#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 1.78 -1.50 5.31 -0.02 -1.26 -4.97 135.00 134.33 3cda n PRO 442 Ca 0.00 0.64 -0.30 0.00 -2.02 0.00 0.00 63.50 61.82 3cda n PRO 442 Cb 0.00 -2.50 0.10 0.00 -0.02 0.00 0.00 33.50 31.08 3cda n PRO 442 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3cda s ARG 443 N 4.28 1.96 0.95 -0.52 3.03 -1.26 -5.00 118.95 122.39 3cda s ARG 443 Ca 0.97 0.66 -0.11 0.00 2.03 0.00 0.00 55.73 59.28 3cda s ARG 443 Cb -0.80 -1.90 0.17 0.00 -1.03 0.00 0.00 34.95 31.38 3cda s ARG 443 CO 0.55 -1.71 1.12 -2.14 -1.13 0.00 0.00 175.30 171.99 3cda s PRO 444 N -5.13 0.73 0.36 3.89 0.02 -1.26 -4.84 135.00 128.77 3cda s PRO 444 Ca 0.61 1.41 0.04 0.00 0.02 0.00 0.00 61.00 63.08 3cda s PRO 444 Cb -0.15 -1.70 0.68 0.00 0.02 0.00 0.00 34.50 33.35 3cda s PRO 444 CO 0.55 -2.78 2.01 -0.91 -0.33 0.00 0.00 177.00 175.53 3cda h ASN 445 N -1.97 0.64 0.03 2.53 4.21 -1.98 -3.07 115.58 115.96 3cda h ASN 445 Ca -0.46 -0.03 0.02 0.00 1.21 0.00 0.00 56.30 57.04 3cda h ASN 445 Cb 1.28 -0.16 -0.04 0.00 -1.12 0.00 0.00 38.32 38.28 3cda h ASN 445 CO 0.43 0.49 -0.21 -0.33 -1.29 0.00 0.00 177.43 176.52 3cda h GLU 446 N 0.74 -0.34 -0.29 0.81 5.08 -2.01 -2.32 114.58 116.26 3cda h GLU 446 Ca 0.20 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3cda h GLU 446 Cb -0.04 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3cda h GLU 446 CO -0.04 -0.23 -0.11 0.93 -1.00 0.00 0.00 179.01 178.57 3cda h GLU 447 N -0.35 0.48 0.00 2.33 5.08 -1.91 -2.79 114.58 117.41 3cda h GLU 447 Ca 0.05 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 3cda h GLU 447 Cb 0.42 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3cda h GLU 447 CO -0.17 0.59 -0.36 0.00 -1.00 0.00 0.00 179.01 178.07 3cda h LEU 449 N 0.00 0.52 -0.58 0.00 3.38 -1.15 -2.75 115.31 114.73 3cda h LEU 449 Ca -0.00 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 3cda h LEU 449 Cb 0.67 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3cda h LEU 449 CO 0.05 1.21 0.21 1.56 0.09 0.00 0.00 178.44 181.56 3cda h GLN 450 N 0.23 0.88 -0.10 1.13 4.20 -1.44 -2.03 115.11 117.97 3cda h GLN 450 Ca -0.08 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.37 3cda h GLN 450 Cb 1.57 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.20 3cda h GLN 450 CO 0.16 0.77 -0.37 0.82 -0.67 0.00 0.00 178.83 179.54 3cda h ILE 451 N 0.80 1.29 -0.13 2.54 2.04 -1.60 -2.47 117.51 119.98 3cda h ILE 451 Ca 0.19 -1.41 -0.13 0.00 1.00 0.00 0.00 64.86 64.51 3cda h ILE 451 Cb 0.23 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 3cda h ILE 451 CO -0.01 0.42 -0.48 0.25 0.00 0.00 0.00 178.15 178.33 3cda h LEU 452 N 0.19 0.37 -1.13 1.44 5.85 -1.19 -2.63 115.31 118.20 3cda h LEU 452 Ca 0.02 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3cda h LEU 452 Cb 0.74 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.67 3cda h LEU 452 CO 0.06 0.79 -0.00 0.61 -0.34 0.00 0.00 178.44 179.56 3cda n GLY 453 N 0.02 0.17 3.75 3.75 0.00 -0.79 -4.52 105.19 107.58 3cda n GLY 453 Ca -0.02 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.00 7.27 0.09 1.61 3.84 -0.95 -5.01 114.94 119.79 3cda s ASN 454 Ca 0.36 1.52 -0.15 0.00 0.21 0.00 0.00 52.86 54.79 3cda s ASN 454 Cb 0.21 -2.48 -0.10 0.00 -0.55 0.00 0.00 41.25 38.33 3cda s ASN 454 CO 0.33 0.05 1.40 0.00 -2.79 0.00 0.00 177.10 176.09 3cda h ALA 455 N 5.35 0.39 -0.22 1.71 0.00 -1.89 -2.60 119.26 122.00 3cda h ALA 455 Ca -0.45 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.06 3cda h ALA 455 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3cda h ALA 455 CO 0.70 0.41 0.00 -0.85 0.00 0.00 0.00 179.25 179.51 3cda n GLU 456 N -4.28 1.83 0.00 0.00 0.28 -1.26 -4.44 120.64 112.77 3cda n GLU 456 Ca -0.04 -0.94 0.00 0.00 -0.16 0.00 0.00 57.16 56.02 3cda n GLU 456 Cb 0.48 -1.40 0.00 0.00 1.43 0.00 0.00 31.44 31.95 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 0.21 0.00 0.00 3.44 5.02 -1.21 -5.09 118.16 120.53 3cda n LYS 457 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3cda n LYS 457 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 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 2.84 0.03 0.18 0.72 0.00 -0.98 -3.74 105.19 104.24 3cda n GLY 458 Ca 0.00 -0.97 0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.28 1.00 -0.06 4.61 0.00 -1.83 -3.30 119.26 119.40 3cda h ALA 459 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3cda h ALA 459 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3cda h ALA 459 CO 0.00 0.00 0.07 -0.22 0.00 0.00 0.00 179.25 179.10 3cda h LYS 460 N 0.00 0.00 -0.58 0.00 3.64 -1.88 -2.61 116.57 115.15 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 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3cda h LYS 460 CO 0.00 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.37 3cda n PHE 461 N -3.80 0.93 -4.46 1.91 3.01 -1.24 -4.92 117.46 108.89 3cda n PHE 461 Ca -0.02 -0.39 -0.24 0.00 1.01 0.00 0.00 57.45 57.81 3cda n PHE 461 Cb 0.16 -0.12 -0.10 0.00 -0.01 0.00 0.00 39.48 39.41 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 -1.29 2.65 0.76 4.37 1.43 -0.98 -5.11 118.68 120.51 3cda s LEU 462 Ca 0.35 -1.01 -0.09 0.00 -1.03 0.00 0.00 54.13 52.35 3cda s LEU 462 Cb 0.21 -1.14 0.08 0.00 0.03 0.00 0.00 46.19 45.37 3cda s LEU 462 CO 0.19 0.02 1.09 -0.55 0.23 0.00 0.00 176.35 177.33 3cda s SER 463 N -3.53 4.61 0.07 2.29 0.15 -1.26 -4.96 113.70 111.07 3cda s SER 463 Ca 0.30 0.56 -0.21 0.00 0.70 0.00 0.00 55.95 57.31 3cda s SER 463 Cb -0.05 -1.12 -0.11 0.00 -1.71 0.00 0.00 66.02 63.03 3cda s SER 463 CO 0.16 -1.77 1.56 0.44 1.20 0.00 0.00 173.24 174.82 3cda h ASP 464 N -0.82 0.24 -0.96 5.45 5.19 -2.00 -2.82 116.42 120.70 3cda h ASP 464 Ca -0.45 -0.23 0.19 0.00 -0.62 0.00 0.00 57.03 55.92 3cda h ASP 464 Cb 1.32 -0.06 -0.09 0.00 0.18 0.00 0.00 39.33 40.68 3cda h ASP 464 CO 0.61 0.42 0.61 0.00 -3.12 0.00 0.00 179.24 177.76 3cda h ALA 465 N 0.84 1.93 0.04 3.45 0.00 -1.99 -2.01 119.26 121.51 3cda h ALA 465 Ca 0.05 0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.75 3cda h ALA 465 Cb 0.27 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3cda h ALA 465 CO 0.00 -0.25 -1.06 0.93 0.00 0.00 0.00 179.25 178.87 3cda h GLU 466 N 0.61 0.48 -0.12 0.00 5.08 -1.91 -1.95 114.58 116.77 3cda h GLU 466 Ca 0.53 -0.57 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3cda h GLU 466 Cb 1.02 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 3cda h GLU 466 CO -0.28 1.21 0.02 0.82 -1.00 0.00 0.00 179.01 179.78 3cda h ILE 467 N 0.24 1.22 -0.43 3.13 1.08 -1.22 -2.54 117.51 118.98 3cda h ILE 467 Ca -0.12 -0.68 0.06 0.00 -0.39 0.00 0.00 64.86 63.74 3cda h ILE 467 Cb 1.72 1.45 -0.02 0.00 -3.07 0.00 0.00 36.82 36.89 3cda h ILE 467 CO 0.19 0.20 0.29 0.40 -0.69 0.00 0.00 178.15 178.54 3cda h ILE 468 N -0.03 0.95 -0.30 -0.67 2.04 -1.41 -2.05 117.51 116.04 3cda h ILE 468 Ca 0.04 -0.11 -0.12 0.00 1.00 0.00 0.00 64.86 65.66 3cda h ILE 468 Cb 0.29 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3cda h ILE 468 CO 0.00 0.06 -0.29 -0.61 0.00 0.00 0.00 178.15 177.31 3cda h GLN 469 N 0.32 0.73 -0.70 2.37 4.15 -1.15 -1.52 115.11 119.31 3cda h GLN 469 Ca 0.19 -0.38 -0.03 0.00 0.77 0.00 0.00 58.65 59.19 3cda h GLN 469 Cb 0.34 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 3cda h GLN 469 CO -0.04 1.00 0.31 -0.07 -1.93 0.00 0.00 178.83 178.10 3cda h LEU 470 N 0.49 0.94 -0.17 -2.39 4.07 -1.01 -3.08 115.31 114.17 3cda h LEU 470 Ca 0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 57.88 57.84 3cda h LEU 470 Cb 0.86 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.35 3cda h LEU 470 CO 0.07 0.83 0.05 0.58 -1.08 0.00 0.00 178.44 178.89 3cda h VAL 471 N 0.99 1.20 -0.88 1.22 2.07 -1.35 -3.19 116.25 116.30 3cda h VAL 471 Ca 0.24 -0.61 -0.51 0.00 0.82 0.00 0.00 66.70 66.63 3cda h VAL 471 Cb 0.16 1.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.15 3cda h VAL 471 CO -0.02 0.19 1.43 0.20 0.02 0.00 0.00 177.57 179.38 3cda s ASN 472 N -5.65 6.08 0.00 0.57 0.01 -0.58 -2.40 114.94 112.97 3cda s ASN 472 Ca -0.14 -1.53 0.00 0.00 -0.71 0.00 0.00 52.86 50.48 3cda s ASN 472 Cb 0.07 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.15 3cda s ASN 472 CO 0.71 -1.92 0.00 0.00 -1.51 0.00 0.00 177.10 174.38 3cda n ALA 473 N 10.64 0.00 -0.60 0.60 0.00 -1.26 -4.82 120.51 125.07 3cda n ALA 473 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3cda n ALA 473 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 0.00 0.00 0.00 5.02 -1.01 -4.86 118.16 117.31 3cda n LYS 474 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3cda n LYS 474 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3cda n LYS 474 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3cda n HIS 475 N -0.17 0.00 -4.07 2.13 8.25 -1.26 -4.24 115.22 115.86 3cda n HIS 475 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 3cda n HIS 475 Cb 0.00 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 30.95 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 0.00 1.85 0.07 1.59 1.01 -1.26 -5.07 121.20 119.39 3cda s ILE 476 Ca 0.00 -0.90 -0.18 0.00 0.00 0.00 0.00 60.65 59.57 3cda s ILE 476 Cb 0.00 -1.74 -0.11 0.00 0.01 0.00 0.00 42.46 40.61 3cda s ILE 476 CO 0.00 0.42 1.40 1.55 0.00 0.00 0.00 174.94 178.31 3cda h PRO 477 N 7.97 0.49 0.00 2.79 0.13 -1.90 -3.36 132.00 138.12 3cda h PRO 477 Ca -0.39 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 3cda h PRO 477 Cb 1.13 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3cda h PRO 477 CO 0.57 0.80 0.00 0.00 -0.23 0.00 0.00 178.00 179.14 3cda n ALA 478 N -2.43 0.00 0.26 -0.56 0.00 -1.26 -4.95 120.51 111.57 3cda n ALA 478 Ca -0.05 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.54 3cda n ALA 478 Cb 0.38 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.46 3cda n ALA 478 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 3cda h TYR 479 N 0.00 0.00 0.00 0.00 -0.00 -2.04 -2.55 116.97 112.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 3cda h TYR 479 CO 0.00 0.07 0.00 1.63 -0.00 0.00 0.00 178.16 179.86 3cda n LYS 480 N -3.22 0.12 -0.17 0.10 5.02 -1.26 -3.78 118.16 114.97 3cda n LYS 480 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 3cda n LYS 480 Cb 0.33 -1.50 0.47 0.00 -0.02 0.00 0.00 35.03 34.32 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 0.00 0.45 -0.33 -0.35 3.38 -1.87 -2.19 115.31 114.41 3cda h LEU 481 Ca 0.00 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3cda h LEU 481 Cb 0.44 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3cda h LEU 481 CO 0.00 0.24 0.06 -0.08 0.09 0.00 0.00 178.44 178.75 3cda h GLU 482 N 0.48 0.54 -3.12 1.13 4.57 -1.80 -2.28 114.58 114.10 3cda h GLU 482 Ca 0.37 -0.14 -0.79 0.00 -1.18 0.00 0.00 59.36 57.61 3cda h GLU 482 Cb 0.75 -0.06 -0.24 0.00 -0.16 0.00 0.00 28.75 29.04 3cda h GLU 482 CO -0.13 0.62 1.15 -2.37 -1.18 0.00 0.00 179.01 177.10 3cda n THR 483 N -4.61 5.03 0.00 0.32 5.66 -0.82 -4.12 114.28 115.74 3cda n THR 483 Ca -0.02 -5.46 0.00 0.00 -3.05 0.00 0.00 64.05 55.52 3cda n THR 483 Cb 0.21 -2.17 0.00 0.00 -1.55 0.00 0.00 70.33 66.82 3cda n THR 483 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3cda n LEU 484 N 2.14 0.00 -4.75 1.09 4.77 -1.23 -4.95 117.00 114.07 3cda n LEU 484 Ca 0.30 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.88 3cda n LEU 484 Cb 0.34 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.38 3cda n LEU 484 CO 0.75 0.00 0.63 -0.63 -1.33 0.00 0.00 177.39 176.80 3cda s ILE 485 N 0.00 4.22 0.20 -0.08 1.09 -0.86 -4.01 121.20 121.75 3cda s ILE 485 Ca 0.00 2.02 -0.18 0.00 -1.10 0.00 0.00 60.65 61.39 3cda s ILE 485 Cb 0.00 -4.30 0.16 0.00 -1.06 0.00 0.00 42.46 37.27 3cda s ILE 485 CO 0.00 0.46 1.42 -1.84 -0.10 0.00 0.00 174.94 174.88 3cda n GLU 486 N 1.81 -0.25 -4.39 2.79 0.28 -1.26 -4.69 120.64 114.93 3cda n GLU 486 Ca -0.02 1.40 -0.20 0.00 -0.16 0.00 0.00 57.16 58.18 3cda n GLU 486 Cb 0.48 -2.08 -0.10 0.00 1.43 0.00 0.00 31.44 31.17 3cda n GLU 486 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3cda s THR 487 N -5.78 1.80 0.13 3.84 -4.23 -1.26 -5.06 115.64 105.08 3cda s THR 487 Ca -0.12 -2.20 -0.15 0.00 -1.18 0.00 0.00 61.69 58.03 3cda s THR 487 Cb 0.17 -2.23 -0.00 0.00 1.34 0.00 0.00 72.50 71.78 3cda s THR 487 CO 0.64 -0.46 1.66 0.45 -0.54 0.00 0.00 174.62 176.36 3cda h HIS 488 N 2.42 0.67 -0.56 3.99 3.86 -1.93 -2.98 115.15 120.61 3cda h HIS 488 Ca -0.39 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 58.69 3cda h HIS 488 Cb 1.23 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 29.48 3cda h HIS 488 CO 0.72 0.61 0.10 1.49 0.86 0.00 0.00 177.93 181.70 3cda h GLU 489 N 0.53 0.89 -0.14 2.45 4.81 -1.96 -1.78 114.58 119.37 3cda h GLU 489 Ca 0.14 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 59.04 3cda h GLU 489 Cb 0.25 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3cda h GLU 489 CO -0.01 0.82 -0.41 -0.09 -0.73 0.00 0.00 179.01 178.59 3cda h ARG 490 N 0.84 0.33 -0.75 1.92 2.43 -1.98 0.98 114.38 118.16 3cda h ARG 490 Ca 0.18 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3cda h ARG 490 Cb 0.36 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 3cda h ARG 490 CO 0.01 0.69 0.43 0.78 -1.51 0.00 0.00 179.97 180.36 3cda h GLY 491 N 1.19 1.10 0.88 2.80 0.00 -1.25 -0.35 103.07 107.44 3cda h GLY 491 Ca 0.02 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 3cda h GLY 491 CO 0.07 0.46 -0.09 -2.08 0.00 0.00 0.00 176.54 174.91 3cda h VAL 492 N 1.03 1.29 -0.53 4.60 2.07 -1.03 -1.58 116.25 122.10 3cda h VAL 492 Ca 0.27 -1.13 0.07 0.00 0.82 0.00 0.00 66.70 66.72 3cda h VAL 492 Cb 0.00 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 3cda h VAL 492 CO -0.05 0.36 0.21 -1.28 0.02 0.00 0.00 177.57 176.83 3cda h SER 493 N 0.31 0.24 -0.43 0.57 0.87 -0.62 -1.29 113.55 113.19 3cda h SER 493 Ca 0.07 0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.59 3cda h SER 493 Cb 0.57 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 3cda h SER 493 CO 0.03 0.16 -0.10 0.40 -0.53 0.00 0.00 176.83 176.79 3cda h ILE 494 N 0.40 1.27 -0.92 2.23 1.08 -0.97 -2.29 117.51 118.32 3cda h ILE 494 Ca 0.25 -1.21 0.03 0.00 -0.39 0.00 0.00 64.86 63.55 3cda h ILE 494 Cb 0.26 1.16 -0.05 0.00 -3.07 0.00 0.00 36.82 35.12 3cda h ILE 494 CO -0.24 0.41 0.60 0.03 -0.69 0.00 0.00 178.15 178.27 3cda h ARG 495 N 0.66 1.12 -0.38 2.37 3.08 -0.96 -1.31 114.38 118.96 3cda h ARG 495 Ca 0.11 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3cda h ARG 495 Cb 0.64 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3cda h ARG 495 CO 0.04 0.74 0.10 0.00 -1.07 0.00 0.00 179.97 179.79 3cda h ARG 496 N 1.16 0.60 -0.80 0.04 3.08 -0.94 -1.37 114.38 116.14 3cda h ARG 496 Ca 0.36 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 3cda h ARG 496 Cb 0.01 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 3cda h ARG 496 CO -0.11 0.62 0.43 1.96 -1.07 0.00 0.00 179.97 181.81 3cda h GLN 497 N 0.46 1.12 -0.01 0.04 4.20 -0.96 0.12 115.11 120.08 3cda h GLN 497 Ca 0.12 -0.14 0.02 0.00 0.06 0.00 0.00 58.65 58.71 3cda h GLN 497 Cb 0.29 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3cda h GLN 497 CO -0.00 0.83 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.82 3cda h LEU 498 N 1.11 -0.30 -0.75 1.46 4.07 -1.14 -3.12 115.31 116.64 3cda h LEU 498 Ca 0.28 0.05 -0.07 0.00 0.08 0.00 0.00 57.88 58.22 3cda h LEU 498 Cb 0.04 0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 3cda h LEU 498 CO -0.04 -0.15 0.13 0.25 -1.08 0.00 0.00 178.44 177.55 3cda h LEU 499 N -0.17 1.03 -1.42 1.67 5.85 -0.75 -3.10 115.31 118.42 3cda h LEU 499 Ca 0.04 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 3cda h LEU 499 Cb 0.23 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3cda h LEU 499 CO -0.11 1.01 0.09 0.28 -0.34 0.00 0.00 178.44 179.36 3cda h SER 500 N 1.02 0.43 0.75 1.25 0.02 -0.73 -1.53 113.55 114.77 3cda h SER 500 Ca 0.21 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.03 3cda h SER 500 Cb 0.40 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3cda h SER 500 CO 0.01 0.43 -0.35 0.11 -1.14 0.00 0.00 176.83 175.89 3cda h LYS 501 N 0.47 0.00 0.00 3.45 1.57 -1.48 -3.00 116.57 117.58 3cda h LYS 501 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3cda h LYS 501 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3cda h LYS 501 CO -0.00 0.35 0.00 0.87 -0.57 0.00 0.00 179.45 180.10 3cda h LYS 502 N 0.00 0.00 -6.90 3.15 1.57 -1.31 -3.47 116.57 109.61 3cda h LYS 502 Ca -0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.28 3cda h LYS 502 Cb 0.82 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.16 3cda h LYS 502 CO 0.05 0.00 0.12 -0.51 -0.57 0.00 0.00 179.45 178.53 3cda s LEU 503 N -4.98 3.71 0.05 2.94 1.43 -1.12 -5.01 118.68 115.69 3cda s LEU 503 Ca 0.09 1.03 -0.19 0.00 -1.03 0.00 0.00 54.13 54.03 3cda s LEU 503 Cb 0.10 -3.95 -0.13 0.00 0.03 0.00 0.00 46.19 42.24 3cda s LEU 503 CO 0.60 -0.50 1.36 -1.28 0.23 0.00 0.00 176.35 176.76 3cda h SER 504 N 0.68 0.46 -3.39 2.29 0.87 -1.91 -3.37 113.55 109.18 3cda h SER 504 Ca -0.47 -0.48 -0.72 0.00 -1.23 0.00 0.00 61.79 58.89 3cda h SER 504 Cb 1.20 -0.13 -0.28 0.00 -0.44 0.00 0.00 62.40 62.75 3cda h SER 504 CO 0.63 0.85 -0.43 -0.70 -0.53 0.00 0.00 176.83 176.64 3cda s GLU 505 N -4.31 2.60 0.50 2.24 2.56 -1.26 -4.99 118.70 116.03 3cda s GLU 505 Ca -0.14 -1.54 0.25 0.00 0.00 0.00 0.00 54.97 53.54 3cda s GLU 505 Cb 0.06 -3.85 1.34 0.00 2.00 0.00 0.00 34.13 33.68 3cda s GLU 505 CO 0.77 -1.03 1.92 -1.35 -0.56 0.00 0.00 175.26 175.01 3cda h PRO 506 N 8.45 0.11 -0.69 4.30 0.11 -1.75 -2.25 132.00 140.28 3cda h PRO 506 Ca -0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3cda h PRO 506 Cb 1.08 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3cda h PRO 506 CO 0.80 0.07 0.00 -1.13 -0.21 0.00 0.00 178.00 177.53 3cda n SER 507 N -4.37 2.28 -0.34 -2.05 3.41 -1.26 -4.41 113.62 106.88 3cda n SER 507 Ca 0.15 -2.23 0.01 0.00 -0.26 0.00 0.00 58.87 56.54 3cda n SER 507 Cb 0.75 -0.45 0.17 0.00 -0.26 0.00 0.00 64.21 64.42 3cda n SER 507 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3cda h SER 508 N 1.41 1.04 0.19 4.04 0.02 -1.79 -2.31 113.55 116.15 3cda h SER 508 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3cda h SER 508 Cb 0.82 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3cda h SER 508 CO 0.12 0.71 0.00 0.18 -1.14 0.00 0.00 176.83 176.70 3cda n LEU 509 N -4.44 0.00 -0.28 5.07 4.32 -1.26 -4.35 117.00 116.06 3cda n LEU 509 Ca 0.13 0.10 0.09 0.00 -0.02 0.00 0.00 56.01 56.30 3cda n LEU 509 Cb 0.10 -0.10 0.21 0.00 -1.62 0.00 0.00 43.42 42.02 3cda n LEU 509 CO 0.35 -0.00 0.87 -0.61 -1.22 0.00 0.00 177.39 176.77 3cda h GLN 510 N 0.00 0.14 -0.47 3.23 4.15 -1.75 -1.64 115.11 118.77 3cda h GLN 510 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3cda h GLN 510 Cb 0.09 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.75 3cda h GLN 510 CO 0.00 0.09 0.00 0.66 -1.93 0.00 0.00 178.83 177.65 3cda n TYR 511 N -5.31 0.62 -2.83 3.99 4.02 -1.26 -4.78 117.16 111.61 3cda n TYR 511 Ca 0.17 -0.36 -0.43 0.00 -0.01 0.00 0.00 57.90 57.27 3cda n TYR 511 Cb 0.57 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.84 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 -1.20 4.03 0.60 7.72 0.20 -0.62 -5.04 118.68 124.38 3cda s LEU 512 Ca 0.38 0.06 -0.16 0.00 0.69 0.00 0.00 54.13 55.10 3cda s LEU 512 Cb 0.21 -3.15 -0.03 0.00 -0.43 0.00 0.00 46.19 42.79 3cda s LEU 512 CO 0.28 -1.06 1.07 -2.16 -0.29 0.00 0.00 176.35 174.19 3cda s PRO 513 N 3.75 3.23 0.00 0.98 0.04 -1.26 -4.91 135.00 136.84 3cda s PRO 513 Ca 0.36 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.65 3cda s PRO 513 Cb -0.10 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3cda s PRO 513 CO 0.26 -0.89 0.00 2.48 0.04 0.00 0.00 177.00 178.89 3cda n TYR 514 N -2.06 0.00 -2.10 0.56 0.18 -1.26 -2.28 117.16 110.20 3cda n TYR 514 Ca 0.09 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.47 3cda n TYR 514 Cb 0.53 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.47 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 -0.32 4.17 -0.50 -3.48 0.52 -1.26 -3.74 118.95 114.35 3cda s ARG 515 Ca 0.00 2.16 0.00 0.00 -0.52 0.00 0.00 55.73 57.37 3cda s ARG 515 Cb 0.00 -2.90 0.00 0.00 0.52 0.00 0.00 34.95 32.57 3cda s ARG 515 CO 0.00 -0.33 0.00 -0.25 0.02 0.00 0.00 175.30 174.74 3cda n ASP 516 N 0.45 -4.80 -4.81 0.23 8.00 -1.26 -4.98 116.55 109.39 3cda n ASP 516 Ca 0.02 0.12 -0.36 0.00 0.71 0.00 0.00 54.79 55.27 3cda n ASP 516 Cb 0.43 -2.71 -0.06 0.00 -0.02 0.00 0.00 41.12 38.76 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 -1.76 3.64 -1.17 1.24 5.04 -1.24 -4.98 117.35 118.12 3cda s TYR 517 Ca 0.00 1.49 -0.20 0.00 -2.44 0.00 0.00 57.07 55.93 3cda s TYR 517 Cb 0.00 -2.70 0.07 0.00 0.35 0.00 0.00 41.96 39.67 3cda s TYR 517 CO 0.00 0.28 1.58 1.21 -1.34 0.00 0.00 175.55 177.28 3cda s ASN 518 N -1.68 6.70 0.04 4.32 3.04 -1.26 -4.80 114.94 121.29 3cda s ASN 518 Ca 0.46 -2.03 0.22 0.00 0.04 0.00 0.00 52.86 51.55 3cda s ASN 518 Cb -0.17 -2.56 0.93 0.00 -1.54 0.00 0.00 41.25 37.91 3cda s ASN 518 CO 0.21 -1.29 1.71 -1.22 -3.04 0.00 0.00 177.10 173.47 3cda n TYR 519 N 8.43 0.13 -0.20 0.43 4.02 -1.26 -3.66 117.16 125.05 3cda n TYR 519 Ca 0.41 0.04 -0.05 0.00 -0.01 0.00 0.00 57.90 58.30 3cda n TYR 519 Cb 0.48 -0.57 0.13 0.00 -0.02 0.00 0.00 39.34 39.36 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 0.93 1.13 7.72 4.64 -1.96 -1.93 113.55 124.09 3cda h SER 520 Ca 0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3cda h SER 520 Cb 0.40 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3cda h SER 520 CO 0.00 0.88 0.00 0.18 -0.87 0.00 0.00 176.83 177.02 3cda n LEU 521 N -4.27 0.40 0.02 5.97 4.77 -1.24 -3.65 117.00 119.00 3cda n LEU 521 Ca 0.05 0.55 -0.21 0.00 -0.03 0.00 0.00 56.01 56.37 3cda n LEU 521 Cb 0.22 -0.43 -0.14 0.00 -2.33 0.00 0.00 43.42 40.74 3cda n LEU 521 CO 0.41 -0.15 -0.75 0.58 -1.33 0.00 0.00 177.39 176.15 3cda h VAL 522 N 0.00 0.69 -3.54 4.08 2.07 -1.57 -3.42 116.25 114.56 3cda h VAL 522 Ca 0.00 -2.39 -0.52 0.00 0.82 0.00 0.00 66.70 64.61 3cda h VAL 522 Cb 0.57 2.55 0.03 0.00 -1.52 0.00 0.00 31.29 32.92 3cda h VAL 522 CO 0.00 0.88 0.61 -0.04 0.02 0.00 0.00 177.57 179.04 3cda s MET 523 N -2.56 4.44 0.00 1.57 -1.94 -0.82 -1.15 119.30 118.84 3cda s MET 523 Ca -0.20 2.01 0.00 0.00 -1.71 0.00 0.00 55.69 55.79 3cda s MET 523 Cb 0.06 -3.18 0.00 0.00 2.01 0.00 0.00 34.83 33.72 3cda s MET 523 CO 0.79 -0.15 0.00 0.41 -0.01 0.00 0.00 175.02 176.06 3cda n GLY 524 N 1.92 2.40 0.74 -0.03 0.00 -1.26 -4.69 105.19 104.27 3cda n GLY 524 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 3cda n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cda n ALA 525 N 0.20 2.40 -0.04 4.61 0.00 -1.08 -4.93 120.51 121.66 3cda n ALA 525 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 53.44 53.11 3cda n ALA 525 Cb 0.00 0.31 -0.09 0.00 0.00 0.00 0.00 19.45 19.67 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 0.08 1.44 -1.35 0.00 2.56 -1.26 -4.29 118.70 115.88 3cda s GLU 528 Ca 0.00 -1.65 -0.06 0.00 0.00 0.00 0.00 54.97 53.26 3cda s GLU 528 Cb -0.04 -1.32 0.02 0.00 2.00 0.00 0.00 34.13 34.79 3cda s GLU 528 CO -0.01 0.22 1.00 -1.71 -0.56 0.00 0.00 175.26 174.21 3cda n ASN 529 N -0.46 -3.90 -4.72 -1.70 5.15 -1.26 -4.94 115.26 103.43 3cda n ASN 529 Ca -0.07 -0.67 -0.42 0.00 -0.60 0.00 0.00 54.58 52.82 3cda n ASN 529 Cb 0.60 -4.62 -0.03 0.00 -0.53 0.00 0.00 39.78 35.20 3cda n ASN 529 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3cda s VAL 530 N -3.40 3.76 -0.02 3.44 1.01 -1.26 -4.91 120.40 119.02 3cda s VAL 530 Ca 0.34 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.60 3cda s VAL 530 Cb -0.16 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.41 3cda s VAL 530 CO 0.77 0.11 0.59 2.30 0.00 0.00 0.00 175.10 178.87 3cda n ILE 531 N 3.82 0.18 -1.46 2.22 -5.35 -1.26 -4.60 119.36 112.90 3cda n ILE 531 Ca 0.09 -0.59 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 3cda n ILE 531 Cb 0.45 0.92 0.00 0.00 -1.74 0.00 0.00 39.64 39.26 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 -0.08 -0.49 3.12 3.28 0.00 -1.26 -4.78 105.19 104.98 3cda n GLY 532 Ca 0.00 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.63 0.28 -0.30 1.61 -0.85 -0.96 -4.99 117.35 108.51 3cda s TYR 533 Ca 0.00 -0.68 -0.02 0.00 -0.52 0.00 0.00 57.07 55.85 3cda s TYR 533 Cb 0.00 -0.20 0.05 0.00 0.38 0.00 0.00 41.96 42.19 3cda s TYR 533 CO 0.00 -0.40 -0.01 1.41 -1.52 0.00 0.00 175.55 175.04 3cda s MET 534 N -3.19 2.43 -0.05 -3.49 -2.45 -1.26 -4.20 119.30 107.09 3cda s MET 534 Ca 0.00 -1.26 -0.30 0.00 -1.25 0.00 0.00 55.69 52.88 3cda s MET 534 Cb 0.02 -3.17 -0.04 0.00 1.25 0.00 0.00 34.83 32.89 3cda s MET 534 CO -0.07 -0.61 1.35 -2.14 1.05 0.00 0.00 175.02 174.60 3cda s PRO 535 N 1.25 4.28 -0.23 4.11 0.02 -1.26 -5.02 135.00 138.16 3cda s PRO 535 Ca -0.05 1.86 -0.05 0.00 0.02 0.00 0.00 61.00 62.78 3cda s PRO 535 Cb -0.20 -3.64 -0.01 0.00 0.02 0.00 0.00 34.50 30.67 3cda s PRO 535 CO -0.01 -0.59 -0.02 0.42 -0.33 0.00 0.00 177.00 176.47 3cda s ILE 536 N 2.68 3.56 0.36 2.83 -1.09 -1.26 -5.09 121.20 123.19 3cda s ILE 536 Ca 0.61 -0.43 -0.28 0.00 -2.23 0.00 0.00 60.65 58.31 3cda s ILE 536 Cb -0.28 -2.63 -0.11 0.00 -1.58 0.00 0.00 42.46 37.85 3cda s ILE 536 CO 0.24 0.40 1.45 -2.65 -1.23 0.00 0.00 174.94 173.15 3cda n PRO 537 N 4.82 2.54 -3.96 2.79 -0.02 -1.26 -4.75 135.00 135.16 3cda n PRO 537 Ca -0.18 0.89 -0.34 0.00 -2.02 0.00 0.00 63.50 61.85 3cda n PRO 537 Cb 0.51 -2.59 -0.14 0.00 -0.02 0.00 0.00 33.50 31.25 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 -0.97 2.95 0.40 -1.45 1.01 -1.26 -1.92 120.40 119.17 3cda s VAL 538 Ca 0.55 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.84 3cda s VAL 538 Cb -0.50 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 3cda s VAL 538 CO 0.62 0.36 0.39 -0.83 0.00 0.00 0.00 175.10 175.64 3cda s GLY 539 N 1.39 2.05 -0.09 4.51 0.00 -0.57 -4.92 107.32 109.70 3cda s GLY 539 Ca 0.04 -1.82 0.04 0.00 0.00 0.00 0.00 44.72 42.98 3cda s GLY 539 CO -0.06 -1.65 -0.22 0.54 0.00 0.00 0.00 173.10 171.72 3cda s VAL 540 N -2.43 1.85 -0.21 1.40 0.11 -1.26 -1.18 120.40 118.69 3cda s VAL 540 Ca 0.48 -0.91 -0.03 0.00 -2.93 0.00 0.00 61.98 58.59 3cda s VAL 540 Cb -0.05 -1.61 -0.01 0.00 -1.53 0.00 0.00 36.38 33.19 3cda s VAL 540 CO 0.28 0.51 -0.06 0.00 -3.33 0.00 0.00 175.10 172.51 3cda s ALA 541 N 0.35 2.78 0.00 1.54 0.00 -0.48 -4.93 121.76 121.01 3cda s ALA 541 Ca -0.16 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.65 3cda s ALA 541 Cb -0.17 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.32 3cda s ALA 541 CO 0.07 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.88 3cda n GLY 542 N 4.67 -2.16 3.77 0.00 0.00 -1.26 -1.34 105.19 108.86 3cda n GLY 542 Ca -0.18 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.86 3.81 -0.41 1.61 0.04 -1.26 -4.94 135.00 132.00 3cda s PRO 543 Ca 0.00 2.00 -0.15 0.00 0.04 0.00 0.00 61.00 62.89 3cda s PRO 543 Cb 0.00 -2.58 0.02 0.00 0.04 0.00 0.00 34.50 31.98 3cda s PRO 543 CO 0.00 -0.57 0.31 -1.17 0.04 0.00 0.00 177.00 175.61 3cda s LEU 544 N -2.75 5.10 -0.64 -3.56 2.96 0.43 -4.55 118.68 115.67 3cda s LEU 544 Ca 0.61 -0.89 -0.26 0.00 -0.22 0.00 0.00 54.13 53.37 3cda s LEU 544 Cb -0.34 -2.18 0.04 0.00 0.50 0.00 0.00 46.19 44.21 3cda s LEU 544 CO 0.43 -0.47 1.14 0.00 -1.32 0.00 0.00 176.35 176.13 3cda s LEU 546 N 4.88 0.82 -1.32 0.00 2.96 -0.69 -0.52 118.68 124.81 3cda s LEU 546 Ca 0.35 -0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 54.08 3cda s LEU 546 Cb -0.10 -0.55 -0.00 0.00 0.50 0.00 0.00 46.19 46.04 3cda s LEU 546 CO 0.18 -0.16 0.60 0.47 -1.32 0.00 0.00 176.35 176.12 3cda n ASP 547 N 4.98 -1.45 -0.03 3.68 8.00 -0.27 -2.13 116.55 129.33 3cda n ASP 547 Ca -0.10 -0.92 -0.00 0.00 0.71 0.00 0.00 54.79 54.47 3cda n ASP 547 Cb 0.50 -3.57 -0.00 0.00 -0.02 0.00 0.00 41.12 38.03 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 -4.29 -1.46 -4.34 -1.24 1.02 -1.26 -4.96 120.64 104.10 3cda n GLU 548 Ca -0.27 0.39 -0.28 0.00 -0.02 0.00 0.00 57.16 56.97 3cda n GLU 548 Cb 0.67 -4.49 -0.07 0.00 -0.02 0.00 0.00 31.44 27.53 3cda n GLU 548 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3cda s LYS 549 N -1.52 2.18 -0.01 3.49 1.02 -0.90 -5.15 119.74 118.83 3cda s LYS 549 Ca 0.00 -2.08 0.06 0.00 0.02 0.00 0.00 55.97 53.97 3cda s LYS 549 Cb 0.00 -1.82 -0.02 0.00 -0.52 0.00 0.00 37.83 35.47 3cda s LYS 549 CO 0.00 -0.27 -0.20 -1.21 -0.92 0.00 0.00 175.35 172.75 3cda s GLU 550 N -3.94 1.64 -0.03 1.68 2.02 -1.26 -1.71 118.70 117.10 3cda s GLU 550 Ca 0.29 -0.74 0.03 0.00 0.02 0.00 0.00 54.97 54.57 3cda s GLU 550 Cb 0.03 -1.59 0.00 0.00 0.10 0.00 0.00 34.13 32.67 3cda s GLU 550 CO 0.16 0.44 -0.10 -0.06 0.02 0.00 0.00 175.26 175.72 3cda s PHE 551 N -0.49 1.07 -0.46 1.61 0.40 -0.65 -4.90 117.98 114.55 3cda s PHE 551 Ca 0.08 -0.29 -0.14 0.00 -0.60 0.00 0.00 56.93 55.98 3cda s PHE 551 Cb -0.08 -0.76 0.07 0.00 0.51 0.00 0.00 43.02 42.76 3cda s PHE 551 CO -0.01 -0.13 0.37 -0.65 0.70 0.00 0.00 175.22 175.51 3cda s GLN 552 N 0.25 2.90 -0.30 0.44 -1.52 -1.26 -0.43 119.66 119.74 3cda s GLN 552 Ca -0.05 -1.38 -0.17 0.00 -1.95 0.00 0.00 55.36 51.82 3cda s GLN 552 Cb -0.10 -4.06 -0.02 0.00 -0.22 0.00 0.00 33.01 28.61 3cda s GLN 552 CO 0.01 -1.01 0.49 0.08 -0.25 0.00 0.00 175.29 174.60 3cda s VAL 553 N 1.60 5.06 0.20 1.09 1.01 -0.45 -4.59 120.40 124.32 3cda s VAL 553 Ca 0.04 0.60 -0.30 0.00 0.00 0.00 0.00 61.98 62.32 3cda s VAL 553 Cb -0.24 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 3cda s VAL 553 CO 0.06 -0.03 0.97 -2.16 0.00 0.00 0.00 175.10 173.94 3cda s PRO 554 N 2.31 4.77 -0.13 2.72 0.04 -1.26 -1.39 135.00 142.06 3cda s PRO 554 Ca 0.19 1.52 -0.03 0.00 0.04 0.00 0.00 61.00 62.73 3cda s PRO 554 Cb -0.16 -3.30 0.05 0.00 0.04 0.00 0.00 34.50 31.13 3cda s PRO 554 CO 0.11 0.37 0.03 -1.64 0.04 0.00 0.00 177.00 175.91 3cda s MET 555 N -0.80 0.49 -0.44 4.56 -1.94 -0.32 -4.24 119.30 116.60 3cda s MET 555 Ca 0.44 -0.10 -0.19 0.00 -1.71 0.00 0.00 55.69 54.12 3cda s MET 555 Cb -0.26 -1.50 0.03 0.00 2.01 0.00 0.00 34.83 35.11 3cda s MET 555 CO 0.32 -0.49 0.55 0.00 -0.01 0.00 0.00 175.02 175.40 3cda s ALA 556 N 1.97 3.39 0.08 3.03 0.00 0.31 -1.51 121.76 129.03 3cda s ALA 556 Ca 0.02 -1.43 -0.17 0.00 0.00 0.00 0.00 51.96 50.38 3cda s ALA 556 Cb -0.15 -3.21 0.04 0.00 0.00 0.00 0.00 23.12 19.80 3cda s ALA 556 CO -0.07 -1.74 0.41 -0.08 0.00 0.00 0.00 175.76 174.28 3cda s THR 557 N 2.50 0.06 -0.27 0.00 -1.32 -0.81 -4.18 115.64 111.61 3cda s THR 557 Ca 0.17 -0.52 0.03 0.00 -1.21 0.00 0.00 61.69 60.15 3cda s THR 557 Cb -0.16 -1.06 0.06 0.00 -1.51 0.00 0.00 72.50 69.82 3cda s THR 557 CO 0.15 -0.29 0.90 0.35 -2.21 0.00 0.00 174.62 173.53 3cda n THR 558 N 0.13 0.66 -2.87 5.08 -2.24 -1.26 -4.23 114.28 109.55 3cda n THR 558 Ca -0.17 -0.83 -0.42 0.00 -2.27 0.00 0.00 64.05 60.36 3cda n THR 558 Cb 0.62 0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 69.50 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 -0.74 4.21 0.28 -0.78 2.12 -1.26 -5.01 118.70 117.52 3cda s GLU 559 Ca 0.05 0.98 -0.30 0.00 0.36 0.00 0.00 54.97 56.06 3cda s GLU 559 Cb 0.03 -3.63 -0.13 0.00 0.26 0.00 0.00 34.13 30.66 3cda s GLU 559 CO 0.04 -0.50 1.45 0.41 -0.54 0.00 0.00 175.26 176.12 3cda n GLY 560 N 3.68 0.93 2.69 -1.50 0.00 -1.26 -2.96 105.19 106.77 3cda n GLY 560 Ca 0.06 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.53 3cda n GLY 560 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cda h LEU 562 N 0.00 0.22 -0.41 0.00 5.85 -1.97 0.12 115.31 119.13 3cda h LEU 562 Ca 0.00 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 3cda h LEU 562 Cb 0.00 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3cda h LEU 562 CO 0.00 0.19 -0.10 0.58 -0.34 0.00 0.00 178.44 178.77 3cda h VAL 563 N 0.24 1.27 -0.36 1.05 2.07 -1.91 -0.92 116.25 117.69 3cda h VAL 563 Ca 0.07 -1.19 0.01 0.00 0.82 0.00 0.00 66.70 66.41 3cda h VAL 563 Cb 0.01 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3cda h VAL 563 CO -0.01 0.40 0.22 0.00 0.02 0.00 0.00 177.57 178.19 3cda h ALA 564 N 0.85 0.46 -0.39 1.67 0.00 -1.87 0.93 119.26 120.91 3cda h ALA 564 Ca 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3cda h ALA 564 Cb 0.62 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3cda h ALA 564 CO 0.04 -0.12 0.19 1.03 0.00 0.00 0.00 179.25 180.38 3cda h SER 565 N 0.44 0.51 -0.47 0.00 0.87 -0.68 -1.91 113.55 112.31 3cda h SER 565 Ca 0.14 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 3cda h SER 565 Cb -0.01 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 3cda h SER 565 CO -0.06 0.49 0.07 0.74 -0.53 0.00 0.00 176.83 177.54 3cda h THR 566 N 0.49 1.24 -0.69 2.23 2.02 -0.98 -2.38 112.91 114.83 3cda h THR 566 Ca 0.13 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 3cda h THR 566 Cb 0.12 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3cda h THR 566 CO -0.02 0.34 0.30 -1.13 0.37 0.00 0.00 175.52 175.38 3cda h ASN 567 N 0.81 0.91 -0.57 4.18 -0.73 -0.49 -1.51 115.58 118.17 3cda h ASN 567 Ca 0.17 -0.12 -0.10 0.00 1.87 0.00 0.00 56.30 58.12 3cda h ASN 567 Cb 0.38 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.72 3cda h ASN 567 CO 0.01 0.80 -0.05 -0.09 -0.37 0.00 0.00 177.43 177.73 3cda h ARG 568 N 0.99 1.04 -0.85 6.67 2.43 -0.93 -2.18 114.38 121.55 3cda h ARG 568 Ca 0.24 -0.36 0.05 0.00 -0.81 0.00 0.00 59.98 59.09 3cda h ARG 568 Cb 0.15 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.56 3cda h ARG 568 CO -0.02 1.05 0.54 0.78 -1.51 0.00 0.00 179.97 180.80 3cda h GLY 569 N 0.93 1.26 1.14 2.80 0.00 -1.00 -0.65 103.07 107.55 3cda h GLY 569 Ca 0.16 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3cda h GLY 569 CO 0.04 0.31 0.44 0.00 0.00 0.00 0.00 176.54 177.34 3cda h ARG 571 N 1.13 0.55 -0.92 0.00 9.65 -0.75 0.61 114.38 124.65 3cda h ARG 571 Ca 0.29 -0.22 0.01 0.00 -1.10 0.00 0.00 59.98 58.96 3cda h ARG 571 Cb 0.02 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.53 3cda h ARG 571 CO -0.05 0.76 0.61 0.00 2.80 0.00 0.00 179.97 184.09 3cda h ALA 572 N 0.77 1.18 -0.55 2.80 0.00 -1.02 -1.55 119.26 120.89 3cda h ALA 572 Ca 0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3cda h ALA 572 Cb 0.57 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3cda h ALA 572 CO 0.03 0.54 0.07 0.82 0.00 0.00 0.00 179.25 180.72 3cda h ILE 573 N 1.23 1.26 -0.75 0.00 2.04 -1.14 -2.85 117.51 117.30 3cda h ILE 573 Ca 0.34 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 3cda h ILE 573 Cb -0.11 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3cda h ILE 573 CO -0.08 0.36 0.34 1.23 0.00 0.00 0.00 178.15 179.99 3cda h GLY 574 N 0.80 1.17 2.00 5.37 0.00 -0.33 -0.46 103.07 111.62 3cda h GLY 574 Ca 0.16 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3cda h GLY 574 CO 0.01 0.57 0.00 1.41 0.00 0.00 0.00 176.54 178.54 3cda h LEU 575 N 1.06 0.00 -2.81 3.11 3.38 -1.31 -3.06 115.31 115.68 3cda h LEU 575 Ca 0.25 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 3cda h LEU 575 Cb 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3cda h LEU 575 CO -0.03 0.00 0.06 0.61 0.09 0.00 0.00 178.44 179.17 3cda n GLY 576 N 0.69 2.67 1.82 0.83 0.00 -0.95 -4.89 105.19 105.36 3cda n GLY 576 Ca 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3cda n GLY 576 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cda n GLY 577 N 0.28 0.84 0.00 -0.02 0.00 -1.16 -4.57 105.19 100.56 3cda n GLY 577 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.00 -0.71 3.94 -0.02 0.00 -0.22 -4.98 105.19 101.19 3cda n GLY 578 Ca 0.00 -1.70 -0.24 0.00 0.00 0.00 0.00 46.02 44.09 3cda n GLY 578 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cda s ALA 579 N -1.86 3.90 0.03 4.61 0.00 0.33 -4.61 121.76 124.15 3cda s ALA 579 Ca 0.00 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 50.87 3cda s ALA 579 Cb 0.00 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.40 3cda s ALA 579 CO 0.00 0.39 -0.19 -1.12 0.00 0.00 0.00 175.76 174.84 3cda s SER 580 N -3.59 2.21 0.02 0.00 0.01 -0.62 -1.12 113.70 110.62 3cda s SER 580 Ca 0.34 -0.46 -0.02 0.00 1.31 0.00 0.00 55.95 57.11 3cda s SER 580 Cb -0.10 -0.19 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 3cda s SER 580 CO 0.28 0.15 0.02 -0.94 0.41 0.00 0.00 173.24 173.16 3cda s SER 581 N -1.00 0.19 0.01 2.44 1.04 -1.26 -1.11 113.70 114.02 3cda s SER 581 Ca 0.06 -0.45 0.05 0.00 0.48 0.00 0.00 55.95 56.09 3cda s SER 581 Cb -0.08 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.17 3cda s SER 581 CO 0.01 -0.35 -0.14 -0.13 0.98 0.00 0.00 173.24 173.61 3cda s ARG 582 N -1.65 1.06 -0.27 4.02 1.81 -0.68 -4.99 118.95 118.25 3cda s ARG 582 Ca -0.14 -0.61 -0.21 0.00 -1.72 0.00 0.00 55.73 53.05 3cda s ARG 582 Cb -0.08 -1.05 -0.01 0.00 -0.45 0.00 0.00 34.95 33.36 3cda s ARG 582 CO -0.01 0.28 0.66 0.08 -0.68 0.00 0.00 175.30 175.63 3cda s VAL 583 N -0.54 4.94 -0.07 3.52 1.01 -1.26 -1.65 120.40 126.35 3cda s VAL 583 Ca 0.04 1.10 -0.05 0.00 0.00 0.00 0.00 61.98 63.07 3cda s VAL 583 Cb -0.06 -3.99 -0.27 0.00 0.00 0.00 0.00 36.38 32.05 3cda s VAL 583 CO 0.00 -0.06 0.56 -0.07 0.00 0.00 0.00 175.10 175.53 3cda h LEU 584 N 9.07 0.42 -7.61 3.92 3.38 -0.36 -3.49 115.31 120.64 3cda h LEU 584 Ca -0.26 -0.77 -0.08 0.00 0.09 0.00 0.00 57.88 56.85 3cda h LEU 584 Cb 1.12 -0.14 -0.15 0.00 0.09 0.00 0.00 40.66 41.58 3cda h LEU 584 CO 0.80 1.68 -0.26 0.00 0.09 0.00 0.00 178.44 180.75 3cda s ALA 585 N -2.58 -0.57 -0.26 1.53 0.00 -1.17 -4.98 121.76 113.73 3cda s ALA 585 Ca -0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 3cda s ALA 585 Cb 0.06 0.45 0.15 0.00 0.00 0.00 0.00 23.12 23.78 3cda s ALA 585 CO 0.81 -0.49 0.43 0.34 0.00 0.00 0.00 175.76 176.85 3cda s ASP 586 N -2.48 -0.11 0.00 0.00 -1.08 -1.25 -2.04 116.67 109.71 3cda s ASP 586 Ca -0.00 0.35 0.00 0.00 -0.52 0.00 0.00 52.55 52.38 3cda s ASP 586 Cb 0.02 1.34 0.00 0.00 -1.46 0.00 0.00 42.92 42.82 3cda s ASP 586 CO -0.08 -0.29 0.00 0.61 0.52 0.00 0.00 175.17 175.93 3cda n GLY 587 N 5.38 0.39 3.78 2.66 0.00 -0.14 -4.17 105.19 113.08 3cda n GLY 587 Ca -0.03 0.67 -0.37 0.00 0.00 0.00 0.00 46.02 46.30 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 3.88 0.25 1.61 1.75 -0.69 -1.25 119.30 124.86 3cda s MET 588 Ca 0.00 1.65 0.09 0.00 -1.25 0.00 0.00 55.69 56.18 3cda s MET 588 Cb 0.00 -2.41 -0.05 0.00 2.84 0.00 0.00 34.83 35.21 3cda s MET 588 CO 0.00 -0.42 -0.15 0.95 -0.65 0.00 0.00 175.02 174.75 3cda s THR 589 N -1.62 2.04 -0.07 10.11 -4.23 -1.26 -1.92 115.64 118.69 3cda s THR 589 Ca 0.62 -2.28 -0.04 0.00 -1.18 0.00 0.00 61.69 58.82 3cda s THR 589 Cb -0.25 -2.22 0.03 0.00 1.34 0.00 0.00 72.50 71.40 3cda s THR 589 CO 0.31 -0.46 0.16 -0.60 -0.54 0.00 0.00 174.62 173.49 3cda s ARG 590 N -3.60 0.13 -0.62 3.99 6.06 -0.69 -4.91 118.95 119.31 3cda s ARG 590 Ca 0.27 0.35 0.06 0.00 -2.50 0.00 0.00 55.73 53.90 3cda s ARG 590 Cb -0.02 -0.10 0.23 0.00 0.06 0.00 0.00 34.95 35.12 3cda s ARG 590 CO 0.11 -0.12 0.65 0.41 -2.50 0.00 0.00 175.30 173.84 3cda n GLY 591 N 3.87 4.33 3.71 8.12 0.00 -1.26 -1.26 105.19 122.70 3cda n GLY 591 Ca -0.22 -2.56 -0.33 0.00 0.00 0.00 0.00 46.02 42.90 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 -2.00 1.91 -0.19 1.61 0.04 -1.12 0.03 135.00 135.28 3cda s PRO 592 Ca 0.35 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 63.07 3cda s PRO 592 Cb 0.10 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.82 3cda s PRO 592 CO -0.07 -1.99 -0.08 0.54 0.04 0.00 0.00 177.00 175.44 3cda s VAL 593 N -2.15 3.24 0.44 -0.36 0.11 -0.71 -1.89 120.40 119.10 3cda s VAL 593 Ca 0.72 -0.56 0.07 0.00 -2.93 0.00 0.00 61.98 59.29 3cda s VAL 593 Cb -0.28 -2.43 -0.02 0.00 -1.53 0.00 0.00 36.38 32.12 3cda s VAL 593 CO 0.48 0.47 0.32 0.68 -3.33 0.00 0.00 175.10 173.72 3cda s VAL 594 N 1.05 2.32 -0.01 2.04 -7.23 -0.75 -1.50 120.40 116.33 3cda s VAL 594 Ca 0.00 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 3cda s VAL 594 Cb -0.15 -2.81 0.01 0.00 0.56 0.00 0.00 36.38 33.99 3cda s VAL 594 CO -0.01 0.00 0.00 -0.13 -0.31 0.00 0.00 175.10 174.66 3cda s ARG 595 N -4.09 0.02 0.40 4.82 0.52 0.58 -1.76 118.95 119.43 3cda s ARG 595 Ca 0.43 0.04 0.08 0.00 -0.52 0.00 0.00 55.73 55.75 3cda s ARG 595 Cb -0.01 -0.09 -0.02 0.00 0.52 0.00 0.00 34.95 35.35 3cda s ARG 595 CO 0.25 -0.04 0.38 -0.51 0.02 0.00 0.00 175.30 175.40 3cda s LEU 596 N 0.29 3.49 0.34 2.53 2.01 -0.87 -0.96 118.68 125.50 3cda s LEU 596 Ca -0.02 -0.63 0.02 0.00 0.01 0.00 0.00 54.13 53.50 3cda s LEU 596 Cb -0.04 -2.18 0.61 0.00 0.01 0.00 0.00 46.19 44.59 3cda s LEU 596 CO -0.01 -0.59 1.98 -0.65 1.01 0.00 0.00 176.35 178.09 3cda h PRO 597 N 1.03 0.88 -4.85 1.29 0.11 -1.89 -3.45 132.00 125.12 3cda h PRO 597 Ca -0.42 -0.05 -0.31 0.00 0.11 0.00 0.00 66.00 65.33 3cda h PRO 597 Cb 1.26 -0.20 -0.15 0.00 0.11 0.00 0.00 31.00 32.03 3cda h PRO 597 CO 0.56 0.58 -0.66 1.03 -0.21 0.00 0.00 178.00 179.30 3cda s ARG 598 N -5.78 1.16 0.38 1.05 1.81 -1.26 -4.97 118.95 111.34 3cda s ARG 598 Ca -0.10 -1.57 0.12 0.00 -1.72 0.00 0.00 55.73 52.45 3cda s ARG 598 Cb 0.18 -0.32 0.76 0.00 -0.45 0.00 0.00 34.95 35.12 3cda s ARG 598 CO 0.78 -0.13 1.86 0.00 -0.68 0.00 0.00 175.30 177.12 3cda h ALA 599 N 2.64 1.44 -0.04 2.13 0.00 -1.88 -2.22 119.26 121.33 3cda h ALA 599 Ca -0.37 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.15 3cda h ALA 599 Cb 1.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3cda h ALA 599 CO 0.63 0.41 -0.43 0.00 0.00 0.00 0.00 179.25 179.86 3cda h ASP 601 N 0.08 0.61 -0.21 0.00 3.32 -1.89 -2.03 116.42 116.30 3cda h ASP 601 Ca 0.00 -0.69 -0.03 0.00 0.02 0.00 0.00 57.03 56.33 3cda h ASP 601 Cb 0.79 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3cda h ASP 601 CO 0.06 1.22 0.04 0.77 -1.72 0.00 0.00 179.24 179.61 3cda h SER 602 N 0.06 0.41 -0.71 6.45 4.64 -1.27 -1.38 113.55 121.76 3cda h SER 602 Ca -0.06 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 3cda h SER 602 Cb 1.26 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 63.21 3cda h SER 602 CO 0.12 0.45 0.33 0.00 -0.87 0.00 0.00 176.83 176.86 3cda h ALA 603 N 1.61 0.92 -0.69 5.18 0.00 -0.90 -1.66 119.26 123.72 3cda h ALA 603 Ca 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3cda h ALA 603 Cb 0.23 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3cda h ALA 603 CO 0.00 0.49 0.25 1.49 0.00 0.00 0.00 179.25 181.48 3cda h GLU 604 N 1.00 1.03 -0.24 0.00 4.81 -0.58 -1.94 114.58 118.65 3cda h GLU 604 Ca 0.24 -0.19 -0.14 0.00 -0.13 0.00 0.00 59.36 59.15 3cda h GLU 604 Cb 0.14 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3cda h GLU 604 CO -0.03 0.85 -0.42 0.28 -0.73 0.00 0.00 179.01 178.97 3cda h VAL 605 N 1.00 1.30 -0.17 0.32 2.07 -0.98 -1.44 116.25 118.35 3cda h VAL 605 Ca 0.23 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 3cda h VAL 605 Cb 0.23 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3cda h VAL 605 CO -0.02 0.50 0.03 0.50 0.02 0.00 0.00 177.57 178.60 3cda h LYS 606 N 0.47 0.28 -0.72 1.57 3.64 -1.06 -1.37 116.57 119.38 3cda h LYS 606 Ca 0.04 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3cda h LYS 606 Cb 0.92 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.68 3cda h LYS 606 CO 0.08 0.45 0.29 0.00 -2.27 0.00 0.00 179.45 178.01 3cda h ALA 607 N 0.82 1.16 -0.65 5.00 0.00 -1.30 -1.51 119.26 122.78 3cda h ALA 607 Ca 0.05 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3cda h ALA 607 Cb 0.31 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3cda h ALA 607 CO 0.00 0.61 0.06 2.35 0.00 0.00 0.00 179.25 182.27 3cda h TRP 608 N 1.04 1.18 0.00 0.00 7.01 -1.15 -2.21 115.95 121.83 3cda h TRP 608 Ca 0.24 -0.18 -0.04 0.00 2.11 0.00 0.00 58.89 61.02 3cda h TRP 608 Cb 0.19 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 3cda h TRP 608 CO 0.02 1.01 -0.20 -0.07 -2.79 0.00 0.00 178.44 176.41 3cda h LEU 609 N 1.02 0.00 0.00 0.65 3.38 -0.97 -2.90 115.31 116.49 3cda h LEU 609 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3cda h LEU 609 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3cda h LEU 609 CO 0.02 0.20 -0.28 -0.33 0.09 0.00 0.00 178.44 178.15 3cda h GLU 610 N 0.00 0.00 -7.17 1.13 5.08 -0.73 -3.34 114.58 109.55 3cda h GLU 610 Ca -0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.86 3cda h GLU 610 Cb 0.65 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.96 3cda h GLU 610 CO 0.03 0.00 0.38 0.95 -1.00 0.00 0.00 179.01 179.37 3cda s THR 611 N -3.16 3.65 0.19 1.13 -4.23 -0.88 -4.96 115.64 107.38 3cda s THR 611 Ca 0.08 0.83 -0.09 0.00 -1.18 0.00 0.00 61.69 61.32 3cda s THR 611 Cb 0.11 -3.33 0.11 0.00 1.34 0.00 0.00 72.50 70.72 3cda s THR 611 CO 0.66 -0.42 1.72 0.77 -0.54 0.00 0.00 174.62 176.82 3cda h SER 612 N 0.58 1.01 0.50 3.99 4.64 -1.88 -2.41 113.55 119.98 3cda h SER 612 Ca -0.47 -0.21 -0.21 0.00 -0.47 0.00 0.00 61.79 60.42 3cda h SER 612 Cb 1.23 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 3cda h SER 612 CO 0.57 0.96 -0.90 1.05 -0.87 0.00 0.00 176.83 177.63 3cda h GLU 613 N 1.01 0.27 -0.34 4.77 9.09 -1.93 -1.36 114.58 126.08 3cda h GLU 613 Ca 0.22 -0.29 -0.07 0.00 0.05 0.00 0.00 59.36 59.27 3cda h GLU 613 Cb 0.32 0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 27.49 3cda h GLU 613 CO -0.00 1.01 -0.05 0.78 0.05 0.00 0.00 179.01 180.79 3cda h GLY 614 N 1.64 0.70 2.00 1.06 0.00 -1.68 -2.79 103.07 104.00 3cda h GLY 614 Ca -0.06 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.62 3cda h GLY 614 CO 0.14 0.51 -0.46 -2.75 0.00 0.00 0.00 176.54 173.98 3cda h PHE 615 N 0.44 0.00 -0.06 5.60 3.57 -1.36 -2.76 116.94 122.35 3cda h PHE 615 Ca 0.09 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.43 3cda h PHE 615 Cb 0.54 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 3cda h PHE 615 CO 0.05 0.46 -0.65 0.00 -2.23 0.00 0.00 178.31 175.94 3cda h ALA 616 N 1.54 0.78 -0.27 2.41 0.00 -1.18 0.14 119.26 122.69 3cda h ALA 616 Ca -0.00 -0.57 -0.12 0.00 0.00 0.00 0.00 54.91 54.22 3cda h ALA 616 Cb 0.84 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3cda h ALA 616 CO 0.06 0.75 -0.30 0.28 0.00 0.00 0.00 179.25 180.05 3cda h VAL 617 N 0.18 1.31 -0.47 0.00 2.07 -1.40 -2.01 116.25 115.94 3cda h VAL 617 Ca -0.01 -1.47 -0.14 0.00 0.82 0.00 0.00 66.70 65.90 3cda h VAL 617 Cb 1.17 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 3cda h VAL 617 CO 0.10 0.47 -0.25 0.40 0.02 0.00 0.00 177.57 178.31 3cda h ILE 618 N 0.40 1.27 -0.90 4.57 1.08 -1.35 -2.49 117.51 120.09 3cda h ILE 618 Ca 0.04 -1.42 -0.02 0.00 -0.39 0.00 0.00 64.86 63.07 3cda h ILE 618 Cb 0.87 1.18 -0.04 0.00 -3.07 0.00 0.00 36.82 35.75 3cda h ILE 618 CO 0.07 0.49 0.49 0.50 -0.69 0.00 0.00 178.15 179.01 3cda h LYS 619 N 0.84 1.26 -0.58 2.37 3.64 -0.73 -1.10 116.57 122.28 3cda h LYS 619 Ca 0.10 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 3cda h LYS 619 Cb 0.84 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 3cda h LYS 619 CO 0.07 0.93 -0.03 1.49 -2.27 0.00 0.00 179.45 179.64 3cda h GLU 620 N 1.27 1.03 -0.25 1.90 4.81 -1.16 0.67 114.58 122.85 3cda h GLU 620 Ca 0.32 -0.33 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 3cda h GLU 620 Cb 0.03 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3cda h GLU 620 CO -0.05 1.02 -0.48 0.00 -0.73 0.00 0.00 179.01 178.77 3cda h ALA 621 N 1.02 0.69 -0.05 2.92 0.00 -1.22 -2.53 119.26 120.09 3cda h ALA 621 Ca 0.16 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3cda h ALA 621 Cb 0.58 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3cda h ALA 621 CO 0.03 0.67 0.01 0.35 0.00 0.00 0.00 179.25 180.32 3cda h PHE 622 N 0.52 0.08 0.00 0.00 3.57 -0.91 -3.24 116.94 116.97 3cda h PHE 622 Ca 0.03 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3cda h PHE 622 Cb 1.03 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.74 3cda h PHE 622 CO 0.05 0.28 0.00 -0.44 -2.23 0.00 0.00 178.31 175.97 3cda h ASP 623 N -0.14 0.00 0.88 0.41 5.19 -0.86 -3.00 116.42 118.90 3cda h ASP 623 Ca 0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3cda h ASP 623 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 3cda h ASP 623 CO 0.00 0.00 0.00 0.77 -3.12 0.00 0.00 179.24 176.89 3cda h SER 624 N 0.00 0.00 1.83 6.45 4.64 -1.47 -3.28 113.55 121.71 3cda h SER 624 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3cda h SER 624 Cb 0.65 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3cda h SER 624 CO 0.00 0.00 -0.17 0.71 -0.87 0.00 0.00 176.83 176.50 3cda h THR 625 N 0.00 0.13 -2.34 2.95 1.35 -1.68 -3.47 112.91 109.85 3cda h THR 625 Ca 0.00 -1.19 0.13 0.00 -0.55 0.00 0.00 66.41 64.80 3cda h THR 625 Cb 0.44 2.02 -0.13 0.00 -1.73 0.00 0.00 68.15 68.75 3cda h THR 625 CO 0.00 0.07 0.48 -0.94 -0.25 0.00 0.00 175.52 174.88 3cda s SER 626 N -6.17 -0.31 0.35 5.36 1.04 -1.24 -4.99 113.70 107.74 3cda s SER 626 Ca 0.06 -0.14 0.17 0.00 0.48 0.00 0.00 55.95 56.51 3cda s SER 626 Cb 0.06 0.43 0.62 0.00 0.10 0.00 0.00 66.02 67.23 3cda s SER 626 CO 0.69 -0.74 1.72 0.08 0.98 0.00 0.00 173.24 175.97 3cda h ARG 627 N 2.00 0.00 0.00 4.02 0.11 -1.92 -2.94 114.38 115.65 3cda h ARG 627 Ca -0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.85 3cda h ARG 627 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 3cda h ARG 627 CO 0.29 0.43 -0.68 1.19 0.10 0.00 0.00 179.97 181.30 3cda n PHE 628 N -3.63 0.19 -2.03 4.08 0.99 -1.26 -4.86 117.46 110.93 3cda n PHE 628 Ca -0.01 0.06 -0.40 0.00 -0.00 0.00 0.00 57.45 57.10 3cda n PHE 628 Cb 0.52 -0.37 -0.03 0.00 -1.00 0.00 0.00 39.48 38.60 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 -3.08 2.35 -0.28 4.37 0.00 -1.11 -4.43 121.76 119.56 3cda s ALA 629 Ca 0.08 -0.41 -0.00 0.00 0.00 0.00 0.00 51.96 51.62 3cda s ALA 629 Cb 0.16 -4.23 0.09 0.00 0.00 0.00 0.00 23.12 19.14 3cda s ALA 629 CO 0.74 -3.57 0.05 1.03 0.00 0.00 0.00 175.76 174.01 3cda s ARG 630 N 6.67 0.97 -0.04 0.00 3.00 -1.26 -4.26 118.95 124.04 3cda s ARG 630 Ca 0.70 -1.07 -0.30 0.00 0.00 0.00 0.00 55.73 55.06 3cda s ARG 630 Cb -0.15 -2.28 -0.04 0.00 0.00 0.00 0.00 34.95 32.48 3cda s ARG 630 CO 0.24 -0.86 1.28 -1.17 0.00 0.00 0.00 175.30 174.79 3cda s LEU 631 N 1.51 4.29 0.00 2.53 2.96 -1.26 -4.18 118.68 124.54 3cda s LEU 631 Ca 0.06 1.93 -0.03 0.00 -0.22 0.00 0.00 54.13 55.86 3cda s LEU 631 Cb -0.18 -3.56 0.11 0.00 0.50 0.00 0.00 46.19 43.07 3cda s LEU 631 CO -0.17 -0.64 0.74 0.00 -1.32 0.00 0.00 176.35 174.96 3cda n GLN 632 N 5.28 -0.15 -1.57 1.98 6.02 -0.32 -5.01 117.38 123.61 3cda n GLN 632 Ca 0.12 -1.73 -0.51 0.00 -0.01 0.00 0.00 57.00 54.86 3cda n GLN 632 Cb 0.45 -0.58 -0.05 0.00 1.02 0.00 0.00 30.24 31.08 3cda n GLN 632 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3cda n LYS 633 N -2.43 1.03 -2.84 -1.09 3.00 -1.26 -4.70 118.16 109.87 3cda n LYS 633 Ca 0.11 0.37 -0.40 0.00 -0.00 0.00 0.00 58.31 58.39 3cda n LYS 633 Cb 0.40 -1.94 -0.05 0.00 0.00 0.00 0.00 35.03 33.44 3cda n LYS 633 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3cda s LEU 634 N 0.55 4.51 -0.19 3.14 2.96 -1.26 -4.69 118.68 123.70 3cda s LEU 634 Ca 0.81 1.68 -0.06 0.00 -0.22 0.00 0.00 54.13 56.34 3cda s LEU 634 Cb -0.95 -3.45 -0.03 0.00 0.50 0.00 0.00 46.19 42.26 3cda s LEU 634 CO 0.50 0.01 0.03 -2.28 -1.32 0.00 0.00 176.35 173.28 3cda s HIS 635 N -0.25 3.14 0.02 5.38 5.65 -1.15 -4.98 115.29 123.11 3cda s HIS 635 Ca 0.43 -0.16 0.07 0.00 0.25 0.00 0.00 55.06 55.64 3cda s HIS 635 Cb -0.23 -2.07 -0.02 0.00 -1.18 0.00 0.00 32.58 29.09 3cda s HIS 635 CO 0.27 -0.01 -0.19 0.99 -0.65 0.00 0.00 174.74 175.15 3cda s THR 636 N 0.61 1.55 -0.03 0.89 2.01 -1.26 -0.14 115.64 119.26 3cda s THR 636 Ca 0.01 -1.05 -0.01 0.00 0.31 0.00 0.00 61.69 60.95 3cda s THR 636 Cb -0.14 -1.33 0.03 0.00 0.01 0.00 0.00 72.50 71.07 3cda s THR 636 CO 0.02 0.25 0.06 -0.55 -0.69 0.00 0.00 174.62 173.72 3cda s SER 637 N -0.93 -0.00 -0.14 3.53 0.15 -0.32 -5.00 113.70 110.99 3cda s SER 637 Ca 0.07 0.12 -0.06 0.00 0.70 0.00 0.00 55.95 56.78 3cda s SER 637 Cb -0.08 0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.22 3cda s SER 637 CO 0.01 -0.11 0.07 -0.63 1.20 0.00 0.00 173.24 173.78 3cda s ILE 638 N 0.85 4.90 -0.46 6.45 1.01 -1.26 -0.80 121.20 131.89 3cda s ILE 638 Ca -0.07 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.60 3cda s ILE 638 Cb -0.10 -3.15 0.15 0.00 0.01 0.00 0.00 42.46 39.38 3cda s ILE 638 CO -0.03 0.55 0.32 0.00 0.00 0.00 0.00 174.94 175.77 3cda s ALA 639 N -0.40 2.01 0.00 9.38 0.00 -0.79 -5.02 121.76 126.93 3cda s ALA 639 Ca 0.10 -2.66 0.00 0.00 0.00 0.00 0.00 51.96 49.40 3cda s ALA 639 Cb -0.12 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.21 3cda s ALA 639 CO 0.02 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.14 3cda n GLY 640 N 3.09 2.88 0.07 0.00 0.00 -1.26 -1.58 105.19 108.39 3cda n GLY 640 Ca 0.19 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 13.11 0.41 -2.50 1.61 1.85 -1.26 -4.28 116.66 125.60 3cda n ARG 641 Ca 0.00 -0.14 -0.36 0.00 -1.00 0.00 0.00 57.85 56.35 3cda n ARG 641 Cb 0.00 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 29.88 3cda n ARG 641 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 3cda s ASN 642 N -2.68 6.54 -0.19 2.89 0.01 -0.62 -2.06 114.94 118.83 3cda s ASN 642 Ca 0.22 2.04 -0.05 0.00 -0.71 0.00 0.00 52.86 54.37 3cda s ASN 642 Cb 0.19 -2.58 0.07 0.00 0.41 0.00 0.00 41.25 39.35 3cda s ASN 642 CO 0.53 -0.65 0.14 -0.22 -1.51 0.00 0.00 177.10 175.39 3cda s LEU 643 N -2.96 0.19 -0.14 0.60 2.96 -0.72 -1.89 118.68 116.71 3cda s LEU 643 Ca 0.62 -0.50 -0.17 0.00 -0.22 0.00 0.00 54.13 53.86 3cda s LEU 643 Cb -0.21 -0.03 -0.04 0.00 0.50 0.00 0.00 46.19 46.41 3cda s LEU 643 CO 0.26 -0.34 0.42 -0.31 -1.32 0.00 0.00 176.35 175.06 3cda s TYR 644 N 2.20 3.47 -0.12 5.38 1.51 0.02 -1.81 117.35 128.01 3cda s TYR 644 Ca 0.04 0.78 0.02 0.00 -1.01 0.00 0.00 57.07 56.89 3cda s TYR 644 Cb -0.16 -2.50 0.02 0.00 -0.11 0.00 0.00 41.96 39.20 3cda s TYR 644 CO -0.11 0.15 -0.16 0.42 -1.11 0.00 0.00 175.55 174.74 3cda s ILE 645 N 0.73 1.56 -0.49 2.71 1.01 -0.79 -1.17 121.20 124.75 3cda s ILE 645 Ca 0.23 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 3cda s ILE 645 Cb -0.15 -1.43 0.12 0.00 0.01 0.00 0.00 42.46 41.02 3cda s ILE 645 CO 0.08 0.45 0.40 -0.60 0.00 0.00 0.00 174.94 175.28 3cda s ARG 646 N 1.06 2.69 -0.04 2.79 3.52 0.80 -2.79 118.95 126.97 3cda s ARG 646 Ca -0.05 -1.72 -0.27 0.00 -0.13 0.00 0.00 55.73 53.57 3cda s ARG 646 Cb -0.15 -4.06 -0.03 0.00 -1.56 0.00 0.00 34.95 29.15 3cda s ARG 646 CO -0.03 -1.23 0.84 -0.06 -0.81 0.00 0.00 175.30 174.01 3cda s PHE 647 N 1.46 3.60 -0.05 5.12 0.40 -0.39 -2.95 117.98 125.17 3cda s PHE 647 Ca 0.05 1.46 0.03 0.00 -0.60 0.00 0.00 56.93 57.87 3cda s PHE 647 Cb -0.27 -2.97 0.01 0.00 0.51 0.00 0.00 43.02 40.29 3cda s PHE 647 CO 0.01 0.02 -0.12 -1.14 0.70 0.00 0.00 175.22 174.69 3cda s GLN 648 N 1.00 1.42 -0.16 0.44 0.74 -1.26 -1.70 119.66 120.14 3cda s GLN 648 Ca 0.44 -0.40 -0.26 0.00 0.05 0.00 0.00 55.36 55.19 3cda s GLN 648 Cb -0.19 -1.24 0.07 0.00 1.10 0.00 0.00 33.01 32.75 3cda s GLN 648 CO 0.22 0.10 0.67 0.45 -0.55 0.00 0.00 175.29 176.18 3cda s SER 649 N 0.38 -0.67 1.12 6.67 0.15 -0.81 -1.17 113.70 119.38 3cda s SER 649 Ca -0.08 1.04 -0.13 0.00 0.70 0.00 0.00 55.95 57.48 3cda s SER 649 Cb -0.12 0.99 0.23 0.00 -1.71 0.00 0.00 66.02 65.40 3cda s SER 649 CO 0.02 -0.40 0.85 0.54 1.20 0.00 0.00 173.24 175.44 3cda n ARG 650 N 1.88 -1.97 -2.63 5.44 1.74 -1.26 -1.70 116.66 118.17 3cda n ARG 650 Ca -0.16 -0.54 -0.02 0.00 -0.77 0.00 0.00 57.85 56.36 3cda n ARG 650 Cb 0.56 -2.11 0.11 0.00 -1.02 0.00 0.00 32.46 30.00 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 -4.18 -0.82 0.00 0.55 3.41 -1.26 -4.46 113.62 106.86 3cda n SER 651 Ca 0.04 -2.17 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 3cda n SER 651 Cb 0.55 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 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 -1.29 3.09 0.91 5.00 0.00 -1.26 -2.16 105.19 109.48 3cda n GLY 652 Ca -0.13 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.69 3cda n GLY 652 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cda n ASP 653 N 1.88 2.77 -4.81 1.61 8.00 -1.26 -4.07 116.55 120.67 3cda n ASP 653 Ca 0.00 -1.89 -0.34 0.00 0.71 0.00 0.00 54.79 53.27 3cda n ASP 653 Cb 0.00 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.77 2.99 0.32 2.24 0.00 -0.92 -0.03 121.76 124.59 3cda s ALA 654 Ca 0.34 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.80 3cda s ALA 654 Cb 0.21 -3.19 0.53 0.00 0.00 0.00 0.00 23.12 20.66 3cda s ALA 654 CO 0.30 -0.04 1.96 1.98 0.00 0.00 0.00 175.76 179.97 3cda h MET 655 N 1.90 0.99 0.00 0.00 4.05 -1.72 -3.44 114.93 116.71 3cda h MET 655 Ca -0.49 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 58.87 3cda h MET 655 Cb 1.20 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.77 3cda h MET 655 CO 0.61 0.65 0.00 0.41 0.23 0.00 0.00 176.91 178.81 3cda n GLY 656 N -1.42 0.96 0.15 1.39 0.00 -1.26 -4.72 105.19 100.29 3cda n GLY 656 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 3.92 0.42 -0.45 1.61 2.86 -1.95 -0.72 114.93 120.62 3cda h MET 657 Ca 0.00 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.45 3cda h MET 657 Cb 0.00 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3cda h MET 657 CO 0.00 0.44 -0.14 -0.91 1.06 0.00 0.00 176.91 177.36 3cda h ASN 658 N 0.31 0.91 -0.26 1.22 2.35 -1.99 -1.59 115.58 116.53 3cda h ASN 658 Ca 0.10 -0.38 -0.02 0.00 -0.55 0.00 0.00 56.30 55.45 3cda h ASN 658 Cb 0.18 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3cda h ASN 658 CO -0.01 1.08 0.09 -0.03 -1.65 0.00 0.00 177.43 176.91 3cda h MET 659 N 0.73 0.40 -0.58 0.81 4.05 -1.97 -2.44 114.93 115.93 3cda h MET 659 Ca 0.11 -0.08 -0.03 0.00 -0.28 0.00 0.00 59.70 59.42 3cda h MET 659 Cb 0.70 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.41 3cda h MET 659 CO 0.05 0.46 0.26 0.82 0.23 0.00 0.00 176.91 178.72 3cda h ILE 660 N 0.26 1.22 -0.88 1.77 1.08 -1.07 -1.37 117.51 118.51 3cda h ILE 660 Ca 0.08 -0.64 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 3cda h ILE 660 Cb 0.22 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 34.50 3cda h ILE 660 CO -0.00 0.25 0.55 0.28 -0.69 0.00 0.00 178.15 178.54 3cda h SER 661 N 0.79 1.04 -0.34 1.72 0.02 -1.24 0.21 113.55 115.74 3cda h SER 661 Ca 0.19 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 3cda h SER 661 Cb 0.16 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3cda h SER 661 CO -0.02 0.78 -0.00 0.50 -1.14 0.00 0.00 176.83 176.95 3cda h LYS 662 N 1.21 0.60 -0.57 3.45 3.64 -1.17 -1.54 116.57 122.18 3cda h LYS 662 Ca 0.32 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3cda h LYS 662 Cb -0.09 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 3cda h LYS 662 CO -0.06 0.72 0.35 0.78 -2.27 0.00 0.00 179.45 178.97 3cda h GLY 663 N 0.41 0.82 0.88 5.01 0.00 -0.75 -2.82 103.07 106.62 3cda h GLY 663 Ca 0.10 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.12 3cda h GLY 663 CO 0.02 0.32 0.40 -0.84 0.00 0.00 0.00 176.54 176.44 3cda h THR 664 N 0.77 1.08 -0.45 4.70 2.02 -0.43 -1.55 112.91 119.05 3cda h THR 664 Ca 0.21 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 3cda h THR 664 Cb -0.04 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 3cda h THR 664 CO -0.04 0.14 0.09 -0.33 0.37 0.00 0.00 175.52 175.75 3cda h GLU 665 N 0.78 0.73 0.00 6.66 5.08 -1.12 -1.17 114.58 125.54 3cda h GLU 665 Ca 0.26 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 3cda h GLU 665 Cb 0.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3cda h GLU 665 CO -0.10 0.74 -0.42 0.87 -1.00 0.00 0.00 179.01 179.11 3cda h LYS 666 N 0.60 0.00 -0.19 2.33 1.79 -1.34 -1.99 116.57 117.79 3cda h LYS 666 Ca 0.14 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.43 3cda h LYS 666 Cb 0.35 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.00 3cda h LYS 666 CO 0.01 0.42 -0.61 0.00 -1.08 0.00 0.00 179.45 178.18 3cda h ALA 667 N 1.58 0.58 0.04 3.86 0.00 -0.83 -2.55 119.26 121.94 3cda h ALA 667 Ca -0.00 -0.54 -0.23 0.00 0.00 0.00 0.00 54.91 54.14 3cda h ALA 667 Cb 0.78 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3cda h ALA 667 CO 0.05 0.70 -1.02 -0.07 0.00 0.00 0.00 179.25 178.91 3cda h LEU 668 N 0.47 0.31 -0.47 0.00 3.38 -1.11 -1.30 115.31 116.60 3cda h LEU 668 Ca -0.01 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.69 3cda h LEU 668 Cb 1.18 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 3cda h LEU 668 CO 0.12 1.15 0.28 -1.28 0.09 0.00 0.00 178.44 178.80 3cda h SER 669 N 0.10 0.46 -0.61 -0.43 0.87 -1.36 0.17 113.55 112.75 3cda h SER 669 Ca -0.07 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.40 3cda h SER 669 Cb 1.70 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.54 3cda h SER 669 CO 0.16 0.33 0.04 0.50 -0.53 0.00 0.00 176.83 177.33 3cda h LYS 670 N 0.57 1.07 -0.49 2.24 1.63 -1.39 -2.57 116.57 117.62 3cda h LYS 670 Ca 0.18 -0.31 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 3cda h LYS 670 Cb 0.00 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 3cda h LYS 670 CO -0.08 1.01 0.27 1.25 -3.45 0.00 0.00 179.45 178.46 3cda h LEU 671 N 0.98 0.59 -1.12 5.20 5.85 -0.82 -2.00 115.31 123.99 3cda h LEU 671 Ca 0.18 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 3cda h LEU 671 Cb 0.51 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3cda h LEU 671 CO 0.02 0.48 -0.35 -0.74 -0.34 0.00 0.00 178.44 177.52 3cda h HIS 672 N 0.68 0.00 -0.82 1.25 2.76 -0.58 -1.49 115.15 116.94 3cda h HIS 672 Ca 0.18 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.36 3cda h HIS 672 Cb 0.02 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 28.93 3cda h HIS 672 CO 0.00 0.35 0.54 0.93 -1.30 0.00 0.00 177.93 178.45 3cda h GLU 673 N 0.00 1.05 0.00 5.26 5.08 -1.07 -2.12 114.58 122.79 3cda h GLU 673 Ca -0.00 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.08 3cda h GLU 673 Cb 0.79 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3cda h GLU 673 CO 0.04 0.70 -1.19 1.88 -1.00 0.00 0.00 179.01 179.44 3cda h TYR 674 N 1.08 0.00 -2.43 4.33 -1.99 -1.50 -3.40 116.97 113.06 3cda h TYR 674 Ca 0.31 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.45 3cda h TYR 674 Cb -0.07 0.00 -0.40 0.00 2.00 0.00 0.00 36.73 38.25 3cda h TYR 674 CO -0.00 0.90 -0.80 1.19 -0.00 0.00 0.00 178.16 179.46 3cda n PHE 675 N -3.20 1.55 0.30 4.88 3.01 -0.59 -4.98 117.46 118.42 3cda n PHE 675 Ca -0.06 -3.86 0.16 0.00 1.01 0.00 0.00 57.45 54.70 3cda n PHE 675 Cb 0.94 -0.34 0.93 0.00 -0.01 0.00 0.00 39.48 41.01 3cda n PHE 675 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3cda h PRO 676 N 4.80 0.00 -0.00 -1.08 0.13 -1.62 -1.28 132.00 132.95 3cda h PRO 676 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3cda h PRO 676 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3cda h PRO 676 CO 0.61 0.03 -0.01 0.39 -0.23 0.00 0.00 178.00 178.78 3cda n GLU 677 N -3.63 0.53 -2.05 0.86 1.02 -1.26 -4.85 120.64 111.26 3cda n GLU 677 Ca -0.03 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.67 3cda n GLU 677 Cb 0.12 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 3cda n GLU 677 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3cda s MET 678 N -2.49 4.28 -0.17 3.49 1.75 -0.48 -4.50 119.30 121.18 3cda s MET 678 Ca 0.31 2.24 -0.02 0.00 -1.25 0.00 0.00 55.69 56.97 3cda s MET 678 Cb 0.20 -3.17 -0.01 0.00 2.84 0.00 0.00 34.83 34.70 3cda s MET 678 CO 0.45 -0.46 -0.10 -1.14 -0.65 0.00 0.00 175.02 173.12 3cda s GLN 679 N 0.48 3.37 -0.40 4.11 0.74 -0.14 -4.96 119.66 122.87 3cda s GLN 679 Ca 0.64 -0.66 -0.29 0.00 0.05 0.00 0.00 55.36 55.09 3cda s GLN 679 Cb -0.41 -2.79 0.01 0.00 1.10 0.00 0.00 33.01 30.93 3cda s GLN 679 CO 0.36 0.03 1.28 0.42 -0.55 0.00 0.00 175.29 176.82 3cda s ILE 680 N 0.85 4.09 -0.05 -2.34 1.01 -1.26 -0.31 121.20 123.20 3cda s ILE 680 Ca -0.03 1.16 -0.20 0.00 0.00 0.00 0.00 60.65 61.58 3cda s ILE 680 Cb -0.15 -4.33 -0.31 0.00 0.01 0.00 0.00 42.46 37.68 3cda s ILE 680 CO 0.01 -0.74 0.85 0.25 0.00 0.00 0.00 174.94 175.30 3cda h LEU 681 N 11.44 0.52 -7.07 2.97 5.85 -1.59 -3.48 115.31 123.95 3cda h LEU 681 Ca -0.25 -0.93 -0.04 0.00 0.84 0.00 0.00 57.88 57.49 3cda h LEU 681 Cb 1.09 -0.17 -0.22 0.00 0.37 0.00 0.00 40.66 41.73 3cda h LEU 681 CO 1.08 1.49 -0.01 0.00 -0.34 0.00 0.00 178.44 180.66 3cda s ALA 682 N -2.46 -1.61 0.37 1.25 0.00 -1.00 -5.03 121.76 113.28 3cda s ALA 682 Ca -0.14 1.96 0.35 0.00 0.00 0.00 0.00 51.96 54.13 3cda s ALA 682 Cb 0.02 -1.15 1.71 0.00 0.00 0.00 0.00 23.12 23.70 3cda s ALA 682 CO 0.84 -0.32 2.13 -0.24 0.00 0.00 0.00 175.76 178.16 3cda h VAL 683 N 4.58 0.18 -3.16 0.00 3.04 -1.92 -1.88 116.25 117.09 3cda h VAL 683 Ca -0.30 -0.38 -0.57 0.00 -1.01 0.00 0.00 66.70 64.44 3cda h VAL 683 Cb 1.19 1.32 -0.36 0.00 -2.01 0.00 0.00 31.29 31.42 3cda h VAL 683 CO 0.14 0.04 -0.82 -0.55 -1.01 0.00 0.00 177.57 175.37 3cda s SER 684 N -5.67 2.45 -0.37 3.17 0.15 -1.26 -3.00 113.70 109.16 3cda s SER 684 Ca -0.02 -0.41 0.07 0.00 0.70 0.00 0.00 55.95 56.29 3cda s SER 684 Cb 0.11 -1.03 0.63 0.00 -1.71 0.00 0.00 66.02 64.02 3cda s SER 684 CO 0.52 -0.07 1.75 0.61 1.20 0.00 0.00 173.24 177.25 3cda n GLY 685 N 4.77 4.45 2.52 9.45 0.00 0.10 -4.70 105.19 121.80 3cda n GLY 685 Ca -0.15 -1.11 -0.18 0.00 0.00 0.00 0.00 46.02 44.57 3cda n GLY 685 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cda n ASN 686 N -0.95 -5.24 -1.03 1.61 4.13 -1.25 -4.82 115.26 107.72 3cda n ASN 686 Ca 0.48 0.42 0.11 0.00 1.68 0.00 0.00 54.58 57.27 3cda n ASN 686 Cb 1.42 -4.36 0.17 0.00 -1.54 0.00 0.00 39.78 35.46 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 -2.58 0.33 0.04 3.10 9.36 -1.20 -4.66 117.16 121.55 3cda n TYR 687 Ca -0.19 -0.18 -0.13 0.00 3.32 0.00 0.00 57.90 60.73 3cda n TYR 687 Cb 0.61 -0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.23 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 -4.58 4.26 -0.25 0.00 2.01 -1.26 -4.70 115.64 111.11 3cda s THR 689 Ca -0.15 -0.24 -0.09 0.00 0.31 0.00 0.00 61.69 61.52 3cda s THR 689 Cb 0.02 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 3cda s THR 689 CO 0.63 0.53 0.11 -0.62 -0.69 0.00 0.00 174.62 174.57 3cda s ASP 690 N -0.11 5.53 -1.73 3.53 2.15 -1.26 -4.59 116.67 120.19 3cda s ASP 690 Ca 0.04 -0.08 0.00 0.00 0.43 0.00 0.00 52.55 52.94 3cda s ASP 690 Cb -0.13 -2.00 0.00 0.00 -0.30 0.00 0.00 42.92 40.50 3cda s ASP 690 CO 0.02 0.00 0.00 0.29 -0.17 0.00 0.00 175.17 175.31 3cda n LYS 691 N 4.68 -1.16 -4.14 4.34 5.02 -1.26 -4.99 118.16 120.65 3cda n LYS 691 Ca -0.16 1.06 -0.15 0.00 -2.02 0.00 0.00 58.31 57.05 3cda n LYS 691 Cb 0.52 -5.28 -0.12 0.00 -0.02 0.00 0.00 35.03 30.13 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 -3.49 0.63 0.41 1.97 3.01 -1.26 -4.94 119.74 116.07 3cda s LYS 692 Ca 0.00 -0.73 -0.26 0.00 -1.01 0.00 0.00 55.97 53.97 3cda s LYS 692 Cb 0.00 -0.50 -0.08 0.00 -1.01 0.00 0.00 37.83 36.23 3cda s LYS 692 CO 0.00 0.11 1.27 -1.25 0.51 0.00 0.00 175.35 175.99 3cda s PRO 693 N -1.38 3.96 -0.29 -1.68 0.04 -1.26 -4.72 135.00 129.67 3cda s PRO 693 Ca -0.05 2.07 -0.16 0.00 0.04 0.00 0.00 61.00 62.90 3cda s PRO 693 Cb -0.09 -2.72 0.12 0.00 0.04 0.00 0.00 34.50 31.86 3cda s PRO 693 CO 0.01 -0.47 0.86 0.00 0.04 0.00 0.00 177.00 177.44 3cda s ALA 694 N -1.30 -2.15 0.42 8.56 0.00 -1.26 -5.04 121.76 120.99 3cda s ALA 694 Ca 0.57 2.28 0.09 0.00 0.00 0.00 0.00 51.96 54.91 3cda s ALA 694 Cb -0.36 -1.63 0.92 0.00 0.00 0.00 0.00 23.12 22.04 3cda s ALA 694 CO 0.46 -0.41 2.04 0.00 0.00 0.00 0.00 175.76 177.85 3cda h ALA 695 N 6.54 1.79 -0.85 0.00 0.00 -1.95 -2.70 119.26 122.09 3cda h ALA 695 Ca -0.28 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.66 3cda h ALA 695 Cb 1.20 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 3cda h ALA 695 CO 0.17 0.16 0.56 0.97 0.00 0.00 0.00 179.25 181.11 3cda h ILE 696 N 0.50 1.09 -0.38 0.00 2.10 -1.97 -0.39 117.51 118.46 3cda h ILE 696 Ca 0.18 -0.34 -0.13 0.00 1.08 0.00 0.00 64.86 65.65 3cda h ILE 696 Cb 0.09 0.01 -0.01 0.00 -1.09 0.00 0.00 36.82 35.82 3cda h ILE 696 CO -0.04 0.18 -0.27 0.78 -1.08 0.00 0.00 178.15 177.71 3cda h ASN 697 N 0.99 0.82 -0.72 2.19 2.35 -1.77 0.29 115.58 119.72 3cda h ASN 697 Ca 0.35 -0.32 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3cda h ASN 697 Cb 0.15 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 3cda h ASN 697 CO -0.12 1.04 0.33 -0.25 -1.65 0.00 0.00 177.43 176.78 3cda h TRP 698 N 0.68 1.05 0.10 1.19 -0.00 -1.32 -1.20 115.95 116.44 3cda h TRP 698 Ca 0.08 -0.06 -0.37 0.00 -0.00 0.00 0.00 58.89 58.55 3cda h TRP 698 Cb 0.80 -0.32 -0.03 0.00 -0.00 0.00 0.00 29.16 29.61 3cda h TRP 698 CO 0.04 0.78 -2.07 -0.89 -0.00 0.00 0.00 178.44 176.31 3cda n ILE 699 N -4.41 1.73 0.31 2.65 5.41 -0.24 -4.37 119.36 120.45 3cda n ILE 699 Ca 0.06 -0.65 0.11 0.00 1.00 0.00 0.00 62.75 63.27 3cda n ILE 699 Cb 0.14 -1.65 -0.07 0.00 -0.71 0.00 0.00 39.64 37.36 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 0.46 -0.15 0.38 -0.58 0.99 -5.09 120.64 113.22 3cda n GLU 700 Ca -0.33 -0.05 0.02 0.00 -0.42 0.00 0.00 57.16 56.37 3cda n GLU 700 Cb 1.04 -1.60 -0.01 0.00 -0.57 0.00 0.00 31.44 30.30 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 1.31 -2.73 3.42 0.62 0.00 -0.45 -5.02 105.19 102.33 3cda n GLY 701 Ca -0.00 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.49 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 -3.26 0.60 7.53 1.61 3.52 -1.03 -4.74 118.95 123.18 3cda s ARG 702 Ca 0.00 0.73 0.00 0.00 -0.13 0.00 0.00 55.73 56.33 3cda s ARG 702 Cb 0.00 0.28 0.00 0.00 -1.56 0.00 0.00 34.95 33.67 3cda s ARG 702 CO 0.00 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 174.82 3cda n GLY 703 N 2.87 3.58 3.38 8.12 0.00 -0.38 -3.42 105.19 119.34 3cda n GLY 703 Ca -0.14 0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 3.50 -0.21 1.61 3.01 0.22 -0.97 119.74 126.90 3cda s LYS 704 Ca 0.00 -0.57 -0.15 0.00 -1.01 0.00 0.00 55.97 54.25 3cda s LYS 704 Cb 0.00 -3.06 -0.04 0.00 -1.01 0.00 0.00 37.83 33.72 3cda s LYS 704 CO 0.00 -0.10 0.34 -1.12 0.51 0.00 0.00 175.35 174.98 3cda s SER 705 N 1.28 6.37 0.09 2.83 0.01 -0.87 -0.83 113.70 122.58 3cda s SER 705 Ca 0.04 0.43 0.05 0.00 1.31 0.00 0.00 55.95 57.77 3cda s SER 705 Cb -0.15 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.85 3cda s SER 705 CO -0.00 -0.04 -0.14 -0.69 0.41 0.00 0.00 173.24 172.79 3cda s VAL 706 N 1.22 1.13 0.03 3.43 1.01 -0.56 0.45 120.40 127.11 3cda s VAL 706 Ca 0.16 -1.44 0.06 0.00 0.00 0.00 0.00 61.98 60.76 3cda s VAL 706 Cb -0.14 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 3cda s VAL 706 CO 0.07 -0.31 -0.17 0.54 0.00 0.00 0.00 175.10 175.22 3cda s VAL 707 N -1.62 1.39 0.10 2.92 0.11 -0.66 -0.72 120.40 121.92 3cda s VAL 707 Ca 0.01 -1.00 0.03 0.00 -2.93 0.00 0.00 61.98 58.10 3cda s VAL 707 Cb -0.08 -1.21 -0.04 0.00 -1.53 0.00 0.00 36.38 33.53 3cda s VAL 707 CO 0.02 0.19 -0.09 0.00 -3.33 0.00 0.00 175.10 171.89 3cda s GLU 709 N -2.99 1.42 -0.14 0.00 -1.05 -0.26 -1.69 118.70 113.98 3cda s GLU 709 Ca 0.07 -0.77 -0.30 0.00 -0.15 0.00 0.00 54.97 53.82 3cda s GLU 709 Cb -0.01 0.56 0.11 0.00 -0.44 0.00 0.00 34.13 34.35 3cda s GLU 709 CO -0.01 -0.62 0.92 0.00 0.95 0.00 0.00 175.26 176.50 3cda s ALA 710 N -3.84 -1.89 -0.16 -0.84 0.00 -0.57 -1.59 121.76 112.86 3cda s ALA 710 Ca 0.07 1.55 -0.04 0.00 0.00 0.00 0.00 51.96 53.54 3cda s ALA 710 Cb -0.02 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 3cda s ALA 710 CO -0.04 -0.32 -0.04 0.08 0.00 0.00 0.00 175.76 175.44 3cda s VAL 711 N -1.03 3.84 -0.31 0.00 1.01 -1.26 -1.22 120.40 121.42 3cda s VAL 711 Ca -0.04 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 3cda s VAL 711 Cb -0.01 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.70 3cda s VAL 711 CO 0.03 0.48 0.11 -0.63 0.00 0.00 0.00 175.10 175.09 3cda s ILE 712 N 0.50 4.09 0.35 2.22 -1.09 -0.15 -4.59 121.20 122.51 3cda s ILE 712 Ca -0.03 -0.74 -0.24 0.00 -2.23 0.00 0.00 60.65 57.40 3cda s ILE 712 Cb -0.14 -3.16 -0.15 0.00 -1.58 0.00 0.00 42.46 37.44 3cda s ILE 712 CO 0.03 0.00 0.48 -2.65 -1.23 0.00 0.00 174.94 171.57 3cda n PRO 713 N 4.89 0.38 -0.36 2.79 -0.02 -1.26 -1.32 135.00 140.10 3cda n PRO 713 Ca -0.14 0.14 0.05 0.00 -2.02 0.00 0.00 63.50 61.53 3cda n PRO 713 Cb 0.47 -1.30 0.22 0.00 -0.02 0.00 0.00 33.50 32.88 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 0.88 1.49 -0.50 3.55 0.00 -1.93 -1.47 119.26 121.27 3cda h ALA 714 Ca -0.36 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.62 3cda h ALA 714 Cb 1.41 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 3cda h ALA 714 CO 0.53 0.31 0.15 -0.22 0.00 0.00 0.00 179.25 180.02 3cda h LYS 715 N 1.06 0.30 -0.45 0.00 3.64 -1.90 -2.33 116.57 116.89 3cda h LYS 715 Ca 0.46 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.71 3cda h LYS 715 Cb 0.35 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3cda h LYS 715 CO -0.22 0.20 -0.16 0.28 -2.27 0.00 0.00 179.45 177.28 3cda h VAL 716 N 0.31 1.27 -0.78 2.00 2.07 -1.63 -1.52 116.25 117.97 3cda h VAL 716 Ca 0.25 -1.30 0.03 0.00 0.82 0.00 0.00 66.70 66.49 3cda h VAL 716 Cb 0.29 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3cda h VAL 716 CO -0.28 0.44 0.52 0.58 0.02 0.00 0.00 177.57 178.85 3cda h VAL 717 N 0.74 1.15 0.13 2.57 2.07 -1.18 0.78 116.25 122.50 3cda h VAL 717 Ca 0.11 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3cda h VAL 717 Cb 0.72 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3cda h VAL 717 CO 0.05 0.18 -0.06 0.03 0.02 0.00 0.00 177.57 177.79 3cda h ARG 718 N 0.99 -0.17 0.05 1.57 3.08 -1.22 -2.20 114.38 116.48 3cda h ARG 718 Ca 0.31 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 3cda h ARG 718 Cb -0.00 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3cda h ARG 718 CO -0.08 0.29 -0.02 0.93 -1.07 0.00 0.00 179.97 180.02 3cda h GLU 719 N -0.78 -0.06 0.05 0.04 5.08 -1.10 -2.54 114.58 115.28 3cda h GLU 719 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3cda h GLU 719 Cb 0.54 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3cda h GLU 719 CO 0.03 0.58 -0.03 0.28 -1.00 0.00 0.00 179.01 178.88 3cda h VAL 720 N -0.85 1.16 -0.02 3.13 2.07 -1.04 -3.37 116.25 117.33 3cda h VAL 720 Ca -0.01 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.91 3cda h VAL 720 Cb 0.67 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 3cda h VAL 720 CO 0.01 0.35 -0.08 0.18 0.02 0.00 0.00 177.57 178.05 3cda n LEU 721 N -4.77 1.70 -2.55 2.57 4.77 -1.02 -4.96 117.00 112.75 3cda n LEU 721 Ca -0.08 -0.56 -0.21 0.00 -0.03 0.00 0.00 56.01 55.14 3cda n LEU 721 Cb 0.31 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3cda n LEU 721 CO 0.26 0.29 -0.20 0.29 -1.33 0.00 0.00 177.39 176.70 3cda n LYS 722 N 0.20 -2.43 -1.24 3.23 4.76 -0.86 -4.62 118.16 117.21 3cda n LYS 722 Ca 0.16 0.96 0.00 0.00 -2.87 0.00 0.00 58.31 56.56 3cda n LYS 722 Cb 0.40 -5.67 0.00 0.00 -1.84 0.00 0.00 35.03 27.93 3cda n LYS 722 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 3cda n THR 723 N -4.08 0.00 -4.39 -0.18 5.66 -1.02 -4.73 114.28 105.54 3cda n THR 723 Ca -0.21 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.59 3cda n THR 723 Cb 0.67 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.35 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 -2.21 1.67 0.12 1.09 -4.23 -1.26 -3.25 115.64 107.56 3cda s THR 724 Ca 0.00 -2.16 -0.20 0.00 -1.18 0.00 0.00 61.69 58.14 3cda s THR 724 Cb 0.00 -2.26 -0.07 0.00 1.34 0.00 0.00 72.50 71.51 3cda s THR 724 CO 0.00 -0.44 1.75 0.74 -0.54 0.00 0.00 174.62 176.14 3cda h THR 725 N 2.42 0.98 -0.81 3.99 2.02 -1.91 -1.86 112.91 117.73 3cda h THR 725 Ca -0.39 -0.05 0.13 0.00 0.77 0.00 0.00 66.41 66.87 3cda h THR 725 Cb 1.23 0.81 -0.09 0.00 -1.74 0.00 0.00 68.15 68.36 3cda h THR 725 CO 0.65 0.03 0.41 -0.08 0.37 0.00 0.00 175.52 176.89 3cda h GLU 726 N 0.16 0.59 -0.34 6.66 4.81 -1.93 -1.99 114.58 122.54 3cda h GLU 726 Ca 0.07 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 3cda h GLU 726 Cb 0.02 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3cda h GLU 726 CO -0.06 0.39 -0.19 0.00 -0.73 0.00 0.00 179.01 178.43 3cda h ALA 727 N 1.53 0.48 -0.47 2.92 0.00 -1.90 -2.80 119.26 119.02 3cda h ALA 727 Ca 0.44 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3cda h ALA 727 Cb 0.59 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3cda h ALA 727 CO -0.35 0.41 0.27 0.52 0.00 0.00 0.00 179.25 180.10 3cda h MET 728 N 0.50 0.52 -0.54 0.00 2.86 -0.68 -1.69 114.93 115.89 3cda h MET 728 Ca 0.07 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 3cda h MET 728 Cb 0.73 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 3cda h MET 728 CO 0.05 0.34 0.16 0.82 1.06 0.00 0.00 176.91 179.35 3cda h ILE 729 N 0.53 1.24 -0.55 -1.22 2.04 -1.39 0.06 117.51 118.22 3cda h ILE 729 Ca 0.20 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 3cda h ILE 729 Cb 0.05 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3cda h ILE 729 CO -0.11 0.30 0.20 -0.08 0.00 0.00 0.00 178.15 178.46 3cda h GLU 730 N 0.75 0.84 -0.33 2.37 4.81 -1.28 -1.15 114.58 120.59 3cda h GLU 730 Ca 0.17 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 3cda h GLU 730 Cb 0.29 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3cda h GLU 730 CO -0.00 0.74 -0.03 0.28 -0.73 0.00 0.00 179.01 179.27 3cda h VAL 731 N 0.76 1.27 -0.36 0.32 2.07 -1.11 -2.50 116.25 116.70 3cda h VAL 731 Ca 0.18 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 3cda h VAL 731 Cb 0.23 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3cda h VAL 731 CO -0.01 0.34 0.17 -1.13 0.02 0.00 0.00 177.57 176.95 3cda h ASN 732 N 0.41 0.47 -0.07 0.57 -1.24 -0.79 0.18 115.58 115.11 3cda h ASN 732 Ca 0.09 -0.13 0.01 0.00 0.71 0.00 0.00 56.30 56.98 3cda h ASN 732 Cb 0.50 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 3cda h ASN 732 CO 0.02 0.47 0.02 0.40 -1.29 0.00 0.00 177.43 177.05 3cda h ILE 733 N 0.44 0.98 0.00 2.57 2.04 -1.25 -0.19 117.51 122.10 3cda h ILE 733 Ca 0.12 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.97 3cda h ILE 733 Cb 0.13 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3cda h ILE 733 CO -0.01 0.01 -0.61 0.59 0.00 0.00 0.00 178.15 178.12 3cda n ASN 734 N -5.08 0.60 -0.05 1.72 3.02 -0.94 -0.29 115.26 114.23 3cda n ASN 734 Ca -0.06 -0.03 -0.05 0.00 -0.03 0.00 0.00 54.58 54.41 3cda n ASN 734 Cb 0.05 0.24 -0.02 0.00 -0.61 0.00 0.00 39.78 39.44 3cda n ASN 734 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3cda n LYS 735 N -1.87 0.30 0.09 3.52 4.81 0.61 -2.38 118.16 123.24 3cda n LYS 735 Ca 0.04 0.16 -0.05 0.00 -0.87 0.00 0.00 58.31 57.59 3cda n LYS 735 Cb 0.40 -1.06 0.01 0.00 0.02 0.00 0.00 35.03 34.39 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 -0.57 0.00 0.00 3.14 2.35 -1.17 -1.97 115.58 117.36 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 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3cda h ASN 736 CO 0.00 0.83 -0.15 0.18 -1.65 0.00 0.00 177.43 176.65 3cda n LEU 737 N -3.55 0.40 -0.10 1.61 4.77 -1.05 -4.14 117.00 114.95 3cda n LEU 737 Ca -0.00 0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 56.08 3cda n LEU 737 Cb 0.80 -0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 3cda n LEU 737 CO 0.45 -0.48 0.60 0.58 -1.33 0.00 0.00 177.39 177.21 3cda h VAL 738 N -0.21 1.30 -0.25 4.08 2.07 -0.83 -0.94 116.25 121.48 3cda h VAL 738 Ca 0.00 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 3cda h VAL 738 Cb 0.15 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3cda h VAL 738 CO 0.00 0.44 0.09 1.23 0.02 0.00 0.00 177.57 179.35 3cda h GLY 739 N 0.41 0.40 1.39 2.17 0.00 -1.07 -0.91 103.07 105.47 3cda h GLY 739 Ca 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 3cda h GLY 739 CO 0.06 0.21 0.22 1.76 0.00 0.00 0.00 176.54 178.79 3cda h SER 740 N 0.24 0.72 -0.64 0.19 0.02 -1.29 -2.17 113.55 110.62 3cda h SER 740 Ca 0.08 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 3cda h SER 740 Cb 0.20 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 3cda h SER 740 CO -0.00 0.65 0.13 0.00 -1.14 0.00 0.00 176.83 176.47 3cda h ALA 741 N 1.46 0.84 0.00 3.77 0.00 -0.82 -1.57 119.26 122.93 3cda h ALA 741 Ca 0.19 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3cda h ALA 741 Cb 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3cda h ALA 741 CO -0.02 0.58 -0.41 0.52 0.00 0.00 0.00 179.25 179.92 3cda h MET 742 N 0.95 0.00 0.00 0.00 2.86 -0.67 -2.43 114.93 115.64 3cda h MET 742 Ca 0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 3cda h MET 742 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3cda h MET 742 CO 0.01 0.41 -0.02 0.00 1.06 0.00 0.00 176.91 178.36 3cda n ALA 743 N -2.44 2.35 -2.08 6.32 0.00 -0.86 -4.94 120.51 118.86 3cda n ALA 743 Ca -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 53.44 53.32 3cda n ALA 743 Cb 0.45 -1.46 0.01 0.00 0.00 0.00 0.00 19.45 18.45 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 1.44 0.41 3.79 0.00 0.00 -0.91 -5.03 105.19 104.88 3cda n GLY 744 Ca 0.06 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.13 6.96 -0.28 1.61 0.15 -0.63 -5.04 113.70 113.33 3cda s SER 745 Ca 0.01 1.15 -0.04 0.00 0.70 0.00 0.00 55.95 57.76 3cda s SER 745 Cb -0.00 -2.34 0.02 0.00 -1.71 0.00 0.00 66.02 62.00 3cda s SER 745 CO 0.08 0.21 0.02 -0.63 1.20 0.00 0.00 173.24 174.12 3cda s ILE 746 N -0.69 3.41 0.00 6.45 -1.09 -1.26 -4.71 121.20 123.31 3cda s ILE 746 Ca 0.28 -0.95 0.00 0.00 -2.23 0.00 0.00 60.65 57.75 3cda s ILE 746 Cb -0.18 -2.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 3cda s ILE 746 CO 0.17 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.56 3cda n GLY 747 N 4.75 0.99 2.55 6.18 0.00 -1.26 -4.94 105.19 113.47 3cda n GLY 747 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 3cda n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cda n GLY 748 N -2.00 5.89 2.58 -0.02 0.00 -1.26 -1.73 105.19 108.65 3cda n GLY 748 Ca 0.00 -2.62 -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 -0.57 2.63 -3.98 1.61 4.02 -0.90 -4.83 117.16 115.14 3cda n TYR 749 Ca 0.47 -2.61 -0.11 0.00 -0.01 0.00 0.00 57.90 55.63 3cda n TYR 749 Cb 0.56 -1.48 -0.03 0.00 -0.02 0.00 0.00 39.34 38.38 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 -0.50 0.34 -0.16 7.72 2.20 -1.25 -1.37 114.94 121.92 3cda s ASN 750 Ca 0.47 -1.20 -0.12 0.00 -0.94 0.00 0.00 52.86 51.08 3cda s ASN 750 Cb 0.22 0.69 -0.07 0.00 -2.00 0.00 0.00 41.25 40.09 3cda s ASN 750 CO -0.14 -1.35 -0.08 0.00 -2.94 0.00 0.00 177.10 172.59 3cda h ALA 751 N 2.12 0.06 -0.06 3.54 0.00 -1.94 -3.46 119.26 119.52 3cda h ALA 751 Ca -0.28 -0.66 -0.18 0.00 0.00 0.00 0.00 54.91 53.79 3cda h ALA 751 Cb 1.25 0.55 -0.19 0.00 0.00 0.00 0.00 17.79 19.40 3cda h ALA 751 CO 0.37 0.54 -0.40 -2.39 0.00 0.00 0.00 179.25 177.38 3cda n HIS 752 N -4.58 -1.54 -0.35 0.00 1.44 -1.26 -4.95 115.22 103.99 3cda n HIS 752 Ca -0.13 -1.75 0.23 0.00 -2.01 0.00 0.00 57.72 54.06 3cda n HIS 752 Cb 0.35 1.28 0.47 0.00 0.12 0.00 0.00 29.99 32.21 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 1.21 2.08 -0.97 1.59 0.00 -1.89 0.04 119.26 121.32 3cda h ALA 753 Ca -0.41 0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.67 3cda h ALA 753 Cb 1.30 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 3cda h ALA 753 CO -0.14 -0.57 0.63 0.00 0.00 0.00 0.00 179.25 179.17 3cda h ALA 754 N 1.70 1.41 -0.46 0.00 0.00 -1.93 -0.94 119.26 119.05 3cda h ALA 754 Ca 0.66 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.61 3cda h ALA 754 Cb 1.55 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 3cda h ALA 754 CO -0.43 0.46 0.09 -0.91 0.00 0.00 0.00 179.25 178.47 3cda h ASN 755 N 1.16 0.00 -0.06 0.00 2.35 -1.38 -1.28 115.58 116.37 3cda h ASN 755 Ca 0.40 0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 56.12 3cda h ASN 755 Cb 0.10 0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.59 3cda h ASN 755 CO -0.14 0.03 -0.41 0.40 -1.65 0.00 0.00 177.43 175.66 3cda h ILE 756 N 0.22 1.41 -0.61 2.81 5.03 -1.46 -2.74 117.51 122.18 3cda h ILE 756 Ca 0.23 -1.82 0.06 0.00 -0.12 0.00 0.00 64.86 63.20 3cda h ILE 756 Cb 0.29 2.35 -0.05 0.00 -3.03 0.00 0.00 36.82 36.38 3cda h ILE 756 CO -0.30 0.53 0.31 0.58 -0.68 0.00 0.00 178.15 178.60 3cda h VAL 757 N -0.09 0.93 -0.38 1.67 2.07 -1.13 -1.43 116.25 117.89 3cda h VAL 757 Ca -0.03 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 3cda h VAL 757 Cb 1.08 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3cda h VAL 757 CO 0.08 0.11 -0.06 0.74 0.02 0.00 0.00 177.57 178.46 3cda h THR 758 N 0.58 1.27 -0.32 2.57 2.02 -1.26 -0.34 112.91 117.42 3cda h THR 758 Ca 0.28 -1.11 -0.04 0.00 0.77 0.00 0.00 66.41 66.31 3cda h THR 758 Cb 0.20 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3cda h THR 758 CO -0.19 0.37 0.04 0.00 0.37 0.00 0.00 175.52 176.10 3cda h ALA 759 N 0.85 0.43 -0.51 6.16 0.00 -1.22 -1.06 119.26 123.91 3cda h ALA 759 Ca 0.10 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3cda h ALA 759 Cb 0.55 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3cda h ALA 759 CO 0.03 0.15 -0.05 0.82 0.00 0.00 0.00 179.25 180.20 3cda h ILE 760 N 0.37 1.26 -0.39 0.00 2.04 -1.23 0.11 117.51 119.66 3cda h ILE 760 Ca 0.10 -1.13 -0.05 0.00 1.00 0.00 0.00 64.86 64.78 3cda h ILE 760 Cb 0.38 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3cda h ILE 760 CO 0.01 0.40 0.03 1.88 0.00 0.00 0.00 178.15 180.47 3cda h TYR 761 N 0.81 0.72 -0.51 1.37 -1.99 -0.77 -0.07 116.97 116.52 3cda h TYR 761 Ca 0.14 -0.11 -0.12 0.00 2.00 0.00 0.00 58.73 60.64 3cda h TYR 761 Cb 0.55 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 39.07 3cda h TYR 761 CO 0.03 0.73 -0.17 0.82 -0.00 0.00 0.00 178.16 179.57 3cda h ILE 762 N 0.50 1.27 0.00 -2.88 2.04 -1.19 -0.01 117.51 117.24 3cda h ILE 762 Ca 0.11 -1.33 -0.07 0.00 1.00 0.00 0.00 64.86 64.58 3cda h ILE 762 Cb 0.42 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3cda h ILE 762 CO 0.01 0.46 -0.31 0.00 0.00 0.00 0.00 178.15 178.31 3cda h ALA 763 N 0.92 1.44 -0.20 1.87 0.00 -1.14 -3.22 119.26 118.92 3cda h ALA 763 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3cda h ALA 763 Cb 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3cda h ALA 763 CO 0.06 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.70 3cda n GLY 765 N -0.63 0.73 3.93 0.00 0.00 -0.94 -4.58 105.19 103.70 3cda n GLY 765 Ca 0.19 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.06 1.78 -0.71 1.61 -1.52 -0.06 -2.46 119.66 115.25 3cda s GLN 766 Ca 0.00 -0.29 -0.23 0.00 -1.95 0.00 0.00 55.36 52.89 3cda s GLN 766 Cb 0.00 -2.07 0.06 0.00 -0.22 0.00 0.00 33.01 30.78 3cda s GLN 766 CO 0.00 -1.57 1.07 0.34 -0.25 0.00 0.00 175.29 174.87 3cda s ASP 767 N -4.63 6.21 0.59 5.90 -1.08 -1.26 -4.72 116.67 117.69 3cda s ASP 767 Ca 0.64 -0.96 0.35 0.00 -0.52 0.00 0.00 52.55 52.06 3cda s ASP 767 Cb -0.09 -2.46 1.87 0.00 -1.46 0.00 0.00 42.92 40.79 3cda s ASP 767 CO 0.47 -1.51 2.21 0.00 0.52 0.00 0.00 175.17 176.86 3cda h ALA 768 N 9.64 1.18 0.00 3.66 0.00 -1.94 -0.52 119.26 131.28 3cda h ALA 768 Ca -0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3cda h ALA 768 Cb 1.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3cda h ALA 768 CO 1.21 0.05 -0.08 0.00 0.00 0.00 0.00 179.25 180.42 3cda h ALA 769 N 1.96 1.39 0.00 0.00 0.00 -2.01 -1.87 119.26 118.73 3cda h ALA 769 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3cda h ALA 769 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3cda h ALA 769 CO 0.00 0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.40 3cda n GLN 770 N -3.75 0.73 -0.21 0.00 6.02 -0.20 -2.99 117.38 116.98 3cda n GLN 770 Ca -0.02 0.00 0.24 0.00 -0.01 0.00 0.00 57.00 57.20 3cda n GLN 770 Cb 0.18 -1.47 0.61 0.00 1.02 0.00 0.00 30.24 30.58 3cda n GLN 770 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 3cda h ASN 771 N 0.00 0.21 0.08 1.08 -1.24 -1.49 -0.82 115.58 113.41 3cda h ASN 771 Ca 0.00 0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.05 3cda h ASN 771 Cb 0.00 -0.01 -0.05 0.00 0.73 0.00 0.00 38.32 38.99 3cda h ASN 771 CO 0.00 0.08 -0.51 0.58 -1.29 0.00 0.00 177.43 176.29 3cda h VAL 772 N 0.21 0.00 0.09 2.57 2.07 -1.78 -2.23 116.25 117.18 3cda h VAL 772 Ca 0.45 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.67 3cda h VAL 772 Cb 1.43 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3cda h VAL 772 CO -0.10 0.00 -1.53 1.23 0.02 0.00 0.00 177.57 177.19 3cda h GLY 773 N -0.69 0.22 2.00 2.17 0.00 -1.82 -3.37 103.07 101.58 3cda h GLY 773 Ca -0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 3cda h GLY 773 CO -0.29 0.48 -0.13 1.76 0.00 0.00 0.00 176.54 178.36 3cda h SER 774 N 0.05 0.00 0.71 0.19 0.02 -1.06 -2.46 113.55 111.00 3cda h SER 774 Ca -0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3cda h SER 774 Cb 1.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.53 3cda h SER 774 CO 0.14 0.13 0.00 -1.20 -1.14 0.00 0.00 176.83 174.76 3cda n SER 775 N -3.55 0.00 -4.65 3.07 7.64 -0.84 -4.47 113.62 110.83 3cda n SER 775 Ca -0.01 0.40 -0.52 0.00 1.01 0.00 0.00 58.87 59.75 3cda n SER 775 Cb 0.27 -0.46 -0.06 0.00 -1.01 0.00 0.00 64.21 62.95 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 -1.46 2.33 -3.63 6.43 3.02 -0.93 -4.54 115.26 116.49 3cda n ASN 776 Ca 0.06 1.08 -0.13 0.00 -0.03 0.00 0.00 54.58 55.57 3cda n ASN 776 Cb 0.25 -1.25 -0.07 0.00 -0.61 0.00 0.00 39.78 38.10 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 0.26 1.86 -0.26 0.00 2.07 -0.55 -2.11 121.20 122.47 3cda s ILE 778 Ca 0.00 -0.82 -0.10 0.00 -1.41 0.00 0.00 60.65 58.32 3cda s ILE 778 Cb -0.05 -1.70 -0.05 0.00 0.13 0.00 0.00 42.46 40.79 3cda s ILE 778 CO -0.00 0.51 0.17 -0.89 -1.91 0.00 0.00 174.94 172.81 3cda s THR 779 N 1.33 5.27 -0.04 4.00 2.01 -0.47 -1.75 115.64 125.99 3cda s THR 779 Ca 0.04 0.15 0.06 0.00 0.31 0.00 0.00 61.69 62.26 3cda s THR 779 Cb -0.13 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 68.89 3cda s THR 779 CO -0.11 0.31 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.13 3cda s LEU 780 N 1.35 2.04 -0.03 4.42 1.43 0.11 -4.88 118.68 123.12 3cda s LEU 780 Ca 0.07 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 3cda s LEU 780 Cb -0.15 -1.26 0.01 0.00 0.03 0.00 0.00 46.19 44.82 3cda s LEU 780 CO 0.07 0.25 -0.08 -0.04 0.23 0.00 0.00 176.35 176.78 3cda s MET 781 N -0.26 0.92 0.18 1.70 -1.94 -1.26 -0.86 119.30 117.78 3cda s MET 781 Ca 0.00 -0.24 -0.12 0.00 -1.71 0.00 0.00 55.69 53.62 3cda s MET 781 Cb -0.12 -0.87 0.01 0.00 2.01 0.00 0.00 34.83 35.86 3cda s MET 781 CO 0.02 0.05 0.38 -1.83 -0.01 0.00 0.00 175.02 173.63 3cda s GLU 782 N 0.40 1.25 0.48 2.03 -1.05 -0.74 -4.82 118.70 116.25 3cda s GLU 782 Ca -0.06 -1.05 -0.22 0.00 -0.15 0.00 0.00 54.97 53.49 3cda s GLU 782 Cb -0.10 0.43 -0.07 0.00 -0.44 0.00 0.00 34.13 33.95 3cda s GLU 782 CO 0.01 -0.49 1.17 0.00 0.95 0.00 0.00 175.26 176.90 3cda s ALA 783 N -3.93 2.90 0.09 -0.84 0.00 -1.26 -0.94 121.76 117.78 3cda s ALA 783 Ca 0.14 0.94 -0.10 0.00 0.00 0.00 0.00 51.96 52.94 3cda s ALA 783 Cb 0.02 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.75 3cda s ALA 783 CO -0.01 -0.73 0.22 0.45 0.00 0.00 0.00 175.76 175.68 3cda s SER 784 N -1.41 0.07 0.00 0.00 0.15 0.29 -4.72 113.70 108.07 3cda s SER 784 Ca 0.66 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.72 3cda s SER 784 Cb -0.28 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 3cda s SER 784 CO 0.34 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.66 3cda n GLY 785 N -0.04 -2.88 0.25 9.45 0.00 -1.26 -2.50 105.19 108.21 3cda n GLY 785 Ca -0.15 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.28 0.00 1.61 0.13 -2.01 -2.82 132.00 128.63 3cda h PRO 786 Ca 0.00 0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.11 3cda h PRO 786 Cb 0.00 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.19 3cda h PRO 786 CO 0.00 -0.18 -0.19 1.15 -0.23 0.00 0.00 178.00 178.54 3cda h THR 787 N -0.29 0.50 -2.24 1.56 2.02 -2.01 -3.46 112.91 108.99 3cda h THR 787 Ca 0.09 -1.00 -0.32 0.00 0.77 0.00 0.00 66.41 65.95 3cda h THR 787 Cb 0.41 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 3cda h THR 787 CO -0.25 0.19 -0.41 -3.20 0.37 0.00 0.00 175.52 172.22 3cda n ASN 788 N -3.38 -4.74 -0.08 4.18 4.05 -1.07 -4.91 115.26 109.31 3cda n ASN 788 Ca -0.00 -0.01 0.03 0.00 0.45 0.00 0.00 54.58 55.05 3cda n ASN 788 Cb 0.40 -3.86 -0.02 0.00 1.23 0.00 0.00 39.78 37.53 3cda n ASN 788 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 3cda n GLU 789 N -2.52 3.49 -3.24 1.20 2.13 -1.22 -4.50 120.64 115.98 3cda n GLU 789 Ca -0.19 -0.26 -0.32 0.00 0.66 0.00 0.00 57.16 57.06 3cda n GLU 789 Cb 0.64 -0.91 -0.05 0.00 0.27 0.00 0.00 31.44 31.38 3cda n GLU 789 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3cda s ASP 790 N -1.39 6.67 -0.44 4.31 1.01 -1.04 -4.13 116.67 121.67 3cda s ASP 790 Ca 0.04 1.09 -0.13 0.00 0.71 0.00 0.00 52.55 54.26 3cda s ASP 790 Cb 0.06 -2.30 0.06 0.00 1.01 0.00 0.00 42.92 41.75 3cda s ASP 790 CO 0.23 -0.17 0.33 -0.22 0.21 0.00 0.00 175.17 175.56 3cda s LEU 791 N -3.01 5.34 0.09 1.23 2.96 -0.43 -0.55 118.68 124.30 3cda s LEU 791 Ca 0.51 -1.30 -0.30 0.00 -0.22 0.00 0.00 54.13 52.82 3cda s LEU 791 Cb -0.11 -2.11 -0.06 0.00 0.50 0.00 0.00 46.19 44.42 3cda s LEU 791 CO 0.21 -0.57 1.10 -0.47 -1.32 0.00 0.00 176.35 175.29 3cda s TYR 792 N 1.57 3.57 -0.01 5.38 5.04 -0.12 -0.98 117.35 131.81 3cda s TYR 792 Ca 0.04 1.53 0.03 0.00 -2.44 0.00 0.00 57.07 56.22 3cda s TYR 792 Cb -0.23 -3.27 -0.00 0.00 0.35 0.00 0.00 41.96 38.81 3cda s TYR 792 CO 0.06 -0.64 -0.09 -1.50 -1.34 0.00 0.00 175.55 172.04 3cda s ILE 793 N 0.57 0.73 0.02 3.14 2.07 -0.36 -1.80 121.20 125.57 3cda s ILE 793 Ca 0.53 -0.37 0.01 0.00 -1.41 0.00 0.00 60.65 59.42 3cda s ILE 793 Cb -0.27 -0.63 -0.02 0.00 0.13 0.00 0.00 42.46 41.68 3cda s ILE 793 CO 0.31 0.22 -0.05 -0.94 -1.91 0.00 0.00 174.94 172.56 3cda s SER 794 N -0.03 0.55 -0.12 4.50 1.04 -0.04 -1.51 113.70 118.09 3cda s SER 794 Ca 0.01 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.04 3cda s SER 794 Cb -0.06 0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.12 3cda s SER 794 CO -0.00 -0.16 -0.10 0.00 0.98 0.00 0.00 173.24 173.96 3cda s THR 796 N 1.54 3.31 -0.37 0.00 2.01 -0.71 -0.95 115.64 120.45 3cda s THR 796 Ca 0.03 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.49 3cda s THR 796 Cb -0.13 -2.44 0.12 0.00 0.01 0.00 0.00 72.50 70.06 3cda s THR 796 CO -0.08 0.48 0.18 -0.04 -0.69 0.00 0.00 174.62 174.48 3cda s MET 797 N 0.77 0.93 0.12 4.92 -1.94 0.11 -1.48 119.30 122.73 3cda s MET 797 Ca -0.03 -1.52 0.23 0.00 -1.71 0.00 0.00 55.69 52.66 3cda s MET 797 Cb -0.15 -2.01 0.91 0.00 2.01 0.00 0.00 34.83 35.59 3cda s MET 797 CO 0.02 -1.10 1.72 -2.30 -0.01 0.00 0.00 175.02 173.35 3cda n PRO 798 N 4.13 0.12 -2.70 2.03 -0.02 -1.26 -1.49 135.00 135.81 3cda n PRO 798 Ca 0.05 0.23 -0.11 0.00 -2.02 0.00 0.00 63.50 61.64 3cda n PRO 798 Cb 0.38 -1.68 0.02 0.00 -0.02 0.00 0.00 33.50 32.20 3cda n PRO 798 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3cda n SER 799 N -1.90 1.66 -4.59 2.55 3.41 -1.24 -2.45 113.62 111.05 3cda n SER 799 Ca 0.04 -2.82 -0.43 0.00 -0.26 0.00 0.00 58.87 55.40 3cda n SER 799 Cb 0.29 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.69 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 -3.25 4.00 -0.34 -1.33 1.01 -0.01 -3.05 121.20 118.24 3cda s ILE 800 Ca 0.30 0.98 -0.16 0.00 0.00 0.00 0.00 60.65 61.78 3cda s ILE 800 Cb 0.44 -4.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 3cda s ILE 800 CO 0.01 -1.00 0.38 -1.61 0.00 0.00 0.00 174.94 172.72 3cda s GLU 801 N 4.88 3.57 0.23 2.79 2.02 -1.26 -0.61 118.70 130.31 3cda s GLU 801 Ca 0.53 -0.39 -0.18 0.00 0.02 0.00 0.00 54.97 54.95 3cda s GLU 801 Cb -0.10 -3.80 0.02 0.00 0.10 0.00 0.00 34.13 30.35 3cda s GLU 801 CO 0.30 -0.54 0.58 -1.50 0.02 0.00 0.00 175.26 174.13 3cda s ILE 802 N 2.06 0.01 0.00 -1.63 2.07 -1.26 -4.89 121.20 117.57 3cda s ILE 802 Ca 0.13 -0.88 0.00 0.00 -1.41 0.00 0.00 60.65 58.48 3cda s ILE 802 Cb -0.16 -1.76 0.00 0.00 0.13 0.00 0.00 42.46 40.66 3cda s ILE 802 CO 0.12 -0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.71 3cda n GLY 803 N -0.39 0.98 0.08 1.50 0.00 -1.26 -3.52 105.19 102.58 3cda n GLY 803 Ca -0.07 -0.59 0.01 0.00 0.00 0.00 0.00 46.02 45.37 3cda n GLY 803 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cda n THR 804 N -0.11 0.00 -4.53 2.61 -2.24 0.96 -4.81 114.28 106.16 3cda n THR 804 Ca 0.00 -0.48 -0.30 0.00 -2.27 0.00 0.00 64.05 61.01 3cda n THR 804 Cb 0.00 1.04 -0.13 0.00 -2.10 0.00 0.00 70.33 69.14 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 -0.60 2.49 0.00 2.28 1.01 -1.15 -2.32 120.40 122.11 3cda s VAL 805 Ca 0.03 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.50 3cda s VAL 805 Cb 0.02 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.33 3cda s VAL 805 CO 0.06 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.97 3cda n GLY 806 N 1.18 -0.75 7.00 4.51 0.00 -1.26 -4.16 105.19 111.71 3cda n GLY 806 Ca -0.17 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.19 3cda n GLY 806 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cda n GLY 807 N -0.72 3.20 0.27 -0.02 0.00 -1.26 -2.10 105.19 104.56 3cda n GLY 807 Ca 0.00 0.02 0.16 0.00 0.00 0.00 0.00 46.02 46.20 3cda n GLY 807 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3cda h GLY 808 N 0.00 0.00 1.30 -0.02 0.00 -1.86 -2.79 103.07 99.70 3cda h GLY 808 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3cda h GLY 808 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 3cda n THR 809 N -3.15 0.24 0.40 4.70 -2.24 -0.89 -2.37 114.28 110.98 3cda n THR 809 Ca 0.00 0.06 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 3cda n THR 809 Cb 0.32 -0.76 0.36 0.00 -2.10 0.00 0.00 70.33 68.14 3cda n THR 809 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3cda h ASN 810 N 0.00 0.00 -3.35 3.42 2.35 -1.60 -3.41 115.58 112.98 3cda h ASN 810 Ca 0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 3cda h ASN 810 Cb 0.09 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 3cda h ASN 810 CO 0.00 0.00 0.02 -0.76 -1.65 0.00 0.00 177.43 175.04 3cda s LEU 811 N -5.38 4.50 0.18 1.61 1.43 -1.00 -4.97 118.68 115.05 3cda s LEU 811 Ca 0.07 1.34 -0.09 0.00 -1.03 0.00 0.00 54.13 54.42 3cda s LEU 811 Cb 0.09 -3.12 0.08 0.00 0.03 0.00 0.00 46.19 43.27 3cda s LEU 811 CO 0.59 0.21 1.67 -0.07 0.23 0.00 0.00 176.35 178.99 3cda h LEU 812 N 4.22 1.03 -0.54 1.79 3.38 -1.89 -1.44 115.31 121.86 3cda h LEU 812 Ca -0.49 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.26 3cda h LEU 812 Cb 1.21 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 3cda h LEU 812 CO 0.64 1.04 0.28 -0.65 0.09 0.00 0.00 178.44 179.85 3cda h PRO 813 N 0.98 0.53 0.00 1.13 0.11 -1.95 -0.44 132.00 132.36 3cda h PRO 813 Ca 0.19 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.19 3cda h PRO 813 Cb 0.46 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 3cda h PRO 813 CO 0.02 0.35 -0.39 -0.56 -0.21 0.00 0.00 178.00 177.21 3cda h GLN 814 N 0.55 0.00 -0.27 1.05 -0.00 -1.74 -2.08 115.11 112.61 3cda h GLN 814 Ca 0.23 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.82 3cda h GLN 814 Cb 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.59 3cda h GLN 814 CO -0.15 0.39 -0.13 1.96 -0.00 0.00 0.00 178.83 180.90 3cda h GLN 815 N 0.00 0.46 -0.44 0.06 4.20 -0.72 -2.06 115.11 116.60 3cda h GLN 815 Ca -0.00 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.59 3cda h GLN 815 Cb 1.04 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 3cda h GLN 815 CO 0.05 0.58 0.28 0.00 -0.67 0.00 0.00 178.83 179.08 3cda h ALA 816 N 1.45 0.56 -0.66 3.87 0.00 -0.37 0.21 119.26 124.32 3cda h ALA 816 Ca 0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3cda h ALA 816 Cb 0.48 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3cda h ALA 816 CO 0.03 -0.01 0.13 0.00 0.00 0.00 0.00 179.25 179.40 3cda h LEU 818 N 1.00 0.76 -0.73 0.00 3.38 -1.01 -2.79 115.31 115.93 3cda h LEU 818 Ca 0.20 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 3cda h LEU 818 Cb 0.41 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3cda h LEU 818 CO 0.01 0.66 -0.45 1.56 0.09 0.00 0.00 178.44 180.30 3cda h GLN 819 N 0.85 0.42 -0.73 1.13 4.20 -0.12 -1.73 115.11 119.12 3cda h GLN 819 Ca 0.21 -0.22 0.15 0.00 0.06 0.00 0.00 58.65 58.85 3cda h GLN 819 Cb 0.10 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 27.78 3cda h GLN 819 CO -0.03 0.79 0.21 0.52 -0.67 0.00 0.00 178.83 179.65 3cda h MET 820 N 0.34 0.31 0.00 1.46 2.86 -0.95 -2.00 114.93 116.95 3cda h MET 820 Ca 0.02 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3cda h MET 820 Cb 0.93 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.52 3cda h MET 820 CO 0.08 0.20 -0.28 1.28 1.06 0.00 0.00 176.91 179.25 3cda n LEU 821 N -5.11 0.44 0.00 1.22 4.77 -1.02 -4.69 117.00 112.60 3cda n LEU 821 Ca 0.14 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 3cda n LEU 821 Cb 0.44 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3cda n LEU 821 CO 0.14 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 3cda n GLY 822 N 1.43 0.40 0.00 -0.72 0.00 -0.75 -4.95 105.19 100.59 3cda n GLY 822 Ca 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.54 0.71 -1.81 1.61 0.24 -0.71 -4.99 118.33 109.85 3cda n VAL 823 Ca 0.00 -0.81 -0.42 0.00 -2.04 0.00 0.00 64.34 61.07 3cda n VAL 823 Cb 0.28 0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 33.29 3cda n VAL 823 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3cda s GLN 824 N -0.71 4.16 1.49 7.34 -0.44 -1.17 -4.73 119.66 125.60 3cda s GLN 824 Ca 0.00 2.51 0.00 0.00 -2.50 0.00 0.00 55.36 55.37 3cda s GLN 824 Cb 0.00 -3.13 0.00 0.00 -1.64 0.00 0.00 33.01 28.24 3cda s GLN 824 CO 0.00 -0.70 0.00 0.41 0.50 0.00 0.00 175.29 175.50 3cda n GLY 825 N 3.90 -1.54 3.79 2.59 0.00 -0.98 -4.86 105.19 108.10 3cda n GLY 825 Ca 0.15 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.37 3.05 -0.31 4.61 0.00 -1.26 -4.61 121.76 121.87 3cda s ALA 826 Ca 0.00 0.58 -0.10 0.00 0.00 0.00 0.00 51.96 52.44 3cda s ALA 826 Cb 0.00 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 3cda s ALA 826 CO 0.00 -0.09 0.16 0.00 0.00 0.00 0.00 175.76 175.82 3cda h LYS 828 N 8.36 0.10 -0.00 0.00 1.79 -2.00 -2.79 116.57 122.03 3cda h LYS 828 Ca -0.32 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 3cda h LYS 828 Cb 1.15 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 3cda h LYS 828 CO 0.61 0.67 -0.05 -0.25 -1.08 0.00 0.00 179.45 179.36 3cda n ASP 829 N -4.71 0.18 -2.82 0.86 8.00 -1.26 -4.27 116.55 112.53 3cda n ASP 829 Ca -0.08 -0.35 -0.10 0.00 0.71 0.00 0.00 54.79 54.96 3cda n ASP 829 Cb 0.34 -0.19 0.03 0.00 -0.02 0.00 0.00 41.12 41.28 3cda n ASP 829 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3cda n ASN 830 N -1.15 -2.51 -4.69 -2.24 5.15 -1.22 -5.13 115.26 103.46 3cda n ASN 830 Ca 0.15 -3.18 -0.53 0.00 -0.60 0.00 0.00 54.58 50.42 3cda n ASN 830 Cb 0.25 1.47 -0.06 0.00 -0.53 0.00 0.00 39.78 40.91 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 1.74 1.71 0.00 1.20 -0.02 -1.06 -1.79 135.00 136.78 3cda n PRO 831 Ca 0.12 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3cda n PRO 831 Cb 0.61 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3cda n PRO 831 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cda n GLY 832 N 4.36 0.94 0.29 -1.23 0.00 -1.26 -4.80 105.19 103.49 3cda n GLY 832 Ca 0.25 0.00 -0.08 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 1.89 0.90 -0.43 1.61 4.57 -1.67 -1.65 114.58 119.81 3cda h GLU 833 Ca 0.00 -0.31 -0.05 0.00 -1.18 0.00 0.00 59.36 57.82 3cda h GLU 833 Cb 0.00 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 3cda h GLU 833 CO 0.00 0.96 0.08 -0.91 -1.18 0.00 0.00 179.01 177.96 3cda h ASN 834 N 0.81 0.67 -0.14 1.04 2.35 -1.87 -0.13 115.58 118.30 3cda h ASN 834 Ca 0.13 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.53 3cda h ASN 834 Cb 0.62 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3cda h ASN 834 CO 0.04 0.75 -0.24 0.00 -1.65 0.00 0.00 177.43 176.33 3cda h ALA 835 N 0.95 1.03 -0.51 -0.83 0.00 -1.80 -0.41 119.26 117.68 3cda h ALA 835 Ca 0.13 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3cda h ALA 835 Cb 0.36 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3cda h ALA 835 CO 0.01 0.58 0.08 0.00 0.00 0.00 0.00 179.25 179.92 3cda h ARG 836 N 0.52 0.84 -0.56 0.00 3.08 -1.12 -1.61 114.38 115.52 3cda h ARG 836 Ca 0.08 -0.23 -0.11 0.00 0.07 0.00 0.00 59.98 59.79 3cda h ARG 836 Cb 0.68 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 3cda h ARG 836 CO 0.05 0.83 -0.09 0.37 -1.07 0.00 0.00 179.97 180.07 3cda h GLN 837 N 0.72 1.05 -0.69 0.04 5.75 -0.68 -1.28 115.11 120.03 3cda h GLN 837 Ca 0.15 -0.38 -0.05 0.00 -0.15 0.00 0.00 58.65 58.22 3cda h GLN 837 Cb 0.40 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 3cda h GLN 837 CO 0.01 1.08 0.23 1.25 -2.65 0.00 0.00 178.83 178.75 3cda h LEU 838 N 0.94 0.97 -0.69 -2.39 5.85 -0.99 -0.87 115.31 118.12 3cda h LEU 838 Ca 0.15 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3cda h LEU 838 Cb 0.66 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3cda h LEU 838 CO 0.05 0.89 0.30 0.00 -0.34 0.00 0.00 178.44 179.33 3cda h ALA 839 N 1.24 0.90 -0.60 1.25 0.00 -0.84 -1.03 119.26 120.18 3cda h ALA 839 Ca 0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3cda h ALA 839 Cb 0.26 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3cda h ALA 839 CO -0.01 0.50 0.24 0.00 0.00 0.00 0.00 179.25 179.98 3cda h ARG 840 N 0.98 0.90 -0.65 0.00 3.08 -0.89 -2.13 114.38 115.67 3cda h ARG 840 Ca 0.23 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 3cda h ARG 840 Cb 0.18 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 3cda h ARG 840 CO -0.02 0.76 0.28 0.82 -1.07 0.00 0.00 179.97 180.74 3cda h ILE 841 N 0.83 1.23 -0.39 2.04 2.04 -0.80 -0.84 117.51 121.63 3cda h ILE 841 Ca 0.20 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 3cda h ILE 841 Cb 0.20 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3cda h ILE 841 CO -0.02 0.28 0.22 0.58 0.00 0.00 0.00 178.15 179.21 3cda h VAL 842 N 0.91 1.14 -0.48 1.67 2.07 -1.04 0.02 116.25 120.54 3cda h VAL 842 Ca 0.22 -0.34 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 3cda h VAL 842 Cb 0.17 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3cda h VAL 842 CO -0.02 0.14 -0.17 0.00 0.02 0.00 0.00 177.57 177.54 3cda h GLY 844 N 0.93 0.75 1.86 0.00 0.00 -1.05 -1.74 103.07 103.82 3cda h GLY 844 Ca 0.12 -0.62 -0.16 0.00 0.00 0.00 0.00 47.33 46.67 3cda h GLY 844 CO 0.06 0.57 -0.72 -0.84 0.00 0.00 0.00 176.54 175.61 3cda h THR 845 N 0.61 1.46 -0.40 4.70 2.02 -0.79 -1.84 112.91 118.67 3cda h THR 845 Ca 0.09 -2.32 -0.02 0.00 0.77 0.00 0.00 66.41 64.92 3cda h THR 845 Cb 0.70 2.25 -0.02 0.00 -1.74 0.00 0.00 68.15 69.34 3cda h THR 845 CO 0.05 0.67 0.16 0.58 0.37 0.00 0.00 175.52 177.36 3cda h VAL 846 N 0.09 1.19 -0.80 3.16 2.07 -0.93 -0.57 116.25 120.46 3cda h VAL 846 Ca -0.02 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3cda h VAL 846 Cb 1.27 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 3cda h VAL 846 CO 0.10 0.22 0.43 -0.03 0.02 0.00 0.00 177.57 178.31 3cda h MET 847 N 0.51 1.13 -0.26 1.57 -1.53 -1.16 0.15 114.93 115.34 3cda h MET 847 Ca 0.14 -0.14 0.03 0.00 -3.44 0.00 0.00 59.70 56.29 3cda h MET 847 Cb 0.18 -0.22 -0.03 0.00 -0.55 0.00 0.00 31.60 30.98 3cda h MET 847 CO -0.01 0.84 0.06 0.00 0.14 0.00 0.00 176.91 177.93 3cda h ALA 848 N 1.23 0.27 -0.61 0.39 0.00 -1.14 -1.00 119.26 118.40 3cda h ALA 848 Ca 0.28 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3cda h ALA 848 Cb 0.05 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3cda h ALA 848 CO -0.04 -0.36 0.29 0.78 0.00 0.00 0.00 179.25 179.92 3cda h GLY 849 N 0.16 0.92 0.84 0.00 0.00 -0.22 -2.61 103.07 102.16 3cda h GLY 849 Ca 0.12 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3cda h GLY 849 CO -0.15 0.41 0.02 0.83 0.00 0.00 0.00 176.54 177.65 3cda h GLU 850 N 0.86 0.38 -0.39 4.80 4.39 -0.33 -2.27 114.58 122.03 3cda h GLU 850 Ca 0.21 -0.11 0.07 0.00 0.34 0.00 0.00 59.36 59.87 3cda h GLU 850 Cb 0.09 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.64 3cda h GLU 850 CO -0.03 0.54 0.00 -0.07 -1.16 0.00 0.00 179.01 178.29 3cda h LEU 851 N 0.17 -0.15 0.27 1.33 3.38 -0.95 -1.45 115.31 117.92 3cda h LEU 851 Ca 0.07 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3cda h LEU 851 Cb 0.35 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3cda h LEU 851 CO 0.01 -0.04 -0.13 -1.28 0.09 0.00 0.00 178.44 177.09 3cda h SER 852 N 0.11 -0.31 -0.85 -0.43 0.87 -1.39 -2.44 113.55 109.11 3cda h SER 852 Ca 0.19 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 3cda h SER 852 Cb 0.26 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 3cda h SER 852 CO -0.31 0.12 0.45 0.25 -0.53 0.00 0.00 176.83 176.81 3cda h LEU 853 N -0.82 1.08 -1.45 2.23 5.85 -1.44 -1.20 115.31 119.55 3cda h LEU 853 Ca -0.04 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 3cda h LEU 853 Cb 0.51 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3cda h LEU 853 CO 0.06 0.87 -0.23 0.24 -0.34 0.00 0.00 178.44 179.04 3cda h MET 854 N 1.20 0.06 0.05 1.25 2.86 -1.30 -1.32 114.93 117.74 3cda h MET 854 Ca 0.30 -0.02 -0.27 0.00 -2.06 0.00 0.00 59.70 57.65 3cda h MET 854 Cb 0.05 -0.01 0.02 0.00 0.06 0.00 0.00 31.60 31.72 3cda h MET 854 CO -0.05 0.29 -1.11 0.00 1.06 0.00 0.00 176.91 177.11 3cda h ALA 855 N 1.71 0.14 -0.12 6.32 0.00 -0.87 -1.63 119.26 124.81 3cda h ALA 855 Ca 0.01 -0.74 0.03 0.00 0.00 0.00 0.00 54.91 54.20 3cda h ALA 855 Cb 0.45 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3cda h ALA 855 CO 0.03 0.74 -0.04 0.00 0.00 0.00 0.00 179.25 179.98 3cda h ALA 856 N 0.46 0.06 -0.24 0.00 0.00 -0.94 -1.19 119.26 117.41 3cda h ALA 856 Ca -0.14 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3cda h ALA 856 Cb 1.77 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 3cda h ALA 856 CO 0.21 -0.50 -0.24 -0.07 0.00 0.00 0.00 179.25 178.65 3cda h LEU 857 N -0.02 0.45 -0.70 0.00 3.38 -1.29 -1.67 115.31 115.45 3cda h LEU 857 Ca 0.06 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 3cda h LEU 857 Cb 0.12 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3cda h LEU 857 CO -0.14 0.70 -0.46 0.00 0.09 0.00 0.00 178.44 178.63 3cda h ALA 858 N 1.34 0.88 0.00 1.53 0.00 -1.10 -3.01 119.26 118.90 3cda h ALA 858 Ca 0.06 -0.46 -0.17 0.00 0.00 0.00 0.00 54.91 54.34 3cda h ALA 858 Cb 0.64 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3cda h ALA 858 CO 0.05 0.65 -0.81 0.00 0.00 0.00 0.00 179.25 179.14 3cda h ALA 859 N 1.15 0.55 -4.07 0.00 0.00 -1.07 -3.48 119.26 112.34 3cda h ALA 859 Ca 0.02 -0.74 -0.21 0.00 0.00 0.00 0.00 54.91 53.99 3cda h ALA 859 Cb 0.95 -0.13 0.09 0.00 0.00 0.00 0.00 17.79 18.70 3cda h ALA 859 CO 0.08 1.01 -0.44 0.41 0.00 0.00 0.00 179.25 180.32 3cda n GLY 860 N 1.08 -0.00 2.49 0.00 0.00 -0.64 -2.66 105.19 105.45 3cda n GLY 860 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3cda n GLY 860 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3cda n HIS 861 N -3.20 0.00 0.88 1.61 8.25 -1.24 -5.09 115.22 116.43 3cda n HIS 861 Ca -0.12 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.45 3cda n HIS 861 Cb 0.58 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.78 3cda n HIS 861 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26