 -0.98 115.26 113.74 3cd7 n ASN 734 Ca -0.00 -0.02 -0.09 0.00 -0.03 0.00 0.00 54.58 54.44 3cd7 n ASN 734 Cb 0.03 0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 3cd7 n ASN 734 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3cd7 n LYS 735 N -1.80 0.43 0.17 3.52 4.81 -0.19 -2.01 118.16 123.08 3cd7 n LYS 735 Ca 0.04 0.17 0.06 0.00 -0.87 0.00 0.00 58.31 57.72 3cd7 n LYS 735 Cb 0.39 -1.25 0.08 0.00 0.02 0.00 0.00 35.03 34.27 3cd7 n LYS 735 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3cd7 h ASN 736 N -0.80 0.00 0.00 3.14 2.35 -1.40 -1.98 115.58 116.90 3cd7 h ASN 736 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3cd7 h ASN 736 Cb 0.87 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.24 3cd7 h ASN 736 CO -0.04 0.30 -0.53 0.18 -1.65 0.00 0.00 177.43 175.70 3cd7 n LEU 737 N -3.18 1.10 -0.07 1.61 4.77 -1.07 -4.16 117.00 116.00 3cd7 n LEU 737 Ca 0.03 0.18 -0.15 0.00 -0.03 0.00 0.00 56.01 56.04 3cd7 n LEU 737 Cb 0.65 -0.59 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 3cd7 n LEU 737 CO 0.38 -0.40 0.42 0.58 -1.33 0.00 0.00 177.39 177.05 3cd7 h VAL 738 N -0.53 1.29 0.04 4.08 2.07 -1.24 -1.49 116.25 120.47 3cd7 h VAL 738 Ca 0.00 -1.73 -0.00 0.00 0.82 0.00 0.00 66.70 65.79 3cd7 h VAL 738 Cb 0.53 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3cd7 h VAL 738 CO 0.00 0.56 -0.02 1.23 0.02 0.00 0.00 177.57 179.36 3cd7 h GLY 739 N 0.57 -0.05 1.48 2.17 0.00 -1.06 -0.90 103.07 105.27 3cd7 h GLY 739 Ca 0.01 0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.36 3cd7 h GLY 739 CO 0.12 -0.02 0.35 1.76 0.00 0.00 0.00 176.54 178.75 3cd7 h SER 740 N -0.24 0.61 -0.38 0.19 0.02 -1.41 -2.00 113.55 110.34 3cd7 h SER 740 Ca -0.01 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 3cd7 h SER 740 Cb 0.22 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 3cd7 h SER 740 CO 0.01 0.44 0.07 0.00 -1.14 0.00 0.00 176.83 176.21 3cd7 h ALA 741 N 1.67 0.51 0.00 3.77 0.00 -0.90 -1.74 119.26 122.57 3cd7 h ALA 741 Ca 0.20 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3cd7 h ALA 741 Cb -0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3cd7 h ALA 741 CO -0.04 0.21 -0.20 0.52 0.00 0.00 0.00 179.25 179.74 3cd7 h MET 742 N 0.48 0.00 -0.00 0.00 2.86 -0.76 -2.41 114.93 115.10 3cd7 h MET 742 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3cd7 h MET 742 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 3cd7 h MET 742 CO 0.01 0.20 -0.21 0.00 1.06 0.00 0.00 176.91 177.97 3cd7 n ALA 743 N -2.32 2.95 -2.51 6.32 0.00 -0.79 -4.96 120.51 119.21 3cd7 n ALA 743 Ca -0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 53.44 53.09 3cd7 n ALA 743 Cb 0.32 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.53 3cd7 n ALA 743 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cd7 n GLY 744 N 1.37 0.53 3.78 0.00 0.00 -0.89 -5.03 105.19 104.95 3cd7 n GLY 744 Ca 0.11 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 3cd7 n GLY 744 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cd7 s SER 745 N -3.13 7.17 -0.33 1.61 0.15 -0.71 -5.05 113.70 113.42 3cd7 s SER 745 Ca 0.06 1.39 -0.03 0.00 0.70 0.00 0.00 55.95 58.06 3cd7 s SER 745 Cb -0.03 -2.42 0.06 0.00 -1.71 0.00 0.00 66.02 61.92 3cd7 s SER 745 CO 0.13 0.19 0.06 -0.63 1.20 0.00 0.00 173.24 174.19 3cd7 s ILE 746 N -0.82 3.26 0.00 6.45 -1.09 -1.26 -4.73 121.20 123.02 3cd7 s ILE 746 Ca 0.33 -1.40 0.00 0.00 -2.23 0.00 0.00 60.65 57.34 3cd7 s ILE 746 Cb -0.21 -2.92 0.00 0.00 -1.58 0.00 0.00 42.46 37.76 3cd7 s ILE 746 CO 0.21 -0.21 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 3cd7 n GLY 747 N 4.67 0.72 2.72 6.18 0.00 -1.26 -4.94 105.19 113.29 3cd7 n GLY 747 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 3cd7 n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd7 n GLY 748 N -2.00 5.81 2.63 -0.02 0.00 -1.26 -1.55 105.19 108.79 3cd7 n GLY 748 Ca 0.00 -2.65 -0.39 0.00 0.00 0.00 0.00 46.02 42.98 3cd7 n GLY 748 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cd7 n TYR 749 N -0.41 2.65 -3.96 1.61 4.02 -0.77 -4.80 117.16 115.50 3cd7 n TYR 749 Ca 0.44 -2.53 -0.09 0.00 -0.01 0.00 0.00 57.90 55.72 3cd7 n TYR 749 Cb 0.42 -1.38 -0.05 0.00 -0.02 0.00 0.00 39.34 38.32 3cd7 n TYR 749 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3cd7 s ASN 750 N -0.70 -0.13 -0.11 7.72 2.20 -1.23 -0.99 114.94 121.70 3cd7 s ASN 750 Ca 0.47 -0.84 -0.03 0.00 -0.94 0.00 0.00 52.86 51.52 3cd7 s ASN 750 Cb 0.25 0.61 -0.02 0.00 -2.00 0.00 0.00 41.25 40.09 3cd7 s ASN 750 CO -0.18 -1.16 -0.00 0.00 -2.94 0.00 0.00 177.10 172.81 3cd7 h ALA 751 N 2.21 0.00 -0.09 3.54 0.00 -1.93 -3.46 119.26 119.53 3cd7 h ALA 751 Ca -0.25 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.32 3cd7 h ALA 751 Cb 1.25 0.12 -0.19 0.00 0.00 0.00 0.00 17.79 18.97 3cd7 h ALA 751 CO 0.34 0.12 -0.42 -2.39 0.00 0.00 0.00 179.25 176.89 3cd7 n HIS 752 N -4.73 -1.72 -0.27 0.00 1.44 -1.26 -4.94 115.22 103.74 3cd7 n HIS 752 Ca -0.02 -1.87 0.22 0.00 -2.01 0.00 0.00 57.72 54.03 3cd7 n HIS 752 Cb 0.08 1.31 0.53 0.00 0.12 0.00 0.00 29.99 32.04 3cd7 n HIS 752 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3cd7 h ALA 753 N 1.55 2.29 -0.56 1.59 0.00 -1.89 -1.89 119.26 120.34 3cd7 h ALA 753 Ca -0.35 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3cd7 h ALA 753 Cb 1.29 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3cd7 h ALA 753 CO -0.09 -0.62 0.28 0.00 0.00 0.00 0.00 179.25 178.83 3cd7 h ALA 754 N 1.60 1.44 0.07 0.00 0.00 -1.92 -0.61 119.26 119.85 3cd7 h ALA 754 Ca 0.51 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.33 3cd7 h ALA 754 Cb 1.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3cd7 h ALA 754 CO -0.20 0.45 -0.12 -0.91 0.00 0.00 0.00 179.25 178.47 3cd7 h ASN 755 N 0.79 -0.34 -0.07 0.00 2.35 -1.75 -0.18 115.58 116.37 3cd7 h ASN 755 Ca 0.20 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 3cd7 h ASN 755 Cb 0.06 0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 3cd7 h ASN 755 CO -0.03 -0.18 -0.02 0.40 -1.65 0.00 0.00 177.43 175.94 3cd7 h ILE 756 N -0.25 1.30 -0.42 2.81 5.03 -1.55 -1.91 117.51 122.52 3cd7 h ILE 756 Ca 0.02 -0.96 0.06 0.00 -0.12 0.00 0.00 64.86 63.86 3cd7 h ILE 756 Cb 0.26 1.80 -0.05 0.00 -3.03 0.00 0.00 36.82 35.80 3cd7 h ILE 756 CO -0.07 0.27 0.13 0.58 -0.68 0.00 0.00 178.15 178.37 3cd7 h VAL 757 N -0.20 0.83 -0.57 1.67 2.07 -1.12 -1.60 116.25 117.33 3cd7 h VAL 757 Ca 0.02 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 3cd7 h VAL 757 Cb 0.43 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3cd7 h VAL 757 CO 0.01 0.05 0.08 0.74 0.02 0.00 0.00 177.57 178.47 3cd7 h THR 758 N 0.28 1.26 -0.21 2.57 2.02 -0.95 -1.63 112.91 116.25 3cd7 h THR 758 Ca 0.20 -1.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.31 3cd7 h THR 758 Cb 0.21 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3cd7 h THR 758 CO -0.23 0.36 -0.12 0.00 0.37 0.00 0.00 175.52 175.91 3cd7 h ALA 759 N 1.00 0.30 -0.62 6.16 0.00 -1.11 -1.99 119.26 123.00 3cd7 h ALA 759 Ca 0.17 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3cd7 h ALA 759 Cb 0.44 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3cd7 h ALA 759 CO 0.01 0.16 0.27 0.82 0.00 0.00 0.00 179.25 180.51 3cd7 h ILE 760 N 0.15 1.23 -0.36 0.00 2.04 -1.25 -1.19 117.51 118.13 3cd7 h ILE 760 Ca 0.05 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 3cd7 h ILE 760 Cb 0.62 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3cd7 h ILE 760 CO 0.03 0.27 0.17 1.88 0.00 0.00 0.00 178.15 180.50 3cd7 h TYR 761 N 0.86 0.52 -0.57 1.37 -1.99 -1.18 -0.06 116.97 115.92 3cd7 h TYR 761 Ca 0.21 -0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.88 3cd7 h TYR 761 Cb 0.17 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 38.72 3cd7 h TYR 761 CO 0.01 0.45 0.21 0.82 -0.00 0.00 0.00 178.16 179.65 3cd7 h ILE 762 N 0.44 1.23 -0.09 -2.88 2.04 -1.35 -0.43 117.51 116.47 3cd7 h ILE 762 Ca 0.12 -0.74 -0.10 0.00 1.00 0.00 0.00 64.86 65.15 3cd7 h ILE 762 Cb 0.13 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3cd7 h ILE 762 CO -0.01 0.28 -0.39 0.00 0.00 0.00 0.00 178.15 178.03 3cd7 h ALA 763 N 1.07 1.19 -0.50 1.87 0.00 -1.22 -3.24 119.26 118.42 3cd7 h ALA 763 Ca 0.19 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3cd7 h ALA 763 Cb 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3cd7 h ALA 763 CO -0.01 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.79 3cd7 n GLY 765 N 0.49 0.97 3.88 0.00 0.00 -0.91 -4.55 105.19 105.08 3cd7 n GLY 765 Ca 0.24 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 3cd7 n GLY 765 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cd7 s GLN 766 N -3.12 1.85 -0.61 1.61 -1.52 -0.22 -2.63 119.66 115.02 3cd7 s GLN 766 Ca 0.00 0.16 -0.26 0.00 -1.95 0.00 0.00 55.36 53.30 3cd7 s GLN 766 Cb 0.00 -1.93 0.04 0.00 -0.22 0.00 0.00 33.01 30.89 3cd7 s GLN 766 CO 0.00 -1.68 1.11 0.34 -0.25 0.00 0.00 175.29 174.81 3cd7 s ASP 767 N -4.47 6.33 0.45 5.90 -1.08 -1.26 -4.69 116.67 117.84 3cd7 s ASP 767 Ca 0.62 -0.25 0.20 0.00 -0.52 0.00 0.00 52.55 52.60 3cd7 s ASP 767 Cb -0.12 -2.51 1.06 0.00 -1.46 0.00 0.00 42.92 39.90 3cd7 s ASP 767 CO 0.50 -1.48 1.94 0.00 0.52 0.00 0.00 175.17 176.65 3cd7 h ALA 768 N 9.58 1.34 -0.09 3.66 0.00 -1.95 -2.07 119.26 129.74 3cd7 h ALA 768 Ca -0.26 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.46 3cd7 h ALA 768 Cb 1.06 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3cd7 h ALA 768 CO 1.18 0.29 0.08 0.00 0.00 0.00 0.00 179.25 180.79 3cd7 h ALA 769 N 1.77 1.85 0.00 0.00 0.00 -2.01 -2.04 119.26 118.83 3cd7 h ALA 769 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3cd7 h ALA 769 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3cd7 h ALA 769 CO 0.03 -0.12 0.00 1.04 0.00 0.00 0.00 179.25 180.20 3cd7 n GLN 770 N -4.15 0.88 0.31 0.00 6.02 -0.78 -3.18 117.38 116.49 3cd7 n GLN 770 Ca -0.01 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.18 3cd7 n GLN 770 Cb 0.18 -1.32 1.02 0.00 1.02 0.00 0.00 30.24 31.15 3cd7 n GLN 770 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 177.06 173.10 3cd7 h ASN 771 N 0.00 0.00 -0.03 1.08 -1.07 -1.53 -1.38 115.58 112.65 3cd7 h ASN 771 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 56.30 56.40 3cd7 h ASN 771 Cb 0.00 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.19 3cd7 h ASN 771 CO 0.00 0.02 -0.43 0.58 0.07 0.00 0.00 177.43 177.67 3cd7 h VAL 772 N 0.00 0.14 0.03 6.14 2.07 -1.80 -2.39 116.25 120.44 3cd7 h VAL 772 Ca -0.00 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.20 3cd7 h VAL 772 Cb 0.15 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.02 3cd7 h VAL 772 CO 0.00 0.00 -1.88 0.61 0.02 0.00 0.00 177.57 176.32 3cd7 n GLY 773 N -1.45 -0.89 0.29 2.17 0.00 -1.19 -4.20 105.19 99.93 3cd7 n GLY 773 Ca -0.05 -0.13 0.17 0.00 0.00 0.00 0.00 46.02 46.00 3cd7 n GLY 773 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3cd7 h SER 774 N 0.01 0.00 0.84 1.61 0.02 -1.23 -2.19 113.55 112.62 3cd7 h SER 774 Ca -0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3cd7 h SER 774 Cb 2.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.58 3cd7 h SER 774 CO 0.07 0.04 -0.12 -1.20 -1.14 0.00 0.00 176.83 174.48 3cd7 n SER 775 N -3.46 0.14 -4.66 3.07 7.64 -0.90 -4.42 113.62 111.03 3cd7 n SER 775 Ca -0.02 0.26 -0.56 0.00 1.01 0.00 0.00 58.87 59.56 3cd7 n SER 775 Cb 0.16 -0.30 -0.07 0.00 -1.01 0.00 0.00 64.21 63.00 3cd7 n SER 775 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3cd7 n ASN 776 N -1.47 1.98 -3.65 6.43 3.02 -0.83 -4.60 115.26 116.14 3cd7 n ASN 776 Ca 0.07 1.10 -0.12 0.00 -0.03 0.00 0.00 54.58 55.60 3cd7 n ASN 776 Cb 0.33 -1.14 -0.08 0.00 -0.61 0.00 0.00 39.78 38.28 3cd7 n ASN 776 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cd7 s ILE 778 N 0.76 3.06 -0.25 0.00 2.07 -0.60 -1.84 121.20 124.39 3cd7 s ILE 778 Ca -0.03 -0.64 -0.06 0.00 -1.41 0.00 0.00 60.65 58.51 3cd7 s ILE 778 Cb -0.05 -2.32 -0.01 0.00 0.13 0.00 0.00 42.46 40.21 3cd7 s ILE 778 CO -0.06 0.50 0.04 -0.89 -1.91 0.00 0.00 174.94 172.62 3cd7 s THR 779 N 0.73 3.91 -0.07 4.00 2.01 -0.16 -1.20 115.64 124.85 3cd7 s THR 779 Ca -0.05 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.55 3cd7 s THR 779 Cb -0.15 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 3cd7 s THR 779 CO 0.02 0.29 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.37 3cd7 s LEU 780 N 1.54 2.88 0.02 4.42 1.43 -0.08 -4.89 118.68 124.00 3cd7 s LEU 780 Ca 0.05 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 3cd7 s LEU 780 Cb -0.15 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 3cd7 s LEU 780 CO 0.01 0.31 -0.14 -0.04 0.23 0.00 0.00 176.35 176.73 3cd7 s MET 781 N -0.51 0.98 0.03 1.70 -1.94 -1.26 -1.19 119.30 117.10 3cd7 s MET 781 Ca 0.07 -0.64 -0.23 0.00 -1.71 0.00 0.00 55.69 53.18 3cd7 s MET 781 Cb -0.12 -0.97 0.05 0.00 2.01 0.00 0.00 34.83 35.81 3cd7 s MET 781 CO 0.02 0.25 0.54 -2.00 -0.01 0.00 0.00 175.02 173.81 3cd7 s GLU 782 N -0.81 1.02 0.38 2.03 2.12 -0.27 -4.85 118.70 118.32 3cd7 s GLU 782 Ca 0.03 -0.14 -0.27 0.00 0.36 0.00 0.00 54.97 54.95 3cd7 s GLU 782 Cb -0.07 0.47 -0.09 0.00 0.26 0.00 0.00 34.13 34.70 3cd7 s GLU 782 CO 0.01 -0.36 1.26 0.00 -0.54 0.00 0.00 175.26 175.63 3cd7 s ALA 783 N -2.15 3.29 0.05 6.30 0.00 -1.26 -0.96 121.76 127.04 3cd7 s ALA 783 Ca -0.07 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.06 3cd7 s ALA 783 Cb -0.01 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 3cd7 s ALA 783 CO 0.01 -0.69 -0.04 0.45 0.00 0.00 0.00 175.76 175.48 3cd7 s SER 784 N -0.78 0.64 0.00 0.00 0.15 0.15 -4.69 113.70 109.17 3cd7 s SER 784 Ca 0.55 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 56.34 3cd7 s SER 784 Cb -0.36 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 3cd7 s SER 784 CO 0.47 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 175.06 3cd7 n GLY 785 N 0.52 -2.38 0.18 9.45 0.00 -1.26 -2.17 105.19 109.53 3cd7 n GLY 785 Ca -0.17 -1.58 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 3cd7 n GLY 785 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3cd7 h PRO 786 N 0.00 0.56 -0.60 1.61 0.11 -2.00 -3.04 132.00 128.63 3cd7 h PRO 786 Ca 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3cd7 h PRO 786 Cb 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.03 3cd7 h PRO 786 CO 0.00 0.57 0.00 0.25 -0.21 0.00 0.00 178.00 178.61 3cd7 n THR 787 N -4.64 2.45 -3.95 -1.15 -2.24 -1.26 -4.94 114.28 98.54 3cd7 n THR 787 Ca -0.01 -1.34 -0.31 0.00 -2.27 0.00 0.00 64.05 60.12 3cd7 n THR 787 Cb 0.17 -0.13 0.02 0.00 -2.10 0.00 0.00 70.33 68.28 3cd7 n THR 787 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3cd7 n ASN 788 N 0.80 -4.58 -0.00 3.42 3.02 -1.15 -4.90 115.26 111.87 3cd7 n ASN 788 Ca 0.27 -0.81 0.04 0.00 -0.03 0.00 0.00 54.58 54.05 3cd7 n ASN 788 Cb 1.10 -3.74 -0.05 0.00 -0.61 0.00 0.00 39.78 36.47 3cd7 n ASN 788 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cd7 n GLU 789 N -4.65 2.51 -3.34 3.52 1.02 -1.02 -4.53 120.64 114.16 3cd7 n GLU 789 Ca 0.04 -0.03 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 3cd7 n GLU 789 Cb 0.52 -1.02 -0.02 0.00 -0.02 0.00 0.00 31.44 30.90 3cd7 n GLU 789 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3cd7 s ASP 790 N -2.30 6.37 -0.37 1.62 1.01 -0.92 -4.02 116.67 118.05 3cd7 s ASP 790 Ca 0.00 0.59 -0.12 0.00 0.71 0.00 0.00 52.55 53.74 3cd7 s ASP 790 Cb 0.06 -2.09 0.02 0.00 1.01 0.00 0.00 42.92 41.91 3cd7 s ASP 790 CO 0.34 -0.25 0.23 -0.22 0.21 0.00 0.00 175.17 175.48 3cd7 s LEU 791 N -3.92 4.74 -0.14 1.23 2.96 -0.19 -0.67 118.68 122.70 3cd7 s LEU 791 Ca 0.42 -0.87 -0.27 0.00 -0.22 0.00 0.00 54.13 53.20 3cd7 s LEU 791 Cb -0.10 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 3cd7 s LEU 791 CO 0.33 -0.37 0.89 -0.47 -1.32 0.00 0.00 176.35 175.42 3cd7 s TYR 792 N 1.61 3.46 0.03 5.38 5.04 -0.13 -0.70 117.35 132.04 3cd7 s TYR 792 Ca 0.03 1.38 0.06 0.00 -2.44 0.00 0.00 57.07 56.11 3cd7 s TYR 792 Cb -0.19 -3.07 -0.02 0.00 0.35 0.00 0.00 41.96 39.03 3cd7 s TYR 792 CO 0.08 -0.22 -0.17 -1.50 -1.34 0.00 0.00 175.55 172.39 3cd7 s ILE 793 N 2.05 1.38 -0.02 3.14 2.07 -0.79 -1.11 121.20 127.91 3cd7 s ILE 793 Ca 0.42 -1.04 -0.15 0.00 -1.41 0.00 0.00 60.65 58.47 3cd7 s ILE 793 Cb -0.17 -1.21 0.03 0.00 0.13 0.00 0.00 42.46 41.24 3cd7 s ILE 793 CO 0.15 0.15 0.33 -0.94 -1.91 0.00 0.00 174.94 172.71 3cd7 s SER 794 N -1.03 -0.22 -0.07 4.50 1.04 -0.33 -1.79 113.70 115.79 3cd7 s SER 794 Ca 0.05 0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.66 3cd7 s SER 794 Cb -0.08 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.41 3cd7 s SER 794 CO 0.01 -0.43 -0.13 0.00 0.98 0.00 0.00 173.24 173.68 3cd7 s THR 796 N 0.74 2.64 -0.38 0.00 2.01 -0.34 -1.57 115.64 118.74 3cd7 s THR 796 Ca -0.13 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.09 3cd7 s THR 796 Cb -0.16 -2.10 0.12 0.00 0.01 0.00 0.00 72.50 70.37 3cd7 s THR 796 CO 0.03 0.52 0.17 -0.04 -0.69 0.00 0.00 174.62 174.61 3cd7 s MET 797 N 0.72 1.04 0.00 4.92 -1.94 -0.13 -1.56 119.30 122.36 3cd7 s MET 797 Ca -0.07 -1.60 0.24 0.00 -1.71 0.00 0.00 55.69 52.55 3cd7 s MET 797 Cb -0.16 -2.20 1.12 0.00 2.01 0.00 0.00 34.83 35.61 3cd7 s MET 797 CO 0.01 -1.08 1.78 -2.30 -0.01 0.00 0.00 175.02 173.42 3cd7 n PRO 798 N 4.12 0.19 -2.75 2.03 -0.02 -1.26 -1.15 135.00 136.17 3cd7 n PRO 798 Ca 0.04 0.08 -0.10 0.00 -2.02 0.00 0.00 63.50 61.50 3cd7 n PRO 798 Cb 0.38 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.39 3cd7 n PRO 798 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3cd7 n SER 799 N -1.38 0.91 -4.59 2.55 3.41 -1.23 -2.65 113.62 110.64 3cd7 n SER 799 Ca 0.09 -2.75 -0.43 0.00 -0.26 0.00 0.00 58.87 55.52 3cd7 n SER 799 Cb 0.23 -0.33 -0.02 0.00 -0.26 0.00 0.00 64.21 63.83 3cd7 n SER 799 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3cd7 s ILE 800 N -2.59 3.85 -0.35 -1.33 1.01 0.03 -3.26 121.20 118.56 3cd7 s ILE 800 Ca 0.28 0.83 -0.15 0.00 0.00 0.00 0.00 60.65 61.61 3cd7 s ILE 800 Cb 0.43 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 3cd7 s ILE 800 CO 0.01 -0.87 0.35 -1.61 0.00 0.00 0.00 174.94 172.81 3cd7 s GLU 801 N 5.16 3.49 0.13 2.79 2.02 -1.26 -0.52 118.70 130.51 3cd7 s GLU 801 Ca 0.59 -0.50 -0.20 0.00 0.02 0.00 0.00 54.97 54.88 3cd7 s GLU 801 Cb -0.13 -3.82 0.05 0.00 0.10 0.00 0.00 34.13 30.33 3cd7 s GLU 801 CO 0.30 -0.54 0.51 -1.50 0.02 0.00 0.00 175.26 174.05 3cd7 s ILE 802 N 1.97 0.03 -0.01 -1.63 2.07 -1.26 -4.90 121.20 117.46 3cd7 s ILE 802 Ca 0.11 -0.25 -0.28 0.00 -1.41 0.00 0.00 60.65 58.81 3cd7 s ILE 802 Cb -0.17 -1.06 0.09 0.00 0.13 0.00 0.00 42.46 41.46 3cd7 s ILE 802 CO 0.12 -0.14 0.81 -0.83 -1.91 0.00 0.00 174.94 172.99 3cd7 s GLY 803 N -2.63 -0.48 0.00 1.50 0.00 -1.26 -3.69 107.32 100.76 3cd7 s GLY 803 Ca 0.01 1.17 0.07 0.00 0.00 0.00 0.00 44.72 45.96 3cd7 s GLY 803 CO -0.11 0.56 0.62 -1.30 0.00 0.00 0.00 173.10 172.87 3cd7 n THR 804 N 0.14 0.00 -4.37 0.90 -2.24 -0.23 -4.83 114.28 103.66 3cd7 n THR 804 Ca -0.13 -0.47 -0.20 0.00 -2.27 0.00 0.00 64.05 60.99 3cd7 n THR 804 Cb 0.61 1.11 -0.13 0.00 -2.10 0.00 0.00 70.33 69.81 3cd7 n THR 804 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3cd7 s VAL 805 N -0.79 1.07 0.00 2.28 1.01 -1.24 -2.30 120.40 120.42 3cd7 s VAL 805 Ca 0.07 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.12 3cd7 s VAL 805 Cb 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.47 3cd7 s VAL 805 CO 0.12 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.86 3cd7 n GLY 806 N 2.01 -0.86 7.00 4.51 0.00 -1.26 -4.19 105.19 112.40 3cd7 n GLY 806 Ca -0.18 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3cd7 n GLY 806 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd7 n GLY 807 N -0.56 2.86 0.21 -0.02 0.00 -1.26 -2.52 105.19 103.91 3cd7 n GLY 807 Ca 0.00 -0.23 0.15 0.00 0.00 0.00 0.00 46.02 45.93 3cd7 n GLY 807 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3cd7 h GLY 808 N 0.00 0.00 1.55 -0.02 0.00 -1.87 -2.98 103.07 99.74 3cd7 h GLY 808 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3cd7 h GLY 808 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 3cd7 n THR 809 N -2.79 0.31 0.51 4.70 -2.24 -1.05 -2.49 114.28 111.23 3cd7 n THR 809 Ca 0.02 0.08 0.13 0.00 -2.27 0.00 0.00 64.05 62.00 3cd7 n THR 809 Cb 0.34 -0.72 0.31 0.00 -2.10 0.00 0.00 70.33 68.16 3cd7 n THR 809 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3cd7 h ASN 810 N 0.00 0.00 -3.82 3.42 2.35 -1.68 -3.41 115.58 112.44 3cd7 h ASN 810 Ca 0.00 -0.02 -0.48 0.00 -0.55 0.00 0.00 56.30 55.25 3cd7 h ASN 810 Cb 0.20 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 3cd7 h ASN 810 CO 0.00 0.01 0.29 -0.76 -1.65 0.00 0.00 177.43 175.32 3cd7 s LEU 811 N -4.93 4.32 0.06 1.61 1.43 -1.04 -4.97 118.68 115.16 3cd7 s LEU 811 Ca 0.09 1.73 -0.19 0.00 -1.03 0.00 0.00 54.13 54.73 3cd7 s LEU 811 Cb 0.11 -3.94 -0.13 0.00 0.03 0.00 0.00 46.19 42.26 3cd7 s LEU 811 CO 0.63 -0.06 1.36 -0.07 0.23 0.00 0.00 176.35 178.44 3cd7 h LEU 812 N 3.16 0.49 -0.73 1.79 3.38 -1.89 -1.08 115.31 120.42 3cd7 h LEU 812 Ca -0.47 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.02 3cd7 h LEU 812 Cb 1.19 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 3cd7 h LEU 812 CO 0.65 0.87 0.47 -0.65 0.09 0.00 0.00 178.44 179.87 3cd7 h PRO 813 N 0.11 0.98 -0.86 1.13 0.11 -1.96 -1.40 132.00 130.11 3cd7 h PRO 813 Ca 0.03 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 3cd7 h PRO 813 Cb 0.74 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.59 3cd7 h PRO 813 CO 0.05 0.66 0.49 1.96 -0.21 0.00 0.00 178.00 180.94 3cd7 h GLN 814 N 1.00 1.18 -0.12 1.05 7.50 -1.78 -2.50 115.11 121.45 3cd7 h GLN 814 Ca 0.27 -0.12 -0.05 0.00 0.50 0.00 0.00 58.65 59.24 3cd7 h GLN 814 Cb -0.09 -0.24 -0.01 0.00 0.05 0.00 0.00 27.48 27.19 3cd7 h GLN 814 CO -0.06 0.85 -0.15 1.96 -1.50 0.00 0.00 178.83 179.93 3cd7 h GLN 815 N 1.19 0.18 -0.79 1.46 4.20 -0.58 -2.43 115.11 118.35 3cd7 h GLN 815 Ca 0.30 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.94 3cd7 h GLN 815 Cb -0.00 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 3cd7 h GLN 815 CO -0.05 0.34 0.37 0.00 -0.67 0.00 0.00 178.83 178.82 3cd7 h ALA 816 N 1.67 1.02 -0.39 3.87 0.00 -0.81 0.12 119.26 124.74 3cd7 h ALA 816 Ca 0.03 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 3cd7 h ALA 816 Cb 0.38 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3cd7 h ALA 816 CO 0.02 0.59 -0.33 0.00 0.00 0.00 0.00 179.25 179.54 3cd7 h LEU 818 N 0.74 0.88 -1.61 0.00 3.38 -1.22 -2.80 115.31 114.67 3cd7 h LEU 818 Ca 0.08 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3cd7 h LEU 818 Cb 0.90 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3cd7 h LEU 818 CO 0.08 0.79 -0.09 1.56 0.09 0.00 0.00 178.44 180.87 3cd7 h GLN 819 N 0.91 0.13 -0.95 1.13 4.20 -0.55 -2.30 115.11 117.68 3cd7 h GLN 819 Ca 0.22 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.96 3cd7 h GLN 819 Cb 0.16 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.86 3cd7 h GLN 819 CO -0.02 0.24 0.62 1.98 -0.67 0.00 0.00 178.83 180.97 3cd7 h MET 820 N 0.13 1.12 -0.02 1.46 4.05 -1.00 -2.33 114.93 118.35 3cd7 h MET 820 Ca 0.03 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 3cd7 h MET 820 Cb 0.25 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 3cd7 h MET 820 CO 0.01 0.74 -0.17 1.28 0.23 0.00 0.00 176.91 179.01 3cd7 n LEU 821 N -4.46 1.68 -0.79 3.39 4.77 -0.94 -4.67 117.00 115.98 3cd7 n LEU 821 Ca 0.13 -0.55 -0.05 0.00 -0.03 0.00 0.00 56.01 55.52 3cd7 n LEU 821 Cb 0.14 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3cd7 n LEU 821 CO 0.34 0.29 -0.02 0.61 -1.33 0.00 0.00 177.39 177.29 3cd7 n GLY 822 N 1.30 0.34 0.00 -0.72 0.00 -0.88 -4.94 105.19 100.29 3cd7 n GLY 822 Ca 0.14 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3cd7 n GLY 822 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3cd7 n VAL 823 N -3.65 0.26 -1.74 1.61 0.24 -0.98 -5.03 118.33 109.03 3cd7 n VAL 823 Ca -0.03 -0.34 -0.42 0.00 -2.04 0.00 0.00 64.34 61.51 3cd7 n VAL 823 Cb 0.53 1.09 -0.01 0.00 -1.47 0.00 0.00 33.84 33.98 3cd7 n VAL 823 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3cd7 n GLN 824 N -0.13 2.67 -0.11 7.34 0.00 -1.21 -4.76 117.38 121.18 3cd7 n GLN 824 Ca 0.00 0.95 0.02 0.00 -0.00 0.00 0.00 57.00 57.96 3cd7 n GLN 824 Cb 0.30 -2.72 -0.00 0.00 0.00 0.00 0.00 30.24 27.82 3cd7 n GLN 824 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3cd7 n GLY 825 N 1.95 -1.64 3.77 1.69 0.00 -0.97 -4.85 105.19 105.13 3cd7 n GLY 825 Ca 0.08 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.46 3cd7 n GLY 825 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cd7 s ALA 826 N -1.49 3.25 -0.48 4.61 0.00 -1.26 -4.70 121.76 121.69 3cd7 s ALA 826 Ca 0.00 0.90 -0.19 0.00 0.00 0.00 0.00 51.96 52.67 3cd7 s ALA 826 Cb 0.00 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.83 3cd7 s ALA 826 CO 0.00 -0.33 0.58 0.00 0.00 0.00 0.00 175.76 176.01 3cd7 h LYS 828 N 8.92 0.36 0.00 0.00 6.56 -2.00 -2.85 116.57 127.56 3cd7 h LYS 828 Ca -0.27 -0.11 0.00 0.00 -1.06 0.00 0.00 60.65 59.21 3cd7 h LYS 828 Cb 1.10 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 3cd7 h LYS 828 CO 0.92 0.55 -0.19 -0.40 -2.06 0.00 0.00 179.45 178.27 3cd7 n ASP 829 N -4.69 0.21 -3.05 0.86 5.75 -1.26 -4.39 116.55 109.98 3cd7 n ASP 829 Ca -0.04 0.22 -0.15 0.00 -0.01 0.00 0.00 54.79 54.81 3cd7 n ASP 829 Cb 0.23 -0.22 -0.04 0.00 -1.03 0.00 0.00 41.12 40.06 3cd7 n ASP 829 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3cd7 n ASN 830 N -1.52 -2.03 -4.68 -1.12 5.15 -1.19 -5.13 115.26 104.73 3cd7 n ASN 830 Ca 0.06 -2.69 -0.46 0.00 -0.60 0.00 0.00 54.58 50.90 3cd7 n ASN 830 Cb 0.34 0.67 -0.04 0.00 -0.53 0.00 0.00 39.78 40.22 3cd7 n ASN 830 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3cd7 n PRO 831 N 2.80 2.29 0.00 1.20 -0.02 -1.08 -1.87 135.00 138.32 3cd7 n PRO 831 Ca 0.23 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 3cd7 n PRO 831 Cb 0.53 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3cd7 n PRO 831 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cd7 n GLY 832 N 3.82 0.46 0.24 -1.23 0.00 -1.25 -4.85 105.19 102.38 3cd7 n GLY 832 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 3cd7 n GLY 832 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3cd7 h GLU 833 N 3.75 0.31 -0.33 1.61 4.57 -1.69 -1.39 114.58 121.42 3cd7 h GLU 833 Ca 0.00 -0.08 -0.16 0.00 -1.18 0.00 0.00 59.36 57.94 3cd7 h GLU 833 Cb 0.00 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.55 3cd7 h GLU 833 CO 0.00 0.47 -0.42 -0.91 -1.18 0.00 0.00 179.01 176.98 3cd7 h ASN 834 N 0.29 0.93 0.06 1.04 2.35 -1.88 -0.97 115.58 117.39 3cd7 h ASN 834 Ca 0.05 -0.49 -0.18 0.00 -0.55 0.00 0.00 56.30 55.13 3cd7 h ASN 834 Cb 0.47 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 3cd7 h ASN 834 CO 0.03 1.24 -0.63 0.00 -1.65 0.00 0.00 177.43 176.41 3cd7 h ALA 835 N 0.72 0.60 -0.47 -0.83 0.00 -1.77 -1.98 119.26 115.53 3cd7 h ALA 835 Ca 0.04 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3cd7 h ALA 835 Cb 1.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3cd7 h ALA 835 CO 0.10 0.71 0.29 0.00 0.00 0.00 0.00 179.25 180.35 3cd7 h ARG 836 N 0.41 0.63 -0.76 0.00 3.08 -1.24 -1.35 114.38 115.16 3cd7 h ARG 836 Ca -0.01 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3cd7 h ARG 836 Cb 1.20 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.08 3cd7 h ARG 836 CO 0.12 0.45 0.33 0.37 -1.07 0.00 0.00 179.97 180.18 3cd7 h GLN 837 N 0.63 1.11 -0.30 0.04 5.75 -1.10 -1.60 115.11 119.65 3cd7 h GLN 837 Ca 0.17 -0.18 -0.06 0.00 -0.15 0.00 0.00 58.65 58.42 3cd7 h GLN 837 Cb -0.02 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.32 3cd7 h GLN 837 CO -0.03 0.88 -0.09 1.25 -2.65 0.00 0.00 178.83 178.19 3cd7 h LEU 838 N 1.08 0.47 -0.57 -2.39 5.85 -1.12 -1.73 115.31 116.89 3cd7 h LEU 838 Ca 0.26 -0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 3cd7 h LEU 838 Cb 0.16 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3cd7 h LEU 838 CO -0.03 0.60 -0.13 0.00 -0.34 0.00 0.00 178.44 178.54 3cd7 h ALA 839 N 1.45 0.77 -0.19 1.25 0.00 -0.58 -1.76 119.26 120.21 3cd7 h ALA 839 Ca 0.09 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 3cd7 h ALA 839 Cb 0.44 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3cd7 h ALA 839 CO 0.02 0.67 -0.36 0.00 0.00 0.00 0.00 179.25 179.58 3cd7 h ARG 840 N 0.89 0.41 -0.28 0.00 3.08 -0.96 -2.14 114.38 115.39 3cd7 h ARG 840 Ca 0.13 -0.19 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 3cd7 h ARG 840 Cb 0.69 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3cd7 h ARG 840 CO 0.05 0.72 -0.41 0.82 -1.07 0.00 0.00 179.97 180.08 3cd7 h ILE 841 N 0.35 1.29 -0.47 2.04 2.04 -1.08 -1.51 117.51 120.17 3cd7 h ILE 841 Ca 0.04 -1.59 -0.01 0.00 1.00 0.00 0.00 64.86 64.29 3cd7 h ILE 841 Cb 0.80 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 3cd7 h ILE 841 CO 0.06 0.51 0.24 0.58 0.00 0.00 0.00 178.15 179.55 3cd7 h VAL 842 N 0.55 1.18 -0.13 1.67 2.07 -1.07 -0.47 116.25 120.05 3cd7 h VAL 842 Ca 0.04 -0.48 -0.17 0.00 0.82 0.00 0.00 66.70 66.92 3cd7 h VAL 842 Cb 0.95 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3cd7 h VAL 842 CO 0.09 0.19 -0.63 0.00 0.02 0.00 0.00 177.57 177.24 3cd7 h GLY 844 N 1.18 0.75 1.58 0.00 0.00 -1.18 -2.10 103.07 103.30 3cd7 h GLY 844 Ca -0.01 -0.66 -0.11 0.00 0.00 0.00 0.00 47.33 46.55 3cd7 h GLY 844 CO 0.11 0.60 -0.34 -0.84 0.00 0.00 0.00 176.54 176.06 3cd7 h THR 845 N 0.47 1.29 -0.57 4.70 2.02 -1.02 -1.76 112.91 118.03 3cd7 h THR 845 Ca 0.08 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.82 3cd7 h THR 845 Cb 0.66 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 3cd7 h THR 845 CO 0.04 0.45 0.37 0.58 0.37 0.00 0.00 175.52 177.34 3cd7 h VAL 846 N 0.41 1.15 -0.29 3.16 2.07 -1.00 -1.13 116.25 120.62 3cd7 h VAL 846 Ca 0.05 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 3cd7 h VAL 846 Cb 0.80 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3cd7 h VAL 846 CO 0.06 0.15 -0.10 -0.03 0.02 0.00 0.00 177.57 177.68 3cd7 h MET 847 N 0.77 0.48 -0.09 1.57 -1.53 -1.04 -0.44 114.93 114.66 3cd7 h MET 847 Ca 0.21 -0.13 -0.00 0.00 -3.44 0.00 0.00 59.70 56.34 3cd7 h MET 847 Cb -0.07 -0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 30.92 3cd7 h MET 847 CO -0.04 0.58 0.04 0.00 0.14 0.00 0.00 176.91 177.63 3cd7 h ALA 848 N 1.45 0.12 -0.89 0.39 0.00 -0.89 -1.96 119.26 117.48 3cd7 h ALA 848 Ca 0.09 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3cd7 h ALA 848 Cb 0.45 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 3cd7 h ALA 848 CO 0.02 -0.30 0.55 0.78 0.00 0.00 0.00 179.25 180.30 3cd7 h GLY 849 N -0.01 1.36 0.87 0.00 0.00 -0.72 -2.23 103.07 102.34 3cd7 h GLY 849 Ca 0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 3cd7 h GLY 849 CO -0.00 0.24 0.06 0.83 0.00 0.00 0.00 176.54 177.67 3cd7 h GLU 850 N 0.98 0.32 -0.41 4.80 4.39 -0.99 -2.06 114.58 121.60 3cd7 h GLU 850 Ca 0.40 -0.07 0.09 0.00 0.34 0.00 0.00 59.36 60.12 3cd7 h GLU 850 Cb 0.23 -0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 28.75 3cd7 h GLU 850 CO -0.19 0.42 -0.24 -0.07 -1.16 0.00 0.00 179.01 177.77 3cd7 h LEU 851 N 0.15 -0.81 0.03 1.33 3.38 -0.97 -0.75 115.31 117.68 3cd7 h LEU 851 Ca 0.07 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3cd7 h LEU 851 Cb 0.24 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3cd7 h LEU 851 CO -0.00 -0.26 -0.02 -1.28 0.09 0.00 0.00 178.44 176.97 3cd7 h SER 852 N -0.16 -0.04 -0.76 -0.43 0.87 -1.33 -2.58 113.55 109.11 3cd7 h SER 852 Ca 0.20 -0.54 -0.02 0.00 -1.23 0.00 0.00 61.79 60.19 3cd7 h SER 852 Cb 0.47 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.41 3cd7 h SER 852 CO -0.51 0.54 0.38 0.25 -0.53 0.00 0.00 176.83 176.96 3cd7 h LEU 853 N -0.63 0.99 -1.27 2.23 5.85 -1.34 -1.26 115.31 119.88 3cd7 h LEU 853 Ca -0.00 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 3cd7 h LEU 853 Cb 0.57 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3cd7 h LEU 853 CO 0.01 0.83 -0.25 0.24 -0.34 0.00 0.00 178.44 178.93 3cd7 h MET 854 N 1.07 0.18 -0.05 1.25 2.86 -1.17 -0.65 114.93 118.42 3cd7 h MET 854 Ca 0.26 -0.06 -0.23 0.00 -2.06 0.00 0.00 59.70 57.62 3cd7 h MET 854 Cb 0.10 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.75 3cd7 h MET 854 CO -0.04 0.42 -0.90 0.00 1.06 0.00 0.00 176.91 177.46 3cd7 h ALA 855 N 1.58 0.33 -0.47 6.32 0.00 -1.16 -1.26 119.26 124.61 3cd7 h ALA 855 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3cd7 h ALA 855 Cb 0.53 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3cd7 h ALA 855 CO 0.04 0.74 0.29 0.00 0.00 0.00 0.00 179.25 180.32 3cd7 h ALA 856 N 0.63 0.59 -0.34 0.00 0.00 -0.73 -1.65 119.26 117.77 3cd7 h ALA 856 Ca -0.08 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 3cd7 h ALA 856 Cb 1.52 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3cd7 h ALA 856 CO 0.17 0.06 -0.31 -0.07 0.00 0.00 0.00 179.25 179.11 3cd7 h LEU 857 N 0.62 0.75 -0.86 0.00 3.38 -1.15 -2.08 115.31 115.97 3cd7 h LEU 857 Ca 0.17 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 3cd7 h LEU 857 Cb -0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3cd7 h LEU 857 CO -0.03 1.00 -0.08 0.00 0.09 0.00 0.00 178.44 179.42 3cd7 h ALA 858 N 1.05 1.05 0.12 1.53 0.00 -0.96 -3.22 119.26 118.82 3cd7 h ALA 858 Ca 0.07 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 3cd7 h ALA 858 Cb 0.82 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.46 3cd7 h ALA 858 CO 0.07 0.58 -0.83 0.00 0.00 0.00 0.00 179.25 179.07 3cd7 h ALA 859 N 1.22 -0.07 0.00 0.00 0.00 -1.28 -3.50 119.26 115.63 3cd7 h ALA 859 Ca 0.12 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3cd7 h ALA 859 Cb 0.54 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3cd7 h ALA 859 CO 0.03 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.09 3cd7 n GLY 860 N 1.55 -1.87 3.02 0.00 0.00 -0.79 -5.12 105.19 101.99 3cd7 n GLY 860 Ca -0.13 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.99 3cd7 n GLY 860 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89