#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cda h ALA 459 N 0.00 0.94 0.00 4.61 0.00 -1.94 -3.27 119.26 119.60 3cda h ALA 459 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3cda h ALA 459 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3cda h ALA 459 CO 0.00 0.25 -0.11 -0.22 0.00 0.00 0.00 179.25 179.18 3cda h LYS 460 N 0.00 0.00 0.00 0.00 3.64 -2.00 -2.40 116.57 115.81 3cda h LYS 460 Ca -0.00 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 3cda h LYS 460 Cb 0.89 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.68 3cda h LYS 460 CO 0.03 0.11 -1.21 0.74 -2.27 0.00 0.00 179.45 176.84 3cda h PHE 461 N 0.00 0.00 -4.20 1.91 -1.00 -2.09 -3.46 116.94 108.10 3cda h PHE 461 Ca -0.00 0.00 -0.47 0.00 2.81 0.00 0.00 57.97 60.31 3cda h PHE 461 Cb 0.26 0.00 0.13 0.00 3.61 0.00 0.00 35.95 39.95 3cda h PHE 461 CO 0.00 0.61 0.30 -0.51 -1.61 0.00 0.00 178.31 177.09 3cda s LEU 462 N -5.99 2.20 0.37 1.54 1.43 -0.90 -5.10 118.68 112.22 3cda s LEU 462 Ca -0.01 1.16 0.08 0.00 -1.03 0.00 0.00 54.13 54.32 3cda s LEU 462 Cb 0.08 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 3cda s LEU 462 CO 0.80 -2.41 0.27 -0.94 0.23 0.00 0.00 176.35 174.30 3cda s SER 463 N -3.87 5.00 0.16 2.29 1.04 -1.26 -4.99 113.70 112.07 3cda s SER 463 Ca 0.63 -0.68 -0.16 0.00 0.48 0.00 0.00 55.95 56.22 3cda s SER 463 Cb -0.15 -0.76 0.03 0.00 0.10 0.00 0.00 66.02 65.23 3cda s SER 463 CO 0.54 -0.44 1.81 0.44 0.98 0.00 0.00 173.24 176.57 3cda h ASP 464 N 1.27 0.52 -0.04 7.02 3.32 -1.99 -2.63 116.42 123.89 3cda h ASP 464 Ca -0.43 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 56.60 3cda h ASP 464 Cb 1.26 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 3cda h ASP 464 CO 0.60 0.40 0.04 0.00 -1.72 0.00 0.00 179.24 178.55 3cda h ALA 465 N 1.14 1.90 0.10 3.45 0.00 -2.01 -3.09 119.26 120.76 3cda h ALA 465 Ca 0.16 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.75 3cda h ALA 465 Cb -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3cda h ALA 465 CO -0.03 -0.06 -1.64 0.93 0.00 0.00 0.00 179.25 178.45 3cda h GLU 466 N 0.00 0.22 -0.20 0.00 5.08 -1.88 -3.26 114.58 114.53 3cda h GLU 466 Ca 0.02 -0.37 -0.13 0.00 -1.00 0.00 0.00 59.36 57.88 3cda h GLU 466 Cb 0.09 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3cda h GLU 466 CO -0.00 1.04 -0.43 0.82 -1.00 0.00 0.00 179.01 179.44 3cda h ILE 467 N 0.06 1.31 -0.63 3.13 2.04 -1.42 -2.45 117.51 119.55 3cda h ILE 467 Ca -0.28 -1.60 -0.04 0.00 1.00 0.00 0.00 64.86 63.94 3cda h ILE 467 Cb 2.02 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 39.69 3cda h ILE 467 CO 0.14 0.50 0.23 0.40 0.00 0.00 0.00 178.15 179.41 3cda h ILE 468 N 0.39 1.23 -0.85 -0.67 2.04 -1.69 -2.70 117.51 115.27 3cda h ILE 468 Ca 0.03 -0.74 0.19 0.00 1.00 0.00 0.00 64.86 65.34 3cda h ILE 468 Cb 0.91 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 3cda h ILE 468 CO 0.08 0.29 0.57 -0.61 0.00 0.00 0.00 178.15 178.48 3cda h GLN 469 N 0.91 0.35 0.14 2.37 4.15 -1.48 -1.22 115.11 120.33 3cda h GLN 469 Ca 0.21 -0.02 -0.23 0.00 0.77 0.00 0.00 58.65 59.38 3cda h GLN 469 Cb 0.21 -0.08 0.03 0.00 0.21 0.00 0.00 27.48 27.85 3cda h GLN 469 CO -0.01 0.23 -1.00 1.25 -1.93 0.00 0.00 178.83 177.37 3cda h LEU 470 N 0.37 0.64 -0.82 -2.39 5.85 -1.48 -2.99 115.31 114.49 3cda h LEU 470 Ca 0.43 -0.89 -0.11 0.00 0.84 0.00 0.00 57.88 58.15 3cda h LEU 470 Cb 1.12 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 3cda h LEU 470 CO -0.14 1.47 -0.36 0.58 -0.34 0.00 0.00 178.44 179.65 3cda h VAL 471 N -0.09 1.29 -0.49 1.05 2.07 -1.33 -2.59 116.25 116.16 3cda h VAL 471 Ca -0.16 -1.46 -0.07 0.00 0.82 0.00 0.00 66.70 65.82 3cda h VAL 471 Cb 1.75 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 3cda h VAL 471 CO 0.19 0.46 -0.00 0.78 0.02 0.00 0.00 177.57 179.01 3cda h ASN 472 N 0.39 0.78 0.17 0.57 -0.26 -1.35 -2.75 115.58 113.12 3cda h ASN 472 Ca 0.04 -0.19 0.00 0.00 -0.56 0.00 0.00 56.30 55.59 3cda h ASN 472 Cb 0.81 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 3cda h ASN 472 CO 0.07 0.85 0.00 0.00 -1.06 0.00 0.00 177.43 177.28 3cda n ALA 473 N -2.48 2.49 -1.22 -0.83 0.00 -1.00 -4.90 120.51 112.57 3cda n ALA 473 Ca 0.03 -0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 3cda n ALA 473 Cb 0.30 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 3cda n ALA 473 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3cda n LYS 474 N -1.09 -0.81 -0.49 0.00 5.02 -1.04 -4.89 118.16 114.85 3cda n LYS 474 Ca 0.19 0.70 -0.03 0.00 -2.02 0.00 0.00 58.31 57.14 3cda n LYS 474 Cb 0.14 -4.59 0.14 0.00 -0.02 0.00 0.00 35.03 30.70 3cda n LYS 474 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3cda n HIS 475 N -2.64 1.19 -2.33 2.13 8.25 -1.05 -5.05 115.22 115.74 3cda n HIS 475 Ca -0.08 -0.71 0.00 0.00 -0.26 0.00 0.00 57.72 56.68 3cda n HIS 475 Cb 0.32 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.00 3cda n HIS 475 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 3cda n ILE 476 N 0.03 0.00 0.00 1.59 3.06 -1.26 -4.93 119.36 117.85 3cda n ILE 476 Ca 0.20 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.45 3cda n ILE 476 Cb 0.86 0.00 0.00 0.00 0.54 0.00 0.00 39.64 41.04 3cda n ILE 476 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 3cda n LEU 484 N 0.00 0.00 -4.90 9.51 0.00 -1.26 -5.03 117.00 115.32 3cda n LEU 484 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.72 3cda n LEU 484 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.38 3cda n LEU 484 CO 0.00 0.00 0.13 -0.63 0.00 0.00 0.00 177.39 176.89 3cda s ILE 485 N 0.00 5.08 -1.60 1.96 1.01 -1.26 -4.94 121.20 121.44 3cda s ILE 485 Ca 0.00 0.02 0.28 0.00 0.00 0.00 0.00 60.65 60.95 3cda s ILE 485 Cb 0.00 -3.70 0.37 0.00 0.01 0.00 0.00 42.46 39.14 3cda s ILE 485 CO 0.00 -0.19 1.76 -0.62 0.00 0.00 0.00 174.94 175.89 3cda n GLU 486 N -0.58 0.65 -3.93 2.79 4.71 -1.26 -4.80 120.64 118.23 3cda n GLU 486 Ca -0.02 -0.28 -0.14 0.00 -0.01 0.00 0.00 57.16 56.71 3cda n GLU 486 Cb 0.53 -1.49 -0.15 0.00 -1.01 0.00 0.00 31.44 29.32 3cda n GLU 486 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 3cda s THR 487 N -2.54 0.11 0.09 2.62 -1.32 -1.26 -5.07 115.64 108.26 3cda s THR 487 Ca 0.26 -0.01 -0.17 0.00 -1.21 0.00 0.00 61.69 60.56 3cda s THR 487 Cb 0.20 -0.13 -0.08 0.00 -1.51 0.00 0.00 72.50 70.97 3cda s THR 487 CO 0.50 0.06 1.48 0.45 -2.21 0.00 0.00 174.62 174.90 3cda h HIS 488 N 6.44 0.60 0.00 9.09 3.86 -1.98 -2.73 115.15 130.42 3cda h HIS 488 Ca -0.31 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 58.76 3cda h HIS 488 Cb 1.18 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.51 3cda h HIS 488 CO 0.44 0.75 -0.07 1.49 0.86 0.00 0.00 177.93 181.40 3cda h GLU 489 N 0.28 0.00 0.11 2.45 4.81 -1.97 -2.38 114.58 117.88 3cda h GLU 489 Ca 0.07 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.03 3cda h GLU 489 Cb 0.56 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 3cda h GLU 489 CO 0.03 0.07 -1.23 -0.09 -0.73 0.00 0.00 179.01 177.06 3cda h ARG 490 N 0.00 0.23 -0.71 1.92 2.43 -1.97 -2.76 114.38 113.53 3cda h ARG 490 Ca -0.00 -0.40 0.06 0.00 -0.81 0.00 0.00 59.98 58.84 3cda h ARG 490 Cb 0.14 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 3cda h ARG 490 CO 0.01 1.18 0.47 0.78 -1.51 0.00 0.00 179.97 180.90 3cda h GLY 491 N 1.80 0.93 1.02 2.80 0.00 -1.13 -0.89 103.07 107.59 3cda h GLY 491 Ca -0.12 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 46.78 3cda h GLY 491 CO 0.19 0.22 -0.29 -2.08 0.00 0.00 0.00 176.54 174.58 3cda h VAL 492 N 0.73 1.29 -0.21 4.60 2.07 -1.46 -2.44 116.25 120.83 3cda h VAL 492 Ca 0.31 -1.45 0.01 0.00 0.82 0.00 0.00 66.70 66.39 3cda h VAL 492 Cb 0.26 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3cda h VAL 492 CO -0.10 0.47 0.10 -1.28 0.02 0.00 0.00 177.57 176.79 3cda h SER 493 N 0.56 0.15 0.40 0.57 0.87 -1.06 -1.25 113.55 113.79 3cda h SER 493 Ca 0.06 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 3cda h SER 493 Cb 0.86 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 3cda h SER 493 CO 0.07 0.12 -0.36 0.40 -0.53 0.00 0.00 176.83 176.53 3cda h ILE 494 N 0.22 1.21 -0.15 2.23 2.04 -1.22 -2.20 117.51 119.64 3cda h ILE 494 Ca 0.09 -1.25 -0.22 0.00 1.00 0.00 0.00 64.86 64.48 3cda h ILE 494 Cb 0.02 1.68 0.01 0.00 -0.74 0.00 0.00 36.82 37.79 3cda h ILE 494 CO -0.06 0.35 -0.77 -0.09 0.00 0.00 0.00 178.15 177.58 3cda h ARG 495 N 0.00 0.75 -0.52 2.37 2.43 -1.11 -1.87 114.38 116.44 3cda h ARG 495 Ca -0.00 -0.61 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 3cda h ARG 495 Cb 0.65 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 3cda h ARG 495 CO 0.05 1.22 0.33 0.00 -1.51 0.00 0.00 179.97 180.06 3cda h ARG 496 N 0.52 0.69 0.10 0.20 3.08 -0.88 -0.63 114.38 117.47 3cda h ARG 496 Ca -0.05 -0.05 -0.26 0.00 0.07 0.00 0.00 59.98 59.69 3cda h ARG 496 Cb 1.39 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 3cda h ARG 496 CO 0.16 0.47 -1.19 1.96 -1.07 0.00 0.00 179.97 180.29 3cda h GLN 497 N 0.71 0.24 0.15 0.04 4.20 -1.28 0.10 115.11 119.27 3cda h GLN 497 Ca 0.19 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 3cda h GLN 497 Cb -0.06 0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3cda h GLN 497 CO -0.04 1.18 -0.07 -0.07 -0.67 0.00 0.00 178.83 179.16 3cda h LEU 498 N 0.07 -0.17 -0.84 1.46 3.38 -1.12 -2.93 115.31 115.16 3cda h LEU 498 Ca -0.11 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.77 3cda h LEU 498 Cb 1.92 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 42.66 3cda h LEU 498 CO 0.19 0.03 0.52 0.25 0.09 0.00 0.00 178.44 179.53 3cda h LEU 499 N -0.38 0.83 -1.23 1.67 5.85 -1.14 -2.76 115.31 118.15 3cda h LEU 499 Ca -0.02 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.87 3cda h LEU 499 Cb 0.30 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 3cda h LEU 499 CO 0.03 0.54 0.60 -1.28 -0.34 0.00 0.00 178.44 178.00 3cda h SER 500 N 0.97 0.68 0.80 1.25 0.87 -0.67 -1.21 113.55 116.24 3cda h SER 500 Ca 0.36 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 3cda h SER 500 Cb 0.13 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3cda h SER 500 CO -0.16 0.31 0.00 0.11 -0.53 0.00 0.00 176.83 176.57 3cda h LYS 501 N 0.70 0.00 -0.00 2.24 1.57 -1.30 -3.01 116.57 116.76 3cda h LYS 501 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 3cda h LYS 501 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3cda h LYS 501 CO -0.25 0.00 -0.70 1.63 -0.57 0.00 0.00 179.45 179.57 3cda n LYS 502 N -2.69 0.32 -3.63 3.15 5.02 -0.46 -4.96 118.16 114.91 3cda n LYS 502 Ca 0.01 -0.25 -0.33 0.00 -2.02 0.00 0.00 58.31 55.73 3cda n LYS 502 Cb 0.25 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.72 3cda n LYS 502 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3cda s LEU 503 N -2.85 4.29 0.17 -0.35 1.43 -1.14 -5.00 118.68 115.24 3cda s LEU 503 Ca 0.13 0.67 -0.10 0.00 -1.03 0.00 0.00 54.13 53.80 3cda s LEU 503 Cb 0.17 -3.20 0.04 0.00 0.03 0.00 0.00 46.19 43.23 3cda s LEU 503 CO 0.73 0.09 1.61 0.77 0.23 0.00 0.00 176.35 179.78 3cda h SER 504 N 3.13 1.05 -4.11 2.29 4.64 -1.93 -3.34 113.55 115.28 3cda h SER 504 Ca -0.47 -0.34 -0.71 0.00 -0.47 0.00 0.00 61.79 59.80 3cda h SER 504 Cb 1.17 -0.28 -0.34 0.00 -0.31 0.00 0.00 62.40 62.64 3cda h SER 504 CO 0.70 1.14 -0.29 -1.61 -0.87 0.00 0.00 176.83 175.90 3cda s GLU 505 N -4.90 2.74 0.48 4.77 2.02 -1.26 -4.95 118.70 117.60 3cda s GLU 505 Ca -0.12 -2.57 0.18 0.00 0.02 0.00 0.00 54.97 52.49 3cda s GLU 505 Cb 0.13 -3.84 1.19 0.00 0.10 0.00 0.00 34.13 31.72 3cda s GLU 505 CO 0.86 -1.19 2.05 -1.00 0.02 0.00 0.00 175.26 176.00 3cda h PRO 506 N 7.06 0.00 0.00 0.39 0.13 -1.78 -2.56 132.00 135.25 3cda h PRO 506 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3cda h PRO 506 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3cda h PRO 506 CO 0.72 0.14 0.00 -1.13 -0.23 0.00 0.00 178.00 177.50 3cda n SER 507 N -4.16 0.00 -0.12 1.44 3.41 -1.26 -3.01 113.62 109.91 3cda n SER 507 Ca -0.02 0.22 0.20 0.00 -0.26 0.00 0.00 58.87 59.00 3cda n SER 507 Cb 0.21 -0.38 0.60 0.00 -0.26 0.00 0.00 64.21 64.39 3cda n SER 507 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3cda h SER 508 N 0.00 0.20 1.22 4.04 4.64 -1.88 -2.75 113.55 119.02 3cda h SER 508 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3cda h SER 508 Cb 0.24 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3cda h SER 508 CO 0.00 0.10 0.00 -0.07 -0.87 0.00 0.00 176.83 175.99 3cda h LEU 509 N 0.21 0.00 -2.30 5.97 4.07 -1.78 -3.37 115.31 118.11 3cda h LEU 509 Ca 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.31 3cda h LEU 509 Cb 1.08 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.82 3cda h LEU 509 CO -0.07 0.00 -0.04 1.56 -1.08 0.00 0.00 178.44 178.81 3cda h GLN 510 N 0.00 0.00 -0.02 1.13 4.20 -1.74 -2.09 115.11 116.59 3cda h GLN 510 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3cda h GLN 510 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3cda h GLN 510 CO 0.00 0.04 -0.06 0.66 -0.67 0.00 0.00 178.83 178.80 3cda n TYR 511 N -3.81 0.00 -2.56 2.96 4.02 -1.26 -4.80 117.16 111.71 3cda n TYR 511 Ca -0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.44 3cda n TYR 511 Cb 0.13 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.42 3cda n TYR 511 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3cda s LEU 512 N -1.45 3.42 0.78 7.72 2.96 -0.79 -5.01 118.68 126.30 3cda s LEU 512 Ca 0.18 0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 54.06 3cda s LEU 512 Cb 0.13 -3.11 0.06 0.00 0.50 0.00 0.00 46.19 43.78 3cda s LEU 512 CO 0.23 -1.54 1.10 -2.16 -1.32 0.00 0.00 176.35 172.67 3cda s PRO 513 N 5.08 2.18 0.00 0.98 0.04 -1.26 -4.86 135.00 137.16 3cda s PRO 513 Ca 0.43 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.71 3cda s PRO 513 Cb -0.08 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.58 3cda s PRO 513 CO 0.25 -1.71 0.00 2.48 0.04 0.00 0.00 177.00 178.05 3cda n TYR 514 N -3.47 0.00 -1.85 0.56 0.18 -1.26 -2.12 117.16 109.19 3cda n TYR 514 Ca 0.10 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.53 3cda n TYR 514 Cb 0.53 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.53 3cda n TYR 514 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3cda s ARG 515 N -0.39 2.84 -1.59 -3.48 0.52 -1.26 -3.91 118.95 111.69 3cda s ARG 515 Ca 0.00 1.56 -0.12 0.00 -0.52 0.00 0.00 55.73 56.65 3cda s ARG 515 Cb 0.00 -1.94 0.10 0.00 0.52 0.00 0.00 34.95 33.63 3cda s ARG 515 CO 0.00 -1.25 0.72 -0.25 0.02 0.00 0.00 175.30 174.54 3cda n ASP 516 N -2.10 -2.70 -4.53 0.23 8.00 -1.26 -4.98 116.55 109.21 3cda n ASP 516 Ca 0.12 -0.97 -0.31 0.00 0.71 0.00 0.00 54.79 54.34 3cda n ASP 516 Cb 0.51 -3.06 -0.11 0.00 -0.02 0.00 0.00 41.12 38.44 3cda n ASP 516 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3cda s TYR 517 N -3.49 2.71 -1.10 1.24 5.04 -1.25 -5.06 117.35 115.44 3cda s TYR 517 Ca 0.51 -0.16 -0.20 0.00 -2.44 0.00 0.00 57.07 54.77 3cda s TYR 517 Cb -0.27 -1.51 0.07 0.00 0.35 0.00 0.00 41.96 40.60 3cda s TYR 517 CO 0.90 0.33 1.49 1.21 -1.34 0.00 0.00 175.55 178.14 3cda s ASN 518 N -1.59 6.65 0.14 4.32 3.04 -1.26 -4.81 114.94 121.43 3cda s ASN 518 Ca 0.17 -1.90 0.26 0.00 0.04 0.00 0.00 52.86 51.42 3cda s ASN 518 Cb -0.11 -2.54 0.94 0.00 -1.54 0.00 0.00 41.25 38.00 3cda s ASN 518 CO 0.08 -1.31 1.78 -1.22 -3.04 0.00 0.00 177.10 173.39 3cda n TYR 519 N 8.24 0.59 -0.15 0.43 4.02 -1.26 -3.50 117.16 125.54 3cda n TYR 519 Ca 0.36 0.19 -0.00 0.00 -0.01 0.00 0.00 57.90 58.44 3cda n TYR 519 Cb 0.49 -0.80 0.25 0.00 -0.02 0.00 0.00 39.34 39.26 3cda n TYR 519 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3cda h SER 520 N 0.00 0.76 1.16 7.72 4.64 -1.95 -1.16 113.55 124.72 3cda h SER 520 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3cda h SER 520 Cb 0.58 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3cda h SER 520 CO 0.00 0.64 0.00 0.18 -0.87 0.00 0.00 176.83 176.78 3cda n LEU 521 N -4.36 0.72 -0.05 5.97 4.77 -1.23 -3.52 117.00 119.30 3cda n LEU 521 Ca 0.06 0.61 -0.18 0.00 -0.03 0.00 0.00 56.01 56.46 3cda n LEU 521 Cb 0.12 -0.43 -0.13 0.00 -2.33 0.00 0.00 43.42 40.65 3cda n LEU 521 CO 0.38 -0.32 -0.98 0.52 -1.33 0.00 0.00 177.39 175.66 3cda n VAL 522 N -2.21 1.64 -2.38 4.08 0.31 -0.83 -4.72 118.33 114.23 3cda n VAL 522 Ca 0.04 -0.66 -0.38 0.00 -0.01 0.00 0.00 64.34 63.33 3cda n VAL 522 Cb 0.35 -1.46 -0.03 0.00 -0.91 0.00 0.00 33.84 31.78 3cda n VAL 522 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3cda s MET 523 N -2.55 3.11 0.00 5.55 -1.94 -0.50 -2.15 119.30 120.82 3cda s MET 523 Ca -0.23 -0.36 0.00 0.00 -1.71 0.00 0.00 55.69 53.39 3cda s MET 523 Cb 0.07 -4.71 0.00 0.00 2.01 0.00 0.00 34.83 32.20 3cda s MET 523 CO 0.73 -2.47 0.00 0.41 -0.01 0.00 0.00 175.02 173.68 3cda n GLY 524 N 6.12 2.22 0.06 -0.03 0.00 -1.26 -4.96 105.19 107.34 3cda n GLY 524 Ca 0.21 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 3cda n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cda n ALA 525 N 0.00 1.82 -0.01 4.61 0.00 -1.04 -4.87 120.51 121.03 3cda n ALA 525 Ca 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 53.44 52.65 3cda n ALA 525 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 19.45 19.33 3cda n ALA 525 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cda s GLU 528 N -0.25 1.38 -1.38 0.00 2.56 -1.26 -4.46 118.70 115.29 3cda s GLU 528 Ca -0.03 -1.39 -0.04 0.00 0.00 0.00 0.00 54.97 53.52 3cda s GLU 528 Cb -0.03 -1.72 0.02 0.00 2.00 0.00 0.00 34.13 34.40 3cda s GLU 528 CO 0.02 0.39 0.76 -1.71 -0.56 0.00 0.00 175.26 174.16 3cda n ASN 529 N 0.64 -2.13 -4.72 -1.70 2.85 -1.26 -4.92 115.26 104.01 3cda n ASN 529 Ca -0.16 -0.82 -0.42 0.00 -0.11 0.00 0.00 54.58 53.07 3cda n ASN 529 Cb 0.55 -3.93 -0.03 0.00 1.24 0.00 0.00 39.78 37.60 3cda n ASN 529 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3cda s VAL 530 N -3.59 3.87 0.00 3.44 1.01 -1.26 -4.93 120.40 118.94 3cda s VAL 530 Ca 0.19 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.61 3cda s VAL 530 Cb -0.10 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.36 3cda s VAL 530 CO 0.82 0.17 0.70 2.30 0.00 0.00 0.00 175.10 179.09 3cda n ILE 531 N 3.27 0.47 -1.82 2.22 -5.35 -1.26 -4.63 119.36 112.26 3cda n ILE 531 Ca 0.07 -0.67 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 3cda n ILE 531 Cb 0.46 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.19 3cda n ILE 531 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3cda n GLY 532 N -0.24 0.02 3.22 3.28 0.00 -1.26 -4.78 105.19 105.43 3cda n GLY 532 Ca 0.00 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 3cda n GLY 532 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3cda s TYR 533 N -3.29 0.12 -0.38 1.61 -0.85 -0.90 -4.96 117.35 108.70 3cda s TYR 533 Ca 0.00 -0.54 -0.03 0.00 -0.52 0.00 0.00 57.07 55.98 3cda s TYR 533 Cb 0.00 -0.03 0.09 0.00 0.38 0.00 0.00 41.96 42.40 3cda s TYR 533 CO 0.00 -0.57 0.15 1.41 -1.52 0.00 0.00 175.55 175.02 3cda s MET 534 N -3.86 2.21 0.04 -3.49 -2.45 -1.26 -4.22 119.30 106.27 3cda s MET 534 Ca 0.05 -1.59 -0.30 0.00 -1.25 0.00 0.00 55.69 52.59 3cda s MET 534 Cb 0.04 -3.48 -0.06 0.00 1.25 0.00 0.00 34.83 32.58 3cda s MET 534 CO -0.11 -0.91 1.27 -1.25 1.05 0.00 0.00 175.02 175.08 3cda s PRO 535 N 1.22 4.37 -0.19 4.11 0.05 -1.26 -5.01 135.00 138.28 3cda s PRO 535 Ca 0.03 1.85 -0.01 0.00 0.05 0.00 0.00 61.00 62.92 3cda s PRO 535 Cb -0.22 -3.41 0.01 0.00 0.05 0.00 0.00 34.50 30.92 3cda s PRO 535 CO -0.02 -0.39 -0.13 0.42 0.05 0.00 0.00 177.00 176.93 3cda s ILE 536 N 1.55 2.70 0.18 0.56 -1.09 -1.26 -5.09 121.20 118.74 3cda s ILE 536 Ca 0.60 -0.73 -0.33 0.00 -2.23 0.00 0.00 60.65 57.96 3cda s ILE 536 Cb -0.30 -2.18 -0.14 0.00 -1.58 0.00 0.00 42.46 38.26 3cda s ILE 536 CO 0.28 0.49 1.52 -2.65 -1.23 0.00 0.00 174.94 173.35 3cda n PRO 537 N 4.62 2.08 -3.92 2.79 -0.02 -1.26 -4.77 135.00 134.52 3cda n PRO 537 Ca -0.20 0.75 -0.36 0.00 -2.02 0.00 0.00 63.50 61.68 3cda n PRO 537 Cb 0.51 -2.48 -0.13 0.00 -0.02 0.00 0.00 33.50 31.38 3cda n PRO 537 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3cda s VAL 538 N 0.64 4.03 0.36 -1.45 1.01 -1.26 -1.89 120.40 121.84 3cda s VAL 538 Ca 0.76 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.55 3cda s VAL 538 Cb -0.68 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 3cda s VAL 538 CO 0.41 0.39 0.20 -0.83 0.00 0.00 0.00 175.10 175.27 3cda s GLY 539 N 1.30 2.02 -0.10 4.51 0.00 -0.35 -4.91 107.32 109.78 3cda s GLY 539 Ca 0.04 -1.86 0.02 0.00 0.00 0.00 0.00 44.72 42.92 3cda s GLY 539 CO 0.02 -1.75 -0.16 0.14 0.00 0.00 0.00 173.10 171.34 3cda s VAL 540 N -2.45 1.56 -0.14 1.40 1.01 -1.26 -0.13 120.40 120.40 3cda s VAL 540 Ca 0.40 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 3cda s VAL 540 Cb -0.02 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3cda s VAL 540 CO 0.24 0.45 -0.09 0.00 0.00 0.00 0.00 175.10 175.70 3cda s ALA 541 N 0.84 2.81 0.00 5.51 0.00 -0.43 -4.92 121.76 125.56 3cda s ALA 541 Ca -0.09 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.01 3cda s ALA 541 Cb -0.15 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.60 3cda s ALA 541 CO 0.01 0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.43 3cda n GLY 542 N 3.46 0.80 3.76 0.00 0.00 -1.26 -0.56 105.19 111.38 3cda n GLY 542 Ca -0.18 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 3cda n GLY 542 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cda s PRO 543 N -1.76 4.54 -0.38 1.61 0.04 -1.26 -4.97 135.00 132.81 3cda s PRO 543 Ca 0.00 1.92 -0.18 0.00 0.04 0.00 0.00 61.00 62.79 3cda s PRO 543 Cb 0.00 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.37 3cda s PRO 543 CO 0.00 0.05 0.48 -1.17 0.04 0.00 0.00 177.00 176.40 3cda s LEU 544 N -1.26 4.52 -0.55 -3.56 2.96 0.41 -4.61 118.68 116.59 3cda s LEU 544 Ca 0.47 -0.28 -0.27 0.00 -0.22 0.00 0.00 54.13 53.84 3cda s LEU 544 Cb -0.34 -2.51 0.03 0.00 0.50 0.00 0.00 46.19 43.88 3cda s LEU 544 CO 0.43 -0.52 1.08 0.00 -1.32 0.00 0.00 176.35 176.02 3cda s LEU 546 N 4.46 0.49 -1.32 0.00 2.96 0.02 -0.92 118.68 124.37 3cda s LEU 546 Ca 0.39 -0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 54.21 3cda s LEU 546 Cb -0.09 -0.37 0.01 0.00 0.50 0.00 0.00 46.19 46.23 3cda s LEU 546 CO 0.24 -0.21 0.74 0.47 -1.32 0.00 0.00 176.35 176.27 3cda n ASP 547 N 5.18 -1.54 -0.37 3.68 8.00 0.06 -1.97 116.55 129.60 3cda n ASP 547 Ca -0.06 -0.80 -0.05 0.00 0.71 0.00 0.00 54.79 54.59 3cda n ASP 547 Cb 0.50 -4.12 -0.02 0.00 -0.02 0.00 0.00 41.12 37.46 3cda n ASP 547 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3cda n GLU 548 N -4.30 -1.10 -4.45 -1.24 1.02 -1.26 -4.99 120.64 104.31 3cda n GLU 548 Ca -0.27 0.55 -0.22 0.00 -0.02 0.00 0.00 57.16 57.20 3cda n GLU 548 Cb 0.66 -4.51 -0.11 0.00 -0.02 0.00 0.00 31.44 27.47 3cda n GLU 548 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3cda s LYS 549 N -1.92 1.62 -0.10 3.49 1.02 -0.83 -5.15 119.74 117.87 3cda s LYS 549 Ca 0.00 -1.87 0.04 0.00 0.02 0.00 0.00 55.97 54.16 3cda s LYS 549 Cb 0.00 -1.05 -0.00 0.00 -0.52 0.00 0.00 37.83 36.26 3cda s LYS 549 CO 0.00 -0.08 -0.22 -1.21 -0.92 0.00 0.00 175.35 172.92 3cda s GLU 550 N -3.80 3.04 -0.01 1.68 2.02 -1.26 -0.80 118.70 119.57 3cda s GLU 550 Ca 0.33 -0.85 0.08 0.00 0.02 0.00 0.00 54.97 54.55 3cda s GLU 550 Cb 0.07 -2.34 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 3cda s GLU 550 CO 0.14 0.21 -0.24 -0.06 0.02 0.00 0.00 175.26 175.33 3cda s PHE 551 N 0.27 2.14 -0.36 1.61 0.40 -0.52 -4.90 117.98 116.62 3cda s PHE 551 Ca -0.16 -0.40 -0.08 0.00 -0.60 0.00 0.00 56.93 55.69 3cda s PHE 551 Cb -0.17 -1.36 0.04 0.00 0.51 0.00 0.00 43.02 42.03 3cda s PHE 551 CO 0.08 -0.02 0.15 -0.65 0.70 0.00 0.00 175.22 175.49 3cda s GLN 552 N -0.65 2.70 -0.35 0.44 -1.52 -1.26 -0.44 119.66 118.57 3cda s GLN 552 Ca 0.09 -1.16 -0.14 0.00 -1.95 0.00 0.00 55.36 52.21 3cda s GLN 552 Cb -0.09 -3.59 -0.01 0.00 -0.22 0.00 0.00 33.01 29.10 3cda s GLN 552 CO -0.01 -0.70 0.28 0.08 -0.25 0.00 0.00 175.29 174.70 3cda s VAL 553 N 1.46 5.25 0.28 1.09 1.01 0.28 -4.55 120.40 125.22 3cda s VAL 553 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 3cda s VAL 553 Cb -0.20 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 3cda s VAL 553 CO 0.04 -0.08 1.00 -2.16 0.00 0.00 0.00 175.10 173.90 3cda s PRO 554 N 1.79 4.68 -0.20 2.72 0.04 -1.26 -1.31 135.00 141.45 3cda s PRO 554 Ca 0.07 1.55 -0.05 0.00 0.04 0.00 0.00 61.00 62.62 3cda s PRO 554 Cb -0.17 -3.09 0.07 0.00 0.04 0.00 0.00 34.50 31.34 3cda s PRO 554 CO 0.11 0.32 0.11 -1.64 0.04 0.00 0.00 177.00 175.94 3cda s MET 555 N -1.55 0.10 -0.41 4.56 -1.94 0.82 -4.27 119.30 116.61 3cda s MET 555 Ca 0.45 -0.16 -0.22 0.00 -1.71 0.00 0.00 55.69 54.06 3cda s MET 555 Cb -0.26 -1.64 0.02 0.00 2.01 0.00 0.00 34.83 34.96 3cda s MET 555 CO 0.33 -0.75 0.70 0.00 -0.01 0.00 0.00 175.02 175.29 3cda s ALA 556 N 2.15 3.36 0.09 3.03 0.00 -0.10 -1.22 121.76 129.08 3cda s ALA 556 Ca 0.04 -1.00 -0.20 0.00 0.00 0.00 0.00 51.96 50.80 3cda s ALA 556 Cb -0.16 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 19.67 3cda s ALA 556 CO -0.15 -1.69 0.48 -0.08 0.00 0.00 0.00 175.76 174.32 3cda s THR 557 N 2.98 0.04 -0.28 0.00 -1.32 -0.79 -4.25 115.64 112.02 3cda s THR 557 Ca 0.26 -0.33 0.14 0.00 -1.21 0.00 0.00 61.69 60.55 3cda s THR 557 Cb -0.13 -1.04 0.36 0.00 -1.51 0.00 0.00 72.50 70.18 3cda s THR 557 CO 0.19 -0.18 1.27 0.35 -2.21 0.00 0.00 174.62 174.04 3cda n THR 558 N 0.05 1.80 -3.42 5.08 -2.24 -1.26 -4.28 114.28 110.01 3cda n THR 558 Ca -0.17 -1.72 -0.38 0.00 -2.27 0.00 0.00 64.05 59.50 3cda n THR 558 Cb 0.62 -0.03 -0.08 0.00 -2.10 0.00 0.00 70.33 68.75 3cda n THR 558 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3cda s GLU 559 N -2.30 4.18 0.35 -0.78 2.12 -1.26 -5.03 118.70 115.98 3cda s GLU 559 Ca 0.31 0.16 -0.28 0.00 0.36 0.00 0.00 54.97 55.51 3cda s GLU 559 Cb 0.24 -3.52 -0.11 0.00 0.26 0.00 0.00 34.13 31.00 3cda s GLU 559 CO 0.07 -0.00 1.46 0.20 -0.54 0.00 0.00 175.26 176.46 3cda s GLY 560 N 0.98 2.84 0.00 -1.50 0.00 -1.26 -2.94 107.32 105.44 3cda s GLY 560 Ca 0.18 1.51 0.00 0.00 0.00 0.00 0.00 44.72 46.41 3cda s GLY 560 CO 0.07 2.23 0.00 0.00 0.00 0.00 0.00 173.10 175.40 3cda h LEU 562 N 0.00 0.81 -0.08 0.00 5.85 -1.97 -0.92 115.31 119.01 3cda h LEU 562 Ca 0.00 -0.18 -0.25 0.00 0.84 0.00 0.00 57.88 58.29 3cda h LEU 562 Cb 0.00 -0.22 0.02 0.00 0.37 0.00 0.00 40.66 40.83 3cda h LEU 562 CO 0.00 0.85 -0.92 0.58 -0.34 0.00 0.00 178.44 178.61 3cda h VAL 563 N 0.80 1.28 -0.67 1.05 2.07 -1.88 -2.46 116.25 116.43 3cda h VAL 563 Ca 0.16 -2.11 -0.06 0.00 0.82 0.00 0.00 66.70 65.51 3cda h VAL 563 Cb 0.41 2.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 3cda h VAL 563 CO 0.01 0.66 0.18 0.00 0.02 0.00 0.00 177.57 178.44 3cda h ALA 564 N 0.47 0.88 -0.26 1.67 0.00 -1.87 -0.49 119.26 119.67 3cda h ALA 564 Ca -0.09 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 3cda h ALA 564 Cb 1.56 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3cda h ALA 564 CO 0.18 0.59 -0.19 1.03 0.00 0.00 0.00 179.25 180.86 3cda h SER 565 N 0.99 0.62 -0.92 0.00 0.87 -1.22 -1.72 113.55 112.17 3cda h SER 565 Ca 0.21 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 3cda h SER 565 Cb 0.35 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 3cda h SER 565 CO -0.00 0.93 0.55 0.74 -0.53 0.00 0.00 176.83 178.52 3cda h THR 566 N 0.32 1.25 -0.71 2.23 2.02 -1.32 -1.34 112.91 115.35 3cda h THR 566 Ca 0.05 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 66.63 3cda h THR 566 Cb 0.73 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3cda h THR 566 CO 0.05 0.27 0.29 -1.13 0.37 0.00 0.00 175.52 175.37 3cda h ASN 567 N 1.27 0.96 -0.48 4.18 -1.24 -0.93 -1.07 115.58 118.27 3cda h ASN 567 Ca 0.33 -0.14 -0.02 0.00 0.71 0.00 0.00 56.30 57.19 3cda h ASN 567 Cb -0.05 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.73 3cda h ASN 567 CO -0.06 0.85 0.23 -0.09 -1.29 0.00 0.00 177.43 177.07 3cda h ARG 568 N 1.03 0.69 -0.70 6.67 2.43 -0.79 -1.14 114.38 122.57 3cda h ARG 568 Ca 0.24 -0.10 0.13 0.00 -0.81 0.00 0.00 59.98 59.44 3cda h ARG 568 Cb 0.18 -0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 29.52 3cda h ARG 568 CO -0.02 0.58 0.25 0.78 -1.51 0.00 0.00 179.97 180.05 3cda h GLY 569 N 0.63 1.02 0.95 2.80 0.00 -0.57 -1.47 103.07 106.43 3cda h GLY 569 Ca 0.17 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.39 3cda h GLY 569 CO -0.02 -0.08 0.30 0.00 0.00 0.00 0.00 176.54 176.74 3cda h ARG 571 N 0.61 0.88 -0.64 0.00 2.43 -0.25 -1.18 114.38 116.23 3cda h ARG 571 Ca 0.18 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 3cda h ARG 571 Cb -0.03 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 3cda h ARG 571 CO -0.06 0.58 0.19 0.00 -1.51 0.00 0.00 179.97 179.17 3cda h ALA 572 N 1.32 0.85 -0.56 2.80 0.00 -1.10 -2.60 119.26 119.97 3cda h ALA 572 Ca 0.30 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3cda h ALA 572 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3cda h ALA 572 CO -0.12 0.53 0.01 0.82 0.00 0.00 0.00 179.25 180.50 3cda h ILE 573 N 0.94 1.26 -0.33 0.00 2.04 -0.89 -2.51 117.51 118.02 3cda h ILE 573 Ca 0.21 -1.11 -0.06 0.00 1.00 0.00 0.00 64.86 64.90 3cda h ILE 573 Cb 0.31 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3cda h ILE 573 CO -0.00 0.40 -0.02 1.23 0.00 0.00 0.00 178.15 179.75 3cda h GLY 574 N 0.86 0.64 2.00 5.37 0.00 -1.12 0.13 103.07 110.95 3cda h GLY 574 Ca 0.16 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3cda h GLY 574 CO 0.03 0.45 0.00 1.41 0.00 0.00 0.00 176.54 178.43 3cda h LEU 575 N 0.39 0.00 -2.27 3.11 3.38 -1.49 -1.98 115.31 116.46 3cda h LEU 575 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3cda h LEU 575 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3cda h LEU 575 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3cda n GLY 576 N -0.29 1.97 1.46 0.83 0.00 -0.95 -4.84 105.19 103.37 3cda n GLY 576 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3cda n GLY 576 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cda n GLY 577 N 0.68 0.69 0.00 -0.02 0.00 -0.74 -4.59 105.19 101.21 3cda n GLY 577 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3cda n GLY 577 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cda n GLY 578 N -2.56 -0.71 3.72 -0.02 0.00 0.41 -4.99 105.19 101.03 3cda n GLY 578 Ca 0.00 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 3cda n GLY 578 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cda s ALA 579 N -1.76 3.37 0.05 4.61 0.00 -0.10 -4.64 121.76 123.28 3cda s ALA 579 Ca 0.00 -1.18 0.09 0.00 0.00 0.00 0.00 51.96 50.86 3cda s ALA 579 Cb 0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 3cda s ALA 579 CO 0.00 0.61 -0.25 -1.12 0.00 0.00 0.00 175.76 175.01 3cda s SER 580 N -2.64 2.97 0.02 0.00 0.01 -0.57 -0.76 113.70 112.72 3cda s SER 580 Ca 0.28 -0.57 -0.06 0.00 1.31 0.00 0.00 55.95 56.91 3cda s SER 580 Cb -0.11 -0.26 -0.01 0.00 0.21 0.00 0.00 66.02 65.85 3cda s SER 580 CO 0.20 0.23 0.10 -0.94 0.41 0.00 0.00 173.24 173.24 3cda s SER 581 N -1.23 0.11 -0.00 2.44 1.04 -1.26 -1.20 113.70 113.59 3cda s SER 581 Ca 0.11 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.19 3cda s SER 581 Cb -0.10 0.20 -0.00 0.00 0.10 0.00 0.00 66.02 66.22 3cda s SER 581 CO 0.02 -0.41 -0.03 -0.13 0.98 0.00 0.00 173.24 173.68 3cda s ARG 582 N -1.79 0.23 -0.33 4.02 1.81 -0.42 -5.00 118.95 117.47 3cda s ARG 582 Ca -0.12 -0.10 -0.22 0.00 -1.72 0.00 0.00 55.73 53.57 3cda s ARG 582 Cb -0.06 -0.22 -0.00 0.00 -0.45 0.00 0.00 34.95 34.22 3cda s ARG 582 CO -0.01 0.06 0.71 0.08 -0.68 0.00 0.00 175.30 175.47 3cda s VAL 583 N -0.07 4.84 0.03 3.52 1.01 -1.26 -1.54 120.40 126.92 3cda s VAL 583 Ca 0.01 0.92 0.06 0.00 0.00 0.00 0.00 61.98 62.96 3cda s VAL 583 Cb -0.01 -4.10 -0.24 0.00 0.00 0.00 0.00 36.38 32.03 3cda s VAL 583 CO -0.00 -0.27 0.94 -0.07 0.00 0.00 0.00 175.10 175.70 3cda h LEU 584 N 9.42 0.12 -7.38 3.92 3.38 -0.78 -3.49 115.31 120.50 3cda h LEU 584 Ca -0.25 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 3cda h LEU 584 Cb 1.10 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.69 3cda h LEU 584 CO 0.86 1.15 -0.02 0.00 0.09 0.00 0.00 178.44 180.51 3cda s ALA 585 N -2.64 -1.02 -0.25 1.53 0.00 -1.15 -4.97 121.76 113.26 3cda s ALA 585 Ca -0.04 -0.00 -0.05 0.00 0.00 0.00 0.00 51.96 51.87 3cda s ALA 585 Cb 0.08 0.75 0.13 0.00 0.00 0.00 0.00 23.12 24.08 3cda s ALA 585 CO 0.83 -0.68 0.49 0.34 0.00 0.00 0.00 175.76 176.74 3cda s ASP 586 N -2.81 -0.55 0.00 0.00 2.15 -1.25 -1.29 116.67 112.92 3cda s ASP 586 Ca 0.04 0.87 0.00 0.00 0.43 0.00 0.00 52.55 53.88 3cda s ASP 586 Cb 0.01 1.66 0.00 0.00 -0.30 0.00 0.00 42.92 44.29 3cda s ASP 586 CO -0.11 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.25 3cda n GLY 587 N 5.40 0.76 3.74 2.66 0.00 -0.27 -4.39 105.19 113.09 3cda n GLY 587 Ca -0.06 0.59 -0.36 0.00 0.00 0.00 0.00 46.02 46.19 3cda n GLY 587 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3cda s MET 588 N 0.00 2.57 0.34 1.61 1.75 -0.52 -1.80 119.30 123.25 3cda s MET 588 Ca 0.00 1.88 0.05 0.00 -1.25 0.00 0.00 55.69 56.36 3cda s MET 588 Cb 0.00 -1.87 -0.07 0.00 2.84 0.00 0.00 34.83 35.73 3cda s MET 588 CO 0.00 -1.53 0.05 0.95 -0.65 0.00 0.00 175.02 173.83 3cda s THR 589 N -1.66 1.38 -0.22 10.11 -4.23 -1.26 -1.45 115.64 118.31 3cda s THR 589 Ca 0.78 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 59.13 3cda s THR 589 Cb -0.32 -2.84 0.06 0.00 1.34 0.00 0.00 72.50 70.74 3cda s THR 589 CO 0.39 -0.00 0.56 -0.60 -0.54 0.00 0.00 174.62 174.43 3cda s ARG 590 N -3.85 0.60 -0.51 3.99 6.06 -0.51 -4.95 118.95 119.78 3cda s ARG 590 Ca 0.36 0.94 0.07 0.00 -2.50 0.00 0.00 55.73 54.60 3cda s ARG 590 Cb 0.09 0.16 0.28 0.00 0.06 0.00 0.00 34.95 35.54 3cda s ARG 590 CO 0.16 -0.13 0.70 0.41 -2.50 0.00 0.00 175.30 173.94 3cda n GLY 591 N 3.72 4.09 3.69 8.12 0.00 -1.26 -1.06 105.19 122.49 3cda n GLY 591 Ca -0.19 -2.21 -0.36 0.00 0.00 0.00 0.00 46.02 43.26 3cda n GLY 591 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3cda n PRO 592 N 0.81 0.87 -4.19 1.61 -0.04 -1.04 -0.75 135.00 132.27 3cda n PRO 592 Ca 0.26 0.36 -0.34 0.00 -0.04 0.00 0.00 63.50 63.73 3cda n PRO 592 Cb 0.48 -2.43 -0.10 0.00 -0.04 0.00 0.00 33.50 31.42 3cda n PRO 592 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3cda s VAL 593 N -1.56 4.47 0.18 0.52 0.11 -0.74 -2.07 120.40 121.31 3cda s VAL 593 Ca 0.79 -0.16 0.08 0.00 -2.93 0.00 0.00 61.98 59.76 3cda s VAL 593 Cb -0.37 -2.97 -0.04 0.00 -1.53 0.00 0.00 36.38 31.47 3cda s VAL 593 CO 0.44 0.51 -0.16 0.68 -3.33 0.00 0.00 175.10 173.24 3cda s VAL 594 N 0.02 1.71 -0.01 2.04 -7.23 -0.53 -2.26 120.40 114.14 3cda s VAL 594 Ca 0.04 -2.05 0.04 0.00 -1.81 0.00 0.00 61.98 58.20 3cda s VAL 594 Cb -0.13 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.89 3cda s VAL 594 CO 0.02 -0.48 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.05 3cda s ARG 595 N -3.24 1.11 0.35 4.82 0.52 0.27 -0.48 118.95 122.30 3cda s ARG 595 Ca 0.18 -0.52 0.08 0.00 -0.52 0.00 0.00 55.73 54.96 3cda s ARG 595 Cb -0.03 -1.08 -0.05 0.00 0.52 0.00 0.00 34.95 34.31 3cda s ARG 595 CO 0.06 0.29 0.11 -0.51 0.02 0.00 0.00 175.30 175.28 3cda s LEU 596 N -0.39 3.15 0.43 2.53 1.02 -0.66 -0.32 118.68 124.44 3cda s LEU 596 Ca 0.05 -0.89 0.14 0.00 0.02 0.00 0.00 54.13 53.45 3cda s LEU 596 Cb -0.06 -1.57 1.03 0.00 0.02 0.00 0.00 46.19 45.61 3cda s LEU 596 CO -0.00 -0.33 1.96 -0.65 0.02 0.00 0.00 176.35 177.35 3cda h PRO 597 N 1.60 0.41 -4.35 1.29 0.11 -1.87 -3.45 132.00 125.74 3cda h PRO 597 Ca -0.43 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 3cda h PRO 597 Cb 1.25 -0.09 -0.15 0.00 0.11 0.00 0.00 31.00 32.11 3cda h PRO 597 CO 0.65 0.27 -0.69 1.03 -0.21 0.00 0.00 178.00 179.06 3cda s ARG 598 N -5.41 0.65 0.43 1.05 1.81 -1.26 -4.99 118.95 111.23 3cda s ARG 598 Ca -0.08 -1.21 0.10 0.00 -1.72 0.00 0.00 55.73 52.83 3cda s ARG 598 Cb 0.20 0.08 0.94 0.00 -0.45 0.00 0.00 34.95 35.71 3cda s ARG 598 CO 0.76 -0.08 2.03 0.00 -0.68 0.00 0.00 175.30 177.33 3cda h ALA 599 N 3.21 1.71 -0.36 2.13 0.00 -1.86 -1.17 119.26 122.92 3cda h ALA 599 Ca -0.34 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 3cda h ALA 599 Cb 1.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3cda h ALA 599 CO 0.64 0.23 0.02 0.00 0.00 0.00 0.00 179.25 180.14 3cda h ASP 601 N 0.53 0.20 -0.92 0.00 3.32 -1.79 -2.42 116.42 115.34 3cda h ASP 601 Ca 0.12 -0.68 0.08 0.00 0.02 0.00 0.00 57.03 56.57 3cda h ASP 601 Cb 0.31 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.74 3cda h ASP 601 CO 0.01 0.85 0.60 0.77 -1.72 0.00 0.00 179.24 179.74 3cda h SER 602 N -0.43 0.89 -0.43 6.45 4.64 -1.09 -0.85 113.55 122.73 3cda h SER 602 Ca -0.01 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3cda h SER 602 Cb 0.85 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 3cda h SER 602 CO 0.04 0.54 0.06 0.00 -0.87 0.00 0.00 176.83 176.59 3cda h ALA 603 N 1.52 1.16 -0.85 5.18 0.00 -1.10 -1.64 119.26 123.53 3cda h ALA 603 Ca 0.42 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3cda h ALA 603 Cb 0.30 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3cda h ALA 603 CO -0.17 0.55 0.40 1.49 0.00 0.00 0.00 179.25 181.52 3cda h GLU 604 N 0.76 1.23 -0.39 0.00 4.81 -0.65 -1.01 114.58 119.31 3cda h GLU 604 Ca 0.16 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 3cda h GLU 604 Cb 0.38 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3cda h GLU 604 CO 0.01 0.94 -0.00 0.28 -0.73 0.00 0.00 179.01 179.51 3cda h VAL 605 N 1.21 1.26 -0.06 0.32 2.07 -0.97 -1.31 116.25 118.77 3cda h VAL 605 Ca 0.29 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.83 3cda h VAL 605 Cb 0.13 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3cda h VAL 605 CO -0.04 0.34 -0.09 0.50 0.02 0.00 0.00 177.57 178.30 3cda h LYS 606 N 0.51 -0.13 -0.78 1.57 3.64 -1.07 -0.94 116.57 119.37 3cda h LYS 606 Ca 0.11 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.58 3cda h LYS 606 Cb 0.48 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.26 3cda h LYS 606 CO 0.02 -0.08 0.45 0.00 -2.27 0.00 0.00 179.45 177.57 3cda h ALA 607 N 0.90 1.09 -0.44 5.00 0.00 -1.05 -2.32 119.26 122.44 3cda h ALA 607 Ca 0.06 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3cda h ALA 607 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3cda h ALA 607 CO -0.14 0.12 -0.07 2.35 0.00 0.00 0.00 179.25 181.52 3cda h TRP 608 N 0.80 0.91 0.00 0.00 7.01 -0.86 -2.69 115.95 121.12 3cda h TRP 608 Ca 0.36 -0.18 0.00 0.00 2.11 0.00 0.00 58.89 61.18 3cda h TRP 608 Cb 0.27 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.10 3cda h TRP 608 CO -0.06 0.91 0.00 -0.07 -2.79 0.00 0.00 178.44 176.42 3cda h LEU 609 N 0.65 0.00 -0.10 0.65 3.38 -0.82 -2.81 115.31 116.26 3cda h LEU 609 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3cda h LEU 609 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3cda h LEU 609 CO 0.04 0.00 -0.47 -0.62 0.09 0.00 0.00 178.44 177.47 3cda n GLU 610 N -3.06 0.16 -2.09 1.13 1.02 -0.91 -3.95 120.64 112.94 3cda n GLU 610 Ca -0.00 -0.10 -0.32 0.00 -0.02 0.00 0.00 57.16 56.72 3cda n GLU 610 Cb 0.23 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3cda n GLU 610 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3cda s THR 611 N -2.90 4.30 0.37 2.62 -4.23 -1.06 -4.96 115.64 109.78 3cda s THR 611 Ca 0.13 0.98 0.11 0.00 -1.18 0.00 0.00 61.69 61.74 3cda s THR 611 Cb 0.18 -3.61 0.11 0.00 1.34 0.00 0.00 72.50 70.52 3cda s THR 611 CO 0.67 -0.75 1.85 0.77 -0.54 0.00 0.00 174.62 176.62 3cda h SER 612 N 0.33 0.10 0.26 3.99 4.64 -1.89 -2.34 113.55 118.64 3cda h SER 612 Ca -0.46 -0.03 -0.24 0.00 -0.47 0.00 0.00 61.79 60.59 3cda h SER 612 Cb 1.20 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 63.27 3cda h SER 612 CO 0.60 0.39 -0.99 1.05 -0.87 0.00 0.00 176.83 177.01 3cda h GLU 613 N 0.09 0.49 -0.04 4.77 9.09 -1.93 -2.66 114.58 124.38 3cda h GLU 613 Ca 0.01 -0.54 -0.01 0.00 0.05 0.00 0.00 59.36 58.87 3cda h GLU 613 Cb 0.57 0.16 -0.00 0.00 -1.65 0.00 0.00 28.75 27.83 3cda h GLU 613 CO 0.04 1.18 -0.03 0.78 0.05 0.00 0.00 179.01 181.03 3cda h GLY 614 N 1.00 0.09 1.66 1.06 0.00 -1.67 -2.83 103.07 102.39 3cda h GLY 614 Ca -0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3cda h GLY 614 CO 0.18 0.08 0.17 -2.75 0.00 0.00 0.00 176.54 174.21 3cda h PHE 615 N -0.35 0.44 -0.30 5.60 3.57 -1.52 -2.08 116.94 122.31 3cda h PHE 615 Ca 0.01 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.37 3cda h PHE 615 Cb 0.49 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3cda h PHE 615 CO 0.08 0.32 -0.38 0.00 -2.23 0.00 0.00 178.31 176.11 3cda h ALA 616 N 1.73 0.78 -0.03 2.41 0.00 -1.43 0.81 119.26 123.51 3cda h ALA 616 Ca 0.12 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 3cda h ALA 616 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3cda h ALA 616 CO -0.02 0.65 -0.72 -0.39 0.00 0.00 0.00 179.25 178.78 3cda h VAL 617 N 0.58 1.44 -0.05 0.00 -1.51 -1.21 -1.12 116.25 114.38 3cda h VAL 617 Ca 0.05 -2.27 -0.15 0.00 -1.23 0.00 0.00 66.70 63.10 3cda h VAL 617 Cb 0.91 2.21 -0.01 0.00 -2.13 0.00 0.00 31.29 32.27 3cda h VAL 617 CO 0.08 0.66 -0.65 0.40 -1.23 0.00 0.00 177.57 176.84 3cda h ILE 618 N 0.13 1.41 -0.16 7.19 1.08 -1.29 -3.00 117.51 122.87 3cda h ILE 618 Ca -0.02 -2.11 -0.04 0.00 -0.39 0.00 0.00 64.86 62.31 3cda h ILE 618 Cb 1.28 2.10 -0.01 0.00 -3.07 0.00 0.00 36.82 37.12 3cda h ILE 618 CO 0.11 0.62 -0.03 0.50 -0.69 0.00 0.00 178.15 178.65 3cda h LYS 619 N 0.13 0.31 -0.87 2.37 3.64 -0.62 -2.13 116.57 119.41 3cda h LYS 619 Ca -0.01 -0.12 0.06 0.00 -1.27 0.00 0.00 60.65 59.31 3cda h LYS 619 Cb 1.17 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.91 3cda h LYS 619 CO 0.10 0.58 0.54 1.49 -2.27 0.00 0.00 179.45 179.88 3cda h GLU 620 N 0.02 0.95 -0.17 1.90 4.81 -1.20 0.32 114.58 121.21 3cda h GLU 620 Ca 0.04 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 3cda h GLU 620 Cb 0.46 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 3cda h GLU 620 CO 0.02 0.63 -0.14 0.00 -0.73 0.00 0.00 179.01 178.78 3cda h ALA 621 N 1.41 0.25 -0.16 2.92 0.00 -1.50 -2.51 119.26 119.67 3cda h ALA 621 Ca 0.38 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3cda h ALA 621 Cb 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3cda h ALA 621 CO -0.18 0.13 0.08 0.35 0.00 0.00 0.00 179.25 179.63 3cda h PHE 622 N 0.05 0.15 0.00 0.00 3.57 -1.07 -3.10 116.94 116.55 3cda h PHE 622 Ca 0.03 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 3cda h PHE 622 Cb 0.66 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 3cda h PHE 622 CO 0.08 0.09 -0.20 -0.44 -2.23 0.00 0.00 178.31 175.61 3cda h ASP 623 N 0.17 0.00 0.51 0.41 5.19 -0.93 -3.01 116.42 118.76 3cda h ASP 623 Ca 0.06 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.44 3cda h ASP 623 Cb 0.01 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 3cda h ASP 623 CO -0.04 0.20 -0.13 0.77 -3.12 0.00 0.00 179.24 176.91 3cda h SER 624 N 0.00 0.00 0.84 6.45 4.64 -1.36 -3.27 113.55 120.85 3cda h SER 624 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3cda h SER 624 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 3cda h SER 624 CO 0.03 0.13 -0.44 0.71 -0.87 0.00 0.00 176.83 176.39 3cda h THR 625 N 0.00 1.01 -2.76 2.95 1.35 -1.66 -3.47 112.91 110.32 3cda h THR 625 Ca -0.00 -1.71 0.11 0.00 -0.55 0.00 0.00 66.41 64.25 3cda h THR 625 Cb 0.42 2.01 -0.06 0.00 -1.73 0.00 0.00 68.15 68.80 3cda h THR 625 CO 0.02 0.43 0.33 -0.94 -0.25 0.00 0.00 175.52 175.11 3cda s SER 626 N -6.52 -0.21 0.14 5.36 1.04 -1.23 -5.01 113.70 107.26 3cda s SER 626 Ca 0.00 -0.57 -0.18 0.00 0.48 0.00 0.00 55.95 55.68 3cda s SER 626 Cb 0.11 0.65 -0.02 0.00 0.10 0.00 0.00 66.02 66.85 3cda s SER 626 CO 0.71 -1.21 1.80 0.08 0.98 0.00 0.00 173.24 175.60 3cda h ARG 627 N 2.00 0.40 -0.41 4.02 0.11 -1.92 -2.99 114.38 115.60 3cda h ARG 627 Ca -0.22 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.84 3cda h ARG 627 Cb 1.24 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.23 3cda h ARG 627 CO 0.25 0.27 0.00 1.19 0.10 0.00 0.00 179.97 181.77 3cda n PHE 628 N -4.88 0.53 -2.18 4.08 3.01 -1.26 -4.86 117.46 111.90 3cda n PHE 628 Ca -0.01 -0.27 -0.35 0.00 1.01 0.00 0.00 57.45 57.83 3cda n PHE 628 Cb 0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.46 3cda n PHE 628 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3cda s ALA 629 N -1.47 2.16 -0.40 4.37 0.00 -1.13 -4.12 121.76 121.17 3cda s ALA 629 Ca 0.39 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 51.13 3cda s ALA 629 Cb 0.22 -4.41 0.12 0.00 0.00 0.00 0.00 23.12 19.05 3cda s ALA 629 CO 0.30 -4.07 0.17 1.03 0.00 0.00 0.00 175.76 173.20 3cda s ARG 630 N 6.58 1.20 0.07 0.00 1.81 -1.26 -4.11 118.95 123.25 3cda s ARG 630 Ca 0.61 -1.76 -0.31 0.00 -1.72 0.00 0.00 55.73 52.55 3cda s ARG 630 Cb -0.08 -2.42 -0.08 0.00 -0.45 0.00 0.00 34.95 31.91 3cda s ARG 630 CO 0.09 -1.08 1.67 -1.17 -0.68 0.00 0.00 175.30 174.14 3cda s LEU 631 N 0.74 4.37 0.00 2.53 2.96 -1.26 -4.07 118.68 123.95 3cda s LEU 631 Ca 0.14 2.50 -0.01 0.00 -0.22 0.00 0.00 54.13 56.55 3cda s LEU 631 Cb -0.22 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 42.97 3cda s LEU 631 CO -0.08 -0.90 0.39 0.00 -1.32 0.00 0.00 176.35 174.44 3cda n GLN 632 N 5.68 0.23 -1.43 1.98 6.02 0.10 -5.01 117.38 124.95 3cda n GLN 632 Ca 0.16 -0.99 -0.45 0.00 -0.01 0.00 0.00 57.00 55.72 3cda n GLN 632 Cb 0.40 -0.29 -0.01 0.00 1.02 0.00 0.00 30.24 31.36 3cda n GLN 632 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 3cda n LYS 633 N -1.74 0.41 -3.29 -1.09 2.85 -1.26 -4.66 118.16 109.38 3cda n LYS 633 Ca 0.06 0.15 -0.32 0.00 -1.05 0.00 0.00 58.31 57.15 3cda n LYS 633 Cb 0.22 -1.30 -0.05 0.00 -0.65 0.00 0.00 35.03 33.25 3cda n LYS 633 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3cda s LEU 634 N 2.39 4.10 -0.10 -5.58 1.43 -1.26 -4.44 118.68 115.22 3cda s LEU 634 Ca 0.62 1.01 0.02 0.00 -1.03 0.00 0.00 54.13 54.75 3cda s LEU 634 Cb -0.75 -3.79 0.01 0.00 0.03 0.00 0.00 46.19 41.69 3cda s LEU 634 CO 0.58 -0.14 -0.16 -2.28 0.23 0.00 0.00 176.35 174.58 3cda s HIS 635 N -1.93 1.97 0.03 0.29 2.46 -1.08 -4.99 115.29 112.05 3cda s HIS 635 Ca 0.49 -0.91 0.06 0.00 0.47 0.00 0.00 55.06 55.17 3cda s HIS 635 Cb -0.11 -1.42 -0.02 0.00 -0.13 0.00 0.00 32.58 30.91 3cda s HIS 635 CO 0.22 -0.46 -0.16 0.95 -2.47 0.00 0.00 174.74 172.82 3cda s THR 636 N 0.91 1.30 -0.01 0.89 -4.23 -1.26 -0.41 115.64 112.83 3cda s THR 636 Ca -0.08 -1.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.45 3cda s THR 636 Cb -0.15 -1.14 -0.00 0.00 1.34 0.00 0.00 72.50 72.54 3cda s THR 636 CO -0.00 0.12 -0.08 -0.55 -0.54 0.00 0.00 174.62 173.57 3cda s SER 637 N -1.02 0.97 -0.06 3.99 0.15 -0.85 -5.00 113.70 111.87 3cda s SER 637 Ca 0.04 -0.15 -0.06 0.00 0.70 0.00 0.00 55.95 56.48 3cda s SER 637 Cb -0.08 -0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.05 3cda s SER 637 CO 0.01 0.09 0.19 -0.63 1.20 0.00 0.00 173.24 174.10 3cda s ILE 638 N -0.10 5.42 -0.47 6.45 1.01 -1.26 -0.75 121.20 131.49 3cda s ILE 638 Ca 0.02 0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.85 3cda s ILE 638 Cb -0.04 -3.49 0.15 0.00 0.01 0.00 0.00 42.46 39.09 3cda s ILE 638 CO -0.00 0.49 0.32 0.00 0.00 0.00 0.00 174.94 175.75 3cda s ALA 639 N -1.16 2.08 0.00 9.38 0.00 -0.76 -5.00 121.76 126.30 3cda s ALA 639 Ca 0.21 -2.70 0.00 0.00 0.00 0.00 0.00 51.96 49.47 3cda s ALA 639 Cb -0.13 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.18 3cda s ALA 639 CO 0.11 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.23 3cda n GLY 640 N 3.06 3.41 0.06 0.00 0.00 -1.26 -1.67 105.19 108.80 3cda n GLY 640 Ca 0.18 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.21 3cda n GLY 640 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3cda n ARG 641 N 13.18 0.26 -2.48 1.61 1.85 -1.26 -4.26 116.66 125.55 3cda n ARG 641 Ca 0.00 -0.12 -0.37 0.00 -1.00 0.00 0.00 57.85 56.36 3cda n ARG 641 Cb 0.00 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 29.88 3cda n ARG 641 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 3cda s ASN 642 N -2.83 6.73 -0.09 2.89 0.02 -0.67 -1.66 114.94 119.34 3cda s ASN 642 Ca 0.17 2.12 -0.01 0.00 -1.02 0.00 0.00 52.86 54.12 3cda s ASN 642 Cb 0.18 -2.59 0.03 0.00 0.02 0.00 0.00 41.25 38.89 3cda s ASN 642 CO 0.60 -0.51 -0.02 -0.22 0.02 0.00 0.00 177.10 176.96 3cda s LEU 643 N -2.52 0.81 -0.17 0.60 2.96 0.36 -1.83 118.68 118.89 3cda s LEU 643 Ca 0.57 -0.18 -0.14 0.00 -0.22 0.00 0.00 54.13 54.16 3cda s LEU 643 Cb -0.25 -0.58 -0.05 0.00 0.50 0.00 0.00 46.19 45.81 3cda s LEU 643 CO 0.31 -0.17 0.29 -0.31 -1.32 0.00 0.00 176.35 175.15 3cda s TYR 644 N 1.88 3.45 -0.13 5.38 1.51 0.07 -1.46 117.35 128.04 3cda s TYR 644 Ca 0.05 0.58 0.01 0.00 -1.01 0.00 0.00 57.07 56.70 3cda s TYR 644 Cb -0.12 -2.35 0.02 0.00 -0.11 0.00 0.00 41.96 39.39 3cda s TYR 644 CO -0.06 0.22 -0.16 0.42 -1.11 0.00 0.00 175.55 174.85 3cda s ILE 645 N 0.54 1.67 -0.40 2.71 1.01 -0.88 -2.02 121.20 123.84 3cda s ILE 645 Ca 0.16 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 59.99 3cda s ILE 645 Cb -0.13 -1.52 0.06 0.00 0.01 0.00 0.00 42.46 40.87 3cda s ILE 645 CO 0.04 0.47 0.23 -0.60 0.00 0.00 0.00 174.94 175.08 3cda s ARG 646 N 1.15 2.68 -0.05 2.79 3.52 0.45 -2.85 118.95 126.64 3cda s ARG 646 Ca -0.02 -1.31 -0.21 0.00 -0.13 0.00 0.00 55.73 54.06 3cda s ARG 646 Cb -0.14 -3.74 -0.04 0.00 -1.56 0.00 0.00 34.95 29.47 3cda s ARG 646 CO -0.06 -0.84 0.61 -0.06 -0.81 0.00 0.00 175.30 174.14 3cda s PHE 647 N 1.47 3.60 -0.09 5.12 0.40 -0.23 -2.62 117.98 125.64 3cda s PHE 647 Ca 0.02 1.15 0.02 0.00 -0.60 0.00 0.00 56.93 57.53 3cda s PHE 647 Cb -0.21 -2.68 0.01 0.00 0.51 0.00 0.00 43.02 40.65 3cda s PHE 647 CO 0.04 0.20 -0.15 -1.14 0.70 0.00 0.00 175.22 174.87 3cda s GLN 648 N 0.39 2.07 0.02 0.44 0.74 -1.26 -1.43 119.66 120.63 3cda s GLN 648 Ca 0.33 -0.53 -0.13 0.00 0.05 0.00 0.00 55.36 55.08 3cda s GLN 648 Cb -0.17 -1.70 0.02 0.00 1.10 0.00 0.00 33.01 32.25 3cda s GLN 648 CO 0.16 0.01 0.27 0.45 -0.55 0.00 0.00 175.29 175.63 3cda s SER 649 N 0.75 -0.09 0.93 6.67 0.15 -0.53 -0.72 113.70 120.86 3cda s SER 649 Ca -0.12 -0.16 -0.12 0.00 0.70 0.00 0.00 55.95 56.25 3cda s SER 649 Cb -0.16 0.32 0.15 0.00 -1.71 0.00 0.00 66.02 64.62 3cda s SER 649 CO 0.03 -0.54 1.12 -0.13 1.20 0.00 0.00 173.24 174.92 3cda s ARG 650 N -2.14 1.02 -0.17 5.44 0.52 -1.26 -1.44 118.95 120.93 3cda s ARG 650 Ca -0.08 0.41 0.14 0.00 -0.52 0.00 0.00 55.73 55.68 3cda s ARG 650 Cb -0.03 -1.81 0.33 0.00 0.52 0.00 0.00 34.95 33.96 3cda s ARG 650 CO -0.01 -2.30 1.24 -1.13 0.02 0.00 0.00 175.30 173.11 3cda n SER 651 N -3.86 -0.24 0.00 0.23 3.41 -1.26 -4.33 113.62 107.58 3cda n SER 651 Ca 0.06 -2.08 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 3cda n SER 651 Cb 0.58 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 3cda n SER 651 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cda n GLY 652 N -0.57 2.90 0.57 5.00 0.00 -1.26 -2.59 105.19 109.23 3cda n GLY 652 Ca -0.11 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.69 3cda n GLY 652 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cda n ASP 653 N 2.34 1.95 -4.80 1.61 8.00 -1.26 -3.88 116.55 120.52 3cda n ASP 653 Ca 0.00 -1.51 -0.34 0.00 0.71 0.00 0.00 54.79 53.65 3cda n ASP 653 Cb 0.00 0.16 -0.04 0.00 -0.02 0.00 0.00 41.12 41.22 3cda n ASP 653 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cda s ALA 654 N -2.24 2.90 0.25 2.24 0.00 -1.07 -0.21 121.76 123.63 3cda s ALA 654 Ca 0.27 0.57 -0.04 0.00 0.00 0.00 0.00 51.96 52.76 3cda s ALA 654 Cb 0.20 -3.23 0.40 0.00 0.00 0.00 0.00 23.12 20.48 3cda s ALA 654 CO 0.43 -0.23 1.81 1.98 0.00 0.00 0.00 175.76 179.75 3cda h MET 655 N 1.63 0.77 0.00 0.00 4.05 -1.73 -3.43 114.93 116.22 3cda h MET 655 Ca -0.49 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 58.88 3cda h MET 655 Cb 1.21 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.84 3cda h MET 655 CO 0.59 0.51 0.00 0.41 0.23 0.00 0.00 176.91 178.65 3cda n GLY 656 N -1.32 1.10 0.08 1.39 0.00 -1.26 -4.71 105.19 100.48 3cda n GLY 656 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 3cda n GLY 656 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3cda h MET 657 N 0.71 -0.08 -0.61 1.61 4.05 -1.95 -1.63 114.93 117.04 3cda h MET 657 Ca 0.00 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.37 3cda h MET 657 Cb 0.00 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 3cda h MET 657 CO 0.00 0.28 0.14 -0.91 0.23 0.00 0.00 176.91 176.66 3cda h ASN 658 N -0.46 0.92 -0.24 1.39 2.35 -1.99 -1.22 115.58 116.33 3cda h ASN 658 Ca -0.01 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 3cda h ASN 658 Cb 0.40 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3cda h ASN 658 CO 0.01 0.92 0.11 -0.03 -1.65 0.00 0.00 177.43 176.80 3cda h MET 659 N 0.89 0.35 0.00 0.81 4.05 -1.99 -2.04 114.93 117.00 3cda h MET 659 Ca 0.19 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.45 3cda h MET 659 Cb 0.36 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 3cda h MET 659 CO 0.00 0.36 -0.50 0.82 0.23 0.00 0.00 176.91 177.83 3cda h ILE 660 N 0.26 1.17 -0.46 1.77 5.03 -1.18 -2.09 117.51 122.01 3cda h ILE 660 Ca 0.08 -1.82 -0.07 0.00 -0.12 0.00 0.00 64.86 62.93 3cda h ILE 660 Cb 0.13 2.03 -0.02 0.00 -3.03 0.00 0.00 36.82 35.94 3cda h ILE 660 CO -0.01 0.49 0.01 0.28 -0.68 0.00 0.00 178.15 178.24 3cda h SER 661 N 0.00 0.79 -0.37 1.72 0.02 -1.01 -0.36 113.55 114.35 3cda h SER 661 Ca -0.00 -0.30 -0.14 0.00 -0.84 0.00 0.00 61.79 60.50 3cda h SER 661 Cb 0.99 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 3cda h SER 661 CO 0.06 0.90 -0.32 0.50 -1.14 0.00 0.00 176.83 176.83 3cda h LYS 662 N 0.66 0.90 -0.61 3.45 3.64 -1.23 -1.34 116.57 122.04 3cda h LYS 662 Ca 0.13 -0.43 -0.07 0.00 -1.27 0.00 0.00 60.65 59.01 3cda h LYS 662 Cb 0.49 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 3cda h LYS 662 CO 0.02 1.09 0.10 0.78 -2.27 0.00 0.00 179.45 179.17 3cda h GLY 663 N 0.86 1.07 1.00 5.01 0.00 -1.31 -2.76 103.07 106.93 3cda h GLY 663 Ca 0.08 -0.68 -0.10 0.00 0.00 0.00 0.00 47.33 46.62 3cda h GLY 663 CO 0.08 0.64 -0.13 -0.84 0.00 0.00 0.00 176.54 176.29 3cda h THR 664 N 0.93 1.28 -0.60 4.70 2.02 -0.78 -1.34 112.91 119.12 3cda h THR 664 Ca 0.19 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.10 3cda h THR 664 Cb 0.40 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 3cda h THR 664 CO 0.01 0.42 0.28 -0.33 0.37 0.00 0.00 175.52 176.27 3cda h GLU 665 N 0.62 0.87 -0.01 6.66 5.08 -1.17 0.25 114.58 126.89 3cda h GLU 665 Ca 0.10 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 3cda h GLU 665 Cb 0.67 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3cda h GLU 665 CO 0.05 0.71 -0.61 -0.22 -1.00 0.00 0.00 179.01 177.94 3cda h LYS 666 N 0.82 0.04 -0.16 2.33 1.63 -1.46 -1.17 116.57 118.60 3cda h LYS 666 Ca 0.21 -0.03 -0.15 0.00 -0.85 0.00 0.00 60.65 59.83 3cda h LYS 666 Cb 0.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 3cda h LYS 666 CO -0.02 0.63 -0.47 0.00 -3.45 0.00 0.00 179.45 176.14 3cda h ALA 667 N 1.36 0.27 -0.19 5.00 0.00 -0.76 -2.07 119.26 122.87 3cda h ALA 667 Ca -0.01 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 3cda h ALA 667 Cb 1.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3cda h ALA 667 CO 0.08 0.43 -0.24 -0.07 0.00 0.00 0.00 179.25 179.45 3cda h LEU 668 N 0.25 0.34 -0.78 0.00 3.38 -0.49 -1.17 115.31 116.85 3cda h LEU 668 Ca -0.01 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 3cda h LEU 668 Cb 1.09 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3cda h LEU 668 CO 0.10 0.59 -0.14 -1.28 0.09 0.00 0.00 178.44 177.80 3cda h SER 669 N 0.31 0.76 0.39 -0.43 0.87 -1.15 -0.72 113.55 113.59 3cda h SER 669 Ca 0.05 -0.24 -0.14 0.00 -1.23 0.00 0.00 61.79 60.23 3cda h SER 669 Cb 0.60 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 3cda h SER 669 CO 0.04 0.92 -0.58 0.50 -0.53 0.00 0.00 176.83 177.18 3cda h LYS 670 N 0.69 0.19 -0.10 2.24 1.63 -0.98 -2.86 116.57 117.37 3cda h LYS 670 Ca 0.11 -0.12 -0.12 0.00 -0.85 0.00 0.00 60.65 59.67 3cda h LYS 670 Cb 0.63 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 3cda h LYS 670 CO 0.04 0.71 -0.46 1.25 -3.45 0.00 0.00 179.45 177.54 3cda h LEU 671 N 0.14 0.27 -1.32 5.20 5.85 -0.90 -2.83 115.31 121.71 3cda h LEU 671 Ca -0.00 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 3cda h LEU 671 Cb 1.06 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3cda h LEU 671 CO 0.09 0.70 0.02 -0.74 -0.34 0.00 0.00 178.44 178.17 3cda h HIS 672 N 0.20 0.49 -0.38 1.25 2.76 -0.92 -1.12 115.15 117.43 3cda h HIS 672 Ca 0.01 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.11 3cda h HIS 672 Cb 0.90 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.70 3cda h HIS 672 CO 0.02 0.47 0.11 0.93 -1.30 0.00 0.00 177.93 178.16 3cda h GLU 673 N 0.46 0.60 0.00 5.26 5.08 -1.34 -1.66 114.58 122.99 3cda h GLU 673 Ca 0.10 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 3cda h GLU 673 Cb 0.27 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3cda h GLU 673 CO 0.00 0.62 -0.35 1.88 -1.00 0.00 0.00 179.01 180.17 3cda h TYR 674 N 0.47 0.00 -2.36 4.33 -1.99 -1.42 -3.38 116.97 112.63 3cda h TYR 674 Ca 0.12 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.26 3cda h TYR 674 Cb 0.27 0.00 -0.39 0.00 2.00 0.00 0.00 36.73 38.62 3cda h TYR 674 CO 0.01 0.35 -0.96 1.19 -0.00 0.00 0.00 178.16 178.75 3cda n PHE 675 N -3.69 -0.42 0.32 4.88 3.01 -0.46 -5.00 117.46 116.10 3cda n PHE 675 Ca -0.01 -3.44 0.20 0.00 1.01 0.00 0.00 57.45 55.21 3cda n PHE 675 Cb 0.45 0.08 1.04 0.00 -0.01 0.00 0.00 39.48 41.04 3cda n PHE 675 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3cda h PRO 676 N 5.32 0.00 0.00 -1.08 0.13 -1.50 -0.99 132.00 133.88 3cda h PRO 676 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 3cda h PRO 676 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3cda h PRO 676 CO 0.42 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.59 3cda n GLU 677 N -3.20 0.12 -2.04 0.86 1.02 -1.26 -4.87 120.64 111.26 3cda n GLU 677 Ca -0.02 0.01 -0.41 0.00 -0.02 0.00 0.00 57.16 56.72 3cda n GLU 677 Cb 0.14 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 3cda n GLU 677 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3cda s MET 678 N -2.88 4.29 -0.19 3.49 1.75 -0.38 -4.54 119.30 120.85 3cda s MET 678 Ca 0.18 2.29 -0.05 0.00 -1.25 0.00 0.00 55.69 56.86 3cda s MET 678 Cb 0.19 -3.08 -0.02 0.00 2.84 0.00 0.00 34.83 34.75 3cda s MET 678 CO 0.49 -0.33 -0.01 -1.14 -0.65 0.00 0.00 175.02 173.38 3cda s GLN 679 N -1.13 3.62 -0.68 4.11 0.74 0.56 -4.97 119.66 121.91 3cda s GLN 679 Ca 0.54 -0.52 -0.26 0.00 0.05 0.00 0.00 55.36 55.17 3cda s GLN 679 Cb -0.41 -3.03 0.04 0.00 1.10 0.00 0.00 33.01 30.71 3cda s GLN 679 CO 0.49 0.07 1.15 0.42 -0.55 0.00 0.00 175.29 176.87 3cda s ILE 680 N 0.83 3.99 0.07 -2.34 1.01 -1.26 -0.57 121.20 122.94 3cda s ILE 680 Ca 0.00 0.25 -0.14 0.00 0.00 0.00 0.00 60.65 60.77 3cda s ILE 680 Cb -0.14 -4.79 -0.25 0.00 0.01 0.00 0.00 42.46 37.29 3cda s ILE 680 CO 0.02 -1.60 1.17 0.25 0.00 0.00 0.00 174.94 174.78 3cda h LEU 681 N 12.21 0.89 -7.00 2.97 5.85 -1.80 -3.47 115.31 124.97 3cda h LEU 681 Ca -0.28 -0.74 0.05 0.00 0.84 0.00 0.00 57.88 57.75 3cda h LEU 681 Cb 1.06 -0.28 -0.25 0.00 0.37 0.00 0.00 40.66 41.56 3cda h LEU 681 CO 1.22 1.54 0.34 0.00 -0.34 0.00 0.00 178.44 181.20 3cda s ALA 682 N -3.23 -2.00 0.47 1.25 0.00 -1.06 -5.02 121.76 112.16 3cda s ALA 682 Ca -0.09 2.04 0.29 0.00 0.00 0.00 0.00 51.96 54.19 3cda s ALA 682 Cb 0.07 -1.46 1.58 0.00 0.00 0.00 0.00 23.12 23.31 3cda s ALA 682 CO 0.92 -0.29 2.13 -0.24 0.00 0.00 0.00 175.76 178.28 3cda h VAL 683 N 4.13 0.53 -3.77 0.00 3.04 -1.91 -1.98 116.25 116.30 3cda h VAL 683 Ca -0.29 -0.37 -0.64 0.00 -1.01 0.00 0.00 66.70 64.39 3cda h VAL 683 Cb 1.18 1.24 -0.37 0.00 -2.01 0.00 0.00 31.29 31.33 3cda h VAL 683 CO 0.12 0.08 -0.79 -0.55 -1.01 0.00 0.00 177.57 175.42 3cda s SER 684 N -6.13 4.20 -0.21 3.17 0.15 -1.26 -2.50 113.70 111.12 3cda s SER 684 Ca -0.03 -1.31 0.08 0.00 0.70 0.00 0.00 55.95 55.39 3cda s SER 684 Cb 0.14 -1.39 0.57 0.00 -1.71 0.00 0.00 66.02 63.62 3cda s SER 684 CO 0.57 -0.21 1.47 0.61 1.20 0.00 0.00 173.24 176.88 3cda n GLY 685 N 4.53 2.88 2.38 9.45 0.00 0.07 -4.71 105.19 119.79 3cda n GLY 685 Ca -0.13 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.13 3cda n GLY 685 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cda n ASN 686 N 0.17 -4.35 -1.15 1.61 3.02 -1.24 -4.78 115.26 108.54 3cda n ASN 686 Ca 0.26 0.15 0.10 0.00 -0.03 0.00 0.00 54.58 55.06 3cda n ASN 686 Cb 1.04 -2.37 0.28 0.00 -0.61 0.00 0.00 39.78 38.11 3cda n ASN 686 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cda n TYR 687 N -2.62 0.83 0.10 3.10 9.36 -1.15 -4.58 117.16 122.21 3cda n TYR 687 Ca -0.06 -0.41 -0.11 0.00 3.32 0.00 0.00 57.90 60.64 3cda n TYR 687 Cb 0.30 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.94 3cda n TYR 687 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3cda s THR 689 N -3.59 4.83 -0.27 0.00 2.01 -1.26 -4.72 115.64 112.64 3cda s THR 689 Ca -0.12 -0.03 -0.11 0.00 0.31 0.00 0.00 61.69 61.74 3cda s THR 689 Cb 0.01 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 3cda s THR 689 CO 0.43 0.53 0.18 -0.62 -0.69 0.00 0.00 174.62 174.45 3cda s ASP 690 N -0.26 5.99 -1.30 3.53 2.15 -1.26 -4.60 116.67 120.93 3cda s ASP 690 Ca 0.08 0.00 0.00 0.00 0.43 0.00 0.00 52.55 53.07 3cda s ASP 690 Cb -0.12 -2.11 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 3cda s ASP 690 CO 0.01 -0.02 0.00 0.29 -0.17 0.00 0.00 175.17 175.28 3cda n LYS 691 N 4.88 -1.28 -4.22 4.34 5.02 -1.26 -4.98 118.16 120.66 3cda n LYS 691 Ca -0.14 0.90 -0.19 0.00 -2.02 0.00 0.00 58.31 56.86 3cda n LYS 691 Cb 0.52 -5.11 -0.12 0.00 -0.02 0.00 0.00 35.03 30.30 3cda n LYS 691 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cda s LYS 692 N -2.93 0.94 0.15 1.97 3.01 -1.26 -4.93 119.74 116.70 3cda s LYS 692 Ca 0.00 -1.08 -0.31 0.00 -1.01 0.00 0.00 55.97 53.57 3cda s LYS 692 Cb 0.00 -0.97 -0.10 0.00 -1.01 0.00 0.00 37.83 35.75 3cda s LYS 692 CO 0.00 0.21 1.59 -1.25 0.51 0.00 0.00 175.35 176.41 3cda s PRO 693 N -2.04 4.21 -0.14 -1.68 0.04 -1.26 -4.74 135.00 129.38 3cda s PRO 693 Ca 0.03 2.37 -0.10 0.00 0.04 0.00 0.00 61.00 63.34 3cda s PRO 693 Cb -0.09 -3.22 0.05 0.00 0.04 0.00 0.00 34.50 31.28 3cda s PRO 693 CO 0.03 -0.63 0.37 0.00 0.04 0.00 0.00 177.00 176.80 3cda s ALA 694 N 1.39 -0.91 0.52 8.56 0.00 -1.26 -5.03 121.76 125.04 3cda s ALA 694 Ca 0.71 1.21 0.27 0.00 0.00 0.00 0.00 51.96 54.16 3cda s ALA 694 Cb -0.43 -0.73 1.63 0.00 0.00 0.00 0.00 23.12 23.59 3cda s ALA 694 CO 0.31 -0.21 2.18 0.00 0.00 0.00 0.00 175.76 178.04 3cda h ALA 695 N 6.37 1.49 -0.34 0.00 0.00 -1.94 -2.78 119.26 122.06 3cda h ALA 695 Ca -0.32 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 3cda h ALA 695 Cb 1.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3cda h ALA 695 CO 0.30 0.06 -0.08 0.97 0.00 0.00 0.00 179.25 180.50 3cda h ILE 696 N 0.00 1.23 -0.07 0.00 2.10 -1.97 -0.79 117.51 118.00 3cda h ILE 696 Ca -0.00 -0.98 -0.14 0.00 1.08 0.00 0.00 64.86 64.81 3cda h ILE 696 Cb 0.12 1.05 -0.01 0.00 -1.09 0.00 0.00 36.82 36.90 3cda h ILE 696 CO 0.01 0.33 -0.59 0.78 -1.08 0.00 0.00 178.15 177.60 3cda h ASN 697 N 0.53 0.27 -0.29 2.19 2.35 -1.77 -1.68 115.58 117.19 3cda h ASN 697 Ca 0.10 -0.15 -0.18 0.00 -0.55 0.00 0.00 56.30 55.53 3cda h ASN 697 Cb 0.46 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3cda h ASN 697 CO 0.02 0.79 -0.50 -0.25 -1.65 0.00 0.00 177.43 175.84 3cda h TRP 698 N 0.18 1.06 0.17 1.19 2.91 -1.43 -1.11 115.95 118.93 3cda h TRP 698 Ca -0.00 -0.37 -0.35 0.00 1.13 0.00 0.00 58.89 59.29 3cda h TRP 698 Cb 1.08 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 29.53 3cda h TRP 698 CO 0.02 1.19 -1.80 0.82 -1.03 0.00 0.00 178.44 177.64 3cda h ILE 699 N 0.63 0.88 0.00 2.65 2.04 -1.19 -3.38 117.51 119.14 3cda h ILE 699 Ca 0.02 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.39 3cda h ILE 699 Cb 1.11 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.90 3cda h ILE 699 CO 0.11 0.87 -1.39 -0.62 0.00 0.00 0.00 178.15 177.13 3cda n GLU 700 N -3.57 0.31 -0.24 2.37 -0.58 -0.63 -5.10 120.64 113.20 3cda n GLU 700 Ca -0.26 -0.08 0.03 0.00 -0.42 0.00 0.00 57.16 56.43 3cda n GLU 700 Cb 1.07 -1.53 -0.01 0.00 -0.57 0.00 0.00 31.44 30.40 3cda n GLU 700 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3cda n GLY 701 N 1.38 -2.50 3.57 0.62 0.00 -0.42 -5.02 105.19 102.83 3cda n GLY 701 Ca 0.01 -1.40 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 3cda n GLY 701 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cda s ARG 702 N -2.85 0.69 7.59 1.61 3.52 -1.06 -4.68 118.95 123.76 3cda s ARG 702 Ca 0.00 1.08 0.00 0.00 -0.13 0.00 0.00 55.73 56.68 3cda s ARG 702 Cb 0.00 0.20 0.00 0.00 -1.56 0.00 0.00 34.95 33.59 3cda s ARG 702 CO 0.00 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 174.77 3cda n GLY 703 N 3.79 2.97 3.67 8.12 0.00 -0.75 -3.08 105.19 119.91 3cda n GLY 703 Ca -0.18 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 3cda n GLY 703 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cda s LYS 704 N 0.00 4.16 -0.19 1.61 -0.14 -0.07 -1.11 119.74 124.01 3cda s LYS 704 Ca 0.00 0.15 -0.15 0.00 -1.36 0.00 0.00 55.97 54.62 3cda s LYS 704 Cb 0.00 -3.54 -0.04 0.00 -1.68 0.00 0.00 37.83 32.57 3cda s LYS 704 CO 0.00 -0.03 0.33 -1.12 -0.76 0.00 0.00 175.35 173.77 3cda s SER 705 N 1.05 6.41 0.03 2.83 0.01 -0.41 -0.70 113.70 122.91 3cda s SER 705 Ca 0.18 0.48 0.02 0.00 1.31 0.00 0.00 55.95 57.94 3cda s SER 705 Cb -0.15 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 3cda s SER 705 CO 0.08 0.01 -0.08 -0.69 0.41 0.00 0.00 173.24 172.97 3cda s VAL 706 N 0.92 0.57 0.02 3.43 1.01 -0.08 0.00 120.40 126.27 3cda s VAL 706 Ca 0.17 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.35 3cda s VAL 706 Cb -0.14 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 3cda s VAL 706 CO 0.06 -0.22 -0.16 0.54 0.00 0.00 0.00 175.10 175.33 3cda s VAL 707 N -1.00 1.25 0.05 2.92 0.11 -0.59 -0.97 120.40 122.16 3cda s VAL 707 Ca -0.06 -0.89 0.02 0.00 -2.93 0.00 0.00 61.98 58.12 3cda s VAL 707 Cb -0.08 -1.08 -0.03 0.00 -1.53 0.00 0.00 36.38 33.66 3cda s VAL 707 CO 0.00 0.18 -0.06 0.00 -3.33 0.00 0.00 175.10 171.88 3cda s GLU 709 N -2.19 1.06 0.04 0.00 -1.05 -0.34 -1.27 118.70 114.94 3cda s GLU 709 Ca -0.05 -0.77 -0.27 0.00 -0.15 0.00 0.00 54.97 53.72 3cda s GLU 709 Cb -0.06 0.45 0.08 0.00 -0.44 0.00 0.00 34.13 34.16 3cda s GLU 709 CO -0.02 -0.41 0.68 0.00 0.95 0.00 0.00 175.26 176.47 3cda s ALA 710 N -3.82 -1.71 -0.19 -0.84 0.00 -0.42 -1.52 121.76 113.26 3cda s ALA 710 Ca 0.04 0.95 -0.03 0.00 0.00 0.00 0.00 51.96 52.92 3cda s ALA 710 Cb 0.02 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 3cda s ALA 710 CO -0.11 -0.57 -0.07 0.08 0.00 0.00 0.00 175.76 175.09 3cda s VAL 711 N -2.47 3.26 -0.40 0.00 1.01 -1.26 -1.12 120.40 119.42 3cda s VAL 711 Ca -0.04 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 3cda s VAL 711 Cb -0.01 -2.44 0.05 0.00 0.00 0.00 0.00 36.38 33.98 3cda s VAL 711 CO -0.02 0.46 0.24 -0.63 0.00 0.00 0.00 175.10 175.15 3cda s ILE 712 N 1.07 4.47 0.48 2.22 -1.09 0.47 -4.58 121.20 124.23 3cda s ILE 712 Ca 0.00 -1.08 -0.21 0.00 -2.23 0.00 0.00 60.65 57.14 3cda s ILE 712 Cb -0.15 -3.59 -0.10 0.00 -1.58 0.00 0.00 42.46 37.03 3cda s ILE 712 CO -0.01 -0.36 0.64 -2.65 -1.23 0.00 0.00 174.94 171.33 3cda n PRO 713 N 4.98 0.70 -0.18 2.79 -0.02 -1.26 -1.71 135.00 140.29 3cda n PRO 713 Ca -0.11 0.26 -0.01 0.00 -2.02 0.00 0.00 63.50 61.61 3cda n PRO 713 Cb 0.45 -1.69 0.06 0.00 -0.02 0.00 0.00 33.50 32.29 3cda n PRO 713 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cda h ALA 714 N 0.72 0.42 -0.80 3.55 0.00 -1.93 -0.84 119.26 120.37 3cda h ALA 714 Ca -0.43 0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.72 3cda h ALA 714 Cb 1.39 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 19.51 3cda h ALA 714 CO 0.51 -0.42 0.53 -0.22 0.00 0.00 0.00 179.25 179.64 3cda h LYS 715 N 0.03 0.93 -0.42 0.00 3.64 -1.91 -1.83 116.57 117.02 3cda h LYS 715 Ca 0.27 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.49 3cda h LYS 715 Cb 0.43 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3cda h LYS 715 CO -0.54 0.62 -0.14 0.28 -2.27 0.00 0.00 179.45 177.40 3cda h VAL 716 N 0.96 1.28 -0.50 2.00 2.07 -1.50 0.26 116.25 120.81 3cda h VAL 716 Ca 0.33 -1.26 0.02 0.00 0.82 0.00 0.00 66.70 66.61 3cda h VAL 716 Cb 0.09 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3cda h VAL 716 CO -0.10 0.43 0.33 0.58 0.02 0.00 0.00 177.57 178.83 3cda h VAL 717 N 0.66 1.08 0.12 2.57 2.07 -0.97 -1.34 116.25 120.44 3cda h VAL 717 Ca 0.10 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3cda h VAL 717 Cb 0.69 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3cda h VAL 717 CO 0.05 0.11 -0.06 -0.09 0.02 0.00 0.00 177.57 177.60 3cda h ARG 718 N 0.61 -0.15 0.15 1.57 2.43 -0.92 -1.82 114.38 116.24 3cda h ARG 718 Ca 0.20 0.01 -0.27 0.00 -0.81 0.00 0.00 59.98 59.10 3cda h ARG 718 Cb 0.04 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3cda h ARG 718 CO -0.05 0.33 -1.32 0.93 -1.51 0.00 0.00 179.97 178.35 3cda h GLU 719 N -0.84 0.32 0.00 0.20 5.08 -0.90 -2.33 114.58 116.11 3cda h GLU 719 Ca -0.02 -0.56 -0.04 0.00 -1.00 0.00 0.00 59.36 57.75 3cda h GLU 719 Cb 0.55 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3cda h GLU 719 CO 0.03 1.27 -0.25 0.28 -1.00 0.00 0.00 179.01 179.33 3cda h VAL 720 N -0.20 1.29 -0.00 3.13 2.07 -1.45 -3.39 116.25 117.69 3cda h VAL 720 Ca -0.26 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.20 3cda h VAL 720 Cb 1.84 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 34.13 3cda h VAL 720 CO 0.13 0.44 -0.50 0.18 0.02 0.00 0.00 177.57 177.83 3cda n LEU 721 N -4.60 0.53 -3.21 2.57 4.77 -1.15 -4.98 117.00 110.93 3cda n LEU 721 Ca -0.12 -0.02 -0.22 0.00 -0.03 0.00 0.00 56.01 55.62 3cda n LEU 721 Cb 0.43 -0.24 0.06 0.00 -2.33 0.00 0.00 43.42 41.35 3cda n LEU 721 CO 0.25 0.13 0.18 0.29 -1.33 0.00 0.00 177.39 176.91 3cda n LYS 722 N -1.48 -6.71 -0.23 3.23 4.76 -0.72 -4.64 118.16 112.37 3cda n LYS 722 Ca 0.06 0.77 0.00 0.00 -2.87 0.00 0.00 58.31 56.27 3cda n LYS 722 Cb 0.34 -5.58 0.00 0.00 -1.84 0.00 0.00 35.03 27.95 3cda n LYS 722 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 3cda n THR 723 N -4.72 0.00 -4.34 -0.18 5.66 -0.99 -4.69 114.28 105.02 3cda n THR 723 Ca -0.02 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.80 3cda n THR 723 Cb 0.57 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.25 3cda n THR 723 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3cda s THR 724 N -2.85 1.61 0.28 1.09 -4.23 -1.26 -3.31 115.64 106.97 3cda s THR 724 Ca 0.00 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.34 3cda s THR 724 Cb 0.00 -2.08 0.28 0.00 1.34 0.00 0.00 72.50 72.04 3cda s THR 724 CO 0.00 -0.57 1.84 0.74 -0.54 0.00 0.00 174.62 176.10 3cda h THR 725 N 2.55 0.96 -0.12 3.99 2.02 -1.90 -1.76 112.91 118.64 3cda h THR 725 Ca -0.38 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 3cda h THR 725 Cb 1.22 -0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3cda h THR 725 CO 0.63 0.19 -0.01 -0.08 0.37 0.00 0.00 175.52 176.61 3cda h GLU 726 N 1.03 0.23 -0.67 6.66 4.81 -1.94 -2.03 114.58 122.67 3cda h GLU 726 Ca 0.48 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.59 3cda h GLU 726 Cb 0.42 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 3cda h GLU 726 CO -0.25 0.50 0.24 0.00 -0.73 0.00 0.00 179.01 178.78 3cda h ALA 727 N 0.72 1.17 -0.58 2.92 0.00 -1.92 -1.83 119.26 119.75 3cda h ALA 727 Ca 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3cda h ALA 727 Cb 0.41 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3cda h ALA 727 CO 0.01 0.59 0.28 0.52 0.00 0.00 0.00 179.25 180.65 3cda h MET 728 N 0.97 0.83 -0.28 0.00 2.86 -1.25 -2.04 114.93 116.02 3cda h MET 728 Ca 0.22 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.65 3cda h MET 728 Cb 0.22 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3cda h MET 728 CO -0.02 0.67 -0.22 0.82 1.06 0.00 0.00 176.91 179.22 3cda h ILE 729 N 0.79 1.26 -0.27 -1.22 2.04 -1.01 -1.19 117.51 117.91 3cda h ILE 729 Ca 0.20 -1.23 -0.15 0.00 1.00 0.00 0.00 64.86 64.67 3cda h ILE 729 Cb 0.11 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3cda h ILE 729 CO -0.03 0.40 -0.46 -0.08 0.00 0.00 0.00 178.15 177.98 3cda h GLU 730 N 0.46 0.70 -0.06 2.37 4.81 -1.12 -1.78 114.58 119.96 3cda h GLU 730 Ca 0.07 -0.39 -0.19 0.00 -0.13 0.00 0.00 59.36 58.72 3cda h GLU 730 Cb 0.65 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.06 3cda h GLU 730 CO 0.05 1.01 -0.71 0.28 -0.73 0.00 0.00 179.01 178.90 3cda h VAL 731 N 0.56 1.34 -0.12 0.32 2.07 -1.21 -2.86 116.25 116.35 3cda h VAL 731 Ca 0.03 -2.02 0.01 0.00 0.82 0.00 0.00 66.70 65.54 3cda h VAL 731 Cb 1.01 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 3cda h VAL 731 CO 0.10 0.61 0.05 -1.13 0.02 0.00 0.00 177.57 177.22 3cda h ASN 732 N 0.21 0.07 -0.07 0.57 -1.24 -1.18 0.94 115.58 114.89 3cda h ASN 732 Ca -0.07 0.01 0.02 0.00 0.71 0.00 0.00 56.30 56.97 3cda h ASN 732 Cb 1.38 -0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.40 3cda h ASN 732 CO 0.14 0.06 -0.06 0.40 -1.29 0.00 0.00 177.43 176.69 3cda h ILE 733 N 0.12 0.84 0.00 2.57 2.04 -1.41 -0.71 117.51 120.95 3cda h ILE 733 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3cda h ILE 733 Cb 0.02 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3cda h ILE 733 CO -0.04 0.00 -0.46 0.59 0.00 0.00 0.00 178.15 178.24 3cda n ASN 734 N -5.18 0.55 -0.05 1.72 3.02 -1.08 -1.09 115.26 113.16 3cda n ASN 734 Ca -0.05 0.07 -0.05 0.00 -0.03 0.00 0.00 54.58 54.52 3cda n ASN 734 Cb 0.11 0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.30 3cda n ASN 734 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3cda n LYS 735 N -1.83 0.30 0.19 3.52 4.81 0.30 -1.90 118.16 123.55 3cda n LYS 735 Ca 0.05 0.12 0.07 0.00 -0.87 0.00 0.00 58.31 57.68 3cda n LYS 735 Cb 0.39 -1.00 0.24 0.00 0.02 0.00 0.00 35.03 34.68 3cda n LYS 735 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3cda h ASN 736 N -0.56 0.00 0.00 3.14 2.35 -1.26 -1.58 115.58 117.67 3cda h ASN 736 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3cda h ASN 736 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 3cda h ASN 736 CO 0.00 0.31 0.00 0.18 -1.65 0.00 0.00 177.43 176.27 3cda n LEU 737 N -3.29 0.00 -0.09 1.61 4.77 -1.09 -4.03 117.00 114.88 3cda n LEU 737 Ca 0.01 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.90 3cda n LEU 737 Cb 0.57 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 3cda n LEU 737 CO 0.36 -0.33 0.98 0.58 -1.33 0.00 0.00 177.39 177.65 3cda h VAL 738 N 0.00 1.10 -0.28 4.08 2.07 -1.29 0.78 116.25 122.72 3cda h VAL 738 Ca 0.00 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3cda h VAL 738 Cb 0.00 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3cda h VAL 738 CO 0.00 0.10 0.15 1.23 0.02 0.00 0.00 177.57 179.07 3cda h GLY 739 N 0.39 0.42 1.41 2.17 0.00 -0.99 0.40 103.07 106.87 3cda h GLY 739 Ca 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 3cda h GLY 739 CO -0.02 0.18 0.13 1.76 0.00 0.00 0.00 176.54 178.59 3cda h SER 740 N 0.33 0.69 -0.21 0.19 0.02 -1.12 -1.61 113.55 111.84 3cda h SER 740 Ca 0.10 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3cda h SER 740 Cb 0.08 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3cda h SER 740 CO -0.01 0.68 0.11 0.00 -1.14 0.00 0.00 176.83 176.46 3cda h ALA 741 N 1.42 0.27 -0.19 3.77 0.00 -0.17 -0.94 119.26 123.41 3cda h ALA 741 Ca 0.16 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3cda h ALA 741 Cb 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3cda h ALA 741 CO -0.00 -0.18 -0.14 0.52 0.00 0.00 0.00 179.25 179.45 3cda h MET 742 N 0.22 0.31 0.00 0.00 2.86 -0.73 -2.06 114.93 115.53 3cda h MET 742 Ca 0.07 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3cda h MET 742 Cb 0.09 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.71 3cda h MET 742 CO -0.01 0.45 0.00 0.00 1.06 0.00 0.00 176.91 178.41 3cda n ALA 743 N -2.49 1.92 -2.45 6.32 0.00 -0.62 -4.92 120.51 118.27 3cda n ALA 743 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 53.44 53.40 3cda n ALA 743 Cb 0.29 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.38 3cda n ALA 743 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cda n GLY 744 N 0.57 0.86 3.78 0.00 0.00 -0.77 -5.02 105.19 104.60 3cda n GLY 744 Ca 0.04 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 3cda n GLY 744 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cda s SER 745 N -3.01 6.95 -0.30 1.61 0.15 -0.41 -5.04 113.70 113.66 3cda s SER 745 Ca 0.01 1.13 -0.06 0.00 0.70 0.00 0.00 55.95 57.73 3cda s SER 745 Cb -0.00 -2.35 0.02 0.00 -1.71 0.00 0.00 66.02 61.98 3cda s SER 745 CO 0.01 0.15 0.07 -0.63 1.20 0.00 0.00 173.24 174.05 3cda s ILE 746 N -0.40 3.81 0.00 6.45 -1.09 -1.26 -4.72 121.20 123.99 3cda s ILE 746 Ca 0.29 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 57.91 3cda s ILE 746 Cb -0.18 -3.00 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 3cda s ILE 746 CO 0.17 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.54 3cda n GLY 747 N 4.84 1.88 2.90 6.18 0.00 -1.26 -4.92 105.19 114.80 3cda n GLY 747 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3cda n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cda n GLY 748 N -2.00 5.53 2.59 -0.02 0.00 -1.26 -1.42 105.19 108.61 3cda n GLY 748 Ca 0.00 -2.48 -0.40 0.00 0.00 0.00 0.00 46.02 43.14 3cda n GLY 748 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cda n TYR 749 N -0.55 2.68 -3.58 1.61 4.02 -0.68 -4.82 117.16 115.83 3cda n TYR 749 Ca 0.54 -2.63 -0.11 0.00 -0.01 0.00 0.00 57.90 55.69 3cda n TYR 749 Cb 0.25 -1.45 -0.03 0.00 -0.02 0.00 0.00 39.34 38.09 3cda n TYR 749 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3cda s ASN 750 N -0.63 -0.39 -0.04 7.72 2.20 -1.20 -1.18 114.94 121.42 3cda s ASN 750 Ca 0.46 -0.23 -0.10 0.00 -0.94 0.00 0.00 52.86 52.05 3cda s ASN 750 Cb 0.20 0.57 -0.05 0.00 -2.00 0.00 0.00 41.25 39.97 3cda s ASN 750 CO -0.13 -0.98 0.47 0.00 -2.94 0.00 0.00 177.10 173.52 3cda h ALA 751 N 2.14 -0.42 -0.10 3.54 0.00 -1.92 -3.45 119.26 119.04 3cda h ALA 751 Ca -0.32 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.33 3cda h ALA 751 Cb 1.28 0.14 -0.21 0.00 0.00 0.00 0.00 17.79 19.00 3cda h ALA 751 CO 0.39 -0.40 -0.47 -2.39 0.00 0.00 0.00 179.25 176.39 3cda n HIS 752 N -4.40 -1.29 -0.34 0.00 1.44 -1.26 -4.95 115.22 104.42 3cda n HIS 752 Ca -0.04 -1.80 0.24 0.00 -2.01 0.00 0.00 57.72 54.11 3cda n HIS 752 Cb 0.14 1.14 0.48 0.00 0.12 0.00 0.00 29.99 31.87 3cda n HIS 752 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3cda h ALA 753 N 1.36 2.00 -0.60 1.59 0.00 -1.87 -0.01 119.26 121.73 3cda h ALA 753 Ca -0.38 0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.77 3cda h ALA 753 Cb 1.30 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 3cda h ALA 753 CO -0.11 -0.59 0.40 0.00 0.00 0.00 0.00 179.25 178.95 3cda h ALA 754 N 1.81 1.87 -0.42 0.00 0.00 -1.93 -0.59 119.26 120.01 3cda h ALA 754 Ca 0.72 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.62 3cda h ALA 754 Cb 1.68 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 3cda h ALA 754 CO -0.57 0.02 0.26 -0.91 0.00 0.00 0.00 179.25 178.05 3cda h ASN 755 N 0.53 0.49 -0.02 0.00 2.35 -1.40 -1.49 115.58 116.05 3cda h ASN 755 Ca 0.27 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.92 3cda h ASN 755 Cb 0.36 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3cda h ASN 755 CO -0.08 0.39 -0.19 0.40 -1.65 0.00 0.00 177.43 176.30 3cda h ILE 756 N 0.55 1.51 -0.02 2.81 5.03 -1.48 -2.22 117.51 123.69 3cda h ILE 756 Ca 0.15 -1.77 0.03 0.00 -0.12 0.00 0.00 64.86 63.16 3cda h ILE 756 Cb -0.02 2.59 -0.05 0.00 -3.03 0.00 0.00 36.82 36.31 3cda h ILE 756 CO -0.03 0.48 -0.28 0.58 -0.68 0.00 0.00 178.15 178.22 3cda h VAL 757 N -0.45 0.37 -0.60 1.67 2.07 -1.16 -0.45 116.25 117.70 3cda h VAL 757 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 3cda h VAL 757 Cb 0.89 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 3cda h VAL 757 CO 0.04 0.00 0.34 0.74 0.02 0.00 0.00 177.57 178.71 3cda h THR 758 N -0.41 1.00 -0.28 2.57 2.02 -1.35 0.21 112.91 116.66 3cda h THR 758 Ca 0.07 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 3cda h THR 758 Cb 0.51 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3cda h THR 758 CO -0.26 0.12 0.09 0.00 0.37 0.00 0.00 175.52 175.84 3cda h ALA 759 N 1.30 0.36 -0.34 6.16 0.00 -0.97 -1.06 119.26 124.72 3cda h ALA 759 Ca 0.26 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3cda h ALA 759 Cb 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3cda h ALA 759 CO -0.15 -0.02 -0.21 0.82 0.00 0.00 0.00 179.25 179.69 3cda h ILE 760 N 0.29 1.27 -0.44 0.00 2.04 -0.88 -0.12 117.51 119.67 3cda h ILE 760 Ca 0.09 -1.27 -0.09 0.00 1.00 0.00 0.00 64.86 64.59 3cda h ILE 760 Cb 0.22 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3cda h ILE 760 CO -0.00 0.42 -0.09 1.88 0.00 0.00 0.00 178.15 180.35 3cda h TYR 761 N 0.57 0.93 -0.20 1.37 -1.99 -0.28 -0.46 116.97 116.92 3cda h TYR 761 Ca 0.09 -0.20 -0.05 0.00 2.00 0.00 0.00 58.73 60.57 3cda h TYR 761 Cb 0.67 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 39.17 3cda h TYR 761 CO 0.03 0.93 -0.06 0.82 -0.00 0.00 0.00 178.16 179.89 3cda h ILE 762 N 0.66 1.29 -0.76 -2.88 2.04 -1.19 0.36 117.51 117.03 3cda h ILE 762 Ca 0.11 -1.05 0.07 0.00 1.00 0.00 0.00 64.86 64.99 3cda h ILE 762 Cb 0.62 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 38.23 3cda h ILE 762 CO 0.04 0.32 0.50 0.00 0.00 0.00 0.00 178.15 179.01 3cda h ALA 763 N 0.73 1.67 -0.38 1.87 0.00 -1.34 -3.22 119.26 118.59 3cda h ALA 763 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3cda h ALA 763 Cb 0.51 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3cda h ALA 763 CO 0.02 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.48 3cda n GLY 765 N -0.02 0.29 3.93 0.00 0.00 -1.04 -4.57 105.19 103.79 3cda n GLY 765 Ca 0.23 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 3cda n GLY 765 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cda s GLN 766 N -4.04 2.47 -0.67 1.61 -1.52 0.09 -2.75 119.66 114.85 3cda s GLN 766 Ca 0.00 -0.21 -0.28 0.00 -1.95 0.00 0.00 55.36 52.93 3cda s GLN 766 Cb 0.00 -2.23 0.03 0.00 -0.22 0.00 0.00 33.01 30.59 3cda s GLN 766 CO 0.00 -1.02 1.24 0.34 -0.25 0.00 0.00 175.29 175.60 3cda s ASP 767 N -4.44 6.28 0.59 5.90 -1.08 -1.26 -4.71 116.67 117.95 3cda s ASP 767 Ca 0.58 -0.21 0.37 0.00 -0.52 0.00 0.00 52.55 52.77 3cda s ASP 767 Cb -0.11 -2.56 1.71 0.00 -1.46 0.00 0.00 42.92 40.51 3cda s ASP 767 CO 0.44 -1.69 2.11 0.00 0.52 0.00 0.00 175.17 176.56 3cda h ALA 768 N 9.83 1.01 0.00 3.66 0.00 -1.95 -0.98 119.26 130.83 3cda h ALA 768 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3cda h ALA 768 Cb 1.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3cda h ALA 768 CO 1.24 0.01 0.00 0.00 0.00 0.00 0.00 179.25 180.50 3cda h ALA 769 N 1.99 1.00 0.00 0.00 0.00 -2.01 -2.60 119.26 117.64 3cda h ALA 769 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3cda h ALA 769 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3cda h ALA 769 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 3cda n GLN 770 N -2.85 0.98 0.31 0.00 6.02 -0.37 -3.36 117.38 118.12 3cda n GLN 770 Ca 0.02 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.20 3cda n GLN 770 Cb 0.34 -1.25 1.04 0.00 1.02 0.00 0.00 30.24 31.39 3cda n GLN 770 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 177.06 173.10 3cda h ASN 771 N 0.00 0.00 -0.00 1.08 7.08 -1.62 -0.23 115.58 121.89 3cda h ASN 771 Ca 0.00 0.00 0.03 0.00 -3.08 0.00 0.00 56.30 53.25 3cda h ASN 771 Cb 0.00 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.19 3cda h ASN 771 CO 0.00 0.02 -0.34 0.58 -2.08 0.00 0.00 177.43 175.60 3cda h VAL 772 N 0.00 0.27 0.07 6.14 2.07 -1.82 -2.10 116.25 120.88 3cda h VAL 772 Ca -0.00 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.19 3cda h VAL 772 Cb 0.11 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3cda h VAL 772 CO 0.00 0.00 -1.85 1.23 0.02 0.00 0.00 177.57 176.97 3cda h GLY 773 N -0.49 0.17 2.00 2.17 0.00 -1.83 -3.37 103.07 101.71 3cda h GLY 773 Ca 0.06 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 3cda h GLY 773 CO -0.28 0.39 -0.02 1.76 0.00 0.00 0.00 176.54 178.39 3cda h SER 774 N 0.04 0.00 0.73 0.19 0.02 -1.00 -1.83 113.55 111.70 3cda h SER 774 Ca -0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3cda h SER 774 Cb 2.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.57 3cda h SER 774 CO 0.09 0.02 -0.04 -1.20 -1.14 0.00 0.00 176.83 174.56 3cda n SER 775 N -3.72 0.08 -4.67 3.07 7.64 -0.79 -4.53 113.62 110.70 3cda n SER 775 Ca -0.03 0.08 -0.51 0.00 1.01 0.00 0.00 58.87 59.42 3cda n SER 775 Cb 0.11 -0.32 -0.06 0.00 -1.01 0.00 0.00 64.21 62.93 3cda n SER 775 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3cda n ASN 776 N -1.36 2.65 -3.64 6.43 3.02 -0.69 -4.58 115.26 117.09 3cda n ASN 776 Ca 0.11 1.06 -0.09 0.00 -0.03 0.00 0.00 54.58 55.63 3cda n ASN 776 Cb 0.29 -1.27 -0.07 0.00 -0.61 0.00 0.00 39.78 38.12 3cda n ASN 776 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cda s ILE 778 N 1.16 3.10 -0.25 0.00 2.07 -0.60 -1.69 121.20 124.99 3cda s ILE 778 Ca -0.06 -0.59 -0.08 0.00 -1.41 0.00 0.00 60.65 58.50 3cda s ILE 778 Cb -0.05 -2.38 -0.03 0.00 0.13 0.00 0.00 42.46 40.12 3cda s ILE 778 CO -0.13 0.45 0.10 -0.89 -1.91 0.00 0.00 174.94 172.56 3cda s THR 779 N 1.35 4.59 0.02 4.00 2.01 -0.33 -1.56 115.64 125.71 3cda s THR 779 Ca 0.04 -0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.03 3cda s THR 779 Cb -0.14 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.19 3cda s THR 779 CO -0.04 0.33 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.26 3cda s LEU 780 N 1.51 2.47 -0.04 4.42 1.43 -0.30 -4.89 118.68 123.28 3cda s LEU 780 Ca 0.06 -0.42 -0.00 0.00 -1.03 0.00 0.00 54.13 52.74 3cda s LEU 780 Cb -0.15 -1.46 0.03 0.00 0.03 0.00 0.00 46.19 44.64 3cda s LEU 780 CO 0.05 0.28 0.01 -0.04 0.23 0.00 0.00 176.35 176.88 3cda s MET 781 N -1.15 0.29 0.15 1.70 -1.94 -1.26 -0.97 119.30 116.13 3cda s MET 781 Ca 0.13 0.12 0.05 0.00 -1.71 0.00 0.00 55.69 54.28 3cda s MET 781 Cb -0.10 -0.55 -0.04 0.00 2.01 0.00 0.00 34.83 36.14 3cda s MET 781 CO 0.03 -0.18 -0.11 -1.21 -0.01 0.00 0.00 175.02 173.54 3cda s GLU 782 N 1.31 1.09 0.39 2.03 2.02 -0.19 -4.83 118.70 120.51 3cda s GLU 782 Ca -0.06 -1.47 -0.25 0.00 0.02 0.00 0.00 54.97 53.22 3cda s GLU 782 Cb -0.13 -0.68 -0.09 0.00 0.10 0.00 0.00 34.13 33.34 3cda s GLU 782 CO -0.02 0.09 1.12 0.00 0.02 0.00 0.00 175.26 176.46 3cda s ALA 783 N -3.29 3.14 0.21 5.21 0.00 -1.26 -1.06 121.76 124.71 3cda s ALA 783 Ca 0.17 0.86 -0.09 0.00 0.00 0.00 0.00 51.96 52.90 3cda s ALA 783 Cb 0.02 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 3cda s ALA 783 CO 0.01 -0.39 0.36 0.45 0.00 0.00 0.00 175.76 176.18 3cda s SER 784 N -1.28 -0.01 0.00 0.00 0.15 0.16 -4.75 113.70 107.97 3cda s SER 784 Ca 0.57 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 56.22 3cda s SER 784 Cb -0.28 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 3cda s SER 784 CO 0.35 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.39 3cda n GLY 785 N -0.31 -0.22 0.27 9.45 0.00 -1.26 -0.42 105.19 112.70 3cda n GLY 785 Ca -0.03 -1.75 -0.06 0.00 0.00 0.00 0.00 46.02 44.19 3cda n GLY 785 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3cda h PRO 786 N 0.00 0.88 -0.01 1.61 0.11 -2.01 -2.35 132.00 130.24 3cda h PRO 786 Ca 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3cda h PRO 786 Cb 0.00 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 30.92 3cda h PRO 786 CO 0.00 0.63 0.00 0.25 -0.21 0.00 0.00 178.00 178.67 3cda n THR 787 N -4.58 0.01 -2.55 -1.15 -2.24 -1.26 -4.90 114.28 97.60 3cda n THR 787 Ca 0.05 -0.07 -0.20 0.00 -2.27 0.00 0.00 64.05 61.56 3cda n THR 787 Cb 0.05 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 3cda n THR 787 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3cda n ASN 788 N -0.66 -5.73 -0.02 3.42 4.05 -0.88 -4.89 115.26 110.54 3cda n ASN 788 Ca 0.22 -0.09 0.01 0.00 0.45 0.00 0.00 54.58 55.17 3cda n ASN 788 Cb 0.17 -4.70 -0.01 0.00 1.23 0.00 0.00 39.78 36.47 3cda n ASN 788 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3cda n GLU 789 N -3.18 5.01 -2.47 1.20 1.02 -0.65 -4.29 120.64 117.29 3cda n GLU 789 Ca -0.20 -0.11 -0.33 0.00 -0.02 0.00 0.00 57.16 56.51 3cda n GLU 789 Cb 0.66 -0.70 -0.04 0.00 -0.02 0.00 0.00 31.44 31.34 3cda n GLU 789 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3cda s ASP 790 N -1.12 6.60 -0.43 1.62 1.01 0.44 -4.07 116.67 120.72 3cda s ASP 790 Ca 0.02 1.65 -0.12 0.00 0.71 0.00 0.00 52.55 54.80 3cda s ASP 790 Cb 0.02 -2.52 0.07 0.00 1.01 0.00 0.00 42.92 41.50 3cda s ASP 790 CO 0.11 -0.60 0.31 -0.22 0.21 0.00 0.00 175.17 174.97 3cda s LEU 791 N -3.86 5.28 -0.07 1.23 0.20 -0.70 0.39 118.68 121.16 3cda s LEU 791 Ca 0.61 -1.36 -0.30 0.00 0.69 0.00 0.00 54.13 53.77 3cda s LEU 791 Cb -0.11 -2.07 -0.02 0.00 -0.43 0.00 0.00 46.19 43.56 3cda s LEU 791 CO 0.27 -0.56 1.04 -0.47 -0.29 0.00 0.00 176.35 176.33 3cda s TYR 792 N 1.53 3.49 -0.02 5.38 5.04 -0.23 -0.40 117.35 132.14 3cda s TYR 792 Ca 0.03 1.55 0.04 0.00 -2.44 0.00 0.00 57.07 56.25 3cda s TYR 792 Cb -0.23 -3.22 -0.00 0.00 0.35 0.00 0.00 41.96 38.86 3cda s TYR 792 CO 0.05 -0.37 -0.13 -1.50 -1.34 0.00 0.00 175.55 172.26 3cda s ILE 793 N 1.81 1.07 0.09 3.14 2.07 -0.28 -1.03 121.20 128.07 3cda s ILE 793 Ca 0.50 -0.54 0.04 0.00 -1.41 0.00 0.00 60.65 59.24 3cda s ILE 793 Cb -0.20 -0.91 -0.03 0.00 0.13 0.00 0.00 42.46 41.44 3cda s ILE 793 CO 0.21 0.31 -0.10 -0.94 -1.91 0.00 0.00 174.94 172.51 3cda s SER 794 N -0.06 1.38 -0.06 4.50 1.04 -0.14 -1.30 113.70 119.06 3cda s SER 794 Ca 0.00 -0.78 0.03 0.00 0.48 0.00 0.00 55.95 55.69 3cda s SER 794 Cb -0.08 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.06 3cda s SER 794 CO 0.00 -0.25 -0.16 0.00 0.98 0.00 0.00 173.24 173.81 3cda s THR 796 N 0.33 2.08 -0.36 0.00 2.01 -0.60 -1.33 115.64 117.76 3cda s THR 796 Ca -0.10 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 60.94 3cda s THR 796 Cb -0.14 -1.84 0.11 0.00 0.01 0.00 0.00 72.50 70.64 3cda s THR 796 CO 0.04 0.55 0.15 -0.04 -0.69 0.00 0.00 174.62 174.62 3cda s MET 797 N 0.92 0.96 0.00 4.92 -1.94 -0.15 -1.55 119.30 122.46 3cda s MET 797 Ca -0.04 -1.46 0.29 0.00 -1.71 0.00 0.00 55.69 52.76 3cda s MET 797 Cb -0.15 -2.17 1.26 0.00 2.01 0.00 0.00 34.83 35.79 3cda s MET 797 CO -0.04 -1.05 1.89 -0.35 -0.01 0.00 0.00 175.02 175.45 3cda n PRO 798 N 4.32 0.61 -2.88 2.03 -0.04 -1.26 -0.90 135.00 136.88 3cda n PRO 798 Ca 0.03 -0.18 -0.13 0.00 -0.04 0.00 0.00 63.50 63.18 3cda n PRO 798 Cb 0.39 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.37 3cda n PRO 798 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3cda n SER 799 N -1.04 0.95 -4.60 3.54 3.41 -1.24 -2.57 113.62 112.07 3cda n SER 799 Ca 0.14 -2.86 -0.43 0.00 -0.26 0.00 0.00 58.87 55.47 3cda n SER 799 Cb 0.27 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 63.77 3cda n SER 799 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3cda s ILE 800 N -2.61 4.10 -0.39 -1.33 1.01 0.12 -3.21 121.20 118.90 3cda s ILE 800 Ca 0.32 1.09 -0.17 0.00 0.00 0.00 0.00 60.65 61.90 3cda s ILE 800 Cb 0.41 -4.56 0.01 0.00 0.01 0.00 0.00 42.46 38.32 3cda s ILE 800 CO -0.02 -1.05 0.42 -1.61 0.00 0.00 0.00 174.94 172.68 3cda s GLU 801 N 4.68 3.28 -0.05 2.79 2.02 -1.26 -0.89 118.70 129.28 3cda s GLU 801 Ca 0.49 -0.61 -0.27 0.00 0.02 0.00 0.00 54.97 54.61 3cda s GLU 801 Cb -0.08 -3.90 0.06 0.00 0.10 0.00 0.00 34.13 30.30 3cda s GLU 801 CO 0.31 -0.73 0.59 -1.50 0.02 0.00 0.00 175.26 173.94 3cda s ILE 802 N 2.12 0.01 0.07 -1.63 2.07 -1.26 -4.86 121.20 117.72 3cda s ILE 802 Ca 0.12 -0.12 -0.22 0.00 -1.41 0.00 0.00 60.65 59.03 3cda s ILE 802 Cb -0.17 -0.90 0.05 0.00 0.13 0.00 0.00 42.46 41.57 3cda s ILE 802 CO 0.13 -0.06 0.53 -0.83 -1.91 0.00 0.00 174.94 172.80 3cda s GLY 803 N -1.18 -0.45 0.00 1.50 0.00 -1.26 -3.73 107.32 102.20 3cda s GLY 803 Ca -0.11 0.56 0.10 0.00 0.00 0.00 0.00 44.72 45.26 3cda s GLY 803 CO 0.08 0.25 0.72 -1.30 0.00 0.00 0.00 173.10 172.86 3cda n THR 804 N 0.25 0.00 -4.45 0.90 -2.24 0.71 -4.78 114.28 104.66 3cda n THR 804 Ca -0.18 -0.46 -0.25 0.00 -2.27 0.00 0.00 64.05 60.89 3cda n THR 804 Cb 0.61 1.16 -0.13 0.00 -2.10 0.00 0.00 70.33 69.87 3cda n THR 804 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3cda s VAL 805 N -1.01 1.69 0.00 2.28 -7.23 -1.20 -1.92 120.40 113.01 3cda s VAL 805 Ca 0.10 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 3cda s VAL 805 Cb 0.08 -1.51 0.00 0.00 0.56 0.00 0.00 36.38 35.51 3cda s VAL 805 CO 0.17 0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.63 3cda n GLY 806 N 1.45 -0.25 7.00 2.32 0.00 -1.26 -4.21 105.19 110.23 3cda n GLY 806 Ca -0.18 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.08 3cda n GLY 806 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cda n GLY 807 N -0.17 2.64 0.14 -0.02 0.00 -1.26 -2.00 105.19 104.51 3cda n GLY 807 Ca 0.00 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.86 3cda n GLY 807 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cda n GLY 808 N 0.00 -1.15 0.00 -0.02 0.00 -1.13 -2.15 105.19 100.74 3cda n GLY 808 Ca 0.00 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.25 3cda n GLY 808 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cda n THR 809 N -2.23 0.15 1.30 2.61 -2.24 -0.85 -2.65 114.28 110.38 3cda n THR 809 Ca 0.01 0.04 0.14 0.00 -2.27 0.00 0.00 64.05 61.97 3cda n THR 809 Cb 0.17 -0.67 0.61 0.00 -2.10 0.00 0.00 70.33 68.34 3cda n THR 809 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3cda n ASN 810 N -1.14 0.28 -4.90 3.42 3.02 -0.92 -4.58 115.26 110.45 3cda n ASN 810 Ca 0.14 -0.25 -0.33 0.00 -0.03 0.00 0.00 54.58 54.10 3cda n ASN 810 Cb 0.13 -0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.09 3cda n ASN 810 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3cda s LEU 811 N -2.64 4.37 0.10 3.41 1.43 -1.08 -4.97 118.68 119.29 3cda s LEU 811 Ca 0.24 0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 53.53 3cda s LEU 811 Cb 0.20 -2.64 -0.06 0.00 0.03 0.00 0.00 46.19 43.71 3cda s LEU 811 CO 0.50 0.25 1.51 -0.07 0.23 0.00 0.00 176.35 178.78 3cda h LEU 812 N 3.77 0.57 -0.69 1.79 3.38 -1.90 -1.54 115.31 120.70 3cda h LEU 812 Ca -0.49 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.20 3cda h LEU 812 Cb 1.19 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 3cda h LEU 812 CO 0.69 0.78 0.39 -0.65 0.09 0.00 0.00 178.44 179.74 3cda h PRO 813 N 0.35 0.69 -0.57 1.13 0.11 -1.96 -0.24 132.00 131.52 3cda h PRO 813 Ca 0.08 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.06 3cda h PRO 813 Cb 0.52 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 3cda h PRO 813 CO 0.03 0.46 0.01 1.96 -0.21 0.00 0.00 178.00 180.24 3cda h GLN 814 N 0.71 0.97 -0.05 1.05 7.50 -1.76 -1.84 115.11 121.70 3cda h GLN 814 Ca 0.31 -0.29 -0.04 0.00 0.50 0.00 0.00 58.65 59.13 3cda h GLN 814 Cb 0.19 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 27.62 3cda h GLN 814 CO -0.18 0.95 -0.17 1.96 -1.50 0.00 0.00 178.83 179.89 3cda h GLN 815 N 0.89 0.07 -0.50 1.46 4.20 -0.60 -2.23 115.11 118.40 3cda h GLN 815 Ca 0.17 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.89 3cda h GLN 815 Cb 0.51 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 3cda h GLN 815 CO 0.02 0.24 0.29 0.00 -0.67 0.00 0.00 178.83 178.72 3cda h ALA 816 N 1.76 0.64 -0.34 3.87 0.00 -0.18 0.20 119.26 125.21 3cda h ALA 816 Ca 0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3cda h ALA 816 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3cda h ALA 816 CO 0.02 -0.01 -0.34 0.00 0.00 0.00 0.00 179.25 178.93 3cda h LEU 818 N 0.64 0.36 -0.46 0.00 3.38 -1.05 -2.92 115.31 115.26 3cda h LEU 818 Ca 0.07 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 3cda h LEU 818 Cb 0.88 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 3cda h LEU 818 CO 0.08 0.53 -0.52 1.56 0.09 0.00 0.00 178.44 180.18 3cda h GLN 819 N 0.35 0.69 -0.68 1.13 4.20 -0.22 -1.46 115.11 119.12 3cda h GLN 819 Ca 0.07 -0.42 0.15 0.00 0.06 0.00 0.00 58.65 58.50 3cda h GLN 819 Cb 0.47 0.04 -0.12 0.00 0.30 0.00 0.00 27.48 28.17 3cda h GLN 819 CO 0.03 1.04 -0.01 0.52 -0.67 0.00 0.00 178.83 179.74 3cda h MET 820 N 0.54 0.10 0.00 1.46 2.86 -1.07 -1.80 114.93 117.02 3cda h MET 820 Ca 0.02 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3cda h MET 820 Cb 1.08 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3cda h MET 820 CO 0.11 0.07 -0.21 1.28 1.06 0.00 0.00 176.91 179.21 3cda n LEU 821 N -5.32 0.56 -0.64 1.22 4.77 -1.10 -4.68 117.00 111.80 3cda n LEU 821 Ca 0.11 0.41 -0.04 0.00 -0.03 0.00 0.00 56.01 56.46 3cda n LEU 821 Cb 0.40 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3cda n LEU 821 CO 0.08 -0.07 -0.01 0.61 -1.33 0.00 0.00 177.39 176.67 3cda n GLY 822 N 1.38 0.43 0.15 -0.72 0.00 -0.68 -4.96 105.19 100.80 3cda n GLY 822 Ca 0.05 -0.66 0.02 0.00 0.00 0.00 0.00 46.02 45.44 3cda n GLY 822 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3cda n VAL 823 N -3.55 0.71 -2.15 1.61 0.24 -0.63 -5.02 118.33 109.54 3cda n VAL 823 Ca -0.02 -0.81 -0.42 0.00 -2.04 0.00 0.00 64.34 61.05 3cda n VAL 823 Cb 0.52 0.44 -0.03 0.00 -1.47 0.00 0.00 33.84 33.30 3cda n VAL 823 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3cda s GLN 824 N -0.96 4.30 1.77 7.34 -0.44 -1.16 -4.74 119.66 125.77 3cda s GLN 824 Ca 0.08 2.10 0.00 0.00 -2.50 0.00 0.00 55.36 55.04 3cda s GLN 824 Cb 0.07 -3.30 0.00 0.00 -1.64 0.00 0.00 33.01 28.14 3cda s GLN 824 CO 0.01 -0.48 0.00 0.41 0.50 0.00 0.00 175.29 175.73 3cda n GLY 825 N 3.56 -1.27 3.75 2.59 0.00 -0.81 -4.81 105.19 108.20 3cda n GLY 825 Ca 0.12 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 3cda n GLY 825 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cda s ALA 826 N -1.33 3.38 -0.59 4.61 0.00 -1.26 -4.61 121.76 121.96 3cda s ALA 826 Ca 0.00 0.83 -0.28 0.00 0.00 0.00 0.00 51.96 52.51 3cda s ALA 826 Cb 0.00 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.82 3cda s ALA 826 CO 0.00 -0.16 1.20 0.00 0.00 0.00 0.00 175.76 176.80 3cda h LYS 828 N 9.57 0.00 -0.37 0.00 1.57 -1.99 -3.03 116.57 122.32 3cda h LYS 828 Ca -0.25 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.42 3cda h LYS 828 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3cda h LYS 828 CO 1.19 0.41 -0.19 -0.44 -0.57 0.00 0.00 179.45 179.86 3cda h ASP 829 N 0.00 0.81 -2.06 0.86 3.32 -2.05 -3.42 116.42 113.88 3cda h ASP 829 Ca -0.00 -0.41 -0.44 0.00 0.02 0.00 0.00 57.03 56.20 3cda h ASP 829 Cb 0.83 -0.22 -0.33 0.00 0.22 0.00 0.00 39.33 39.83 3cda h ASP 829 CO 0.05 1.04 -0.77 0.21 -1.72 0.00 0.00 179.24 178.05 3cda s ASN 830 N -6.50 1.26 -0.33 6.45 2.47 -1.15 -5.11 114.94 112.02 3cda s ASN 830 Ca -0.12 -2.09 -0.41 0.00 0.42 0.00 0.00 52.86 50.66 3cda s ASN 830 Cb 0.10 0.29 -0.16 0.00 -1.45 0.00 0.00 41.25 40.03 3cda s ASN 830 CO 0.83 -0.22 1.81 -2.65 -3.72 0.00 0.00 177.10 173.14 3cda n PRO 831 N 3.71 0.95 0.00 0.43 -0.02 -1.17 -1.79 135.00 137.10 3cda n PRO 831 Ca 0.17 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3cda n PRO 831 Cb 0.45 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3cda n PRO 831 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cda n GLY 832 N 4.65 0.68 0.10 -1.23 0.00 -1.25 -4.79 105.19 103.35 3cda n GLY 832 Ca 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.28 3cda n GLY 832 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3cda h GLU 833 N 2.29 0.01 -0.40 1.61 4.57 -1.67 -1.08 114.58 119.91 3cda h GLU 833 Ca 0.00 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.05 3cda h GLU 833 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3cda h GLU 833 CO 0.00 0.80 -0.22 -0.91 -1.18 0.00 0.00 179.01 177.50 3cda h ASN 834 N 0.00 0.88 -0.52 1.04 2.35 -1.88 -0.73 115.58 116.72 3cda h ASN 834 Ca -0.01 -0.41 -0.11 0.00 -0.55 0.00 0.00 56.30 55.22 3cda h ASN 834 Cb 1.40 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.51 3cda h ASN 834 CO 0.10 1.10 -0.09 0.00 -1.65 0.00 0.00 177.43 176.90 3cda h ALA 835 N 0.81 0.72 -0.67 -0.83 0.00 -1.79 -0.86 119.26 116.63 3cda h ALA 835 Ca 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3cda h ALA 835 Cb 0.78 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3cda h ALA 835 CO 0.06 0.61 0.40 0.00 0.00 0.00 0.00 179.25 180.32 3cda h ARG 836 N 0.85 0.92 -0.70 0.00 3.08 -1.18 -1.36 114.38 115.98 3cda h ARG 836 Ca 0.14 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 3cda h ARG 836 Cb 0.64 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 3cda h ARG 836 CO 0.04 0.66 0.16 0.37 -1.07 0.00 0.00 179.97 180.14 3cda h GLN 837 N 0.92 1.12 -0.50 0.04 5.75 -0.91 -1.84 115.11 119.68 3cda h GLN 837 Ca 0.24 -0.28 -0.10 0.00 -0.15 0.00 0.00 58.65 58.37 3cda h GLN 837 Cb -0.02 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 3cda h GLN 837 CO -0.04 1.00 -0.09 1.25 -2.65 0.00 0.00 178.83 178.30 3cda h LEU 838 N 1.06 0.90 -0.69 -2.39 5.85 -0.80 -0.35 115.31 118.88 3cda h LEU 838 Ca 0.22 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 3cda h LEU 838 Cb 0.38 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3cda h LEU 838 CO 0.00 1.01 0.24 0.00 -0.34 0.00 0.00 178.44 179.35 3cda h ALA 839 N 1.08 0.91 -0.71 1.25 0.00 -0.97 0.35 119.26 121.16 3cda h ALA 839 Ca 0.14 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3cda h ALA 839 Cb 0.61 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3cda h ALA 839 CO 0.04 0.57 0.30 0.00 0.00 0.00 0.00 179.25 180.15 3cda h ARG 840 N 1.01 1.06 -0.74 0.00 3.08 -0.91 -1.34 114.38 116.53 3cda h ARG 840 Ca 0.23 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3cda h ARG 840 Cb 0.27 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3cda h ARG 840 CO -0.01 0.86 0.36 0.82 -1.07 0.00 0.00 179.97 180.93 3cda h ILE 841 N 1.01 1.24 -0.83 2.04 2.04 -0.65 -0.84 117.51 121.53 3cda h ILE 841 Ca 0.24 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 3cda h ILE 841 Cb 0.19 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 3cda h ILE 841 CO -0.02 0.28 0.44 0.58 0.00 0.00 0.00 178.15 179.43 3cda h VAL 842 N 1.04 1.25 -0.05 1.67 2.07 -0.44 -0.62 116.25 121.18 3cda h VAL 842 Ca 0.26 -0.63 -0.22 0.00 0.82 0.00 0.00 66.70 66.93 3cda h VAL 842 Cb 0.11 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3cda h VAL 842 CO -0.03 0.28 -0.87 0.00 0.02 0.00 0.00 177.57 176.97 3cda h GLY 844 N 0.99 0.99 1.71 0.00 0.00 -1.03 -1.67 103.07 104.07 3cda h GLY 844 Ca -0.07 -0.85 -0.16 0.00 0.00 0.00 0.00 47.33 46.26 3cda h GLY 844 CO 0.16 0.77 -0.63 -0.84 0.00 0.00 0.00 176.54 176.00 3cda h THR 845 N 0.76 1.38 -0.63 4.70 2.02 -1.04 -1.51 112.91 118.59 3cda h THR 845 Ca 0.11 -2.02 -0.01 0.00 0.77 0.00 0.00 66.41 65.27 3cda h THR 845 Cb 0.71 2.02 -0.03 0.00 -1.74 0.00 0.00 68.15 69.10 3cda h THR 845 CO 0.05 0.60 0.36 0.58 0.37 0.00 0.00 175.52 177.48 3cda h VAL 846 N 0.22 1.19 -0.50 3.16 2.07 -0.93 -0.40 116.25 121.07 3cda h VAL 846 Ca -0.01 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 3cda h VAL 846 Cb 1.16 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3cda h VAL 846 CO 0.10 0.20 0.07 -0.03 0.02 0.00 0.00 177.57 177.94 3cda h MET 847 N 0.85 0.78 -0.30 1.57 -1.53 -1.02 0.94 114.93 116.22 3cda h MET 847 Ca 0.22 -0.18 -0.01 0.00 -3.44 0.00 0.00 59.70 56.30 3cda h MET 847 Cb 0.01 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 30.94 3cda h MET 847 CO -0.04 0.74 0.16 0.00 0.14 0.00 0.00 176.91 177.91 3cda h ALA 848 N 1.33 0.38 -0.87 0.39 0.00 -0.98 -1.35 119.26 118.16 3cda h ALA 848 Ca 0.16 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3cda h ALA 848 Cb 0.35 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3cda h ALA 848 CO 0.01 -0.08 0.57 0.78 0.00 0.00 0.00 179.25 180.53 3cda h GLY 849 N 0.36 1.25 0.93 0.00 0.00 -0.50 -2.49 103.07 102.61 3cda h GLY 849 Ca 0.10 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 3cda h GLY 849 CO -0.02 0.39 0.13 0.83 0.00 0.00 0.00 176.54 177.87 3cda h GLU 850 N 1.12 0.56 0.19 4.80 4.39 -0.63 -2.13 114.58 122.88 3cda h GLU 850 Ca 0.34 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.93 3cda h GLU 850 Cb -0.04 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3cda h GLU 850 CO -0.10 0.57 -0.25 -0.07 -1.16 0.00 0.00 179.01 178.00 3cda h LEU 851 N 0.45 -0.69 -0.18 1.33 3.38 -1.06 -1.48 115.31 117.06 3cda h LEU 851 Ca 0.12 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3cda h LEU 851 Cb 0.23 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3cda h LEU 851 CO -0.01 -0.35 0.06 -1.28 0.09 0.00 0.00 178.44 176.95 3cda h SER 852 N -0.50 0.26 -0.42 -0.43 0.87 -1.42 -1.40 113.55 110.51 3cda h SER 852 Ca 0.01 -0.20 -0.10 0.00 -1.23 0.00 0.00 61.79 60.26 3cda h SER 852 Cb 0.49 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 3cda h SER 852 CO -0.09 0.40 -0.11 0.25 -0.53 0.00 0.00 176.83 176.74 3cda h LEU 853 N 0.12 0.87 -0.74 2.23 5.85 -1.36 -0.57 115.31 121.71 3cda h LEU 853 Ca 0.06 -0.27 -0.12 0.00 0.84 0.00 0.00 57.88 58.38 3cda h LEU 853 Cb 0.23 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3cda h LEU 853 CO -0.00 1.00 -0.38 0.24 -0.34 0.00 0.00 178.44 178.96 3cda h MET 854 N 0.79 0.52 -0.64 1.25 2.86 -1.23 -0.84 114.93 117.65 3cda h MET 854 Ca 0.13 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 3cda h MET 854 Cb 0.63 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 3cda h MET 854 CO 0.04 0.82 0.22 0.00 1.06 0.00 0.00 176.91 179.05 3cda h ALA 855 N 1.15 0.84 -0.18 6.32 0.00 -0.93 -0.76 119.26 125.69 3cda h ALA 855 Ca 0.04 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3cda h ALA 855 Cb 0.86 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3cda h ALA 855 CO 0.07 0.49 -0.29 0.00 0.00 0.00 0.00 179.25 179.52 3cda h ALA 856 N 1.08 1.18 0.05 0.00 0.00 -0.69 -1.22 119.26 119.66 3cda h ALA 856 Ca 0.21 -0.34 -0.26 0.00 0.00 0.00 0.00 54.91 54.51 3cda h ALA 856 Cb 0.26 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.96 3cda h ALA 856 CO -0.01 0.53 -1.08 -0.07 0.00 0.00 0.00 179.25 178.62 3cda h LEU 857 N 0.31 0.70 -0.50 0.00 3.38 -0.99 -3.29 115.31 114.91 3cda h LEU 857 Ca 0.04 -0.60 -0.17 0.00 0.09 0.00 0.00 57.88 57.24 3cda h LEU 857 Cb 0.67 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3cda h LEU 857 CO 0.05 1.41 -0.64 0.00 0.09 0.00 0.00 178.44 179.35 3cda h ALA 858 N 0.53 0.69 0.00 1.53 0.00 -1.02 -3.51 119.26 117.47 3cda h ALA 858 Ca -0.13 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3cda h ALA 858 Cb 1.74 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.46 3cda h ALA 858 CO 0.20 0.73 0.00 0.00 0.00 0.00 0.00 179.25 180.18