#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cda n PRO 442 N 0.00 2.20 -3.79 3.49 -0.02 -1.26 -4.97 135.00 130.64 3cda n PRO 442 Ca 0.00 0.80 -0.23 0.00 -2.02 0.00 0.00 63.50 62.04 3cda n PRO 442 Cb 0.00 -2.59 -0.02 0.00 -0.02 0.00 0.00 33.50 30.87 3cda n PRO 442 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3cda s ARG 443 N 1.58 3.46 0.84 -0.52 0.52 -1.26 -5.08 118.95 118.49 3cda s ARG 443 Ca 0.81 -0.58 -0.14 0.00 -0.52 0.00 0.00 55.73 55.31 3cda s ARG 443 Cb -0.67 -2.84 0.02 0.00 0.52 0.00 0.00 34.95 31.98 3cda s ARG 443 CO 0.40 0.38 0.64 -2.30 0.02 0.00 0.00 175.30 174.44 3cda n PRO 444 N -1.24 0.02 -0.26 3.54 -0.02 -1.26 -4.71 135.00 131.07 3cda n PRO 444 Ca -0.07 0.06 -0.05 0.00 -2.02 0.00 0.00 63.50 61.42 3cda n PRO 444 Cb 0.56 -1.98 0.06 0.00 -0.02 0.00 0.00 33.50 32.11 3cda n PRO 444 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3cda h ASN 445 N -1.01 0.85 -0.65 2.55 2.35 -1.97 -1.47 115.58 116.23 3cda h ASN 445 Ca -0.45 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.21 3cda h ASN 445 Cb 1.31 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 39.44 3cda h ASN 445 CO 0.40 0.64 0.22 -0.33 -1.65 0.00 0.00 177.43 176.71 3cda h GLU 446 N 0.99 1.02 -0.62 0.81 5.08 -2.00 -1.33 114.58 118.54 3cda h GLU 446 Ca 0.26 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 3cda h GLU 446 Cb -0.08 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 3cda h GLU 446 CO -0.05 0.86 0.09 1.49 -1.00 0.00 0.00 179.01 180.40 3cda h GLU 447 N 0.99 1.02 0.00 2.33 4.81 -1.82 -2.75 114.58 119.17 3cda h GLU 447 Ca 0.22 -0.28 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 3cda h GLU 447 Cb 0.26 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3cda h GLU 447 CO -0.01 0.96 -0.37 0.00 -0.73 0.00 0.00 179.01 178.86 3cda h LEU 449 N 0.00 0.84 -1.27 0.00 3.38 -1.11 -1.39 115.31 115.76 3cda h LEU 449 Ca -0.00 -0.69 -0.03 0.00 0.09 0.00 0.00 57.88 57.24 3cda h LEU 449 Cb 0.68 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3cda h LEU 449 CO 0.05 1.41 0.12 0.06 0.09 0.00 0.00 178.44 180.17 3cda h GLN 450 N 0.35 0.63 -0.54 1.13 3.07 -1.44 0.19 115.11 118.49 3cda h GLN 450 Ca -0.08 -0.10 -0.10 0.00 0.09 0.00 0.00 58.65 58.46 3cda h GLN 450 Cb 1.47 -0.11 -0.02 0.00 0.08 0.00 0.00 27.48 28.91 3cda h GLN 450 CO 0.17 0.56 -0.05 0.82 0.09 0.00 0.00 178.83 180.42 3cda h ILE 451 N 0.62 1.27 -0.29 1.86 2.04 -1.41 -0.43 117.51 121.17 3cda h ILE 451 Ca 0.14 -1.18 -0.10 0.00 1.00 0.00 0.00 64.86 64.72 3cda h ILE 451 Cb 0.20 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3cda h ILE 451 CO -0.01 0.42 -0.25 0.25 0.00 0.00 0.00 178.15 178.56 3cda h LEU 452 N 0.86 0.57 -1.25 1.44 6.46 -0.56 -2.15 115.31 120.68 3cda h LEU 452 Ca 0.15 -0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 3cda h LEU 452 Cb 0.60 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 3cda h LEU 452 CO 0.04 0.81 -0.01 0.61 -0.62 0.00 0.00 178.44 179.27 3cda n GLY 453 N -0.31 0.29 3.67 3.75 0.00 -0.01 -4.40 105.19 108.18 3cda n GLY 453 Ca -0.00 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 3cda n GLY 453 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3cda s ASN 454 N -2.02 7.17 0.32 1.61 3.84 -0.18 -4.96 114.94 120.72 3cda s ASN 454 Ca 0.34 1.47 0.16 0.00 0.21 0.00 0.00 52.86 55.05 3cda s ASN 454 Cb 0.21 -2.55 0.37 0.00 -0.55 0.00 0.00 41.25 38.73 3cda s ASN 454 CO 0.33 -0.55 1.58 0.00 -2.79 0.00 0.00 177.10 175.67 3cda h ALA 455 N 7.27 0.82 -0.49 1.71 0.00 -1.86 -2.38 119.26 124.32 3cda h ALA 455 Ca -0.26 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3cda h ALA 455 Cb 1.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3cda h ALA 455 CO 0.91 0.59 0.00 -0.85 0.00 0.00 0.00 179.25 179.90 3cda n GLU 456 N -3.39 2.58 0.00 0.00 0.28 -1.26 -4.72 120.64 114.13 3cda n GLU 456 Ca 0.01 -1.96 0.00 0.00 -0.16 0.00 0.00 57.16 55.05 3cda n GLU 456 Cb 0.63 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 31.94 3cda n GLU 456 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3cda n LYS 457 N 0.89 0.00 0.00 3.44 5.02 -1.02 -5.10 118.16 121.38 3cda n LYS 457 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3cda n LYS 457 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.56 3cda n LYS 457 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cda n GLY 458 N 3.47 -1.46 0.24 0.72 0.00 -0.83 -4.46 105.19 102.86 3cda n GLY 458 Ca 0.00 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.43 3cda n GLY 458 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cda h ALA 459 N 0.00 0.99 -0.22 4.61 0.00 -1.83 -2.42 119.26 120.39 3cda h ALA 459 Ca 0.00 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3cda h ALA 459 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3cda h ALA 459 CO 0.00 0.17 0.20 -0.22 0.00 0.00 0.00 179.25 179.41 3cda h LYS 460 N 0.00 0.00 -0.37 0.00 3.64 -1.89 -1.45 116.57 116.50 3cda h LYS 460 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3cda h LYS 460 Cb 0.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3cda h LYS 460 CO 0.02 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.39 3cda n PHE 461 N -4.01 0.48 -4.13 1.91 3.01 -0.91 -4.88 117.46 108.93 3cda n PHE 461 Ca 0.02 -0.24 -0.28 0.00 1.01 0.00 0.00 57.45 57.96 3cda n PHE 461 Cb 0.34 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.74 3cda n PHE 461 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3cda s LEU 462 N -1.43 3.57 0.66 4.37 1.43 -0.55 -5.05 118.68 121.68 3cda s LEU 462 Ca 0.38 -0.21 -0.09 0.00 -1.03 0.00 0.00 54.13 53.18 3cda s LEU 462 Cb 0.21 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 44.21 3cda s LEU 462 CO 0.30 0.12 1.02 -0.94 0.23 0.00 0.00 176.35 177.07 3cda s SER 463 N -2.76 5.56 0.21 2.29 1.04 -1.26 -4.91 113.70 113.87 3cda s SER 463 Ca 0.28 1.01 -0.09 0.00 0.48 0.00 0.00 55.95 57.62 3cda s SER 463 Cb -0.11 -1.90 0.28 0.00 0.10 0.00 0.00 66.02 64.39 3cda s SER 463 CO 0.20 -1.20 1.75 0.44 0.98 0.00 0.00 173.24 175.41 3cda h ASP 464 N -0.45 0.26 -0.60 7.02 5.19 -1.99 -1.47 116.42 124.38 3cda h ASP 464 Ca -0.45 0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.04 3cda h ASP 464 Cb 1.25 0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.77 3cda h ASP 464 CO 0.63 0.16 0.40 0.00 -3.12 0.00 0.00 179.24 177.30 3cda h ALA 465 N 1.41 1.57 -0.24 3.45 0.00 -1.98 -0.36 119.26 123.11 3cda h ALA 465 Ca 0.31 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 3cda h ALA 465 Cb 0.36 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3cda h ALA 465 CO -0.29 0.40 -0.57 0.93 0.00 0.00 0.00 179.25 179.71 3cda h GLU 466 N 0.81 0.81 -0.72 0.00 5.08 -1.75 -0.17 114.58 118.64 3cda h GLU 466 Ca 0.22 -0.55 -0.06 0.00 -1.00 0.00 0.00 59.36 57.97 3cda h GLU 466 Cb -0.09 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3cda h GLU 466 CO -0.05 1.18 0.22 0.82 -1.00 0.00 0.00 179.01 180.18 3cda h ILE 467 N 0.56 1.26 -0.45 3.13 2.04 -0.83 -1.32 117.51 121.90 3cda h ILE 467 Ca -0.00 -0.89 -0.13 0.00 1.00 0.00 0.00 64.86 64.84 3cda h ILE 467 Cb 1.19 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3cda h ILE 467 CO 0.12 0.35 -0.22 0.40 0.00 0.00 0.00 178.15 178.80 3cda h ILE 468 N 1.07 1.27 -0.74 -0.67 2.04 -1.05 -1.83 117.51 117.60 3cda h ILE 468 Ca 0.23 -1.38 0.04 0.00 1.00 0.00 0.00 64.86 64.75 3cda h ILE 468 Cb 0.30 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 3cda h ILE 468 CO -0.01 0.47 0.48 -0.61 0.00 0.00 0.00 178.15 178.49 3cda h GLN 469 N 0.77 0.84 -0.20 2.37 4.15 -0.69 0.36 115.11 122.72 3cda h GLN 469 Ca 0.10 -0.05 -0.20 0.00 0.77 0.00 0.00 58.65 59.27 3cda h GLN 469 Cb 0.80 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.30 3cda h GLN 469 CO 0.07 0.56 -0.67 -0.07 -1.93 0.00 0.00 178.83 176.78 3cda h LEU 470 N 0.87 0.87 -0.31 -2.39 4.07 -1.03 -2.11 115.31 115.29 3cda h LEU 470 Ca 0.30 -0.53 -0.09 0.00 0.08 0.00 0.00 57.88 57.64 3cda h LEU 470 Cb 0.10 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 3cda h LEU 470 CO -0.09 1.31 -0.16 0.58 -1.08 0.00 0.00 178.44 179.00 3cda h VAL 471 N 0.55 1.29 0.00 1.22 2.07 -0.79 -1.45 116.25 119.13 3cda h VAL 471 Ca -0.02 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.17 3cda h VAL 471 Cb 1.28 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 3cda h VAL 471 CO 0.14 0.41 -0.29 0.78 0.02 0.00 0.00 177.57 178.63 3cda h ASN 472 N 0.42 0.00 -0.34 0.57 -0.26 -0.97 -2.26 115.58 112.73 3cda h ASN 472 Ca 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 3cda h ASN 472 Cb 0.69 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.95 3cda h ASN 472 CO 0.05 0.29 0.00 0.00 -1.06 0.00 0.00 177.43 176.71 3cda n ALA 473 N -2.33 2.46 -2.54 -0.83 0.00 -0.79 -4.96 120.51 111.51 3cda n ALA 473 Ca -0.01 -0.79 -0.13 0.00 0.00 0.00 0.00 53.44 52.51 3cda n ALA 473 Cb 0.40 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 18.88 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 0.91 -2.26 -0.04 0.00 4.76 -0.85 -4.91 118.16 115.77 3cda n LYS 474 Ca 0.17 0.57 -0.08 0.00 -2.87 0.00 0.00 58.31 56.10 3cda n LYS 474 Cb 0.45 -4.71 -0.14 0.00 -1.84 0.00 0.00 35.03 28.79 3cda n LYS 474 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3cda n HIS 475 N -4.01 0.69 -4.83 2.13 8.25 -0.60 -4.85 115.22 112.00 3cda n HIS 475 Ca -0.10 0.25 -0.29 0.00 -0.26 0.00 0.00 57.72 57.32 3cda n HIS 475 Cb 0.59 -1.12 -0.17 0.00 1.12 0.00 0.00 29.99 30.41 3cda n HIS 475 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3cda s ILE 476 N -2.60 1.68 0.44 1.59 1.01 -1.21 -5.03 121.20 117.10 3cda s ILE 476 Ca -0.06 -0.79 -0.25 0.00 0.00 0.00 0.00 60.65 59.56 3cda s ILE 476 Cb 0.07 -1.49 -0.08 0.00 0.01 0.00 0.00 42.46 40.98 3cda s ILE 476 CO 0.83 0.48 1.30 -2.84 0.00 0.00 0.00 174.94 174.70 3cda s PRO 477 N 0.62 3.75 0.48 2.79 0.02 -1.26 -4.41 135.00 136.99 3cda s PRO 477 Ca -0.14 2.13 0.19 0.00 0.02 0.00 0.00 61.00 63.20 3cda s PRO 477 Cb -0.16 -2.59 1.19 0.00 0.02 0.00 0.00 34.50 32.95 3cda s PRO 477 CO 0.04 -0.66 2.04 0.00 -0.33 0.00 0.00 177.00 178.09 3cda h ALA 478 N 2.31 1.58 0.00 -1.55 0.00 -1.99 -2.59 119.26 117.02 3cda h ALA 478 Ca -0.50 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 3cda h ALA 478 Cb 1.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3cda h ALA 478 CO 0.61 0.19 -0.43 0.10 0.00 0.00 0.00 179.25 179.72 3cda h TYR 479 N 0.00 0.00 -0.05 0.00 -0.00 -2.04 -3.17 116.97 111.71 3cda h TYR 479 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3cda h TYR 479 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.02 3cda h TYR 479 CO 0.00 0.43 0.00 1.63 -0.00 0.00 0.00 178.16 180.22 3cda n LYS 480 N -3.33 1.15 0.22 0.10 5.02 -0.97 -3.88 118.16 116.47 3cda n LYS 480 Ca 0.01 -0.23 0.06 0.00 -2.02 0.00 0.00 58.31 56.13 3cda n LYS 480 Cb 0.63 -1.18 0.51 0.00 -0.02 0.00 0.00 35.03 34.97 3cda n LYS 480 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3cda h LEU 481 N 0.42 0.00 -0.64 -0.35 3.38 -1.66 -3.08 115.31 113.38 3cda h LEU 481 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3cda h LEU 481 Cb 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3cda h LEU 481 CO 0.00 0.20 0.11 -0.08 0.09 0.00 0.00 178.44 178.76 3cda h GLU 482 N 0.00 1.06 -0.00 1.13 4.57 -1.85 -2.51 114.58 116.98 3cda h GLU 482 Ca -0.00 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 3cda h GLU 482 Cb 0.37 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 3cda h GLU 482 CO 0.03 0.98 -0.41 0.25 -1.18 0.00 0.00 179.01 178.68 3cda n THR 483 N -4.26 0.00 -0.09 0.32 -2.24 -1.20 -4.25 114.28 102.56 3cda n THR 483 Ca 0.04 -0.05 -0.23 0.00 -2.27 0.00 0.00 64.05 61.54 3cda n THR 483 Cb 0.28 0.31 -0.12 0.00 -2.10 0.00 0.00 70.33 68.71 3cda n THR 483 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3cda n LEU 484 N -1.16 2.34 -4.72 3.22 4.32 -1.17 -4.92 117.00 114.91 3cda n LEU 484 Ca 0.08 0.22 -0.42 0.00 -0.02 0.00 0.00 56.01 55.87 3cda n LEU 484 Cb 0.34 -0.95 -0.04 0.00 -1.62 0.00 0.00 43.42 41.15 3cda n LEU 484 CO 0.31 0.65 0.72 -0.63 -1.22 0.00 0.00 177.39 177.23 3cda s ILE 485 N -2.49 4.49 0.11 -0.08 1.01 -0.95 -4.47 121.20 118.82 3cda s ILE 485 Ca -0.31 1.92 -0.14 0.00 0.00 0.00 0.00 60.65 62.12 3cda s ILE 485 Cb 0.09 -4.23 -0.08 0.00 0.01 0.00 0.00 42.46 38.25 3cda s ILE 485 CO 0.61 0.22 1.42 -0.08 0.00 0.00 0.00 174.94 177.11 3cda h GLU 486 N 6.16 0.75 -5.79 2.79 4.57 -1.90 -3.44 114.58 117.72 3cda h GLU 486 Ca -0.42 -0.41 -0.64 0.00 -1.18 0.00 0.00 59.36 56.70 3cda h GLU 486 Cb 1.21 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.77 3cda h GLU 486 CO 0.74 1.03 -0.49 0.95 -1.18 0.00 0.00 179.01 180.07 3cda s THR 487 N -4.32 5.43 0.10 0.32 -4.23 -1.26 -5.03 115.64 106.65 3cda s THR 487 Ca -0.12 -0.11 -0.16 0.00 -1.18 0.00 0.00 61.69 60.12 3cda s THR 487 Cb 0.09 -3.51 -0.07 0.00 1.34 0.00 0.00 72.50 70.35 3cda s THR 487 CO 0.84 0.37 1.48 0.45 -0.54 0.00 0.00 174.62 177.22 3cda h HIS 488 N 4.00 0.69 -0.37 3.99 3.86 -1.95 -3.03 115.15 122.35 3cda h HIS 488 Ca -0.50 -0.16 -0.04 0.00 -1.16 0.00 0.00 60.37 58.51 3cda h HIS 488 Cb 1.19 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 29.48 3cda h HIS 488 CO 0.68 0.82 0.04 1.49 0.86 0.00 0.00 177.93 181.83 3cda h GLU 489 N 0.37 0.56 -0.17 2.45 4.81 -1.95 -2.10 114.58 118.55 3cda h GLU 489 Ca 0.07 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 3cda h GLU 489 Cb 0.62 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3cda h GLU 489 CO 0.04 0.55 -0.37 -0.09 -0.73 0.00 0.00 179.01 178.41 3cda h ARG 490 N 0.54 0.36 -0.77 1.92 2.43 -1.97 -0.32 114.38 116.57 3cda h ARG 490 Ca 0.12 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3cda h ARG 490 Cb 0.28 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 3cda h ARG 490 CO 0.00 0.68 0.41 0.78 -1.51 0.00 0.00 179.97 180.34 3cda h GLY 491 N 1.13 1.15 1.14 2.80 0.00 -1.27 -1.34 103.07 106.67 3cda h GLY 491 Ca 0.03 -0.53 -0.09 0.00 0.00 0.00 0.00 47.33 46.75 3cda h GLY 491 CO 0.06 0.50 0.03 -2.08 0.00 0.00 0.00 176.54 175.06 3cda h VAL 492 N 1.06 1.26 -0.45 4.60 2.07 -1.05 -1.61 116.25 122.14 3cda h VAL 492 Ca 0.27 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 3cda h VAL 492 Cb 0.04 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3cda h VAL 492 CO -0.04 0.40 0.20 -1.28 0.02 0.00 0.00 177.57 176.87 3cda h SER 493 N 0.96 0.59 -0.12 0.57 0.87 -0.70 -1.51 113.55 114.21 3cda h SER 493 Ca 0.18 -0.14 -0.21 0.00 -1.23 0.00 0.00 61.79 60.39 3cda h SER 493 Cb 0.51 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.32 3cda h SER 493 CO 0.02 0.57 -0.72 0.40 -0.53 0.00 0.00 176.83 176.57 3cda h ILE 494 N 0.58 1.29 -0.91 2.23 2.04 -1.18 -2.03 117.51 119.53 3cda h ILE 494 Ca 0.15 -1.94 0.05 0.00 1.00 0.00 0.00 64.86 64.12 3cda h ILE 494 Cb 0.14 1.92 -0.06 0.00 -0.74 0.00 0.00 36.82 38.08 3cda h ILE 494 CO -0.02 0.61 0.58 -0.09 0.00 0.00 0.00 178.15 179.24 3cda h ARG 495 N 0.53 1.05 -0.59 2.37 2.43 -1.18 -1.15 114.38 117.84 3cda h ARG 495 Ca -0.04 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 3cda h ARG 495 Cb 1.34 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 3cda h ARG 495 CO 0.15 0.69 0.25 0.00 -1.51 0.00 0.00 179.97 179.55 3cda h ARG 496 N 1.08 0.86 -0.42 0.20 3.08 -1.08 0.29 114.38 118.39 3cda h ARG 496 Ca 0.38 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.22 3cda h ARG 496 Cb 0.10 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3cda h ARG 496 CO -0.15 0.72 0.01 1.96 -1.07 0.00 0.00 179.97 181.44 3cda h GLN 497 N 0.80 0.73 -0.24 0.04 4.20 -0.80 0.36 115.11 120.20 3cda h GLN 497 Ca 0.20 -0.23 0.03 0.00 0.06 0.00 0.00 58.65 58.71 3cda h GLN 497 Cb 0.17 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 3cda h GLN 497 CO -0.02 0.80 0.07 -0.07 -0.67 0.00 0.00 178.83 178.94 3cda h LEU 498 N 0.56 0.07 -0.69 1.46 3.38 -1.15 -3.06 115.31 115.88 3cda h LEU 498 Ca 0.12 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3cda h LEU 498 Cb 0.46 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3cda h LEU 498 CO 0.02 0.07 0.26 0.25 0.09 0.00 0.00 178.44 179.14 3cda h LEU 499 N 0.18 0.97 -1.46 1.67 5.85 -0.67 -3.07 115.31 118.78 3cda h LEU 499 Ca 0.11 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 3cda h LEU 499 Cb 0.08 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3cda h LEU 499 CO -0.12 0.89 0.15 0.28 -0.34 0.00 0.00 178.44 179.30 3cda h SER 500 N 0.99 0.46 1.20 1.25 0.02 -0.83 -1.28 113.55 115.37 3cda h SER 500 Ca 0.23 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3cda h SER 500 Cb 0.23 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3cda h SER 500 CO -0.02 0.42 0.00 0.11 -1.14 0.00 0.00 176.83 176.20 3cda h LYS 501 N 0.52 0.00 0.00 3.45 1.79 -1.45 -2.81 116.57 118.07 3cda h LYS 501 Ca 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 3cda h LYS 501 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3cda h LYS 501 CO -0.01 0.00 -0.33 0.87 -1.08 0.00 0.00 179.45 178.90 3cda h LYS 502 N 0.00 0.00 -6.77 3.15 1.57 -1.27 -3.47 116.57 109.77 3cda h LYS 502 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 3cda h LYS 502 Cb 0.60 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 3cda h LYS 502 CO 0.00 0.00 0.15 -0.51 -0.57 0.00 0.00 179.45 178.52 3cda s LEU 503 N -5.56 4.08 0.39 2.94 1.43 -1.06 -4.96 118.68 115.93 3cda s LEU 503 Ca 0.05 1.39 0.14 0.00 -1.03 0.00 0.00 54.13 54.68 3cda s LEU 503 Cb 0.08 -4.10 0.80 0.00 0.03 0.00 0.00 46.19 43.00 3cda s LEU 503 CO 0.70 -0.20 1.86 0.77 0.23 0.00 0.00 176.35 179.70 3cda h SER 504 N 2.36 0.00 -3.66 2.29 4.64 -1.91 -3.32 113.55 113.94 3cda h SER 504 Ca -0.48 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.16 3cda h SER 504 Cb 1.18 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.90 3cda h SER 504 CO 0.65 0.33 -0.68 -0.70 -0.87 0.00 0.00 176.83 175.56 3cda s GLU 505 N -4.22 1.89 0.59 4.77 -6.30 -1.26 -5.02 118.70 109.16 3cda s GLU 505 Ca -0.03 -1.69 0.39 0.00 -2.50 0.00 0.00 54.97 51.14 3cda s GLU 505 Cb 0.14 -3.28 1.91 0.00 0.00 0.00 0.00 34.13 32.91 3cda s GLU 505 CO 0.71 -0.88 2.17 -1.35 0.02 0.00 0.00 175.26 175.93 3cda h PRO 506 N 7.83 0.00 -0.50 4.30 0.11 -1.74 -2.50 132.00 139.49 3cda h PRO 506 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3cda h PRO 506 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3cda h PRO 506 CO 0.57 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.23 3cda n SER 507 N -3.01 2.68 0.29 -2.05 3.41 -1.26 -4.51 113.62 109.17 3cda n SER 507 Ca -0.01 -2.01 0.15 0.00 -0.26 0.00 0.00 58.87 56.74 3cda n SER 507 Cb 0.16 -0.34 0.86 0.00 -0.26 0.00 0.00 64.21 64.64 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 2.91 0.00 0.18 4.04 4.64 -1.83 -1.79 113.55 121.70 3cda h SER 508 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cda h SER 508 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3cda h SER 508 CO 0.00 0.04 -0.07 0.18 -0.87 0.00 0.00 176.83 176.12 3cda n LEU 509 N -3.72 0.67 -0.23 5.97 4.77 -1.26 -4.46 117.00 118.73 3cda n LEU 509 Ca -0.03 -0.14 -0.04 0.00 -0.03 0.00 0.00 56.01 55.78 3cda n LEU 509 Cb 0.14 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 3cda n LEU 509 CO 0.28 0.12 0.63 -0.61 -1.33 0.00 0.00 177.39 176.48 3cda h GLN 510 N 0.94 -0.12 -0.60 3.23 4.15 -1.67 -0.90 115.11 120.15 3cda h GLN 510 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3cda h GLN 510 Cb 0.33 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.05 3cda h GLN 510 CO 0.00 -0.08 0.00 0.66 -1.93 0.00 0.00 178.83 177.48 3cda n TYR 511 N -5.45 0.94 -2.83 3.99 4.02 -1.26 -4.72 117.16 111.85 3cda n TYR 511 Ca 0.06 -0.42 -0.43 0.00 -0.01 0.00 0.00 57.90 57.10 3cda n TYR 511 Cb 0.36 -0.08 -0.04 0.00 -0.02 0.00 0.00 39.34 39.56 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 -1.23 4.01 0.53 7.72 2.96 -0.34 -5.06 118.68 127.28 3cda s LEU 512 Ca 0.39 0.21 -0.18 0.00 -0.22 0.00 0.00 54.13 54.34 3cda s LEU 512 Cb 0.22 -3.20 -0.07 0.00 0.50 0.00 0.00 46.19 43.65 3cda s LEU 512 CO 0.23 -1.00 1.02 -2.16 -1.32 0.00 0.00 176.35 173.13 3cda s PRO 513 N 3.66 3.68 0.00 0.98 0.04 -1.26 -4.91 135.00 137.20 3cda s PRO 513 Ca 0.37 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.58 3cda s PRO 513 Cb -0.11 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.35 3cda s PRO 513 CO 0.24 -0.51 0.00 2.48 0.04 0.00 0.00 177.00 179.26 3cda n TYR 514 N -1.52 0.00 -2.92 0.56 0.18 -1.26 -1.79 117.16 110.41 3cda n TYR 514 Ca 0.08 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.53 3cda n TYR 514 Cb 0.53 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.43 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 0.00 4.15 -1.54 -3.48 0.52 -1.26 -3.99 118.95 113.34 3cda s ARG 515 Ca 0.00 0.96 -0.01 0.00 -0.52 0.00 0.00 55.73 56.16 3cda s ARG 515 Cb 0.00 -2.26 0.00 0.00 0.52 0.00 0.00 34.95 33.21 3cda s ARG 515 CO 0.00 0.03 0.08 -0.25 0.02 0.00 0.00 175.30 175.18 3cda n ASP 516 N -0.57 -5.30 -4.81 0.23 8.00 -1.26 -4.99 116.55 107.86 3cda n ASP 516 Ca 0.06 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.24 3cda n ASP 516 Cb 0.54 -4.42 -0.06 0.00 -0.02 0.00 0.00 41.12 37.16 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 -2.93 3.31 -1.29 1.24 5.04 -1.26 -5.04 117.35 116.42 3cda s TYR 517 Ca 0.05 0.18 -0.15 0.00 -2.44 0.00 0.00 57.07 54.71 3cda s TYR 517 Cb -0.02 -1.71 0.11 0.00 0.35 0.00 0.00 41.96 40.69 3cda s TYR 517 CO 0.06 0.56 1.73 -1.71 -1.34 0.00 0.00 175.55 174.84 3cda n ASN 518 N 0.79 4.90 0.00 4.32 5.15 -1.26 -4.79 115.26 124.37 3cda n ASN 518 Ca -0.10 -2.95 0.06 0.00 -0.60 0.00 0.00 54.58 50.99 3cda n ASN 518 Cb 0.52 -1.66 0.27 0.00 -0.53 0.00 0.00 39.78 38.39 3cda n ASN 518 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 3cda n TYR 519 N 6.79 0.00 0.18 1.20 4.02 -1.26 -3.23 117.16 124.86 3cda n TYR 519 Ca 0.45 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.36 3cda n TYR 519 Cb 0.43 -0.50 0.36 0.00 -0.02 0.00 0.00 39.34 39.61 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 0.02 0.46 7.72 4.64 -1.94 -0.72 113.55 123.72 3cda h SER 520 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3cda h SER 520 Cb 0.22 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3cda h SER 520 CO 0.00 0.37 -0.32 0.18 -0.87 0.00 0.00 176.83 176.18 3cda n LEU 521 N -4.12 0.59 -0.12 5.97 4.77 -1.20 -4.25 117.00 118.63 3cda n LEU 521 Ca -0.02 -0.02 -0.18 0.00 -0.03 0.00 0.00 56.01 55.76 3cda n LEU 521 Cb 0.39 -0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 41.14 3cda n LEU 521 CO 0.39 0.13 -1.32 0.52 -1.33 0.00 0.00 177.39 175.78 3cda n VAL 522 N -1.18 1.41 -2.09 4.08 0.31 -0.86 -4.53 118.33 115.47 3cda n VAL 522 Ca 0.09 -0.52 -0.42 0.00 -0.01 0.00 0.00 64.34 63.48 3cda n VAL 522 Cb 0.33 -1.43 -0.03 0.00 -0.91 0.00 0.00 33.84 31.80 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 -2.49 4.28 -1.08 5.55 -1.94 -0.33 -0.35 119.30 122.93 3cda s MET 523 Ca -0.34 2.17 -0.01 0.00 -1.71 0.00 0.00 55.69 55.81 3cda s MET 523 Cb 0.09 -3.26 0.00 0.00 2.01 0.00 0.00 34.83 33.67 3cda s MET 523 CO 0.55 -0.51 0.07 0.41 -0.01 0.00 0.00 175.02 175.53 3cda n GLY 524 N 3.61 -0.15 0.95 -0.03 0.00 -1.26 -4.76 105.19 103.56 3cda n GLY 524 Ca 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.87 0.00 -0.01 4.61 0.00 -0.95 -5.02 120.51 117.26 3cda n ALA 525 Ca -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.30 3cda n ALA 525 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.33 1.65 -1.37 0.00 0.41 -1.26 -4.27 118.70 113.52 3cda s GLU 528 Ca -0.01 -1.78 -0.01 0.00 -0.41 0.00 0.00 54.97 52.76 3cda s GLU 528 Cb -0.03 -1.60 -0.00 0.00 -1.78 0.00 0.00 34.13 30.72 3cda s GLU 528 CO -0.01 0.24 0.49 0.09 -0.49 0.00 0.00 175.26 175.58 3cda n ASN 529 N -0.62 -0.69 -4.69 -0.19 4.13 -1.26 -4.89 115.26 107.05 3cda n ASN 529 Ca -0.05 -0.97 -0.42 0.00 1.68 0.00 0.00 54.58 54.81 3cda n ASN 529 Cb 0.61 -3.26 -0.03 0.00 -1.54 0.00 0.00 39.78 35.57 3cda n ASN 529 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3cda s VAL 530 N -3.88 4.66 -0.63 2.41 1.01 -1.26 -4.94 120.40 117.76 3cda s VAL 530 Ca 0.02 1.93 0.07 0.00 0.00 0.00 0.00 61.98 64.00 3cda s VAL 530 Cb -0.01 -4.24 0.18 0.00 0.00 0.00 0.00 36.38 32.31 3cda s VAL 530 CO 0.87 0.04 1.10 2.30 0.00 0.00 0.00 175.10 179.42 3cda n ILE 531 N 4.39 0.86 -1.32 2.22 -5.35 -1.26 -4.52 119.36 114.38 3cda n ILE 531 Ca 0.09 -0.93 0.00 0.00 -0.27 0.00 0.00 62.75 61.63 3cda n ILE 531 Cb 0.49 0.59 0.00 0.00 -1.74 0.00 0.00 39.64 38.97 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 0.18 0.20 3.15 3.28 0.00 -1.26 -4.79 105.19 105.95 3cda n GLY 532 Ca 0.07 -1.39 -0.09 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.34 0.20 -0.34 1.61 -0.85 -0.74 -4.96 117.35 108.93 3cda s TYR 533 Ca 0.00 -0.56 -0.06 0.00 -0.52 0.00 0.00 57.07 55.93 3cda s TYR 533 Cb 0.00 -0.13 0.04 0.00 0.38 0.00 0.00 41.96 42.25 3cda s TYR 533 CO 0.00 -0.43 0.09 1.41 -1.52 0.00 0.00 175.55 175.10 3cda s MET 534 N -3.13 2.59 -0.20 -3.49 -2.45 -1.26 -4.18 119.30 107.18 3cda s MET 534 Ca -0.01 -1.20 -0.29 0.00 -1.25 0.00 0.00 55.69 52.94 3cda s MET 534 Cb 0.02 -3.43 -0.02 0.00 1.25 0.00 0.00 34.83 32.65 3cda s MET 534 CO -0.07 -0.67 1.38 -2.14 1.05 0.00 0.00 175.02 174.57 3cda s PRO 535 N 1.38 4.06 -0.26 4.11 0.02 -1.26 -5.01 135.00 138.05 3cda s PRO 535 Ca -0.02 1.60 -0.09 0.00 0.02 0.00 0.00 61.00 62.51 3cda s PRO 535 Cb -0.20 -3.87 -0.04 0.00 0.02 0.00 0.00 34.50 30.42 3cda s PRO 535 CO 0.02 -0.94 0.13 0.42 -0.33 0.00 0.00 177.00 176.30 3cda s ILE 536 N 4.10 4.89 0.26 2.83 -1.09 -1.26 -5.07 121.20 125.84 3cda s ILE 536 Ca 0.60 0.02 -0.30 0.00 -2.23 0.00 0.00 60.65 58.74 3cda s ILE 536 Cb -0.22 -3.30 -0.14 0.00 -1.58 0.00 0.00 42.46 37.22 3cda s ILE 536 CO 0.21 0.31 1.28 -2.65 -1.23 0.00 0.00 174.94 172.86 3cda n PRO 537 N 4.82 1.81 -3.95 2.79 -0.02 -1.26 -4.80 135.00 134.38 3cda n PRO 537 Ca -0.15 0.64 -0.35 0.00 -2.02 0.00 0.00 63.50 61.62 3cda n PRO 537 Cb 0.52 -2.21 -0.14 0.00 -0.02 0.00 0.00 33.50 31.64 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 -0.44 3.10 0.43 -1.45 1.01 -1.26 -1.98 120.40 119.81 3cda s VAL 538 Ca 0.65 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 62.07 3cda s VAL 538 Cb -0.67 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 3cda s VAL 538 CO 0.54 0.42 0.32 -0.83 0.00 0.00 0.00 175.10 175.54 3cda s GLY 539 N 1.43 2.23 -0.10 4.51 0.00 -0.36 -4.92 107.32 110.10 3cda s GLY 539 Ca 0.05 -1.91 0.01 0.00 0.00 0.00 0.00 44.72 42.87 3cda s GLY 539 CO -0.05 -1.79 -0.11 0.14 0.00 0.00 0.00 173.10 171.29 3cda s VAL 540 N -2.54 1.18 -0.16 1.40 1.01 -1.26 -0.62 120.40 119.40 3cda s VAL 540 Ca 0.45 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 3cda s VAL 540 Cb -0.01 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3cda s VAL 540 CO 0.26 0.38 0.06 0.00 0.00 0.00 0.00 175.10 175.79 3cda s ALA 541 N 1.25 3.42 0.00 5.51 0.00 -0.47 -4.93 121.76 126.53 3cda s ALA 541 Ca -0.03 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.19 3cda s ALA 541 Cb -0.14 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.14 3cda s ALA 541 CO -0.04 0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.42 3cda n GLY 542 N 3.19 -2.59 3.75 0.00 0.00 -1.26 -0.96 105.19 107.31 3cda n GLY 542 Ca -0.17 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.98 4.52 -0.36 1.61 0.04 -1.26 -4.92 135.00 132.64 3cda s PRO 543 Ca 0.00 1.91 -0.25 0.00 0.04 0.00 0.00 61.00 62.70 3cda s PRO 543 Cb 0.00 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.36 3cda s PRO 543 CO 0.00 -0.01 0.87 -1.17 0.04 0.00 0.00 177.00 176.73 3cda s LEU 544 N -0.88 4.05 -0.57 -3.56 2.96 0.10 -4.66 118.68 116.12 3cda s LEU 544 Ca 0.50 0.51 -0.22 0.00 -0.22 0.00 0.00 54.13 54.70 3cda s LEU 544 Cb -0.34 -3.17 0.06 0.00 0.50 0.00 0.00 46.19 43.24 3cda s LEU 544 CO 0.41 -0.80 0.84 0.00 -1.32 0.00 0.00 176.35 175.48 3cda s LEU 546 N 3.50 0.56 -1.38 0.00 2.96 -0.20 -0.65 118.68 123.47 3cda s LEU 546 Ca 0.22 0.00 -0.01 0.00 -0.22 0.00 0.00 54.13 54.13 3cda s LEU 546 Cb -0.16 -0.25 0.01 0.00 0.50 0.00 0.00 46.19 46.28 3cda s LEU 546 CO 0.14 -0.19 0.54 0.47 -1.32 0.00 0.00 176.35 175.99 3cda n ASP 547 N 4.93 -0.80 -0.99 3.68 8.00 0.14 -1.68 116.55 129.83 3cda n ASP 547 Ca -0.11 -0.93 -0.13 0.00 0.71 0.00 0.00 54.79 54.33 3cda n ASP 547 Cb 0.50 -3.43 -0.06 0.00 -0.02 0.00 0.00 41.12 38.11 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 -4.36 -1.48 -4.64 -1.24 1.02 -1.26 -4.98 120.64 103.70 3cda n GLU 548 Ca -0.29 0.94 -0.29 0.00 -0.02 0.00 0.00 57.16 57.50 3cda n GLU 548 Cb 0.67 -5.27 -0.10 0.00 -0.02 0.00 0.00 31.44 26.73 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 -3.04 1.99 -0.05 3.49 1.02 -0.67 -5.15 119.74 117.33 3cda s LYS 549 Ca 0.00 -2.15 0.05 0.00 0.02 0.00 0.00 55.97 53.88 3cda s LYS 549 Cb 0.00 -1.62 -0.00 0.00 -0.52 0.00 0.00 37.83 35.69 3cda s LYS 549 CO 0.00 -0.10 -0.19 -1.21 -0.92 0.00 0.00 175.35 172.93 3cda s GLU 550 N -3.74 2.00 -0.02 1.68 2.02 -1.26 -1.04 118.70 118.35 3cda s GLU 550 Ca 0.30 -0.69 0.05 0.00 0.02 0.00 0.00 54.97 54.65 3cda s GLU 550 Cb 0.09 -1.72 -0.01 0.00 0.10 0.00 0.00 34.13 32.59 3cda s GLU 550 CO 0.16 0.28 -0.16 -0.06 0.02 0.00 0.00 175.26 175.49 3cda s PHE 551 N -0.00 1.50 -0.47 1.61 0.40 -0.35 -4.90 117.98 115.77 3cda s PHE 551 Ca -0.04 -0.34 -0.13 0.00 -0.60 0.00 0.00 56.93 55.83 3cda s PHE 551 Cb -0.12 -0.99 0.09 0.00 0.51 0.00 0.00 43.02 42.52 3cda s PHE 551 CO 0.03 -0.07 0.37 -0.65 0.70 0.00 0.00 175.22 175.60 3cda s GLN 552 N -0.22 2.79 -0.30 0.44 -1.52 -1.26 0.01 119.66 119.60 3cda s GLN 552 Ca 0.03 -1.53 -0.20 0.00 -1.95 0.00 0.00 55.36 51.71 3cda s GLN 552 Cb -0.08 -4.03 -0.01 0.00 -0.22 0.00 0.00 33.01 28.67 3cda s GLN 552 CO 0.00 -1.10 0.60 0.08 -0.25 0.00 0.00 175.29 174.62 3cda s VAL 553 N 1.52 4.97 0.18 1.09 1.01 -0.14 -4.62 120.40 124.42 3cda s VAL 553 Ca 0.04 0.83 -0.27 0.00 0.00 0.00 0.00 61.98 62.58 3cda s VAL 553 Cb -0.25 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 3cda s VAL 553 CO 0.03 -0.10 0.83 -2.16 0.00 0.00 0.00 175.10 173.71 3cda s PRO 554 N 2.53 4.66 -0.20 2.72 0.04 -1.26 -1.37 135.00 142.11 3cda s PRO 554 Ca 0.24 1.27 -0.04 0.00 0.04 0.00 0.00 61.00 62.50 3cda s PRO 554 Cb -0.15 -3.28 0.07 0.00 0.04 0.00 0.00 34.50 31.18 3cda s PRO 554 CO 0.11 0.52 0.09 -1.64 0.04 0.00 0.00 177.00 176.13 3cda s MET 555 N -1.05 0.20 -0.53 4.56 -1.94 0.21 -4.19 119.30 116.56 3cda s MET 555 Ca 0.38 -0.25 -0.21 0.00 -1.71 0.00 0.00 55.69 53.90 3cda s MET 555 Cb -0.24 -1.75 0.05 0.00 2.01 0.00 0.00 34.83 34.90 3cda s MET 555 CO 0.28 -0.74 0.75 0.00 -0.01 0.00 0.00 175.02 175.30 3cda s ALA 556 N 2.07 3.30 0.12 3.03 0.00 -0.35 -1.23 121.76 128.70 3cda s ALA 556 Ca 0.03 -1.59 -0.11 0.00 0.00 0.00 0.00 51.96 50.29 3cda s ALA 556 Cb -0.16 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.46 3cda s ALA 556 CO -0.15 -2.18 0.28 -0.08 0.00 0.00 0.00 175.76 173.64 3cda s THR 557 N 3.13 0.10 -0.12 0.00 -1.32 -0.84 -4.33 115.64 112.26 3cda s THR 557 Ca 0.20 -1.04 0.07 0.00 -1.21 0.00 0.00 61.69 59.72 3cda s THR 557 Cb -0.17 -1.41 0.14 0.00 -1.51 0.00 0.00 72.50 69.54 3cda s THR 557 CO 0.14 -0.46 1.09 0.35 -2.21 0.00 0.00 174.62 173.53 3cda n THR 558 N -0.15 1.33 -3.26 5.08 -2.24 -1.26 -4.31 114.28 109.46 3cda n THR 558 Ca -0.13 -1.42 -0.39 0.00 -2.27 0.00 0.00 64.05 59.83 3cda n THR 558 Cb 0.63 0.24 -0.07 0.00 -2.10 0.00 0.00 70.33 69.03 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 -1.65 4.15 0.28 -0.78 2.12 -1.26 -5.03 118.70 116.53 3cda s GLU 559 Ca 0.13 0.37 -0.30 0.00 0.36 0.00 0.00 54.97 55.53 3cda s GLU 559 Cb 0.11 -3.59 -0.11 0.00 0.26 0.00 0.00 34.13 30.81 3cda s GLU 559 CO 0.03 -0.20 1.50 0.20 -0.54 0.00 0.00 175.26 176.24 3cda s GLY 560 N 1.26 2.30 0.00 -1.50 0.00 -1.26 -2.76 107.32 105.36 3cda s GLY 560 Ca 0.23 1.43 0.00 0.00 0.00 0.00 0.00 44.72 46.38 3cda s GLY 560 CO 0.09 2.37 0.00 0.00 0.00 0.00 0.00 173.10 175.56 3cda h LEU 562 N 0.00 0.63 -0.26 0.00 5.85 -1.95 0.04 115.31 119.62 3cda h LEU 562 Ca 0.00 -0.49 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 3cda h LEU 562 Cb 0.09 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3cda h LEU 562 CO 0.00 1.00 -0.16 0.58 -0.34 0.00 0.00 178.44 179.52 3cda h VAL 563 N 0.28 1.30 -0.50 1.05 2.07 -1.90 -0.93 116.25 117.63 3cda h VAL 563 Ca 0.03 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 3cda h VAL 563 Cb 0.83 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 3cda h VAL 563 CO 0.06 0.40 0.22 0.00 0.02 0.00 0.00 177.57 178.28 3cda h ALA 564 N 0.72 0.64 -0.22 1.67 0.00 -1.93 -0.30 119.26 119.83 3cda h ALA 564 Ca 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3cda h ALA 564 Cb 0.68 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3cda h ALA 564 CO 0.04 0.22 0.06 1.03 0.00 0.00 0.00 179.25 180.61 3cda h SER 565 N 0.66 0.33 -0.64 0.00 0.87 -0.96 -1.36 113.55 112.45 3cda h SER 565 Ca 0.17 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 3cda h SER 565 Cb 0.15 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 3cda h SER 565 CO -0.02 0.45 0.38 0.74 -0.53 0.00 0.00 176.83 177.86 3cda h THR 566 N 0.18 1.19 -0.18 2.23 2.02 -1.01 -1.50 112.91 115.84 3cda h THR 566 Ca 0.07 -0.42 -0.08 0.00 0.77 0.00 0.00 66.41 66.75 3cda h THR 566 Cb 0.25 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3cda h THR 566 CO -0.00 0.20 -0.25 -1.13 0.37 0.00 0.00 175.52 174.70 3cda h ASN 567 N 0.89 0.33 -0.46 4.18 -1.24 -0.79 -1.54 115.58 116.96 3cda h ASN 567 Ca 0.23 -0.10 -0.05 0.00 0.71 0.00 0.00 56.30 57.09 3cda h ASN 567 Cb -0.02 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 38.92 3cda h ASN 567 CO -0.04 0.59 0.10 -0.09 -1.29 0.00 0.00 177.43 176.70 3cda h ARG 568 N 0.30 0.74 -0.83 6.67 2.43 -0.25 -2.39 114.38 121.04 3cda h ARG 568 Ca 0.05 -0.18 0.05 0.00 -0.81 0.00 0.00 59.98 59.08 3cda h ARG 568 Cb 0.61 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 3cda h ARG 568 CO 0.04 0.74 0.54 0.78 -1.51 0.00 0.00 179.97 180.57 3cda h GLY 569 N 0.62 1.17 1.04 2.80 0.00 -0.86 -2.11 103.07 105.72 3cda h GLY 569 Ca 0.14 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 3cda h GLY 569 CO 0.00 0.31 0.21 0.00 0.00 0.00 0.00 176.54 177.06 3cda h ARG 571 N 1.00 0.37 -0.94 0.00 9.65 -0.88 -0.66 114.38 122.92 3cda h ARG 571 Ca 0.22 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.11 3cda h ARG 571 Cb 0.31 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.75 3cda h ARG 571 CO -0.01 0.25 0.61 0.00 2.80 0.00 0.00 179.97 183.62 3cda h ALA 572 N 1.09 1.24 -0.27 2.80 0.00 -1.38 -0.06 119.26 122.68 3cda h ALA 572 Ca 0.10 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3cda h ALA 572 Cb -0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3cda h ALA 572 CO -0.02 0.48 -0.12 0.82 0.00 0.00 0.00 179.25 180.40 3cda h ILE 573 N 1.18 1.30 -0.10 0.00 2.04 -1.03 -1.09 117.51 119.80 3cda h ILE 573 Ca 0.37 -1.20 -0.11 0.00 1.00 0.00 0.00 64.86 64.92 3cda h ILE 573 Cb 0.00 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3cda h ILE 573 CO -0.12 0.38 -0.43 1.23 0.00 0.00 0.00 178.15 179.21 3cda h GLY 574 N 0.30 0.24 1.58 5.37 0.00 -0.89 0.55 103.07 110.23 3cda h GLY 574 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3cda h GLY 574 CO 0.04 0.21 -0.29 1.04 0.00 0.00 0.00 176.54 177.54 3cda n LEU 575 N -4.01 0.63 -1.17 3.11 4.77 -0.06 -3.30 117.00 116.98 3cda n LEU 575 Ca -0.02 0.37 0.07 0.00 -0.03 0.00 0.00 56.01 56.41 3cda n LEU 575 Cb 0.49 -0.28 0.26 0.00 -2.33 0.00 0.00 43.42 41.55 3cda n LEU 575 CO 0.42 -0.08 0.70 0.61 -1.33 0.00 0.00 177.39 177.71 3cda n GLY 576 N 1.36 1.88 1.48 -0.72 0.00 -0.42 -4.91 105.19 103.87 3cda n GLY 576 Ca 0.05 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 1.04 0.75 0.00 -0.02 0.00 -1.07 -4.61 105.19 101.28 3cda n GLY 577 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.05 1.57 3.70 -0.02 0.00 0.12 -5.01 105.19 103.51 3cda n GLY 578 Ca 0.00 -2.00 -0.27 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.15 3.31 0.00 4.61 0.00 0.18 -4.53 121.76 123.18 3cda s ALA 579 Ca 0.00 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 50.74 3cda s ALA 579 Cb 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.98 3cda s ALA 579 CO 0.00 0.54 -0.16 -1.12 0.00 0.00 0.00 175.76 175.02 3cda s SER 580 N -2.83 1.90 0.08 0.00 0.01 -0.35 -0.69 113.70 111.83 3cda s SER 580 Ca 0.28 -0.33 0.01 0.00 1.31 0.00 0.00 55.95 57.22 3cda s SER 580 Cb -0.10 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.90 3cda s SER 580 CO 0.20 0.17 -0.06 -0.94 0.41 0.00 0.00 173.24 173.02 3cda s SER 581 N -0.55 0.95 -0.07 2.44 1.04 -1.26 -0.90 113.70 115.35 3cda s SER 581 Ca 0.06 -0.98 -0.04 0.00 0.48 0.00 0.00 55.95 55.47 3cda s SER 581 Cb -0.07 0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.21 3cda s SER 581 CO -0.00 -0.49 0.15 -0.13 0.98 0.00 0.00 173.24 173.75 3cda s ARG 582 N -3.75 0.12 -0.15 4.02 1.81 -0.38 -5.00 118.95 115.62 3cda s ARG 582 Ca 0.10 0.34 -0.29 0.00 -1.72 0.00 0.00 55.73 54.15 3cda s ARG 582 Cb 0.05 -0.10 -0.01 0.00 -0.45 0.00 0.00 34.95 34.44 3cda s ARG 582 CO -0.06 -0.13 1.12 0.08 -0.68 0.00 0.00 175.30 175.63 3cda s VAL 583 N 0.88 4.53 -0.18 3.52 1.01 -1.26 -1.63 120.40 127.27 3cda s VAL 583 Ca -0.07 1.84 0.13 0.00 0.00 0.00 0.00 61.98 63.88 3cda s VAL 583 Cb -0.09 -4.18 -0.23 0.00 0.00 0.00 0.00 36.38 31.88 3cda s VAL 583 CO -0.05 -0.09 0.14 0.18 0.00 0.00 0.00 175.10 175.28 3cda n LEU 584 N 5.88 0.83 -3.76 3.92 4.77 0.20 -4.99 117.00 123.85 3cda n LEU 584 Ca 0.12 0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 56.04 3cda n LEU 584 Cb 0.46 0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.58 3cda n LEU 584 CO 0.53 0.58 0.02 0.00 -1.33 0.00 0.00 177.39 177.19 3cda s ALA 585 N -2.52 -0.68 -0.14 -1.18 0.00 -1.20 -4.97 121.76 111.07 3cda s ALA 585 Ca -0.14 0.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.79 3cda s ALA 585 Cb 0.07 0.30 0.07 0.00 0.00 0.00 0.00 23.12 23.56 3cda s ALA 585 CO 0.79 -0.40 0.29 0.34 0.00 0.00 0.00 175.76 176.77 3cda s ASP 586 N -2.02 0.22 0.00 0.00 2.15 -1.25 -1.20 116.67 114.58 3cda s ASP 586 Ca -0.05 0.66 0.00 0.00 0.43 0.00 0.00 52.55 53.58 3cda s ASP 586 Cb -0.01 0.79 0.00 0.00 -0.30 0.00 0.00 42.92 43.40 3cda s ASP 586 CO -0.03 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 3cda n GLY 587 N 5.30 0.94 3.77 2.66 0.00 -0.52 -4.38 105.19 112.95 3cda n GLY 587 Ca -0.08 0.55 -0.34 0.00 0.00 0.00 0.00 46.02 46.16 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 2.93 0.21 1.61 1.75 -0.84 -0.86 119.30 124.09 3cda s MET 588 Ca 0.00 1.50 0.05 0.00 -1.25 0.00 0.00 55.69 55.99 3cda s MET 588 Cb 0.00 -1.96 -0.05 0.00 2.84 0.00 0.00 34.83 35.66 3cda s MET 588 CO 0.00 -1.17 -0.08 0.95 -0.65 0.00 0.00 175.02 174.07 3cda s THR 589 N -2.12 1.36 -0.05 10.11 -4.23 -1.26 -1.78 115.64 117.67 3cda s THR 589 Ca 0.70 -2.10 -0.03 0.00 -1.18 0.00 0.00 61.69 59.07 3cda s THR 589 Cb -0.22 -2.14 0.02 0.00 1.34 0.00 0.00 72.50 71.50 3cda s THR 589 CO 0.37 -0.52 0.11 -0.60 -0.54 0.00 0.00 174.62 173.45 3cda s ARG 590 N -3.75 0.10 -0.54 3.99 6.06 -0.53 -4.92 118.95 119.35 3cda s ARG 590 Ca 0.24 0.23 0.07 0.00 -2.50 0.00 0.00 55.73 53.76 3cda s ARG 590 Cb 0.03 -0.06 0.24 0.00 0.06 0.00 0.00 34.95 35.22 3cda s ARG 590 CO 0.06 -0.08 0.62 0.41 -2.50 0.00 0.00 175.30 173.81 3cda n GLY 591 N 3.56 3.87 3.73 8.12 0.00 -1.26 -1.07 105.19 122.15 3cda n GLY 591 Ca -0.19 -2.22 -0.33 0.00 0.00 0.00 0.00 46.02 43.28 3cda n GLY 591 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cda s PRO 592 N -1.78 2.17 -0.17 1.61 0.04 -1.15 -0.81 135.00 134.91 3cda s PRO 592 Ca 0.37 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.94 3cda s PRO 592 Cb 0.14 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.80 3cda s PRO 592 CO -0.07 -1.77 -0.04 0.54 0.04 0.00 0.00 177.00 175.69 3cda s VAL 593 N -2.27 3.72 0.30 -0.36 0.11 -0.68 -2.18 120.40 119.02 3cda s VAL 593 Ca 0.70 -0.41 0.10 0.00 -2.93 0.00 0.00 61.98 59.44 3cda s VAL 593 Cb -0.25 -2.64 -0.05 0.00 -1.53 0.00 0.00 36.38 31.91 3cda s VAL 593 CO 0.47 0.47 -0.07 0.68 -3.33 0.00 0.00 175.10 173.32 3cda s VAL 594 N 0.64 2.82 -0.03 2.04 -7.23 -0.59 -2.04 120.40 116.01 3cda s VAL 594 Ca -0.03 -2.12 0.04 0.00 -1.81 0.00 0.00 61.98 58.06 3cda s VAL 594 Cb -0.15 -2.63 -0.00 0.00 0.56 0.00 0.00 36.38 34.16 3cda s VAL 594 CO 0.02 -0.33 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.22 3cda s ARG 595 N -3.62 1.39 0.28 4.82 1.81 0.03 -0.88 118.95 122.78 3cda s ARG 595 Ca 0.32 -0.49 0.09 0.00 -1.72 0.00 0.00 55.73 53.93 3cda s ARG 595 Cb -0.04 -1.26 -0.04 0.00 -0.45 0.00 0.00 34.95 33.16 3cda s ARG 595 CO 0.18 0.22 0.01 -0.51 -0.68 0.00 0.00 175.30 174.52 3cda s LEU 596 N 0.01 3.17 0.25 2.53 2.01 -0.60 -0.73 118.68 125.31 3cda s LEU 596 Ca -0.01 -0.70 -0.05 0.00 0.01 0.00 0.00 54.13 53.37 3cda s LEU 596 Cb -0.09 -1.67 0.32 0.00 0.01 0.00 0.00 46.19 44.76 3cda s LEU 596 CO 0.01 -0.05 1.88 -0.65 1.01 0.00 0.00 176.35 178.54 3cda h PRO 597 N 1.85 1.08 -5.26 1.29 0.11 -1.88 -3.44 132.00 125.74 3cda h PRO 597 Ca -0.44 -0.06 -0.38 0.00 0.11 0.00 0.00 66.00 65.23 3cda h PRO 597 Cb 1.25 -0.24 -0.15 0.00 0.11 0.00 0.00 31.00 31.96 3cda h PRO 597 CO 0.61 0.71 -0.73 1.03 -0.21 0.00 0.00 178.00 179.42 3cda s ARG 598 N -6.07 1.12 0.46 1.05 0.52 -1.26 -4.99 118.95 109.77 3cda s ARG 598 Ca -0.13 -1.44 0.17 0.00 -0.52 0.00 0.00 55.73 53.82 3cda s ARG 598 Cb 0.18 -0.80 1.09 0.00 0.52 0.00 0.00 34.95 35.94 3cda s ARG 598 CO 0.80 0.12 2.00 0.00 0.02 0.00 0.00 175.30 178.25 3cda h ALA 599 N 2.89 1.58 -0.24 2.13 0.00 -1.86 -1.79 119.26 121.98 3cda h ALA 599 Ca -0.38 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 3cda h ALA 599 Cb 1.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3cda h ALA 599 CO 0.60 0.23 -0.05 0.00 0.00 0.00 0.00 179.25 180.03 3cda h ASP 601 N 0.35 0.58 -0.64 0.00 3.32 -1.75 -2.23 116.42 116.04 3cda h ASP 601 Ca 0.08 -0.53 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 3cda h ASP 601 Cb 0.32 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3cda h ASP 601 CO 0.01 1.36 0.23 0.77 -1.72 0.00 0.00 179.24 179.89 3cda h SER 602 N 0.19 0.92 -0.93 6.45 4.64 -1.20 -1.09 113.55 122.53 3cda h SER 602 Ca -0.13 -0.19 0.03 0.00 -0.47 0.00 0.00 61.79 61.03 3cda h SER 602 Cb 1.80 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 63.60 3cda h SER 602 CO 0.20 0.86 0.61 0.00 -0.87 0.00 0.00 176.83 177.63 3cda h ALA 603 N 1.09 1.40 -0.61 5.18 0.00 -1.24 -0.74 119.26 124.34 3cda h ALA 603 Ca 0.21 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3cda h ALA 603 Cb 0.26 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3cda h ALA 603 CO -0.01 0.51 0.18 1.49 0.00 0.00 0.00 179.25 181.42 3cda h GLU 604 N 1.18 0.96 -0.51 0.00 4.81 -0.85 -1.73 114.58 118.44 3cda h GLU 604 Ca 0.37 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3cda h GLU 604 Cb -0.00 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3cda h GLU 604 CO -0.11 0.86 0.03 0.28 -0.73 0.00 0.00 179.01 179.34 3cda h VAL 605 N 0.88 1.26 -0.28 0.32 2.07 -0.79 -1.21 116.25 118.50 3cda h VAL 605 Ca 0.20 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.68 3cda h VAL 605 Cb 0.31 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3cda h VAL 605 CO -0.00 0.37 0.18 0.50 0.02 0.00 0.00 177.57 178.63 3cda h LYS 606 N 0.75 0.36 -0.51 1.57 3.64 -1.01 -1.02 116.57 120.36 3cda h LYS 606 Ca 0.15 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3cda h LYS 606 Cb 0.48 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3cda h LYS 606 CO 0.02 0.24 0.05 0.00 -2.27 0.00 0.00 179.45 177.50 3cda h ALA 607 N 1.10 1.14 -0.55 5.00 0.00 -1.20 -2.08 119.26 122.67 3cda h ALA 607 Ca 0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3cda h ALA 607 Cb -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3cda h ALA 607 CO -0.02 0.56 0.21 2.35 0.00 0.00 0.00 179.25 182.35 3cda h TRP 608 N 0.77 0.84 0.00 0.00 7.01 -0.93 -2.29 115.95 121.35 3cda h TRP 608 Ca 0.16 -0.07 0.00 0.00 2.11 0.00 0.00 58.89 61.09 3cda h TRP 608 Cb 0.39 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.20 3cda h TRP 608 CO 0.02 0.69 0.00 -0.07 -2.79 0.00 0.00 178.44 176.29 3cda h LEU 609 N 0.75 0.00 0.00 0.65 3.38 -0.97 -2.74 115.31 116.38 3cda h LEU 609 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3cda h LEU 609 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3cda h LEU 609 CO -0.01 0.00 -0.74 -0.62 0.09 0.00 0.00 178.44 177.16 3cda n GLU 610 N -2.72 0.26 -2.37 1.13 1.02 -0.80 -3.99 120.64 113.17 3cda n GLU 610 Ca 0.01 0.05 -0.33 0.00 -0.02 0.00 0.00 57.16 56.87 3cda n GLU 610 Cb 0.27 -1.64 -0.02 0.00 -0.02 0.00 0.00 31.44 30.03 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 -3.16 3.91 0.38 2.62 -4.23 -0.93 -4.95 115.64 109.28 3cda s THR 611 Ca 0.06 1.06 0.11 0.00 -1.18 0.00 0.00 61.69 61.73 3cda s THR 611 Cb 0.14 -3.46 0.14 0.00 1.34 0.00 0.00 72.50 70.65 3cda s THR 611 CO 0.74 -0.38 1.89 0.77 -0.54 0.00 0.00 174.62 177.10 3cda h SER 612 N 1.13 0.14 0.64 3.99 4.64 -1.89 -2.10 113.55 120.10 3cda h SER 612 Ca -0.48 -0.04 -0.27 0.00 -0.47 0.00 0.00 61.79 60.53 3cda h SER 612 Cb 1.21 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 3cda h SER 612 CO 0.59 0.37 -1.39 1.05 -0.87 0.00 0.00 176.83 176.58 3cda h GLU 613 N 0.14 0.12 -0.10 4.77 9.09 -1.93 -1.94 114.58 124.73 3cda h GLU 613 Ca 0.02 -0.20 -0.02 0.00 0.05 0.00 0.00 59.36 59.22 3cda h GLU 613 Cb 0.47 0.07 -0.00 0.00 -1.65 0.00 0.00 28.75 27.64 3cda h GLU 613 CO 0.03 0.95 -0.01 0.78 0.05 0.00 0.00 179.01 180.81 3cda h GLY 614 N 2.49 0.20 1.00 1.06 0.00 -1.66 -2.39 103.07 103.77 3cda h GLY 614 Ca -0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3cda h GLY 614 CO 0.14 0.14 0.44 -2.75 0.00 0.00 0.00 176.54 174.51 3cda h PHE 615 N -0.10 0.93 -0.30 5.60 3.57 -1.47 -2.78 116.94 122.39 3cda h PHE 615 Ca 0.03 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 3cda h PHE 615 Cb 0.38 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 3cda h PHE 615 CO 0.04 0.61 -0.05 0.00 -2.23 0.00 0.00 178.31 176.68 3cda h ALA 616 N 1.23 1.36 -0.27 2.41 0.00 -1.30 0.40 119.26 123.09 3cda h ALA 616 Ca 0.26 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3cda h ALA 616 Cb -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3cda h ALA 616 CO -0.05 0.44 -0.36 0.28 0.00 0.00 0.00 179.25 179.56 3cda h VAL 617 N 0.45 1.29 -0.05 0.00 2.07 -1.27 -0.90 116.25 117.83 3cda h VAL 617 Ca 0.09 -1.50 -0.25 0.00 0.82 0.00 0.00 66.70 65.86 3cda h VAL 617 Cb 0.38 1.48 0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3cda h VAL 617 CO 0.02 0.48 -0.94 0.40 0.02 0.00 0.00 177.57 177.55 3cda h ILE 618 N 0.50 1.29 -0.73 4.57 1.08 -1.07 -2.87 117.51 120.28 3cda h ILE 618 Ca 0.05 -2.17 -0.05 0.00 -0.39 0.00 0.00 64.86 62.31 3cda h ILE 618 Cb 0.86 2.24 -0.03 0.00 -3.07 0.00 0.00 36.82 36.81 3cda h ILE 618 CO 0.07 0.67 0.27 0.50 -0.69 0.00 0.00 178.15 178.98 3cda h LYS 619 N 0.43 1.09 -0.46 2.37 3.64 -0.19 -1.29 116.57 122.16 3cda h LYS 619 Ca -0.10 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.05 3cda h LYS 619 Cb 1.58 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 33.20 3cda h LYS 619 CO 0.18 0.90 0.17 1.49 -2.27 0.00 0.00 179.45 179.92 3cda h GLU 620 N 1.06 0.70 -0.22 1.90 4.81 -1.18 -0.69 114.58 120.96 3cda h GLU 620 Ca 0.24 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3cda h GLU 620 Cb 0.23 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3cda h GLU 620 CO -0.02 0.65 0.12 0.00 -0.73 0.00 0.00 179.01 179.03 3cda h ALA 621 N 1.02 0.29 -0.31 2.92 0.00 -1.30 -2.70 119.26 119.19 3cda h ALA 621 Ca 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3cda h ALA 621 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3cda h ALA 621 CO -0.01 -0.18 0.09 0.35 0.00 0.00 0.00 179.25 179.51 3cda h PHE 622 N 0.25 0.49 0.00 0.00 3.57 -1.08 -2.94 116.94 117.23 3cda h PHE 622 Ca 0.08 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 3cda h PHE 622 Cb 0.07 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3cda h PHE 622 CO -0.03 0.51 -0.20 -0.44 -2.23 0.00 0.00 178.31 175.91 3cda h ASP 623 N 0.34 0.00 0.69 0.41 5.19 -1.15 -3.03 116.42 118.86 3cda h ASP 623 Ca 0.10 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 3cda h ASP 623 Cb 0.25 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.76 3cda h ASP 623 CO -0.00 0.20 -0.02 0.77 -3.12 0.00 0.00 179.24 177.06 3cda h SER 624 N 0.00 0.00 1.75 6.45 4.64 -1.28 -3.24 113.55 121.87 3cda h SER 624 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3cda h SER 624 Cb 0.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3cda h SER 624 CO 0.03 0.02 -0.06 0.71 -0.87 0.00 0.00 176.83 176.66 3cda h THR 625 N 0.00 0.12 -2.22 2.95 1.35 -1.64 -3.47 112.91 109.99 3cda h THR 625 Ca -0.00 -1.06 0.04 0.00 -0.55 0.00 0.00 66.41 64.83 3cda h THR 625 Cb 0.37 1.96 -0.17 0.00 -1.73 0.00 0.00 68.15 68.59 3cda h THR 625 CO 0.00 0.06 0.37 -0.55 -0.25 0.00 0.00 175.52 175.16 3cda s SER 626 N -6.16 -0.48 0.56 5.36 0.15 -1.22 -4.97 113.70 106.94 3cda s SER 626 Ca 0.06 0.25 0.33 0.00 0.70 0.00 0.00 55.95 57.29 3cda s SER 626 Cb 0.06 0.45 1.61 0.00 -1.71 0.00 0.00 66.02 66.43 3cda s SER 626 CO 0.66 -0.64 2.09 0.08 1.20 0.00 0.00 173.24 176.63 3cda h ARG 627 N 2.35 0.00 0.00 5.44 0.11 -1.91 -2.70 114.38 117.67 3cda h ARG 627 Ca -0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.83 3cda h ARG 627 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 3cda h ARG 627 CO 0.34 0.06 -0.93 1.19 0.10 0.00 0.00 179.97 180.73 3cda n PHE 628 N -3.31 0.00 -1.70 4.08 0.99 -1.26 -4.95 117.46 111.31 3cda n PHE 628 Ca -0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.01 3cda n PHE 628 Cb 0.24 -0.01 -0.03 0.00 -1.00 0.00 0.00 39.48 38.68 3cda n PHE 628 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3cda s ALA 629 N -2.82 3.26 -0.33 4.37 0.00 -1.02 -4.49 121.76 120.73 3cda s ALA 629 Ca 0.07 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.06 3cda s ALA 629 Cb 0.14 -3.92 0.13 0.00 0.00 0.00 0.00 23.12 19.47 3cda s ALA 629 CO 0.79 -2.03 0.18 0.50 0.00 0.00 0.00 175.76 175.20 3cda s ARG 630 N 5.12 0.44 0.15 0.00 3.52 -1.26 -4.48 118.95 122.45 3cda s ARG 630 Ca 0.91 -1.06 -0.31 0.00 -0.13 0.00 0.00 55.73 55.13 3cda s ARG 630 Cb -0.37 -1.29 -0.10 0.00 -1.56 0.00 0.00 34.95 31.63 3cda s ARG 630 CO 0.38 -1.14 1.58 -1.17 -0.81 0.00 0.00 175.30 174.14 3cda s LEU 631 N 1.43 4.37 0.64 -0.88 2.96 -1.26 -4.23 118.68 121.70 3cda s LEU 631 Ca 0.15 2.61 0.03 0.00 -0.22 0.00 0.00 54.13 56.69 3cda s LEU 631 Cb -0.20 -3.59 0.09 0.00 0.50 0.00 0.00 46.19 42.99 3cda s LEU 631 CO -0.13 -0.83 0.88 -1.10 -1.32 0.00 0.00 176.35 173.85 3cda s GLN 632 N 1.30 2.05 0.08 1.98 -0.21 -0.33 -5.01 119.66 119.52 3cda s GLN 632 Ca 0.71 -1.20 -0.36 0.00 0.02 0.00 0.00 55.36 54.52 3cda s GLN 632 Cb -0.43 -2.46 -0.18 0.00 1.00 0.00 0.00 33.01 30.93 3cda s GLN 632 CO 0.31 -1.11 1.12 1.63 -2.12 0.00 0.00 175.29 175.12 3cda n LYS 633 N -2.55 0.58 -2.62 2.91 5.02 -1.26 -4.71 118.16 115.53 3cda n LYS 633 Ca 0.14 0.21 -0.42 0.00 -2.02 0.00 0.00 58.31 56.21 3cda n LYS 633 Cb 0.61 -1.71 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 3cda n LYS 633 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3cda s LEU 634 N 0.55 4.30 -0.25 -0.35 2.96 -1.26 -4.79 118.68 119.84 3cda s LEU 634 Ca 0.83 1.66 -0.09 0.00 -0.22 0.00 0.00 54.13 56.32 3cda s LEU 634 Cb -1.06 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.03 3cda s LEU 634 CO 0.53 -0.43 0.11 -2.28 -1.32 0.00 0.00 176.35 172.96 3cda s HIS 635 N 1.71 3.17 0.18 5.38 5.65 -1.22 -5.00 115.29 125.16 3cda s HIS 635 Ca 0.52 -0.13 0.08 0.00 0.25 0.00 0.00 55.06 55.78 3cda s HIS 635 Cb -0.21 -2.26 -0.04 0.00 -1.18 0.00 0.00 32.58 28.89 3cda s HIS 635 CO 0.22 -0.18 -0.16 0.95 -0.65 0.00 0.00 174.74 174.92 3cda s THR 636 N 1.41 1.77 -0.12 0.89 -4.23 -1.26 -0.87 115.64 113.23 3cda s THR 636 Ca 0.06 -2.03 -0.06 0.00 -1.18 0.00 0.00 61.69 58.48 3cda s THR 636 Cb -0.15 -1.91 0.05 0.00 1.34 0.00 0.00 72.50 71.83 3cda s THR 636 CO 0.05 -0.43 0.27 -0.55 -0.54 0.00 0.00 174.62 173.42 3cda s SER 637 N -2.93 -0.15 -0.00 3.99 0.15 -0.56 -5.01 113.70 109.19 3cda s SER 637 Ca 0.18 0.59 -0.10 0.00 0.70 0.00 0.00 55.95 57.31 3cda s SER 637 Cb -0.04 0.53 -0.05 0.00 -1.71 0.00 0.00 66.02 64.75 3cda s SER 637 CO 0.07 -0.19 0.33 -0.63 1.20 0.00 0.00 173.24 174.02 3cda s ILE 638 N 1.56 5.19 -0.38 6.45 1.01 -1.26 -0.95 121.20 132.83 3cda s ILE 638 Ca -0.07 0.49 0.01 0.00 0.00 0.00 0.00 60.65 61.08 3cda s ILE 638 Cb -0.11 -3.61 0.14 0.00 0.01 0.00 0.00 42.46 38.90 3cda s ILE 638 CO -0.09 0.48 0.22 0.00 0.00 0.00 0.00 174.94 175.55 3cda s ALA 639 N -1.19 1.30 0.00 9.38 0.00 -0.92 -5.00 121.76 125.34 3cda s ALA 639 Ca 0.25 -2.09 0.00 0.00 0.00 0.00 0.00 51.96 50.12 3cda s ALA 639 Cb -0.14 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.29 3cda s ALA 639 CO 0.13 -2.09 0.00 0.41 0.00 0.00 0.00 175.76 174.21 3cda n GLY 640 N 3.87 2.71 0.29 0.00 0.00 -1.26 -1.67 105.19 109.14 3cda n GLY 640 Ca 0.11 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 13.24 1.40 -2.71 1.61 1.85 -1.26 -4.39 116.66 126.41 3cda n ARG 641 Ca 0.00 -0.59 -0.37 0.00 -1.00 0.00 0.00 57.85 55.89 3cda n ARG 641 Cb 0.00 -1.48 -0.06 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 -1.96 7.26 -0.11 2.89 -0.87 -0.67 -1.56 114.94 119.92 3cda s ASN 642 Ca 0.41 1.93 -0.00 0.00 -1.57 0.00 0.00 52.86 53.62 3cda s ASN 642 Cb 0.21 -2.59 0.02 0.00 -0.02 0.00 0.00 41.25 38.88 3cda s ASN 642 CO 0.34 -0.13 -0.08 -0.22 -2.57 0.00 0.00 177.10 174.44 3cda s LEU 643 N -2.01 1.23 -0.19 0.60 2.96 -0.06 -2.16 118.68 119.04 3cda s LEU 643 Ca 0.50 -0.31 -0.12 0.00 -0.22 0.00 0.00 54.13 53.98 3cda s LEU 643 Cb -0.21 -0.86 -0.05 0.00 0.50 0.00 0.00 46.19 45.57 3cda s LEU 643 CO 0.27 -0.11 0.20 -0.31 -1.32 0.00 0.00 176.35 175.08 3cda s TYR 644 N 1.65 3.41 -0.16 5.38 1.51 -0.12 -1.55 117.35 127.47 3cda s TYR 644 Ca 0.04 0.41 0.01 0.00 -1.01 0.00 0.00 57.07 56.52 3cda s TYR 644 Cb -0.13 -2.26 0.02 0.00 -0.11 0.00 0.00 41.96 39.49 3cda s TYR 644 CO -0.08 0.22 -0.17 0.42 -1.11 0.00 0.00 175.55 174.83 3cda s ILE 645 N 0.56 1.83 -0.59 2.71 1.01 -0.93 -1.50 121.20 124.29 3cda s ILE 645 Ca 0.11 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 59.83 3cda s ILE 645 Cb -0.12 -1.68 0.15 0.00 0.01 0.00 0.00 42.46 40.82 3cda s ILE 645 CO 0.01 0.50 0.52 -0.60 0.00 0.00 0.00 174.94 175.38 3cda s ARG 646 N 1.37 3.01 0.01 2.79 3.52 -0.05 -3.03 118.95 126.57 3cda s ARG 646 Ca 0.05 -1.89 -0.30 0.00 -0.13 0.00 0.00 55.73 53.46 3cda s ARG 646 Cb -0.13 -4.24 -0.03 0.00 -1.56 0.00 0.00 34.95 28.98 3cda s ARG 646 CO -0.12 -1.29 0.96 -0.06 -0.81 0.00 0.00 175.30 173.98 3cda s PHE 647 N 1.23 3.68 -0.05 5.12 0.40 -0.23 -3.41 117.98 124.71 3cda s PHE 647 Ca 0.07 1.68 0.02 0.00 -0.60 0.00 0.00 56.93 58.10 3cda s PHE 647 Cb -0.25 -3.09 0.02 0.00 0.51 0.00 0.00 43.02 40.21 3cda s PHE 647 CO -0.00 0.03 -0.07 -1.14 0.70 0.00 0.00 175.22 174.74 3cda s GLN 648 N 0.83 1.08 -0.03 0.44 0.74 -1.26 -1.46 119.66 120.00 3cda s GLN 648 Ca 0.50 -0.21 -0.23 0.00 0.05 0.00 0.00 55.36 55.47 3cda s GLN 648 Cb -0.21 -0.99 0.05 0.00 1.10 0.00 0.00 33.01 32.96 3cda s GLN 648 CO 0.28 -0.03 0.49 0.45 -0.55 0.00 0.00 175.29 175.93 3cda s SER 649 N 0.75 -0.42 1.07 6.67 0.15 -0.73 -1.19 113.70 119.99 3cda s SER 649 Ca -0.12 0.39 -0.12 0.00 0.70 0.00 0.00 55.95 56.80 3cda s SER 649 Cb -0.14 0.42 0.20 0.00 -1.71 0.00 0.00 66.02 64.79 3cda s SER 649 CO 0.01 -0.53 0.89 0.54 1.20 0.00 0.00 173.24 175.35 3cda n ARG 650 N 1.09 -1.51 -2.14 5.44 1.74 -1.26 -1.99 116.66 118.03 3cda n ARG 650 Ca -0.20 -0.40 -0.01 0.00 -0.77 0.00 0.00 57.85 56.47 3cda n ARG 650 Cb 0.56 -2.15 0.04 0.00 -1.02 0.00 0.00 32.46 29.89 3cda n ARG 650 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3cda n SER 651 N -4.01 0.02 0.00 0.55 3.41 -1.26 -4.47 113.62 107.86 3cda n SER 651 Ca 0.06 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 3cda n SER 651 Cb 0.54 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 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 -0.54 3.14 0.88 5.00 0.00 -1.26 -1.69 105.19 110.72 3cda n GLY 652 Ca -0.08 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 4.12 2.72 -4.80 1.61 8.00 -1.26 -3.92 116.55 123.03 3cda n ASP 653 Ca 0.00 -1.89 -0.34 0.00 0.71 0.00 0.00 54.79 53.28 3cda n ASP 653 Cb 0.00 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.01 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 -1.87 2.83 0.15 2.24 0.00 -0.68 -0.64 121.76 123.78 3cda s ALA 654 Ca 0.33 0.56 -0.17 0.00 0.00 0.00 0.00 51.96 52.68 3cda s ALA 654 Cb 0.21 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 20.09 3cda s ALA 654 CO 0.31 -0.45 1.79 1.98 0.00 0.00 0.00 175.76 179.38 3cda h MET 655 N 1.26 0.39 0.00 0.00 4.05 -1.72 -3.43 114.93 115.48 3cda h MET 655 Ca -0.49 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 3cda h MET 655 Cb 1.22 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.93 3cda h MET 655 CO 0.59 0.26 0.00 0.41 0.23 0.00 0.00 176.91 178.40 3cda n GLY 656 N -1.20 1.14 0.43 1.39 0.00 -1.26 -4.67 105.19 101.02 3cda n GLY 656 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3cda n GLY 656 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3cda h MET 657 N 1.59 -0.95 -0.92 1.61 2.86 -1.94 -1.34 114.93 115.84 3cda h MET 657 Ca 0.00 0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 3cda h MET 657 Cb 0.00 0.22 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 3cda h MET 657 CO 0.00 -0.63 0.61 -0.91 1.06 0.00 0.00 176.91 177.04 3cda h ASN 658 N -0.99 1.05 0.32 1.22 2.35 -1.98 -0.39 115.58 117.16 3cda h ASN 658 Ca -0.08 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 3cda h ASN 658 Cb 0.80 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.91 3cda h ASN 658 CO 0.08 0.76 -0.15 -0.03 -1.65 0.00 0.00 177.43 176.44 3cda h MET 659 N 1.24 -0.41 -0.81 0.81 4.05 -1.97 -0.73 114.93 117.11 3cda h MET 659 Ca 0.34 0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.85 3cda h MET 659 Cb -0.14 0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 30.70 3cda h MET 659 CO -0.07 -0.11 0.53 0.82 0.23 0.00 0.00 176.91 178.30 3cda h ILE 660 N -0.70 1.05 -0.43 1.77 1.08 -1.13 -1.22 117.51 117.93 3cda h ILE 660 Ca -0.04 -0.31 -0.14 0.00 -0.39 0.00 0.00 64.86 63.98 3cda h ILE 660 Cb 0.48 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 3cda h ILE 660 CO 0.07 0.16 -0.26 0.28 -0.69 0.00 0.00 178.15 177.71 3cda h SER 661 N 0.89 0.98 -0.49 1.72 0.02 -0.92 0.61 113.55 116.37 3cda h SER 661 Ca 0.35 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 3cda h SER 661 Cb 0.22 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3cda h SER 661 CO -0.12 1.19 0.20 0.50 -1.14 0.00 0.00 176.83 177.46 3cda h LYS 662 N 0.77 0.72 -0.19 3.45 3.64 -0.60 -1.08 116.57 123.28 3cda h LYS 662 Ca 0.09 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 3cda h LYS 662 Cb 0.84 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 3cda h LYS 662 CO 0.07 0.64 -0.15 0.78 -2.27 0.00 0.00 179.45 178.52 3cda h GLY 663 N 0.64 0.33 1.26 5.01 0.00 -1.05 -2.84 103.07 106.42 3cda h GLY 663 Ca 0.16 -0.22 -0.18 0.00 0.00 0.00 0.00 47.33 47.09 3cda h GLY 663 CO -0.02 0.20 -0.59 -0.84 0.00 0.00 0.00 176.54 175.30 3cda h THR 664 N 0.29 1.29 -0.50 4.70 2.02 -0.50 -1.75 112.91 118.46 3cda h THR 664 Ca 0.06 -1.79 -0.11 0.00 0.77 0.00 0.00 66.41 65.33 3cda h THR 664 Cb 0.44 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 3cda h THR 664 CO 0.03 0.57 -0.12 -0.33 0.37 0.00 0.00 175.52 176.04 3cda h GLU 665 N 0.58 0.94 0.00 6.66 5.08 -1.04 -1.45 114.58 125.35 3cda h GLU 665 Ca 0.00 -0.34 -0.22 0.00 -1.00 0.00 0.00 59.36 57.80 3cda h GLU 665 Cb 1.18 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3cda h GLU 665 CO 0.12 1.00 -0.93 -0.22 -1.00 0.00 0.00 179.01 177.98 3cda h LYS 666 N 0.83 0.38 -0.64 2.33 3.64 -1.51 -2.49 116.57 119.12 3cda h LYS 666 Ca 0.13 -0.41 -0.06 0.00 -1.27 0.00 0.00 60.65 59.04 3cda h LYS 666 Cb 0.66 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.57 3cda h LYS 666 CO 0.05 1.09 0.15 0.00 -2.27 0.00 0.00 179.45 178.46 3cda h ALA 667 N 0.77 1.06 -0.14 5.00 0.00 -1.12 -2.12 119.26 122.71 3cda h ALA 667 Ca -0.07 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 3cda h ALA 667 Cb 1.57 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3cda h ALA 667 CO 0.16 0.62 -0.54 -0.07 0.00 0.00 0.00 179.25 179.42 3cda h LEU 668 N 0.96 0.46 -1.14 0.00 3.38 -1.24 -1.64 115.31 116.08 3cda h LEU 668 Ca 0.20 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3cda h LEU 668 Cb 0.35 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3cda h LEU 668 CO 0.00 0.91 0.32 0.28 0.09 0.00 0.00 178.44 180.04 3cda h SER 669 N 0.32 0.83 -0.15 -0.43 0.02 -1.14 -0.44 113.55 112.55 3cda h SER 669 Ca 0.01 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 3cda h SER 669 Cb 1.05 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.37 3cda h SER 669 CO 0.09 0.70 -0.19 0.50 -1.14 0.00 0.00 176.83 176.79 3cda h LYS 670 N 0.92 0.40 -0.28 3.45 1.63 -1.17 -3.00 116.57 118.53 3cda h LYS 670 Ca 0.23 -0.23 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 3cda h LYS 670 Cb 0.08 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 3cda h LYS 670 CO -0.03 0.80 0.19 1.25 -3.45 0.00 0.00 179.45 178.21 3cda h LEU 671 N 0.03 0.14 -1.07 5.20 5.85 -1.02 -1.42 115.31 123.01 3cda h LEU 671 Ca 0.02 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 3cda h LEU 671 Cb 0.74 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 3cda h LEU 671 CO 0.05 0.09 -0.45 -0.74 -0.34 0.00 0.00 178.44 177.05 3cda h HIS 672 N 0.16 0.00 -0.11 1.25 2.76 -0.97 -0.95 115.15 117.30 3cda h HIS 672 Ca 0.12 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.24 3cda h HIS 672 Cb 0.28 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 3cda h HIS 672 CO -0.00 0.45 -0.18 0.93 -1.30 0.00 0.00 177.93 177.83 3cda h GLU 673 N 0.00 0.17 0.00 5.26 5.08 -1.12 -2.39 114.58 121.58 3cda h GLU 673 Ca -0.00 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 3cda h GLU 673 Cb 0.83 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 3cda h GLU 673 CO 0.06 0.35 -1.38 0.66 -1.00 0.00 0.00 179.01 177.70 3cda n TYR 674 N -4.25 0.99 -3.50 4.33 4.02 -1.06 -4.64 117.16 113.05 3cda n TYR 674 Ca -0.01 0.33 -0.27 0.00 -0.01 0.00 0.00 57.90 57.94 3cda n TYR 674 Cb 0.29 -1.08 -0.10 0.00 -0.02 0.00 0.00 39.34 38.43 3cda n TYR 674 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3cda n PHE 675 N -2.87 0.76 0.45 -0.72 3.01 -0.39 -4.98 117.46 112.72 3cda n PHE 675 Ca -0.09 -3.71 0.08 0.00 1.01 0.00 0.00 57.45 54.75 3cda n PHE 675 Cb 0.82 -0.16 0.36 0.00 -0.01 0.00 0.00 39.48 40.48 3cda n PHE 675 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3cda n PRO 676 N 2.16 0.06 0.00 -1.08 -0.02 -0.92 -1.57 135.00 133.63 3cda n PRO 676 Ca 0.26 0.32 0.14 0.00 -2.02 0.00 0.00 63.50 62.19 3cda n PRO 676 Cb 0.45 -1.62 0.52 0.00 -0.02 0.00 0.00 33.50 32.83 3cda n PRO 676 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3cda n GLU 677 N -1.73 0.91 -2.30 -0.52 -0.58 -1.26 -4.89 120.64 110.26 3cda n GLU 677 Ca 0.03 -0.44 -0.41 0.00 -0.42 0.00 0.00 57.16 55.92 3cda n GLU 677 Cb 0.18 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.53 3cda n GLU 677 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 3cda s MET 678 N -2.39 4.44 -0.17 3.49 1.75 -0.61 -4.48 119.30 121.32 3cda s MET 678 Ca 0.29 1.96 -0.05 0.00 -1.25 0.00 0.00 55.69 56.63 3cda s MET 678 Cb 0.20 -3.22 -0.03 0.00 2.84 0.00 0.00 34.83 34.62 3cda s MET 678 CO 0.47 -0.16 0.01 -1.14 -0.65 0.00 0.00 175.02 173.54 3cda s GLN 679 N -0.20 3.78 -0.54 4.11 0.74 0.09 -4.97 119.66 122.67 3cda s GLN 679 Ca 0.54 -0.45 -0.25 0.00 0.05 0.00 0.00 55.36 55.25 3cda s GLN 679 Cb -0.34 -3.06 0.04 0.00 1.10 0.00 0.00 33.01 30.74 3cda s GLN 679 CO 0.37 0.21 1.00 0.42 -0.55 0.00 0.00 175.29 176.75 3cda s ILE 680 N 0.48 4.31 -0.04 -2.34 1.01 -1.26 -0.79 121.20 122.58 3cda s ILE 680 Ca -0.00 0.53 -0.21 0.00 0.00 0.00 0.00 60.65 60.97 3cda s ILE 680 Cb -0.14 -4.57 -0.32 0.00 0.01 0.00 0.00 42.46 37.45 3cda s ILE 680 CO 0.02 -1.11 0.90 0.25 0.00 0.00 0.00 174.94 175.00 3cda h LEU 681 N 11.13 0.54 -7.00 2.97 5.85 -1.75 -3.48 115.31 123.56 3cda h LEU 681 Ca -0.25 -0.95 0.02 0.00 0.84 0.00 0.00 57.88 57.54 3cda h LEU 681 Cb 1.07 -0.17 -0.23 0.00 0.37 0.00 0.00 40.66 41.70 3cda h LEU 681 CO 1.10 1.46 0.21 0.00 -0.34 0.00 0.00 178.44 180.87 3cda s ALA 682 N -2.46 -1.91 0.33 1.25 0.00 -1.05 -5.02 121.76 112.90 3cda s ALA 682 Ca -0.13 2.12 0.31 0.00 0.00 0.00 0.00 51.96 54.26 3cda s ALA 682 Cb 0.02 -1.37 1.50 0.00 0.00 0.00 0.00 23.12 23.27 3cda s ALA 682 CO 0.85 -0.33 2.06 -0.24 0.00 0.00 0.00 175.76 178.10 3cda h VAL 683 N 4.28 0.33 -3.49 0.00 3.04 -1.92 -1.82 116.25 116.67 3cda h VAL 683 Ca -0.29 -0.54 -0.62 0.00 -1.01 0.00 0.00 66.70 64.24 3cda h VAL 683 Cb 1.19 1.40 -0.37 0.00 -2.01 0.00 0.00 31.29 31.49 3cda h VAL 683 CO 0.11 0.09 -0.81 -0.55 -1.01 0.00 0.00 177.57 175.40 3cda s SER 684 N -5.89 3.55 -0.43 3.17 0.15 -1.26 -2.91 113.70 110.08 3cda s SER 684 Ca -0.02 -0.97 0.05 0.00 0.70 0.00 0.00 55.95 55.71 3cda s SER 684 Cb 0.12 -1.25 0.66 0.00 -1.71 0.00 0.00 66.02 63.84 3cda s SER 684 CO 0.56 -0.16 1.87 0.61 1.20 0.00 0.00 173.24 177.31 3cda n GLY 685 N 4.66 4.48 2.65 9.45 0.00 0.01 -4.74 105.19 121.69 3cda n GLY 685 Ca -0.14 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.07 -5.34 -0.99 1.61 4.13 -1.25 -4.79 115.26 107.56 3cda n ASN 686 Ca 0.56 0.30 0.12 0.00 1.68 0.00 0.00 54.58 57.24 3cda n ASN 686 Cb 1.60 -3.89 0.24 0.00 -1.54 0.00 0.00 39.78 36.19 3cda n ASN 686 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3cda n TYR 687 N -2.35 0.36 0.31 3.10 9.36 -1.19 -4.60 117.16 122.15 3cda n TYR 687 Ca -0.12 -0.18 -0.15 0.00 3.32 0.00 0.00 57.90 60.77 3cda n TYR 687 Cb 0.54 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.18 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 -4.92 3.27 -0.20 0.00 2.01 -1.26 -4.74 115.64 109.79 3cda s THR 689 Ca -0.15 -0.56 -0.18 0.00 0.31 0.00 0.00 61.69 61.12 3cda s THR 689 Cb 0.02 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 3cda s THR 689 CO 0.49 0.48 0.49 -0.62 -0.69 0.00 0.00 174.62 174.76 3cda s ASP 690 N 0.89 6.53 -1.94 3.53 2.15 -1.26 -4.46 116.67 122.11 3cda s ASP 690 Ca -0.02 0.63 0.00 0.00 0.43 0.00 0.00 52.55 53.59 3cda s ASP 690 Cb -0.15 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 3cda s ASP 690 CO 0.00 -0.15 0.00 0.29 -0.17 0.00 0.00 175.17 175.14 3cda n LYS 691 N 4.72 -1.57 -4.04 4.34 5.02 -1.26 -4.99 118.16 120.37 3cda n LYS 691 Ca -0.06 1.09 -0.12 0.00 -2.02 0.00 0.00 58.31 57.20 3cda n LYS 691 Cb 0.51 -5.63 -0.12 0.00 -0.02 0.00 0.00 35.03 29.77 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 -4.52 0.45 0.24 1.97 3.01 -1.26 -4.98 119.74 114.65 3cda s LYS 692 Ca 0.00 -0.65 -0.30 0.00 -1.01 0.00 0.00 55.97 54.01 3cda s LYS 692 Cb 0.00 -0.20 -0.11 0.00 -1.01 0.00 0.00 37.83 36.52 3cda s LYS 692 CO 0.00 0.03 1.53 -1.25 0.51 0.00 0.00 175.35 176.17 3cda s PRO 693 N -1.37 4.20 -0.25 -1.68 0.04 -1.26 -4.75 135.00 129.93 3cda s PRO 693 Ca -0.10 2.41 -0.16 0.00 0.04 0.00 0.00 61.00 63.19 3cda s PRO 693 Cb -0.09 -3.09 0.07 0.00 0.04 0.00 0.00 34.50 31.43 3cda s PRO 693 CO 0.00 -0.54 0.63 0.00 0.04 0.00 0.00 177.00 177.12 3cda s ALA 694 N 0.33 -1.66 0.39 8.56 0.00 -1.26 -5.03 121.76 123.09 3cda s ALA 694 Ca 0.64 2.12 0.10 0.00 0.00 0.00 0.00 51.96 54.82 3cda s ALA 694 Cb -0.44 -1.25 0.81 0.00 0.00 0.00 0.00 23.12 22.23 3cda s ALA 694 CO 0.41 -0.34 1.92 0.00 0.00 0.00 0.00 175.76 177.75 3cda h ALA 695 N 6.59 1.52 -0.72 0.00 0.00 -1.94 -2.76 119.26 121.96 3cda h ALA 695 Ca -0.31 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.40 3cda h ALA 695 Cb 1.21 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3cda h ALA 695 CO 0.17 0.34 0.47 0.97 0.00 0.00 0.00 179.25 181.21 3cda h ILE 696 N 0.18 1.18 -0.37 0.00 2.10 -1.97 0.07 117.51 118.70 3cda h ILE 696 Ca 0.04 -0.33 -0.14 0.00 1.08 0.00 0.00 64.86 65.51 3cda h ILE 696 Cb 0.39 0.13 -0.01 0.00 -1.09 0.00 0.00 36.82 36.24 3cda h ILE 696 CO 0.02 0.18 -0.33 0.78 -1.08 0.00 0.00 178.15 177.71 3cda h ASN 697 N 0.96 0.86 -0.71 2.19 2.35 -1.77 -0.65 115.58 118.82 3cda h ASN 697 Ca 0.26 -0.37 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 3cda h ASN 697 Cb -0.10 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.00 3cda h ASN 697 CO -0.06 1.12 0.38 -0.25 -1.65 0.00 0.00 177.43 176.97 3cda h TRP 698 N 0.69 0.98 0.11 1.19 2.91 -1.31 -1.01 115.95 119.50 3cda h TRP 698 Ca 0.07 -0.03 -0.35 0.00 1.13 0.00 0.00 58.89 59.71 3cda h TRP 698 Cb 0.89 -0.31 -0.02 0.00 -0.51 0.00 0.00 29.16 29.21 3cda h TRP 698 CO 0.05 0.70 -1.95 -0.89 -1.03 0.00 0.00 178.44 175.31 3cda n ILE 699 N -4.48 1.76 0.45 2.65 5.41 -0.06 -4.31 119.36 120.78 3cda n ILE 699 Ca 0.06 -0.68 0.11 0.00 1.00 0.00 0.00 62.75 63.24 3cda n ILE 699 Cb 0.10 -1.63 -0.14 0.00 -0.71 0.00 0.00 39.64 37.26 3cda n ILE 699 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3cda n GLU 700 N -3.42 0.36 -0.20 0.38 -0.58 -0.26 -5.09 120.64 111.84 3cda n GLU 700 Ca -0.30 -0.10 0.02 0.00 -0.42 0.00 0.00 57.16 56.36 3cda n GLU 700 Cb 1.05 -1.52 -0.01 0.00 -0.57 0.00 0.00 31.44 30.39 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 1.37 -2.37 3.64 0.62 0.00 -0.38 -5.02 105.19 103.04 3cda n GLY 701 Ca -0.00 -1.42 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.65 0.61 7.86 1.61 3.52 -1.06 -4.71 118.95 124.13 3cda s ARG 702 Ca 0.00 0.87 0.00 0.00 -0.13 0.00 0.00 55.73 56.47 3cda s ARG 702 Cb 0.00 0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.61 3cda s ARG 702 CO 0.00 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 174.80 3cda n GLY 703 N 3.20 3.56 3.63 8.12 0.00 -0.04 -3.43 105.19 120.24 3cda n GLY 703 Ca -0.16 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 4.07 -0.20 1.61 -0.14 0.04 -1.44 119.74 123.68 3cda s LYS 704 Ca 0.00 0.05 -0.17 0.00 -1.36 0.00 0.00 55.97 54.49 3cda s LYS 704 Cb 0.00 -3.61 -0.04 0.00 -1.68 0.00 0.00 37.83 32.51 3cda s LYS 704 CO 0.00 -0.16 0.44 -1.12 -0.76 0.00 0.00 175.35 173.75 3cda s SER 705 N 1.39 6.48 0.06 2.83 0.01 -0.34 -0.29 113.70 123.84 3cda s SER 705 Ca 0.15 0.57 0.04 0.00 1.31 0.00 0.00 55.95 58.03 3cda s SER 705 Cb -0.15 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 3cda s SER 705 CO 0.09 -0.11 -0.12 -0.69 0.41 0.00 0.00 173.24 172.82 3cda s VAL 706 N 1.43 0.88 0.02 3.43 1.01 0.86 0.58 120.40 128.61 3cda s VAL 706 Ca 0.21 -1.16 0.04 0.00 0.00 0.00 0.00 61.98 61.07 3cda s VAL 706 Cb -0.15 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 3cda s VAL 706 CO 0.09 -0.25 -0.12 0.54 0.00 0.00 0.00 175.10 175.36 3cda s VAL 707 N -1.23 0.97 0.05 2.92 0.11 -0.65 -0.52 120.40 122.05 3cda s VAL 707 Ca -0.04 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.24 3cda s VAL 707 Cb -0.10 -0.86 -0.03 0.00 -1.53 0.00 0.00 36.38 33.87 3cda s VAL 707 CO 0.01 0.07 -0.08 0.00 -3.33 0.00 0.00 175.10 171.77 3cda s GLU 709 N -1.69 0.91 0.10 0.00 -1.05 -0.08 -1.83 118.70 115.05 3cda s GLU 709 Ca -0.08 -0.27 -0.18 0.00 -0.15 0.00 0.00 54.97 54.29 3cda s GLU 709 Cb -0.09 0.41 0.04 0.00 -0.44 0.00 0.00 34.13 34.04 3cda s GLU 709 CO 0.00 -0.30 0.43 0.00 0.95 0.00 0.00 175.26 176.35 3cda s ALA 710 N -2.18 -1.05 -0.16 -0.84 0.00 -0.56 -1.21 121.76 115.76 3cda s ALA 710 Ca -0.07 0.17 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 3cda s ALA 710 Cb -0.01 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 23.67 3cda s ALA 710 CO -0.00 -0.59 -0.09 0.08 0.00 0.00 0.00 175.76 175.16 3cda s VAL 711 N -3.30 3.29 -0.35 0.00 1.01 -1.26 -1.46 120.40 118.33 3cda s VAL 711 Ca -0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 3cda s VAL 711 Cb 0.01 -2.43 0.05 0.00 0.00 0.00 0.00 36.38 34.01 3cda s VAL 711 CO -0.08 0.49 0.11 -0.63 0.00 0.00 0.00 175.10 174.99 3cda s ILE 712 N 0.71 3.68 0.68 2.22 -1.09 -0.15 -4.67 121.20 122.58 3cda s ILE 712 Ca -0.04 -1.27 -0.17 0.00 -2.23 0.00 0.00 60.65 56.94 3cda s ILE 712 Cb -0.15 -3.14 -0.03 0.00 -1.58 0.00 0.00 42.46 37.56 3cda s ILE 712 CO 0.02 -0.25 0.73 -2.65 -1.23 0.00 0.00 174.94 171.57 3cda n PRO 713 N 4.78 0.49 -0.27 2.79 -0.02 -1.26 -1.11 135.00 140.40 3cda n PRO 713 Ca -0.11 0.21 -0.01 0.00 -2.02 0.00 0.00 63.50 61.57 3cda n PRO 713 Cb 0.44 -1.99 0.11 0.00 -0.02 0.00 0.00 33.50 32.05 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 -0.11 1.03 -0.55 3.55 0.00 -1.93 -1.57 119.26 119.67 3cda h ALA 714 Ca -0.47 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.53 3cda h ALA 714 Cb 1.35 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 3cda h ALA 714 CO 0.46 0.19 0.15 -0.22 0.00 0.00 0.00 179.25 179.83 3cda h LYS 715 N 0.86 0.29 -0.41 0.00 3.64 -1.90 0.16 116.57 119.20 3cda h LYS 715 Ca 0.33 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.57 3cda h LYS 715 Cb 0.14 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3cda h LYS 715 CO -0.16 0.19 -0.21 0.28 -2.27 0.00 0.00 179.45 177.28 3cda h VAL 716 N 0.30 1.28 -0.70 2.00 2.07 -1.76 -0.38 116.25 119.06 3cda h VAL 716 Ca 0.28 -1.36 0.02 0.00 0.82 0.00 0.00 66.70 66.46 3cda h VAL 716 Cb 0.37 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3cda h VAL 716 CO -0.33 0.46 0.46 0.58 0.02 0.00 0.00 177.57 178.76 3cda h VAL 717 N 0.69 1.14 0.21 2.57 2.07 -0.73 -0.53 116.25 121.67 3cda h VAL 717 Ca 0.09 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3cda h VAL 717 Cb 0.78 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3cda h VAL 717 CO 0.06 0.16 -0.10 0.03 0.02 0.00 0.00 177.57 177.74 3cda h ARG 718 N 0.89 -0.27 0.08 1.57 3.08 -0.35 -1.60 114.38 117.77 3cda h ARG 718 Ca 0.27 0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.21 3cda h ARG 718 Cb -0.01 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.11 3cda h ARG 718 CO -0.07 0.11 -0.57 0.93 -1.07 0.00 0.00 179.97 179.31 3cda h GLU 719 N -0.84 0.17 0.16 0.04 5.08 -0.97 -1.11 114.58 117.11 3cda h GLU 719 Ca -0.03 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 3cda h GLU 719 Cb 0.51 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3cda h GLU 719 CO 0.05 1.14 -0.08 0.28 -1.00 0.00 0.00 179.01 179.40 3cda h VAL 720 N -0.62 0.68 -0.00 3.13 2.07 -1.31 -3.38 116.25 116.82 3cda h VAL 720 Ca -0.11 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.26 3cda h VAL 720 Cb 1.40 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 3cda h VAL 720 CO 0.08 0.19 -0.48 0.18 0.02 0.00 0.00 177.57 177.56 3cda n LEU 721 N -4.90 0.86 -1.18 2.57 4.77 -1.10 -4.97 117.00 113.05 3cda n LEU 721 Ca -0.07 -0.21 -0.13 0.00 -0.03 0.00 0.00 56.01 55.57 3cda n LEU 721 Cb 0.24 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 3cda n LEU 721 CO 0.21 0.18 -0.14 0.29 -1.33 0.00 0.00 177.39 176.60 3cda n LYS 722 N -1.09 -0.96 -1.54 3.23 4.76 -0.42 -4.71 118.16 117.42 3cda n LYS 722 Ca 0.08 0.86 0.00 0.00 -2.87 0.00 0.00 58.31 56.38 3cda n LYS 722 Cb 0.35 -4.97 0.00 0.00 -1.84 0.00 0.00 35.03 28.56 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 -3.08 0.00 -4.41 -0.18 5.66 -0.95 -4.93 114.28 106.39 3cda n THR 723 Ca -0.14 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.62 3cda n THR 723 Cb 0.50 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.19 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 -2.34 2.83 0.19 1.09 -4.23 -1.26 -3.37 115.64 108.54 3cda s THR 724 Ca 0.00 -2.22 -0.11 0.00 -1.18 0.00 0.00 61.69 58.17 3cda s THR 724 Cb 0.00 -2.51 0.11 0.00 1.34 0.00 0.00 72.50 71.44 3cda s THR 724 CO 0.00 -0.39 1.79 0.74 -0.54 0.00 0.00 174.62 176.22 3cda h THR 725 N 2.12 1.22 -0.48 3.99 2.02 -1.89 -2.51 112.91 117.38 3cda h THR 725 Ca -0.42 -0.58 0.07 0.00 0.77 0.00 0.00 66.41 66.26 3cda h THR 725 Cb 1.26 0.40 -0.06 0.00 -1.74 0.00 0.00 68.15 68.00 3cda h THR 725 CO 0.60 0.24 0.13 -0.08 0.37 0.00 0.00 175.52 176.79 3cda h GLU 726 N 0.90 0.27 -0.62 6.66 4.81 -1.91 -1.58 114.58 123.12 3cda h GLU 726 Ca 0.23 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 3cda h GLU 726 Cb 0.08 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 3cda h GLU 726 CO -0.03 0.18 0.11 0.00 -0.73 0.00 0.00 179.01 178.54 3cda h ALA 727 N 1.35 1.04 -0.10 2.92 0.00 -1.92 -2.13 119.26 120.42 3cda h ALA 727 Ca 0.24 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 3cda h ALA 727 Cb 0.28 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3cda h ALA 727 CO -0.28 0.62 -0.71 0.52 0.00 0.00 0.00 179.25 179.41 3cda h MET 728 N 0.94 0.45 -0.29 0.00 2.86 -1.02 -1.51 114.93 116.36 3cda h MET 728 Ca 0.19 -0.36 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 3cda h MET 728 Cb 0.39 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 3cda h MET 728 CO 0.01 0.99 -0.09 0.82 1.06 0.00 0.00 176.91 179.70 3cda h ILE 729 N 0.31 1.28 -0.74 -1.22 2.04 -1.25 0.12 117.51 118.06 3cda h ILE 729 Ca -0.03 -1.13 0.03 0.00 1.00 0.00 0.00 64.86 64.73 3cda h ILE 729 Cb 1.28 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 38.74 3cda h ILE 729 CO 0.12 0.36 0.46 -0.08 0.00 0.00 0.00 178.15 179.02 3cda h GLU 730 N 0.33 0.88 -0.28 2.37 4.81 -1.29 0.14 114.58 121.54 3cda h GLU 730 Ca 0.07 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 3cda h GLU 730 Cb 0.58 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3cda h GLU 730 CO 0.03 0.58 -0.09 0.28 -0.73 0.00 0.00 179.01 179.08 3cda h VAL 731 N 0.90 1.29 -0.37 0.32 2.07 -1.21 -2.74 116.25 116.50 3cda h VAL 731 Ca 0.30 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 3cda h VAL 731 Cb 0.02 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3cda h VAL 731 CO -0.11 0.36 0.06 -1.13 0.02 0.00 0.00 177.57 176.77 3cda h ASN 732 N 0.30 0.60 0.00 0.57 -1.24 -0.12 0.13 115.58 115.82 3cda h ASN 732 Ca 0.07 -0.26 0.00 0.00 0.71 0.00 0.00 56.30 56.81 3cda h ASN 732 Cb 0.58 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.47 3cda h ASN 732 CO 0.03 0.71 -0.01 0.40 -1.29 0.00 0.00 177.43 177.28 3cda h ILE 733 N 0.46 0.98 0.00 2.57 2.04 -0.84 -1.05 117.51 121.68 3cda h ILE 733 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 3cda h ILE 733 Cb 0.37 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3cda h ILE 733 CO 0.01 0.00 -0.38 0.59 0.00 0.00 0.00 178.15 178.37 3cda n ASN 734 N -5.10 0.71 -0.04 1.72 3.02 -1.03 -0.89 115.26 113.65 3cda n ASN 734 Ca -0.07 0.28 -0.04 0.00 -0.03 0.00 0.00 54.58 54.72 3cda n ASN 734 Cb 0.04 -0.20 -0.01 0.00 -0.61 0.00 0.00 39.78 38.99 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 -2.12 0.23 0.16 3.52 4.81 0.42 -1.96 118.16 123.22 3cda n LYS 735 Ca 0.04 0.12 0.03 0.00 -0.87 0.00 0.00 58.31 57.64 3cda n LYS 735 Cb 0.43 -0.95 0.21 0.00 0.02 0.00 0.00 35.03 34.74 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 -0.45 0.00 0.00 3.14 2.35 -1.34 -1.88 115.58 117.41 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 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3cda h ASN 736 CO 0.00 0.48 -0.20 0.18 -1.65 0.00 0.00 177.43 176.24 3cda n LEU 737 N -3.45 0.42 -0.13 1.61 4.77 -1.08 -4.10 117.00 115.03 3cda n LEU 737 Ca 0.00 0.13 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 3cda n LEU 737 Cb 0.61 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3cda n LEU 737 CO 0.39 -0.46 0.66 0.58 -1.33 0.00 0.00 177.39 177.23 3cda h VAL 738 N -0.22 1.28 -0.07 4.08 2.07 -1.19 -0.70 116.25 121.50 3cda h VAL 738 Ca 0.00 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.20 3cda h VAL 738 Cb 0.20 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3cda h VAL 738 CO 0.00 0.44 0.03 1.23 0.02 0.00 0.00 177.57 179.29 3cda h GLY 739 N 0.62 0.12 1.44 2.17 0.00 -0.77 -1.11 103.07 105.54 3cda h GLY 739 Ca 0.09 -0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.36 3cda h GLY 739 CO 0.06 0.06 0.37 1.76 0.00 0.00 0.00 176.54 178.79 3cda h SER 740 N -0.04 0.64 -0.33 0.19 0.02 -1.33 -1.50 113.55 111.19 3cda h SER 740 Ca 0.02 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3cda h SER 740 Cb 0.17 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3cda h SER 740 CO -0.00 0.46 0.17 0.00 -1.14 0.00 0.00 176.83 176.32 3cda h ALA 741 N 1.65 0.42 0.00 3.77 0.00 -0.57 -1.67 119.26 122.86 3cda h ALA 741 Ca 0.21 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3cda h ALA 741 Cb -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3cda h ALA 741 CO -0.05 -0.04 -0.39 0.52 0.00 0.00 0.00 179.25 179.30 3cda h MET 742 N 0.40 0.00 0.00 0.00 2.86 -0.87 -2.13 114.93 115.19 3cda h MET 742 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3cda h MET 742 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3cda h MET 742 CO -0.02 0.39 0.00 0.00 1.06 0.00 0.00 176.91 178.34 3cda n ALA 743 N -2.39 2.42 -2.68 6.32 0.00 -0.60 -4.94 120.51 118.64 3cda n ALA 743 Ca -0.01 -0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.22 3cda n ALA 743 Cb 0.45 -1.48 0.04 0.00 0.00 0.00 0.00 19.45 18.47 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 1.34 0.09 3.84 0.00 0.00 -0.80 -5.02 105.19 104.64 3cda n GLY 744 Ca 0.12 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.58 6.85 -0.30 1.61 0.15 -0.69 -5.05 113.70 112.68 3cda s SER 745 Ca 0.03 1.05 -0.04 0.00 0.70 0.00 0.00 55.95 57.68 3cda s SER 745 Cb -0.01 -2.28 0.04 0.00 -1.71 0.00 0.00 66.02 62.06 3cda s SER 745 CO 0.33 0.21 0.03 -0.63 1.20 0.00 0.00 173.24 174.38 3cda s ILE 746 N -1.28 3.35 -0.03 6.45 -1.09 -1.26 -4.69 121.20 122.64 3cda s ILE 746 Ca 0.32 -1.16 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 3cda s ILE 746 Cb -0.16 -2.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.86 3cda s ILE 746 CO 0.18 -0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.44 3cda n GLY 747 N 4.72 0.47 2.39 6.18 0.00 -1.26 -4.93 105.19 112.76 3cda n GLY 747 Ca -0.14 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.68 6.02 2.61 -0.02 0.00 -1.26 -1.72 105.19 108.14 3cda n GLY 748 Ca -0.00 -2.61 -0.40 0.00 0.00 0.00 0.00 46.02 43.01 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 -0.64 2.69 -3.78 1.61 4.02 -0.76 -4.81 117.16 115.50 3cda n TYR 749 Ca 0.47 -2.58 -0.09 0.00 -0.01 0.00 0.00 57.90 55.69 3cda n TYR 749 Cb 0.68 -1.38 -0.03 0.00 -0.02 0.00 0.00 39.34 38.59 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 -0.77 -0.28 -0.13 7.72 2.20 -1.20 -0.15 114.94 122.34 3cda s ASN 750 Ca 0.45 -0.53 -0.07 0.00 -0.94 0.00 0.00 52.86 51.77 3cda s ASN 750 Cb 0.22 0.64 -0.05 0.00 -2.00 0.00 0.00 41.25 40.06 3cda s ASN 750 CO -0.15 -1.16 0.02 0.00 -2.94 0.00 0.00 177.10 172.87 3cda h ALA 751 N 2.11 0.02 -0.10 3.54 0.00 -1.92 -3.46 119.26 119.45 3cda h ALA 751 Ca -0.25 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.17 3cda h ALA 751 Cb 1.26 0.23 -0.23 0.00 0.00 0.00 0.00 17.79 19.05 3cda h ALA 751 CO 0.32 0.22 -0.55 -2.39 0.00 0.00 0.00 179.25 176.85 3cda n HIS 752 N -4.68 -0.66 -0.33 0.00 1.44 -1.26 -4.95 115.22 104.78 3cda n HIS 752 Ca -0.06 -1.44 0.24 0.00 -2.01 0.00 0.00 57.72 54.46 3cda n HIS 752 Cb 0.18 0.75 0.46 0.00 0.12 0.00 0.00 29.99 31.50 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 1.17 1.75 -0.75 1.59 0.00 -1.88 0.20 119.26 121.35 3cda h ALA 753 Ca -0.38 0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3cda h ALA 753 Cb 1.38 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 19.55 3cda h ALA 753 CO -0.09 -0.77 0.49 0.00 0.00 0.00 0.00 179.25 178.87 3cda h ALA 754 N 1.98 1.44 -0.45 0.00 0.00 -1.93 -0.69 119.26 119.61 3cda h ALA 754 Ca 0.74 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.67 3cda h ALA 754 Cb 1.79 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 19.20 3cda h ALA 754 CO -0.81 0.51 -0.01 -0.91 0.00 0.00 0.00 179.25 178.03 3cda h ASN 755 N 1.02 -0.20 -0.07 0.00 2.35 -1.36 -0.14 115.58 117.19 3cda h ASN 755 Ca 0.27 0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 56.07 3cda h ASN 755 Cb -0.10 0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3cda h ASN 755 CO -0.06 -0.06 -0.20 0.40 -1.65 0.00 0.00 177.43 175.86 3cda h ILE 756 N 0.10 1.43 -0.71 2.81 5.03 -1.43 -2.28 117.51 122.46 3cda h ILE 756 Ca 0.22 -1.56 0.10 0.00 -0.12 0.00 0.00 64.86 63.50 3cda h ILE 756 Cb 0.32 2.27 -0.07 0.00 -3.03 0.00 0.00 36.82 36.31 3cda h ILE 756 CO -0.37 0.44 0.34 0.58 -0.68 0.00 0.00 178.15 178.46 3cda h VAL 757 N -0.25 0.82 -0.25 1.67 2.07 -1.07 -1.44 116.25 117.81 3cda h VAL 757 Ca -0.01 -0.20 -0.18 0.00 0.82 0.00 0.00 66.70 67.14 3cda h VAL 757 Cb 0.81 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3cda h VAL 757 CO 0.04 0.10 -0.53 0.74 0.02 0.00 0.00 177.57 177.95 3cda h THR 758 N 0.57 1.29 -0.39 2.57 2.02 -1.03 -0.73 112.91 117.22 3cda h THR 758 Ca 0.35 -1.73 -0.04 0.00 0.77 0.00 0.00 66.41 65.77 3cda h THR 758 Cb 0.40 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 3cda h THR 758 CO -0.28 0.56 0.08 0.00 0.37 0.00 0.00 175.52 176.25 3cda h ALA 759 N 0.64 0.51 -0.29 6.16 0.00 -1.06 -1.48 119.26 123.75 3cda h ALA 759 Ca 0.01 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3cda h ALA 759 Cb 1.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3cda h ALA 759 CO 0.12 0.20 -0.34 0.82 0.00 0.00 0.00 179.25 180.05 3cda h ILE 760 N 0.48 1.29 -0.56 0.00 2.04 -1.27 -0.81 117.51 118.67 3cda h ILE 760 Ca 0.12 -1.47 -0.07 0.00 1.00 0.00 0.00 64.86 64.44 3cda h ILE 760 Cb 0.33 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 3cda h ILE 760 CO 0.00 0.47 0.07 1.88 0.00 0.00 0.00 178.15 180.58 3cda h TYR 761 N 0.53 1.01 -0.40 1.37 -1.99 -0.78 -1.10 116.97 115.61 3cda h TYR 761 Ca 0.06 -0.15 -0.10 0.00 2.00 0.00 0.00 58.73 60.54 3cda h TYR 761 Cb 0.83 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 39.28 3cda h TYR 761 CO 0.04 0.89 -0.16 0.82 -0.00 0.00 0.00 178.16 179.75 3cda h ILE 762 N 0.83 1.28 -0.91 -2.88 2.04 -1.24 -0.72 117.51 115.92 3cda h ILE 762 Ca 0.17 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.74 3cda h ILE 762 Cb 0.44 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 3cda h ILE 762 CO 0.01 0.43 0.53 0.00 0.00 0.00 0.00 178.15 179.12 3cda h ALA 763 N 0.82 1.16 -0.59 1.87 0.00 -1.25 -3.26 119.26 118.01 3cda h ALA 763 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3cda h ALA 763 Cb 0.70 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3cda h ALA 763 CO 0.05 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.94 3cda n GLY 765 N 1.00 0.27 3.91 0.00 0.00 -0.98 -4.56 105.19 104.83 3cda n GLY 765 Ca 0.23 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.01 1.54 -0.61 1.61 -1.52 -0.31 -2.81 119.66 113.54 3cda s GLN 766 Ca 0.00 -0.06 -0.25 0.00 -1.95 0.00 0.00 55.36 53.10 3cda s GLN 766 Cb 0.00 -1.92 0.04 0.00 -0.22 0.00 0.00 33.01 30.92 3cda s GLN 766 CO 0.00 -1.86 1.06 0.34 -0.25 0.00 0.00 175.29 174.58 3cda s ASP 767 N -4.68 6.29 0.47 5.90 -1.08 -1.26 -4.76 116.67 117.56 3cda s ASP 767 Ca 0.66 -0.41 0.31 0.00 -0.52 0.00 0.00 52.55 52.59 3cda s ASP 767 Cb -0.09 -2.48 1.28 0.00 -1.46 0.00 0.00 42.92 40.17 3cda s ASP 767 CO 0.50 -1.43 1.92 0.00 0.52 0.00 0.00 175.17 176.67 3cda h ALA 768 N 9.54 1.00 0.00 3.66 0.00 -1.95 -1.85 119.26 129.66 3cda h ALA 768 Ca -0.27 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3cda h ALA 768 Cb 1.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3cda h ALA 768 CO 1.16 0.00 -0.20 0.00 0.00 0.00 0.00 179.25 180.22 3cda h ALA 769 N 2.07 1.13 0.00 0.00 0.00 -2.01 -2.68 119.26 117.78 3cda h ALA 769 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3cda h ALA 769 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3cda h ALA 769 CO 0.00 0.24 0.00 1.04 0.00 0.00 0.00 179.25 180.53 3cda n GLN 770 N -3.52 0.80 0.29 0.00 6.02 -0.69 -2.93 117.38 117.35 3cda n GLN 770 Ca -0.01 0.00 0.18 0.00 -0.01 0.00 0.00 57.00 57.16 3cda n GLN 770 Cb 0.35 -1.36 0.80 0.00 1.02 0.00 0.00 30.24 31.06 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 -0.24 1.08 -1.07 -1.64 -0.69 115.58 113.02 3cda h ASN 771 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 56.30 56.41 3cda h ASN 771 Cb 0.00 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 36.18 3cda h ASN 771 CO 0.00 0.03 -0.51 0.58 0.07 0.00 0.00 177.43 177.60 3cda h VAL 772 N 0.00 0.04 0.04 6.14 2.07 -1.78 -1.04 116.25 121.71 3cda h VAL 772 Ca -0.00 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.24 3cda h VAL 772 Cb 0.39 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 3cda h VAL 772 CO 0.00 0.00 -1.53 1.23 0.02 0.00 0.00 177.57 177.30 3cda h GLY 773 N -0.49 0.10 2.00 2.17 0.00 -1.83 -3.37 103.07 101.65 3cda h GLY 773 Ca 0.07 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 3cda h GLY 773 CO -0.49 0.22 -0.18 1.76 0.00 0.00 0.00 176.54 177.84 3cda h SER 774 N 0.02 0.00 0.59 0.19 0.02 -1.07 -2.15 113.55 111.15 3cda h SER 774 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3cda h SER 774 Cb 1.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.50 3cda h SER 774 CO 0.11 0.18 0.00 -1.20 -1.14 0.00 0.00 176.83 174.78 3cda n SER 775 N -3.92 0.00 -4.66 3.07 7.64 -0.40 -4.45 113.62 110.90 3cda n SER 775 Ca -0.02 0.11 -0.49 0.00 1.01 0.00 0.00 58.87 59.48 3cda n SER 775 Cb 0.27 -0.35 -0.05 0.00 -1.01 0.00 0.00 64.21 63.07 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 -1.35 2.84 -3.64 6.43 3.02 -0.81 -4.59 115.26 117.17 3cda n ASN 776 Ca 0.10 1.06 -0.06 0.00 -0.03 0.00 0.00 54.58 55.65 3cda n ASN 776 Cb 0.23 -1.34 -0.07 0.00 -0.61 0.00 0.00 39.78 37.99 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 1.71 3.90 -0.23 0.00 2.07 -0.79 -1.83 121.20 126.03 3cda s ILE 778 Ca -0.09 -0.32 -0.08 0.00 -1.41 0.00 0.00 60.65 58.75 3cda s ILE 778 Cb -0.05 -2.79 -0.04 0.00 0.13 0.00 0.00 42.46 39.71 3cda s ILE 778 CO -0.19 0.39 0.10 -0.89 -1.91 0.00 0.00 174.94 172.44 3cda s THR 779 N 1.41 4.74 0.05 4.00 2.01 0.79 -1.72 115.64 126.93 3cda s THR 779 Ca 0.05 -0.03 0.09 0.00 0.31 0.00 0.00 61.69 62.10 3cda s THR 779 Cb -0.15 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 3cda s THR 779 CO 0.01 0.36 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.30 3cda s LEU 780 N 1.21 2.34 -0.07 4.42 1.43 -0.06 -4.86 118.68 123.08 3cda s LEU 780 Ca 0.05 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.57 3cda s LEU 780 Cb -0.14 -1.36 0.04 0.00 0.03 0.00 0.00 46.19 44.76 3cda s LEU 780 CO 0.04 0.25 0.14 -0.04 0.23 0.00 0.00 176.35 176.97 3cda s MET 781 N -1.40 0.01 0.12 1.70 -1.94 -1.26 -1.39 119.30 115.13 3cda s MET 781 Ca 0.13 0.51 0.05 0.00 -1.71 0.00 0.00 55.69 54.68 3cda s MET 781 Cb -0.10 -0.32 -0.04 0.00 2.01 0.00 0.00 34.83 36.38 3cda s MET 781 CO 0.04 -0.31 -0.13 -1.21 -0.01 0.00 0.00 175.02 173.40 3cda s GLU 782 N 2.22 0.99 0.21 2.03 2.02 -0.16 -4.85 118.70 121.16 3cda s GLU 782 Ca 0.03 -1.24 -0.25 0.00 0.02 0.00 0.00 54.97 53.53 3cda s GLU 782 Cb -0.12 -0.81 -0.08 0.00 0.10 0.00 0.00 34.13 33.21 3cda s GLU 782 CO -0.05 0.15 0.81 0.00 0.02 0.00 0.00 175.26 176.19 3cda s ALA 783 N -2.28 3.39 0.19 5.21 0.00 -1.26 -0.93 121.76 126.08 3cda s ALA 783 Ca 0.09 0.38 -0.00 0.00 0.00 0.00 0.00 51.96 52.42 3cda s ALA 783 Cb -0.04 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 3cda s ALA 783 CO 0.02 0.27 0.10 0.45 0.00 0.00 0.00 175.76 176.60 3cda s SER 784 N -1.33 0.45 0.00 0.00 0.15 0.19 -4.81 113.70 108.35 3cda s SER 784 Ca 0.40 -1.33 0.00 0.00 0.70 0.00 0.00 55.95 55.72 3cda s SER 784 Cb -0.21 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 3cda s SER 784 CO 0.25 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.53 3cda n GLY 785 N -0.26 -2.36 0.15 9.45 0.00 -1.26 -1.88 105.19 109.03 3cda n GLY 785 Ca -0.01 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 3cda n GLY 785 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cda h PRO 786 N 0.00 0.35 -0.18 1.61 0.13 -1.99 -3.20 132.00 128.72 3cda h PRO 786 Ca 0.00 -0.35 -0.09 0.00 -0.87 0.00 0.00 66.00 64.68 3cda h PRO 786 Cb 0.00 0.09 -0.06 0.00 0.13 0.00 0.00 31.00 31.17 3cda h PRO 786 CO 0.00 1.03 -0.28 0.25 -0.23 0.00 0.00 178.00 178.77 3cda n THR 787 N -3.75 2.38 -3.78 1.56 -2.24 -1.26 -4.97 114.28 102.22 3cda n THR 787 Ca -0.05 -2.98 -0.25 0.00 -2.27 0.00 0.00 64.05 58.49 3cda n THR 787 Cb 0.79 -0.28 0.03 0.00 -2.10 0.00 0.00 70.33 68.77 3cda n THR 787 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3cda n ASN 788 N -1.12 -3.22 -0.05 3.42 3.02 -1.21 -4.91 115.26 111.19 3cda n ASN 788 Ca 0.26 -0.78 0.02 0.00 -0.03 0.00 0.00 54.58 54.06 3cda n ASN 788 Cb 0.87 -4.08 -0.01 0.00 -0.61 0.00 0.00 39.78 35.94 3cda n ASN 788 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cda n GLU 789 N -4.51 4.15 -3.72 3.52 1.02 -1.07 -4.55 120.64 115.47 3cda n GLU 789 Ca -0.12 -0.20 -0.32 0.00 -0.02 0.00 0.00 57.16 56.51 3cda n GLU 789 Cb 0.60 -0.79 -0.05 0.00 -0.02 0.00 0.00 31.44 31.19 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 -1.11 6.47 -0.39 1.62 1.01 -0.79 -3.42 116.67 120.06 3cda s ASP 790 Ca 0.02 0.53 -0.07 0.00 0.71 0.00 0.00 52.55 53.74 3cda s ASP 790 Cb 0.03 -2.07 0.07 0.00 1.01 0.00 0.00 42.92 41.96 3cda s ASP 790 CO 0.13 0.08 0.20 -0.22 0.21 0.00 0.00 175.17 175.57 3cda s LEU 791 N -2.58 4.86 -0.03 1.23 2.96 -0.26 -0.63 118.68 124.22 3cda s LEU 791 Ca 0.39 -1.43 -0.30 0.00 -0.22 0.00 0.00 54.13 52.57 3cda s LEU 791 Cb -0.12 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 3cda s LEU 791 CO 0.25 -0.46 1.20 -0.47 -1.32 0.00 0.00 176.35 175.55 3cda s TYR 792 N 1.38 3.23 0.01 5.38 5.04 -0.11 -0.98 117.35 131.30 3cda s TYR 792 Ca 0.02 1.22 0.05 0.00 -2.44 0.00 0.00 57.07 55.93 3cda s TYR 792 Cb -0.22 -3.42 -0.02 0.00 0.35 0.00 0.00 41.96 38.65 3cda s TYR 792 CO 0.02 -1.32 -0.17 -1.50 -1.34 0.00 0.00 175.55 171.24 3cda s ILE 793 N 2.02 1.34 0.01 3.14 2.07 -0.54 -0.99 121.20 128.25 3cda s ILE 793 Ca 0.56 -0.85 -0.02 0.00 -1.41 0.00 0.00 60.65 58.93 3cda s ILE 793 Cb -0.26 -1.14 -0.01 0.00 0.13 0.00 0.00 42.46 41.19 3cda s ILE 793 CO 0.23 0.28 0.03 -0.94 -1.91 0.00 0.00 174.94 172.63 3cda s SER 794 N -0.66 0.15 -0.08 4.50 1.04 -0.49 -1.50 113.70 116.66 3cda s SER 794 Ca 0.06 -0.35 0.04 0.00 0.48 0.00 0.00 55.95 56.17 3cda s SER 794 Cb -0.07 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.18 3cda s SER 794 CO 0.00 -0.29 -0.21 0.00 0.98 0.00 0.00 173.24 173.72 3cda s THR 796 N 0.28 2.73 -0.34 0.00 2.01 -0.70 -1.19 115.64 118.43 3cda s THR 796 Ca -0.14 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.15 3cda s THR 796 Cb -0.16 -2.19 0.10 0.00 0.01 0.00 0.00 72.50 70.26 3cda s THR 796 CO 0.06 0.49 0.10 -0.04 -0.69 0.00 0.00 174.62 174.55 3cda s MET 797 N 1.17 1.02 0.00 4.92 -1.94 0.33 -1.88 119.30 122.93 3cda s MET 797 Ca 0.02 -1.44 0.30 0.00 -1.71 0.00 0.00 55.69 52.86 3cda s MET 797 Cb -0.14 -2.42 1.46 0.00 2.01 0.00 0.00 34.83 35.74 3cda s MET 797 CO -0.05 -0.99 2.03 -0.35 -0.01 0.00 0.00 175.02 175.64 3cda n PRO 798 N 4.51 0.33 -2.84 2.03 -0.04 -1.26 -0.10 135.00 137.63 3cda n PRO 798 Ca 0.01 -0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.35 3cda n PRO 798 Cb 0.41 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.33 0.36 -4.59 3.54 3.41 -1.22 -2.56 113.62 111.23 3cda n SER 799 Ca 0.13 -2.88 -0.42 0.00 -0.26 0.00 0.00 58.87 55.44 3cda n SER 799 Cb 0.26 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 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 -2.06 3.83 -0.49 -1.33 1.01 0.61 -3.20 121.20 119.57 3cda s ILE 800 Ca 0.30 0.77 -0.19 0.00 0.00 0.00 0.00 60.65 61.53 3cda s ILE 800 Cb 0.40 -4.32 0.05 0.00 0.01 0.00 0.00 42.46 38.60 3cda s ILE 800 CO -0.03 -0.98 0.60 -1.61 0.00 0.00 0.00 174.94 172.92 3cda s GLU 801 N 5.29 3.13 0.18 2.79 2.02 -1.26 -0.78 118.70 130.06 3cda s GLU 801 Ca 0.57 -0.84 -0.10 0.00 0.02 0.00 0.00 54.97 54.61 3cda s GLU 801 Cb -0.12 -4.07 -0.00 0.00 0.10 0.00 0.00 34.13 30.03 3cda s GLU 801 CO 0.28 -1.16 0.33 -1.50 0.02 0.00 0.00 175.26 173.24 3cda s ILE 802 N 2.56 0.05 0.04 -1.63 2.07 -1.26 -4.87 121.20 118.16 3cda s ILE 802 Ca 0.15 -1.33 -0.27 0.00 -1.41 0.00 0.00 60.65 57.79 3cda s ILE 802 Cb -0.19 -1.88 0.09 0.00 0.13 0.00 0.00 42.46 40.62 3cda s ILE 802 CO 0.13 -0.23 0.82 -0.83 -1.91 0.00 0.00 174.94 172.92 3cda s GLY 803 N -2.97 -0.49 0.00 1.50 0.00 -1.26 -3.24 107.32 100.86 3cda s GLY 803 Ca 0.18 0.85 0.00 0.00 0.00 0.00 0.00 44.72 45.74 3cda s GLY 803 CO 0.01 0.28 0.37 -1.30 0.00 0.00 0.00 173.10 172.47 3cda n THR 804 N -0.29 0.00 -4.88 0.90 -2.24 0.18 -4.85 114.28 103.11 3cda n THR 804 Ca -0.11 -0.37 -0.27 0.00 -2.27 0.00 0.00 64.05 61.03 3cda n THR 804 Cb 0.62 1.25 -0.15 0.00 -2.10 0.00 0.00 70.33 69.96 3cda n THR 804 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3cda s VAL 805 N -0.00 1.69 0.00 2.28 1.01 -1.18 -1.69 120.40 122.50 3cda s VAL 805 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.94 3cda s VAL 805 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.95 3cda s VAL 805 CO 0.00 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.07 3cda n GLY 806 N 2.24 -1.12 7.00 4.51 0.00 -1.26 -4.24 105.19 112.32 3cda n GLY 806 Ca -0.16 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.36 3.21 0.06 -0.02 0.00 -1.26 -1.95 105.19 103.87 3cda n GLY 807 Ca 0.00 -0.25 0.09 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 -1.10 0.00 -0.02 0.00 -1.12 -2.57 105.19 100.38 3cda n GLY 808 Ca 0.00 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.82 0.00 0.67 2.61 -2.24 -0.82 -2.61 114.28 110.07 3cda n THR 809 Ca 0.03 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.93 3cda n THR 809 Cb 0.19 -0.55 0.31 0.00 -2.10 0.00 0.00 70.33 68.17 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 -1.01 0.66 -4.82 3.42 3.02 -1.06 -4.60 115.26 110.87 3cda n ASN 810 Ca 0.21 0.29 -0.38 0.00 -0.03 0.00 0.00 54.58 54.68 3cda n ASN 810 Cb 0.10 -0.25 -0.06 0.00 -0.61 0.00 0.00 39.78 38.96 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 -4.11 4.50 0.16 3.41 1.43 -1.07 -4.98 118.68 118.01 3cda s LEU 811 Ca 0.09 1.19 -0.12 0.00 -1.03 0.00 0.00 54.13 54.26 3cda s LEU 811 Cb 0.14 -2.89 0.05 0.00 0.03 0.00 0.00 46.19 43.52 3cda s LEU 811 CO 0.65 0.26 1.66 -0.07 0.23 0.00 0.00 176.35 179.08 3cda h LEU 812 N 4.45 0.87 -0.63 1.79 3.38 -1.90 -0.43 115.31 122.84 3cda h LEU 812 Ca -0.50 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.20 3cda h LEU 812 Cb 1.21 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 3cda h LEU 812 CO 0.63 0.90 0.32 -0.65 0.09 0.00 0.00 178.44 179.74 3cda h PRO 813 N 0.80 0.89 -0.34 1.13 0.11 -1.95 -0.76 132.00 131.89 3cda h PRO 813 Ca 0.17 -0.12 -0.06 0.00 0.11 0.00 0.00 66.00 66.10 3cda h PRO 813 Cb 0.39 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 3cda h PRO 813 CO 0.01 0.70 -0.04 1.96 -0.21 0.00 0.00 178.00 180.41 3cda h GLN 814 N 0.86 0.54 0.00 1.05 7.50 -1.71 -2.30 115.11 121.05 3cda h GLN 814 Ca 0.22 -0.13 -0.06 0.00 0.50 0.00 0.00 58.65 59.17 3cda h GLN 814 Cb 0.08 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.53 3cda h GLN 814 CO -0.03 0.60 -0.31 1.96 -1.50 0.00 0.00 178.83 179.55 3cda h GLN 815 N 0.51 0.00 -0.58 1.46 4.20 -0.46 -2.61 115.11 117.62 3cda h GLN 815 Ca 0.10 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 3cda h GLN 815 Cb 0.40 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 3cda h GLN 815 CO 0.02 0.31 0.15 0.00 -0.67 0.00 0.00 178.83 178.63 3cda h ALA 816 N 1.69 1.17 -0.01 3.87 0.00 -0.56 0.11 119.26 125.54 3cda h ALA 816 Ca -0.00 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.46 3cda h ALA 816 Cb 0.75 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.32 3cda h ALA 816 CO 0.04 0.57 -0.96 0.00 0.00 0.00 0.00 179.25 178.90 3cda h LEU 818 N 0.28 0.92 -1.13 0.00 3.38 -1.30 -2.80 115.31 114.66 3cda h LEU 818 Ca -0.09 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 3cda h LEU 818 Cb 1.59 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 3cda h LEU 818 CO 0.17 0.79 -0.14 1.56 0.09 0.00 0.00 178.44 180.91 3cda h GLN 819 N 1.00 0.45 -0.84 1.13 4.20 -0.68 -1.69 115.11 118.67 3cda h GLN 819 Ca 0.25 -0.13 0.15 0.00 0.06 0.00 0.00 58.65 58.98 3cda h GLN 819 Cb 0.10 -0.05 -0.10 0.00 0.30 0.00 0.00 27.48 27.73 3cda h GLN 819 CO -0.03 0.58 0.41 0.52 -0.67 0.00 0.00 178.83 179.64 3cda h MET 820 N 0.41 0.56 -0.00 1.46 2.86 -0.92 -2.32 114.93 116.98 3cda h MET 820 Ca 0.08 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3cda h MET 820 Cb 0.49 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.02 3cda h MET 820 CO 0.03 0.37 -0.40 1.28 1.06 0.00 0.00 176.91 179.25 3cda n LEU 821 N -4.91 0.65 -0.12 1.22 4.77 -0.78 -4.67 117.00 113.17 3cda n LEU 821 Ca 0.17 -0.07 -0.01 0.00 -0.03 0.00 0.00 56.01 56.07 3cda n LEU 821 Cb 0.45 -0.21 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3cda n LEU 821 CO 0.20 0.14 -0.01 0.61 -1.33 0.00 0.00 177.39 177.00 3cda n GLY 822 N 1.44 0.42 0.04 -0.72 0.00 -0.71 -4.95 105.19 100.71 3cda n GLY 822 Ca 0.08 -0.96 0.04 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.34 1.23 -2.11 1.61 0.24 -0.78 -5.01 118.33 110.18 3cda n VAL 823 Ca -0.01 -1.36 -0.42 0.00 -2.04 0.00 0.00 64.34 60.50 3cda n VAL 823 Cb 0.21 0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.82 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 -1.58 4.30 1.89 7.34 -0.44 -1.22 -4.74 119.66 125.21 3cda s GLN 824 Ca 0.11 2.15 0.00 0.00 -2.50 0.00 0.00 55.36 55.13 3cda s GLN 824 Cb 0.10 -3.21 0.00 0.00 -1.64 0.00 0.00 33.01 28.26 3cda s GLN 824 CO 0.01 -0.45 0.00 0.41 0.50 0.00 0.00 175.29 175.76 3cda n GLY 825 N 3.33 -1.08 3.75 2.59 0.00 -0.68 -4.83 105.19 108.26 3cda n GLY 825 Ca 0.11 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.42 3.35 -0.21 4.61 0.00 -1.26 -4.59 121.76 122.23 3cda s ALA 826 Ca 0.00 0.60 -0.24 0.00 0.00 0.00 0.00 51.96 52.32 3cda s ALA 826 Cb 0.00 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 3cda s ALA 826 CO 0.00 0.21 0.80 0.00 0.00 0.00 0.00 175.76 176.76 3cda h LYS 828 N 7.54 -0.10 0.00 0.00 6.56 -1.99 -3.20 116.57 125.37 3cda h LYS 828 Ca -0.26 0.01 -0.10 0.00 -1.06 0.00 0.00 60.65 59.23 3cda h LYS 828 Cb 1.11 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.78 3cda h LYS 828 CO 0.84 0.45 -0.47 0.38 -2.06 0.00 0.00 179.45 178.59 3cda h ASP 829 N -0.82 0.00 -2.32 0.86 2.03 -2.06 -3.37 116.42 110.75 3cda h ASP 829 Ca -0.01 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.70 3cda h ASP 829 Cb 0.60 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.71 3cda h ASP 829 CO 0.02 0.47 -0.90 -3.20 -1.03 0.00 0.00 179.24 174.60 3cda n ASN 830 N -3.32 0.93 -4.64 4.15 5.15 -1.26 -5.11 115.26 111.16 3cda n ASN 830 Ca 0.01 -2.78 -0.48 0.00 -0.60 0.00 0.00 54.58 50.73 3cda n ASN 830 Cb 0.66 -0.63 -0.05 0.00 -0.53 0.00 0.00 39.78 39.23 3cda n ASN 830 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3cda n PRO 831 N 1.89 1.74 -0.07 1.20 -0.02 -1.21 -1.97 135.00 136.57 3cda n PRO 831 Ca 0.25 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3cda n PRO 831 Cb 0.47 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 3.02 0.71 0.20 -1.23 0.00 -1.25 -4.88 105.19 101.76 3cda n GLY 832 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 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 3.78 0.20 -0.12 1.61 4.57 -1.71 -1.20 114.58 121.72 3cda h GLU 833 Ca 0.00 -0.08 -0.08 0.00 -1.18 0.00 0.00 59.36 58.02 3cda h GLU 833 Cb 0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 3cda h GLU 833 CO 0.00 0.54 -0.23 -0.91 -1.18 0.00 0.00 179.01 177.23 3cda h ASN 834 N 0.18 0.41 -0.79 1.04 2.35 -1.87 -1.39 115.58 115.51 3cda h ASN 834 Ca 0.02 -0.55 -0.05 0.00 -0.55 0.00 0.00 56.30 55.17 3cda h ASN 834 Cb 0.72 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.94 3cda h ASN 834 CO 0.05 0.89 0.31 0.00 -1.65 0.00 0.00 177.43 177.03 3cda h ALA 835 N 0.54 1.02 -0.66 -0.83 0.00 -1.79 -1.26 119.26 116.28 3cda h ALA 835 Ca 0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3cda h ALA 835 Cb 0.81 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3cda h ALA 835 CO 0.05 0.65 0.31 0.00 0.00 0.00 0.00 179.25 180.27 3cda h ARG 836 N 1.14 0.96 -0.59 0.00 3.08 -1.22 -1.92 114.38 115.84 3cda h ARG 836 Ca 0.26 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 60.06 3cda h ARG 836 Cb 0.22 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3cda h ARG 836 CO -0.02 0.76 -0.04 0.37 -1.07 0.00 0.00 179.97 179.98 3cda h GLN 837 N 0.92 1.06 -0.70 0.04 5.75 -1.00 -1.94 115.11 119.25 3cda h GLN 837 Ca 0.23 -0.36 -0.06 0.00 -0.15 0.00 0.00 58.65 58.30 3cda h GLN 837 Cb 0.13 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 3cda h GLN 837 CO -0.03 1.06 0.19 1.25 -2.65 0.00 0.00 178.83 178.65 3cda h LEU 838 N 0.96 1.05 -0.99 -2.39 5.85 -1.08 -1.10 115.31 117.61 3cda h LEU 838 Ca 0.16 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 3cda h LEU 838 Cb 0.60 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3cda h LEU 838 CO 0.04 1.00 -0.01 0.00 -0.34 0.00 0.00 178.44 179.13 3cda h ALA 839 N 1.09 1.16 -0.67 1.25 0.00 -1.15 -0.49 119.26 120.45 3cda h ALA 839 Ca 0.22 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3cda h ALA 839 Cb 0.35 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3cda h ALA 839 CO -0.00 0.54 0.21 0.00 0.00 0.00 0.00 179.25 180.00 3cda h ARG 840 N 0.67 1.04 -0.42 0.00 3.08 -1.03 -2.09 114.38 115.64 3cda h ARG 840 Ca 0.13 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 3cda h ARG 840 Cb 0.43 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3cda h ARG 840 CO 0.02 0.91 -0.04 0.82 -1.07 0.00 0.00 179.97 180.61 3cda h ILE 841 N 0.98 1.24 0.02 2.04 2.04 -0.62 0.09 117.51 123.30 3cda h ILE 841 Ca 0.22 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 3cda h ILE 841 Cb 0.30 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3cda h ILE 841 CO -0.01 0.34 -0.01 0.58 0.00 0.00 0.00 178.15 179.06 3cda h VAL 842 N 0.65 1.11 -0.96 1.67 2.07 -0.93 -0.88 116.25 118.98 3cda h VAL 842 Ca 0.13 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.25 3cda h VAL 842 Cb 0.46 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 3cda h VAL 842 CO 0.02 0.10 0.63 0.00 0.02 0.00 0.00 177.57 178.35 3cda h GLY 844 N 1.30 0.91 1.65 0.00 0.00 -0.94 -1.58 103.07 104.41 3cda h GLY 844 Ca 0.35 -0.97 -0.15 0.00 0.00 0.00 0.00 47.33 46.56 3cda h GLY 844 CO -0.07 0.87 -0.58 -0.84 0.00 0.00 0.00 176.54 175.92 3cda h THR 845 N 0.67 1.36 -0.27 4.70 2.02 -0.91 -2.02 112.91 118.45 3cda h THR 845 Ca 0.04 -1.89 0.01 0.00 0.77 0.00 0.00 66.41 65.35 3cda h THR 845 Cb 1.01 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 69.31 3cda h THR 845 CO 0.10 0.57 0.16 0.58 0.37 0.00 0.00 175.52 177.29 3cda h VAL 846 N 0.27 1.03 -0.97 3.16 2.07 -0.36 -0.08 116.25 121.37 3cda h VAL 846 Ca -0.00 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.46 3cda h VAL 846 Cb 1.09 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 3cda h VAL 846 CO 0.10 0.06 0.62 -0.03 0.02 0.00 0.00 177.57 178.34 3cda h MET 847 N 0.32 1.13 -0.11 1.57 -1.53 -1.08 0.10 114.93 115.34 3cda h MET 847 Ca 0.11 -0.07 -0.00 0.00 -3.44 0.00 0.00 59.70 56.30 3cda h MET 847 Cb -0.00 -0.25 -0.01 0.00 -0.55 0.00 0.00 31.60 30.79 3cda h MET 847 CO -0.05 0.75 0.07 0.00 0.14 0.00 0.00 176.91 177.81 3cda h ALA 848 N 1.42 0.14 -0.88 0.39 0.00 -0.86 -0.47 119.26 119.00 3cda h ALA 848 Ca 0.40 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.38 3cda h ALA 848 Cb 0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 3cda h ALA 848 CO -0.15 -0.35 0.52 0.78 0.00 0.00 0.00 179.25 180.05 3cda h GLY 849 N 0.12 1.38 1.00 0.00 0.00 -0.09 -2.52 103.07 102.95 3cda h GLY 849 Ca 0.04 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 3cda h GLY 849 CO -0.01 0.16 0.09 0.83 0.00 0.00 0.00 176.54 177.61 3cda h GLU 850 N 0.87 0.86 -0.36 4.80 4.39 -0.24 -2.23 114.58 122.68 3cda h GLU 850 Ca 0.42 -0.23 0.02 0.00 0.34 0.00 0.00 59.36 59.91 3cda h GLU 850 Cb 0.37 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 3cda h GLU 850 CO -0.24 0.84 0.19 -0.07 -1.16 0.00 0.00 179.01 178.58 3cda h LEU 851 N 0.75 0.30 -0.01 1.33 3.38 -0.72 -1.88 115.31 118.46 3cda h LEU 851 Ca 0.16 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3cda h LEU 851 Cb 0.39 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3cda h LEU 851 CO 0.01 0.22 -0.04 -1.28 0.09 0.00 0.00 178.44 177.44 3cda h SER 852 N 0.40 0.05 -0.27 -0.43 0.87 -1.33 -2.06 113.55 110.78 3cda h SER 852 Ca 0.14 -0.67 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 3cda h SER 852 Cb 0.03 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3cda h SER 852 CO -0.08 0.71 0.17 0.25 -0.53 0.00 0.00 176.83 177.35 3cda h LEU 853 N -0.60 0.31 -0.79 2.23 5.85 -1.44 -1.45 115.31 119.42 3cda h LEU 853 Ca -0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3cda h LEU 853 Cb 0.71 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 3cda h LEU 853 CO 0.01 0.24 0.45 0.24 -0.34 0.00 0.00 178.44 179.04 3cda h MET 854 N 0.35 1.09 -0.86 1.25 2.86 -1.40 -0.12 114.93 118.11 3cda h MET 854 Ca 0.10 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3cda h MET 854 Cb -0.02 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.37 3cda h MET 854 CO -0.02 0.79 0.57 0.00 1.06 0.00 0.00 176.91 179.31 3cda h ALA 855 N 1.24 1.09 -0.31 6.32 0.00 -1.15 -0.59 119.26 125.85 3cda h ALA 855 Ca 0.28 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3cda h ALA 855 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3cda h ALA 855 CO -0.05 0.49 -0.27 0.00 0.00 0.00 0.00 179.25 179.42 3cda h ALA 856 N 1.32 0.95 0.00 0.00 0.00 -0.52 -2.61 119.26 118.39 3cda h ALA 856 Ca 0.31 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3cda h ALA 856 Cb -0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3cda h ALA 856 CO -0.07 0.61 -0.53 -0.07 0.00 0.00 0.00 179.25 179.19 3cda h LEU 857 N 0.55 0.00 -0.62 0.00 3.38 -0.74 -3.13 115.31 114.74 3cda h LEU 857 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3cda h LEU 857 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3cda h LEU 857 CO 0.06 0.53 -0.27 0.00 0.09 0.00 0.00 178.44 178.85 3cda h ALA 858 N 1.47 0.91 -0.49 1.53 0.00 -0.75 -3.37 119.26 118.55 3cda h ALA 858 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3cda h ALA 858 Cb 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3cda h ALA 858 CO 0.07 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.66 3cda n ALA 859 N -2.20 0.00 0.00 0.00 0.00 -1.03 -5.00 120.51 112.28 3cda n ALA 859 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3cda n ALA 859 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3cda n ALA 859 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cda n GLY 860 N 2.00 0.71 3.91 0.00 0.00 -1.20 -5.14 105.19 105.48 3cda n GLY 860 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 3cda n GLY 860 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89