#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbo s THR 390 N 0.00 0.87 0.04 1.09 -1.32 -1.23 -4.99 115.64 110.10 2bbo s THR 390 Ca 0.00 -2.01 0.01 0.00 -1.21 0.00 0.00 61.69 58.48 2bbo s THR 390 Cb 0.00 -2.46 -0.04 0.00 -1.51 0.00 0.00 72.50 68.49 2bbo s THR 390 CO 0.00 -0.20 0.10 -1.61 -2.21 0.00 0.00 174.62 170.69 2bbo s GLU 391 N -3.92 3.03 -0.15 7.08 2.02 -1.26 -3.84 118.70 121.66 2bbo s GLU 391 Ca 0.32 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 54.74 2bbo s GLU 391 Cb 0.07 -2.82 -0.00 0.00 0.10 0.00 0.00 34.13 31.47 2bbo s GLU 391 CO 0.10 0.60 -0.16 0.08 0.02 0.00 0.00 175.26 175.91 2bbo s VAL 392 N -1.33 2.64 -0.12 2.63 1.01 -0.90 -4.10 120.40 120.24 2bbo s VAL 392 Ca 0.28 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.49 2bbo s VAL 392 Cb -0.12 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.17 2bbo s VAL 392 CO 0.20 0.52 -0.17 -0.69 0.00 0.00 0.00 175.10 174.96 2bbo s VAL 393 N 0.70 1.65 -0.07 2.92 1.01 -0.38 -0.60 120.40 125.63 2bbo s VAL 393 Ca -0.07 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.22 2bbo s VAL 393 Cb -0.16 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 2bbo s VAL 393 CO 0.02 0.47 -0.23 -0.04 0.00 0.00 0.00 175.10 175.32 2bbo s MET 394 N 0.93 2.60 -0.14 2.72 -1.94 0.12 -1.43 119.30 122.16 2bbo s MET 394 Ca -0.07 -0.83 -0.02 0.00 -1.71 0.00 0.00 55.69 53.06 2bbo s MET 394 Cb -0.15 -2.10 0.04 0.00 2.01 0.00 0.00 34.83 34.64 2bbo s MET 394 CO -0.01 0.27 0.02 -1.21 -0.01 0.00 0.00 175.02 174.07 2bbo s GLU 395 N 0.11 0.64 -1.42 2.03 2.02 -1.02 -1.90 118.70 119.16 2bbo s GLU 395 Ca -0.10 -0.17 -0.09 0.00 0.02 0.00 0.00 54.97 54.62 2bbo s GLU 395 Cb -0.15 -1.59 0.01 0.00 0.10 0.00 0.00 34.13 32.50 2bbo s GLU 395 CO 0.06 -0.48 0.28 0.09 0.02 0.00 0.00 175.26 175.23 2bbo n ASN 396 N 5.10 -0.80 -4.71 -0.19 5.03 -1.03 -2.54 115.26 116.12 2bbo n ASN 396 Ca -0.08 -1.22 -0.39 0.00 0.87 0.00 0.00 54.58 53.76 2bbo n ASN 396 Cb 0.49 -1.99 -0.06 0.00 -1.02 0.00 0.00 39.78 37.20 2bbo n ASN 396 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2bbo s VAL 397 N -4.06 5.14 -0.03 2.41 1.01 -0.92 -2.97 120.40 120.98 2bbo s VAL 397 Ca 0.14 1.09 0.02 0.00 0.00 0.00 0.00 61.98 63.24 2bbo s VAL 397 Cb -0.07 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2bbo s VAL 397 CO 0.96 0.28 -0.09 -0.89 0.00 0.00 0.00 175.10 175.36 2bbo s THR 398 N 0.85 0.82 0.07 3.92 2.01 -1.09 -0.64 115.64 121.57 2bbo s THR 398 Ca 0.29 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.94 2bbo s THR 398 Cb -0.16 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 2bbo s THR 398 CO 0.12 0.26 -0.07 0.00 -0.69 0.00 0.00 174.62 174.24 2bbo s ALA 399 N 0.27 0.82 0.07 7.40 0.00 -0.96 -0.10 121.76 129.25 2bbo s ALA 399 Ca -0.05 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 50.90 2bbo s ALA 399 Cb -0.10 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2bbo s ALA 399 CO 0.01 -0.13 -0.22 -0.06 0.00 0.00 0.00 175.76 175.36 2bbo s PHE 400 N -2.61 1.89 -0.18 0.00 0.08 -1.26 -2.01 117.98 113.88 2bbo s PHE 400 Ca 0.02 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.40 2bbo s PHE 400 Cb -0.02 -1.09 -0.00 0.00 -0.57 0.00 0.00 43.02 41.34 2bbo s PHE 400 CO -0.02 0.15 1.00 -1.58 -0.10 0.00 0.00 175.22 174.66 2bbo s TRP 401 N -0.93 3.40 -0.02 0.36 0.52 -1.26 -4.81 118.94 116.21 2bbo s TRP 401 Ca 0.08 1.48 -0.03 0.00 0.02 0.00 0.00 56.10 57.65 2bbo s TRP 401 Cb -0.09 -3.21 -0.27 0.00 -1.15 0.00 0.00 33.47 28.74 2bbo s TRP 401 CO 0.03 -0.37 0.78 1.49 0.02 0.00 0.00 176.95 178.90 2bbo h GLU 402 N 7.33 0.25 0.00 4.98 4.81 -1.99 -3.47 114.58 126.49 2bbo h GLU 402 Ca -0.24 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.57 2bbo h GLU 402 Cb 1.10 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2bbo h GLU 402 CO 0.92 1.10 0.00 0.39 -0.73 0.00 0.00 179.01 180.69 2bbo n GLU 403 N -3.44 2.03 0.00 1.92 4.71 -1.26 -5.28 120.64 119.32 2bbo n GLU 403 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.96 2bbo n GLU 403 Cb 1.05 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.48 2bbo n GLU 403 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2bbo n GLY 404 N 5.00 0.32 3.45 0.62 0.00 -1.26 -5.25 105.19 108.08 2bbo n GLY 404 Ca 0.00 -1.24 -0.44 0.00 0.00 0.00 0.00 46.02 44.34 2bbo n GLY 404 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bbo n LEU 436 N 0.00 0.45 -4.72 0.99 4.77 -1.26 -5.32 117.00 111.91 2bbo n LEU 436 Ca 0.00 0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.81 2bbo n LEU 436 Cb 0.00 -0.94 -0.03 0.00 -2.33 0.00 0.00 43.42 40.13 2bbo n LEU 436 CO 0.00 -0.75 1.30 0.61 -1.33 0.00 0.00 177.39 177.22 2bbo n GLY 437 N 6.67 1.41 0.56 -0.72 0.00 -1.26 -4.98 105.19 106.87 2bbo n GLY 437 Ca 0.63 0.57 0.00 0.00 0.00 0.00 0.00 46.02 47.22 2bbo n GLY 437 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bbo n THR 438 N 3.25 0.00 -2.85 2.61 -2.24 -1.26 -5.06 114.28 108.73 2bbo n THR 438 Ca 0.13 0.14 -0.40 0.00 -2.27 0.00 0.00 64.05 61.65 2bbo n THR 438 Cb 0.35 -1.08 -0.06 0.00 -2.10 0.00 0.00 70.33 67.44 2bbo n THR 438 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2bbo s PRO 439 N -0.83 4.71 0.24 -0.78 0.05 -1.26 -4.65 135.00 132.48 2bbo s PRO 439 Ca 0.00 1.34 0.02 0.00 0.05 0.00 0.00 61.00 62.41 2bbo s PRO 439 Cb 0.00 -3.29 0.27 0.00 0.05 0.00 0.00 34.50 31.53 2bbo s PRO 439 CO 0.00 0.49 1.60 -0.24 0.05 0.00 0.00 177.00 178.90 2bbo h VAL 440 N 3.39 1.33 -3.83 -0.36 3.04 -1.76 -3.45 116.25 114.60 2bbo h VAL 440 Ca -0.45 -1.69 -0.28 0.00 -1.01 0.00 0.00 66.70 63.27 2bbo h VAL 440 Cb 1.20 1.73 -0.28 0.00 -2.01 0.00 0.00 31.29 31.93 2bbo h VAL 440 CO 0.68 0.51 -0.74 -0.76 -1.01 0.00 0.00 177.57 176.26 2bbo s LEU 441 N -8.28 2.01 -0.10 3.16 1.43 -1.22 -3.90 118.68 111.78 2bbo s LEU 441 Ca -0.06 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2bbo s LEU 441 Cb 0.12 -0.15 0.03 0.00 0.03 0.00 0.00 46.19 46.23 2bbo s LEU 441 CO 0.81 0.03 0.00 -0.75 0.23 0.00 0.00 176.35 176.67 2bbo s LYS 442 N -0.10 0.72 -1.44 1.70 2.20 0.12 -2.27 119.74 120.67 2bbo s LYS 442 Ca 0.01 -0.04 -0.10 0.00 -0.36 0.00 0.00 55.97 55.48 2bbo s LYS 442 Cb -0.01 -1.27 0.04 0.00 -1.51 0.00 0.00 37.83 35.08 2bbo s LYS 442 CO -0.00 -0.37 1.02 -3.47 -0.36 0.00 0.00 175.35 172.17 2bbo n ASP 443 N 5.11 -5.71 -4.69 1.43 4.64 0.19 -4.44 116.55 113.07 2bbo n ASP 443 Ca -0.08 -0.59 -0.42 0.00 -1.38 0.00 0.00 54.79 52.32 2bbo n ASP 443 Cb 0.49 -4.53 -0.03 0.00 -1.04 0.00 0.00 41.12 36.01 2bbo n ASP 443 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2bbo s ILE 444 N -3.28 3.79 -0.17 5.18 -1.09 -0.44 -4.55 121.20 120.63 2bbo s ILE 444 Ca 0.58 1.19 -0.02 0.00 -2.23 0.00 0.00 60.65 60.17 2bbo s ILE 444 Cb -0.27 -3.77 0.05 0.00 -1.58 0.00 0.00 42.46 36.90 2bbo s ILE 444 CO 0.72 0.02 0.03 0.20 -1.23 0.00 0.00 174.94 174.67 2bbo s ASN 445 N 1.67 2.71 0.02 3.58 0.01 -1.26 -2.16 114.94 119.50 2bbo s ASN 445 Ca 0.62 -0.70 -0.24 0.00 -0.71 0.00 0.00 52.86 51.83 2bbo s ASN 445 Cb -0.31 -0.59 0.05 0.00 0.41 0.00 0.00 41.25 40.82 2bbo s ASN 445 CO 0.26 -0.28 0.54 0.72 -1.51 0.00 0.00 177.10 176.84 2bbo s PHE 446 N 1.86 -0.47 0.01 2.20 -0.12 -0.80 -5.00 117.98 115.68 2bbo s PHE 446 Ca 0.00 0.61 0.08 0.00 -0.05 0.00 0.00 56.93 57.57 2bbo s PHE 446 Cb -0.16 0.35 -0.02 0.00 -0.63 0.00 0.00 43.02 42.55 2bbo s PHE 446 CO -0.07 -0.62 -0.24 0.21 -0.05 0.00 0.00 175.22 174.44 2bbo s LYS 447 N -2.08 1.80 -0.14 1.99 2.20 -1.26 0.12 119.74 122.37 2bbo s LYS 447 Ca -0.07 -0.95 -0.01 0.00 -0.36 0.00 0.00 55.97 54.57 2bbo s LYS 447 Cb -0.01 -1.84 0.04 0.00 -1.51 0.00 0.00 37.83 34.51 2bbo s LYS 447 CO 0.01 0.49 -0.02 -1.50 -0.36 0.00 0.00 175.35 173.98 2bbo s ILE 448 N -0.68 0.73 0.86 5.43 2.07 0.23 -5.00 121.20 124.84 2bbo s ILE 448 Ca 0.10 -0.34 -0.13 0.00 -1.41 0.00 0.00 60.65 58.87 2bbo s ILE 448 Cb -0.09 -0.97 0.08 0.00 0.13 0.00 0.00 42.46 41.61 2bbo s ILE 448 CO 0.01 0.11 0.96 -0.62 -1.91 0.00 0.00 174.94 173.49 2bbo n GLU 449 N 5.01 -0.09 -1.65 3.50 4.71 -1.26 -2.11 120.64 128.76 2bbo n GLU 449 Ca -0.10 0.04 -0.49 0.00 -0.01 0.00 0.00 57.16 56.60 2bbo n GLU 449 Cb 0.49 -2.24 -0.05 0.00 -1.01 0.00 0.00 31.44 28.62 2bbo n GLU 449 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2bbo n ARG 450 N -2.99 1.72 -0.92 3.49 1.74 -1.25 -2.03 116.66 116.41 2bbo n ARG 450 Ca 0.11 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.82 2bbo n ARG 450 Cb 0.51 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.61 2bbo n ARG 450 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bbo n GLY 451 N 3.28 0.81 3.92 -0.13 0.00 -1.26 -4.92 105.19 106.88 2bbo n GLY 451 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 2bbo n GLY 451 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bbo s GLN 452 N -0.08 3.57 -0.19 1.61 -0.21 -0.86 -4.47 119.66 119.04 2bbo s GLN 452 Ca 0.00 -0.04 -0.03 0.00 0.02 0.00 0.00 55.36 55.30 2bbo s GLN 452 Cb 0.00 -2.58 -0.02 0.00 1.00 0.00 0.00 33.01 31.41 2bbo s GLN 452 CO 0.00 0.09 -0.05 -1.17 -2.12 0.00 0.00 175.29 172.05 2bbo s LEU 453 N -4.06 3.02 -0.28 2.90 2.96 -1.26 -2.13 118.68 119.84 2bbo s LEU 453 Ca 0.44 -0.28 -0.11 0.00 -0.22 0.00 0.00 54.13 53.96 2bbo s LEU 453 Cb -0.10 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 2bbo s LEU 453 CO 0.35 0.07 0.18 -0.22 -1.32 0.00 0.00 176.35 175.42 2bbo s LEU 454 N 0.93 4.00 -0.20 -0.68 0.20 -0.73 -2.16 118.68 120.03 2bbo s LEU 454 Ca -0.00 -0.01 -0.19 0.00 0.69 0.00 0.00 54.13 54.62 2bbo s LEU 454 Cb -0.15 -2.11 -0.03 0.00 -0.43 0.00 0.00 46.19 43.47 2bbo s LEU 454 CO 0.01 -0.04 0.55 0.00 -0.29 0.00 0.00 176.35 176.58 2bbo s ALA 455 N 1.70 3.55 -0.28 5.97 0.00 -0.19 -0.43 121.76 132.08 2bbo s ALA 455 Ca 0.07 -0.38 -0.07 0.00 0.00 0.00 0.00 51.96 51.58 2bbo s ALA 455 Cb -0.16 -2.86 -0.00 0.00 0.00 0.00 0.00 23.12 20.10 2bbo s ALA 455 CO 0.10 -0.50 0.07 0.08 0.00 0.00 0.00 175.76 175.52 2bbo s VAL 456 N 1.77 4.05 0.31 0.00 1.01 0.79 -0.41 120.40 127.92 2bbo s VAL 456 Ca 0.25 -0.53 0.10 0.00 0.00 0.00 0.00 61.98 61.80 2bbo s VAL 456 Cb -0.16 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 2bbo s VAL 456 CO 0.10 0.17 -0.08 0.00 0.00 0.00 0.00 175.10 175.29 2bbo s ALA 457 N 1.54 3.01 0.00 5.51 0.00 -0.04 -0.87 121.76 130.91 2bbo s ALA 457 Ca 0.04 -1.93 0.00 0.00 0.00 0.00 0.00 51.96 50.07 2bbo s ALA 457 Cb -0.16 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.64 2bbo s ALA 457 CO 0.03 0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.35 2bbo n GLY 458 N -0.81 2.61 3.47 0.00 0.00 -1.26 -1.27 105.19 107.93 2bbo n GLY 458 Ca -0.05 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 2bbo n GLY 458 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bbo n SER 459 N 0.00 -1.55 -4.68 1.61 3.41 -1.17 -4.87 113.62 106.36 2bbo n SER 459 Ca 0.00 0.36 -0.42 0.00 -0.26 0.00 0.00 58.87 58.55 2bbo n SER 459 Cb 0.00 -1.26 -0.03 0.00 -0.26 0.00 0.00 64.21 62.66 2bbo n SER 459 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2bbo s THR 460 N -2.42 3.00 0.00 6.66 -1.32 -1.26 -1.97 115.64 118.32 2bbo s THR 460 Ca 0.59 0.37 0.00 0.00 -1.21 0.00 0.00 61.69 61.44 2bbo s THR 460 Cb -0.22 -3.24 0.00 0.00 -1.51 0.00 0.00 72.50 67.53 2bbo s THR 460 CO 0.65 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.66 2bbo n GLY 461 N 4.13 0.59 0.28 6.08 0.00 -1.26 -4.94 105.19 110.06 2bbo n GLY 461 Ca 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 2bbo n GLY 461 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bbo h ALA 462 N 0.00 1.25 0.00 4.61 0.00 -1.72 -3.43 119.26 119.97 2bbo h ALA 462 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2bbo h ALA 462 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2bbo h ALA 462 CO 0.00 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.16 2bbo n GLY 463 N -0.78 1.97 0.12 0.00 0.00 -1.26 -1.37 105.19 103.87 2bbo n GLY 463 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2bbo n GLY 463 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bbo h LYS 464 N 0.00 0.27 -0.44 1.61 1.57 -1.90 -0.44 116.57 117.24 2bbo h LYS 464 Ca 0.00 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 2bbo h LYS 464 Cb 0.00 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2bbo h LYS 464 CO 0.00 0.63 0.19 1.15 -0.57 0.00 0.00 179.45 180.85 2bbo h THR 465 N -0.08 1.19 -0.18 -0.16 2.02 -2.00 -3.00 112.91 110.69 2bbo h THR 465 Ca 0.03 -0.57 -0.06 0.00 0.77 0.00 0.00 66.41 66.58 2bbo h THR 465 Cb 0.55 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2bbo h THR 465 CO 0.02 0.21 -0.15 0.28 0.37 0.00 0.00 175.52 176.26 2bbo h SER 466 N 0.57 0.29 -0.38 4.18 0.02 -1.96 0.72 113.55 116.98 2bbo h SER 466 Ca 0.15 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2bbo h SER 466 Cb 0.16 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2bbo h SER 466 CO -0.02 0.46 0.24 0.25 -1.14 0.00 0.00 176.83 176.63 2bbo h LEU 467 N 0.28 0.45 -0.52 5.07 5.85 -0.99 -0.51 115.31 124.94 2bbo h LEU 467 Ca 0.05 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 2bbo h LEU 467 Cb 0.44 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2bbo h LEU 467 CO 0.03 0.35 0.03 -0.07 -0.34 0.00 0.00 178.44 178.44 2bbo h LEU 468 N 0.51 0.88 -0.68 2.25 4.07 -1.28 -2.30 115.31 118.75 2bbo h LEU 468 Ca 0.14 -0.29 0.10 0.00 0.08 0.00 0.00 57.88 57.91 2bbo h LEU 468 Cb -0.02 -0.23 -0.07 0.00 1.08 0.00 0.00 40.66 41.41 2bbo h LEU 468 CO -0.03 0.95 0.30 0.24 -1.08 0.00 0.00 178.44 178.82 2bbo h MET 469 N 0.77 0.50 -0.27 1.13 2.86 -0.62 -1.99 114.93 117.31 2bbo h MET 469 Ca 0.15 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 2bbo h MET 469 Cb 0.48 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 2bbo h MET 469 CO 0.02 0.33 -0.07 1.98 1.06 0.00 0.00 176.91 180.23 2bbo h MET 470 N 0.51 0.43 -0.23 1.72 -1.53 -0.77 -1.74 114.93 113.32 2bbo h MET 470 Ca 0.34 -0.10 -0.11 0.00 -3.44 0.00 0.00 59.70 56.40 2bbo h MET 470 Cb 0.41 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.39 2bbo h MET 470 CO -0.30 0.51 -0.31 0.82 0.14 0.00 0.00 176.91 177.77 2bbo h ILE 471 N 0.41 1.28 0.00 1.77 2.04 -0.82 -3.18 117.51 119.00 2bbo h ILE 471 Ca 0.08 -1.38 -0.14 0.00 1.00 0.00 0.00 64.86 64.43 2bbo h ILE 471 Cb 0.38 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2bbo h ILE 471 CO 0.02 0.43 -0.67 0.24 0.00 0.00 0.00 178.15 178.17 2bbo h MET 472 N 0.40 0.00 0.00 2.37 2.86 -0.87 -3.47 114.93 116.21 2bbo h MET 472 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2bbo h MET 472 Cb 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.41 2bbo h MET 472 CO 0.06 0.67 0.00 0.41 1.06 0.00 0.00 176.91 179.11 2bbo n GLY 473 N 0.91 0.72 0.25 8.32 0.00 -0.89 -4.97 105.19 109.52 2bbo n GLY 473 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2bbo n GLY 473 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bbo h GLU 474 N 2.69 0.00 -4.99 1.61 3.07 -1.61 -3.42 114.58 111.93 2bbo h GLU 474 Ca 0.00 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.27 2bbo h GLU 474 Cb 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 27.58 2bbo h GLU 474 CO 0.00 0.15 -0.85 -1.17 -1.40 0.00 0.00 179.01 175.74 2bbo s LEU 475 N -7.46 1.87 -0.12 1.33 2.96 -1.19 -4.93 118.68 111.13 2bbo s LEU 475 Ca -0.03 -0.42 -0.19 0.00 -0.22 0.00 0.00 54.13 53.28 2bbo s LEU 475 Cb 0.13 -1.09 -0.04 0.00 0.50 0.00 0.00 46.19 45.69 2bbo s LEU 475 CO 0.61 0.10 0.51 -1.83 -1.32 0.00 0.00 176.35 174.43 2bbo s GLU 476 N 0.44 4.34 0.17 1.98 1.03 -1.26 -4.53 118.70 120.87 2bbo s GLU 476 Ca -0.15 0.50 -0.28 0.00 0.03 0.00 0.00 54.97 55.07 2bbo s GLU 476 Cb -0.16 -3.45 -0.08 0.00 -0.80 0.00 0.00 34.13 29.64 2bbo s GLU 476 CO 0.06 0.11 0.88 -1.25 -1.33 0.00 0.00 175.26 173.73 2bbo s PRO 477 N 0.77 4.71 0.06 -4.83 0.04 -1.26 -4.34 135.00 130.15 2bbo s PRO 477 Ca 0.27 1.35 0.23 0.00 0.04 0.00 0.00 61.00 62.89 2bbo s PRO 477 Cb -0.15 -3.30 0.12 0.00 0.04 0.00 0.00 34.50 31.20 2bbo s PRO 477 CO 0.11 0.45 1.10 0.43 0.04 0.00 0.00 177.00 179.13 2bbo n SER 478 N 1.92 0.63 -3.84 6.66 7.64 0.86 -4.93 113.62 122.56 2bbo n SER 478 Ca -0.02 -0.16 -0.12 0.00 1.01 0.00 0.00 58.87 59.58 2bbo n SER 478 Cb 0.48 0.65 -0.11 0.00 -1.01 0.00 0.00 64.21 64.22 2bbo n SER 478 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2bbo s GLU 479 N -3.18 0.35 0.09 1.43 0.41 -0.96 -4.95 118.70 111.88 2bbo s GLU 479 Ca 0.05 -0.09 0.00 0.00 -0.41 0.00 0.00 54.97 54.52 2bbo s GLU 479 Cb 0.14 0.15 0.00 0.00 -1.78 0.00 0.00 34.13 32.64 2bbo s GLU 479 CO 0.78 -0.07 0.00 0.41 -0.49 0.00 0.00 175.26 175.89 2bbo n GLY 480 N 2.20 -1.71 3.58 -1.39 0.00 -1.16 -2.69 105.19 104.03 2bbo n GLY 480 Ca -0.18 -1.44 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 2bbo n GLY 480 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bbo s LYS 481 N -1.71 2.45 -0.17 1.61 1.02 -1.05 -4.90 119.74 117.00 2bbo s LYS 481 Ca 0.00 -0.78 0.01 0.00 0.02 0.00 0.00 55.97 55.22 2bbo s LYS 481 Cb 0.00 -2.44 0.01 0.00 -0.52 0.00 0.00 37.83 34.88 2bbo s LYS 481 CO 0.00 0.58 -0.20 0.42 -0.92 0.00 0.00 175.35 175.23 2bbo s ILE 482 N -1.01 2.11 -0.11 2.17 1.01 -1.26 -2.43 121.20 121.68 2bbo s ILE 482 Ca 0.17 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.90 2bbo s ILE 482 Cb -0.11 -1.87 0.02 0.00 0.01 0.00 0.00 42.46 40.51 2bbo s ILE 482 CO 0.08 0.54 -0.15 -0.54 0.00 0.00 0.00 174.94 174.87 2bbo s LYS 483 N 1.10 2.19 0.20 2.79 1.02 -0.51 -4.99 119.74 121.54 2bbo s LYS 483 Ca 0.00 -0.54 -0.23 0.00 0.02 0.00 0.00 55.97 55.22 2bbo s LYS 483 Cb -0.14 -1.90 0.06 0.00 -0.52 0.00 0.00 37.83 35.33 2bbo s LYS 483 CO -0.08 -0.10 0.91 -3.38 -0.92 0.00 0.00 175.35 171.79 2bbo s HIS 484 N 1.09 -0.09 0.40 3.18 -3.43 -1.26 -1.25 115.29 113.94 2bbo s HIS 484 Ca -0.04 -0.29 0.08 0.00 -0.80 0.00 0.00 55.06 54.00 2bbo s HIS 484 Cb -0.14 0.68 0.84 0.00 -1.43 0.00 0.00 32.58 32.52 2bbo s HIS 484 CO -0.03 -0.98 2.01 0.66 -2.00 0.00 0.00 174.74 174.40 2bbo h SER 485 N 2.00 0.39 -0.21 7.38 4.64 -1.95 -3.47 113.55 122.34 2bbo h SER 485 Ca -0.24 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2bbo h SER 485 Cb 1.23 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2bbo h SER 485 CO 0.28 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 2bbo n GLY 486 N -1.28 1.16 2.61 -0.77 0.00 -1.26 -5.06 105.19 100.60 2bbo n GLY 486 Ca 0.02 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 2bbo n GLY 486 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bbo s ARG 487 N -2.03 1.24 -0.05 1.61 3.52 -1.26 -5.08 118.95 116.90 2bbo s ARG 487 Ca 0.00 -2.13 0.00 0.00 -0.13 0.00 0.00 55.73 53.47 2bbo s ARG 487 Cb 0.00 -2.09 -0.03 0.00 -1.56 0.00 0.00 34.95 31.27 2bbo s ARG 487 CO 0.00 -1.25 -0.02 0.42 -0.81 0.00 0.00 175.30 173.64 2bbo s ILE 488 N 0.11 4.10 -0.15 4.11 1.01 -1.26 -0.56 121.20 128.56 2bbo s ILE 488 Ca 0.23 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 2bbo s ILE 488 Cb -0.13 -2.75 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 2bbo s ILE 488 CO -0.08 0.52 -0.11 -0.55 0.00 0.00 0.00 174.94 174.72 2bbo s SER 489 N -1.11 4.11 -0.10 3.58 0.15 -0.22 -4.95 113.70 115.16 2bbo s SER 489 Ca 0.15 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.50 2bbo s SER 489 Cb -0.11 -1.65 -0.01 0.00 -1.71 0.00 0.00 66.02 62.54 2bbo s SER 489 CO 0.05 0.13 -0.18 0.12 1.20 0.00 0.00 173.24 174.56 2bbo s PHE 490 N 0.56 2.66 -0.19 3.44 5.36 -1.26 -0.36 117.98 128.19 2bbo s PHE 490 Ca -0.07 -0.71 -0.04 0.00 -0.96 0.00 0.00 56.93 55.15 2bbo s PHE 490 Cb -0.15 -1.74 -0.02 0.00 -0.34 0.00 0.00 43.02 40.77 2bbo s PHE 490 CO 0.03 -0.22 -0.03 0.00 -1.46 0.00 0.00 175.22 173.54 2bbo s SER 492 N 0.96 6.05 0.00 0.00 0.15 -1.26 -1.11 113.70 118.48 2bbo s SER 492 Ca 0.00 1.53 0.26 0.00 0.70 0.00 0.00 55.95 58.44 2bbo s SER 492 Cb -0.15 -2.49 1.11 0.00 -1.71 0.00 0.00 66.02 62.79 2bbo s SER 492 CO 0.01 -0.99 1.83 0.00 1.20 0.00 0.00 173.24 175.29 2bbo n GLN 493 N -2.58 0.01 -3.70 5.44 10.64 -0.41 -3.89 117.38 122.89 2bbo n GLN 493 Ca 0.07 0.05 -0.38 0.00 -1.83 0.00 0.00 57.00 54.91 2bbo n GLN 493 Cb 0.54 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 28.30 2bbo n GLN 493 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 2bbo s PHE 494 N -2.99 3.15 0.29 2.61 0.40 -1.26 -4.19 117.98 115.98 2bbo s PHE 494 Ca 0.13 -0.55 -0.30 0.00 -0.60 0.00 0.00 56.93 55.60 2bbo s PHE 494 Cb 0.17 -2.31 -0.12 0.00 0.51 0.00 0.00 43.02 41.27 2bbo s PHE 494 CO 0.47 -0.43 1.45 0.43 0.70 0.00 0.00 175.22 177.84 2bbo n SER 495 N 4.95 3.17 -3.92 1.36 7.64 -1.26 -5.03 113.62 120.53 2bbo n SER 495 Ca -0.15 1.16 -0.10 0.00 1.01 0.00 0.00 58.87 60.80 2bbo n SER 495 Cb 0.50 -1.51 -0.10 0.00 -1.01 0.00 0.00 64.21 62.09 2bbo n SER 495 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 2bbo s TRP 496 N -0.34 0.17 -0.05 1.43 1.48 -1.26 -5.02 118.94 115.35 2bbo s TRP 496 Ca 0.63 -0.40 -0.00 0.00 -1.06 0.00 0.00 56.10 55.27 2bbo s TRP 496 Cb -0.57 -0.13 0.03 0.00 -1.16 0.00 0.00 33.47 31.64 2bbo s TRP 496 CO 0.53 -0.30 -0.00 0.42 -4.06 0.00 0.00 176.95 173.54 2bbo s ILE 497 N -1.98 0.28 0.32 0.66 -1.09 -1.26 -4.66 121.20 113.47 2bbo s ILE 497 Ca -0.10 0.09 -0.15 0.00 -2.23 0.00 0.00 60.65 58.25 2bbo s ILE 497 Cb -0.05 -0.40 -0.09 0.00 -1.58 0.00 0.00 42.46 40.34 2bbo s ILE 497 CO -0.02 0.20 0.73 0.00 -1.23 0.00 0.00 174.94 174.62 2bbo s MET 498 N 1.39 4.01 0.18 2.79 0.23 -1.26 -5.04 119.30 121.60 2bbo s MET 498 Ca -0.04 0.67 -0.32 0.00 -1.03 0.00 0.00 55.69 54.97 2bbo s MET 498 Cb -0.13 -2.45 -0.11 0.00 -1.53 0.00 0.00 34.83 30.61 2bbo s MET 498 CO -0.02 0.17 1.62 -2.14 -2.03 0.00 0.00 175.02 172.61 2bbo s PRO 499 N -2.94 4.18 0.00 3.16 0.02 -1.26 -4.81 135.00 133.35 2bbo s PRO 499 Ca 0.54 2.45 0.00 0.00 0.02 0.00 0.00 61.00 64.01 2bbo s PRO 499 Cb -0.10 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.29 2bbo s PRO 499 CO 0.18 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 2bbo n GLY 500 N 3.76 0.98 3.83 0.52 0.00 -0.96 -5.00 105.19 108.32 2bbo n GLY 500 Ca 0.14 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 2bbo n GLY 500 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbo s THR 501 N -1.74 4.21 0.27 2.61 -4.23 -1.26 -0.70 115.64 114.81 2bbo s THR 501 Ca 0.00 0.91 0.00 0.00 -1.18 0.00 0.00 61.69 61.42 2bbo s THR 501 Cb 0.00 -3.56 0.26 0.00 1.34 0.00 0.00 72.50 70.54 2bbo s THR 501 CO 0.00 -0.75 1.72 0.40 -0.54 0.00 0.00 174.62 175.45 2bbo h ILE 502 N 0.15 0.58 -0.68 2.99 2.04 -1.46 -0.06 117.51 121.08 2bbo h ILE 502 Ca -0.46 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 2bbo h ILE 502 Cb 1.20 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2bbo h ILE 502 CO 0.59 0.08 0.32 0.50 0.00 0.00 0.00 178.15 179.65 2bbo h LYS 503 N 0.47 0.98 -0.23 2.37 3.64 -1.74 -1.96 116.57 120.09 2bbo h LYS 503 Ca 0.50 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.63 2bbo h LYS 503 Cb 0.84 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2bbo h LYS 503 CO -0.46 0.78 -0.30 0.93 -2.27 0.00 0.00 179.45 178.13 2bbo h GLU 504 N 0.94 0.47 0.00 1.90 5.08 -1.55 -1.30 114.58 120.11 2bbo h GLU 504 Ca 0.23 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2bbo h GLU 504 Cb 0.12 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2bbo h GLU 504 CO -0.03 0.72 -0.30 -0.91 -1.00 0.00 0.00 179.01 177.49 2bbo h ASN 505 N 0.41 0.00 0.05 1.42 2.35 -0.56 0.13 115.58 119.37 2bbo h ASN 505 Ca 0.05 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.57 2bbo h ASN 505 Cb 0.73 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.08 2bbo h ASN 505 CO 0.06 0.30 -1.26 0.40 -1.65 0.00 0.00 177.43 175.28 2bbo h ILE 506 N 0.00 1.01 0.39 2.81 2.04 -1.15 -3.39 117.51 119.21 2bbo h ILE 506 Ca -0.00 -2.28 -0.02 0.00 1.00 0.00 0.00 64.86 63.56 2bbo h ILE 506 Cb 0.64 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.24 2bbo h ILE 506 CO 0.04 0.53 -0.19 0.40 0.00 0.00 0.00 178.15 178.93 2bbo h ILE 507 N -0.67 0.61 -6.36 -0.67 5.03 -1.30 -3.39 117.51 110.75 2bbo h ILE 507 Ca -0.31 -0.30 -0.37 0.00 -0.12 0.00 0.00 64.86 63.76 2bbo h ILE 507 Cb 1.49 0.76 0.01 0.00 -3.03 0.00 0.00 36.82 36.05 2bbo h ILE 507 CO -0.08 0.06 -0.80 0.33 -0.68 0.00 0.00 178.15 176.98 2bbo n PHE 508 N -5.25 -2.21 -0.94 1.37 -0.00 0.44 -2.16 117.46 108.71 2bbo n PHE 508 Ca -0.11 0.80 0.00 0.00 -0.00 0.00 0.00 57.45 58.15 2bbo n PHE 508 Cb 0.27 -3.19 0.00 0.00 -0.00 0.00 0.00 39.48 36.56 2bbo n PHE 508 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2bbo n GLY 509 N -1.72 0.47 3.78 7.13 0.00 -1.26 -5.00 105.19 108.58 2bbo n GLY 509 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2bbo n GLY 509 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bbo s VAL 510 N -2.19 4.68 0.12 1.61 1.01 -0.92 -5.06 120.40 119.65 2bbo s VAL 510 Ca 0.00 -0.46 -0.35 0.00 0.00 0.00 0.00 61.98 61.17 2bbo s VAL 510 Cb 0.00 -3.15 -0.16 0.00 0.00 0.00 0.00 36.38 33.07 2bbo s VAL 510 CO 0.00 0.32 1.32 -0.24 0.00 0.00 0.00 175.10 176.50 2bbo n SER 511 N 1.10 1.74 -4.71 3.32 2.88 -1.26 -4.92 113.62 111.77 2bbo n SER 511 Ca -0.12 1.12 -0.42 0.00 -1.33 0.00 0.00 58.87 58.12 2bbo n SER 511 Cb 0.53 -1.23 -0.03 0.00 -0.75 0.00 0.00 64.21 62.73 2bbo n SER 511 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2bbo s TYR 512 N 0.33 3.48 -0.10 0.66 5.04 -1.26 -5.03 117.35 120.46 2bbo s TYR 512 Ca 0.80 1.44 -0.02 0.00 -2.44 0.00 0.00 57.07 56.85 2bbo s TYR 512 Cb -0.89 -3.31 0.04 0.00 0.35 0.00 0.00 41.96 38.15 2bbo s TYR 512 CO 0.47 -0.80 0.03 0.34 -1.34 0.00 0.00 175.55 174.25 2bbo s ASP 513 N 1.11 1.90 0.35 4.32 2.15 -1.26 -5.05 116.67 120.19 2bbo s ASP 513 Ca 0.55 -0.28 0.03 0.00 0.43 0.00 0.00 52.55 53.29 2bbo s ASP 513 Cb -0.25 -0.41 0.66 0.00 -0.30 0.00 0.00 42.92 42.62 2bbo s ASP 513 CO 0.27 -0.24 1.98 -0.08 -0.17 0.00 0.00 175.17 176.92 2bbo h GLU 514 N 8.33 0.70 0.01 4.34 4.81 -1.99 -0.90 114.58 129.88 2bbo h GLU 514 Ca -0.17 -0.07 -0.25 0.00 -0.13 0.00 0.00 59.36 58.73 2bbo h GLU 514 Cb 1.13 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 30.38 2bbo h GLU 514 CO 0.26 0.52 -1.02 1.88 -0.73 0.00 0.00 179.01 179.93 2bbo h TYR 515 N 0.70 0.88 -0.23 0.92 -1.99 -1.99 -1.98 116.97 113.29 2bbo h TYR 515 Ca 0.18 -0.49 -0.05 0.00 2.00 0.00 0.00 58.73 60.37 2bbo h TYR 515 Cb 0.04 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 38.66 2bbo h TYR 515 CO 0.00 1.32 -0.07 -0.09 -0.00 0.00 0.00 178.16 179.33 2bbo h ARG 516 N 0.33 0.45 0.41 4.88 2.43 -1.95 -2.32 114.38 118.62 2bbo h ARG 516 Ca -0.12 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 58.86 2bbo h ARG 516 Cb 1.67 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.19 2bbo h ARG 516 CO 0.19 0.69 -0.25 -0.92 -1.51 0.00 0.00 179.97 178.18 2bbo h TYR 517 N 0.18 -0.64 -0.43 2.20 3.20 -1.24 -1.54 116.97 118.70 2bbo h TYR 517 Ca 0.06 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.99 2bbo h TYR 517 Cb 0.53 0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.97 2bbo h TYR 517 CO 0.05 -0.38 0.09 -0.09 -1.64 0.00 0.00 178.16 176.19 2bbo h ARG 518 N -0.63 0.21 -0.15 1.82 9.65 -1.41 0.28 114.38 124.15 2bbo h ARG 518 Ca -0.05 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.75 2bbo h ARG 518 Cb 0.51 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 2bbo h ARG 518 CO 0.05 0.14 -0.22 0.66 2.80 0.00 0.00 179.97 183.40 2bbo h SER 519 N 0.22 0.26 -0.10 -3.80 4.64 -1.37 -1.38 113.55 112.01 2bbo h SER 519 Ca 0.21 -0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.41 2bbo h SER 519 Cb 0.26 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2bbo h SER 519 CO -0.27 0.49 -0.11 0.58 -0.87 0.00 0.00 176.83 176.65 2bbo h VAL 520 N 0.24 1.36 0.00 0.95 2.07 -0.47 -1.83 116.25 118.57 2bbo h VAL 520 Ca 0.04 -1.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.24 2bbo h VAL 520 Cb 0.53 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2bbo h VAL 520 CO 0.04 0.36 -0.19 0.16 0.02 0.00 0.00 177.57 177.96 2bbo h ILE 521 N -0.16 0.51 -0.02 4.57 3.07 -0.80 -0.80 117.51 123.88 2bbo h ILE 521 Ca 0.02 -0.99 -0.03 0.00 1.55 0.00 0.00 64.86 65.41 2bbo h ILE 521 Cb 0.63 1.68 0.00 0.00 -0.27 0.00 0.00 36.82 38.87 2bbo h ILE 521 CO 0.03 0.19 -0.09 0.50 -1.05 0.00 0.00 178.15 177.72 2bbo h LYS 522 N 0.00 0.09 -0.61 0.16 3.11 -1.27 -0.46 116.57 117.59 2bbo h LYS 522 Ca -0.00 -0.08 -0.05 0.00 -2.81 0.00 0.00 60.65 57.71 2bbo h LYS 522 Cb 0.67 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.89 2bbo h LYS 522 CO 0.03 0.74 0.17 0.00 -2.81 0.00 0.00 179.45 177.57 2bbo h ALA 523 N 0.35 1.15 -0.02 5.00 0.00 -0.93 -2.18 119.26 122.64 2bbo h ALA 523 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2bbo h ALA 523 Cb 0.76 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2bbo h ALA 523 CO 0.02 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.85 2bbo n GLN 525 N -0.52 -5.21 0.01 0.00 1.13 -0.82 -4.86 117.38 107.11 2bbo n GLN 525 Ca 0.05 0.85 0.11 0.00 -1.94 0.00 0.00 57.00 56.07 2bbo n GLN 525 Cb 0.04 -5.65 -0.03 0.00 0.11 0.00 0.00 30.24 24.70 2bbo n GLN 525 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2bbo n LEU 526 N -4.01 0.66 -0.21 1.08 4.77 -0.19 -4.45 117.00 114.65 2bbo n LEU 526 Ca -0.09 -0.20 -0.04 0.00 -0.03 0.00 0.00 56.01 55.66 2bbo n LEU 526 Cb 0.60 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.70 2bbo n LEU 526 CO 0.48 0.12 1.08 -0.33 -1.33 0.00 0.00 177.39 177.42 2bbo h GLU 527 N 0.00 0.66 -0.02 3.23 5.08 -1.85 0.11 114.58 121.79 2bbo h GLU 527 Ca 0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2bbo h GLU 527 Cb 0.66 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2bbo h GLU 527 CO 0.00 0.44 0.01 1.49 -1.00 0.00 0.00 179.01 179.95 2bbo h GLU 528 N 0.68 0.02 -0.40 2.33 4.81 -1.93 -2.20 114.58 117.90 2bbo h GLU 528 Ca 0.25 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.52 2bbo h GLU 528 Cb 0.08 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 2bbo h GLU 528 CO -0.13 0.07 0.17 -0.44 -0.73 0.00 0.00 179.01 177.94 2bbo h ASP 529 N -0.02 0.21 -0.71 1.04 3.32 -1.69 -2.83 116.42 115.74 2bbo h ASP 529 Ca 0.01 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 2bbo h ASP 529 Cb 0.05 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2bbo h ASP 529 CO -0.00 0.16 0.33 0.40 -1.72 0.00 0.00 179.24 178.41 2bbo h ILE 530 N 0.35 1.24 0.00 0.35 2.04 -0.75 -2.69 117.51 118.04 2bbo h ILE 530 Ca 0.18 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2bbo h ILE 530 Cb 0.12 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2bbo h ILE 530 CO -0.15 0.28 0.00 -1.54 0.00 0.00 0.00 178.15 176.74 2bbo n SER 531 N -4.41 0.00 0.29 1.72 3.41 -0.83 -1.91 113.62 111.89 2bbo n SER 531 Ca 0.06 0.44 0.20 0.00 -0.26 0.00 0.00 58.87 59.30 2bbo n SER 531 Cb 0.14 -0.47 0.97 0.00 -0.26 0.00 0.00 64.21 64.59 2bbo n SER 531 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2bbo h LYS 532 N 0.00 0.00 -6.13 4.33 6.56 -1.23 -3.44 116.57 116.65 2bbo h LYS 532 Ca 0.00 0.00 -0.67 0.00 -1.06 0.00 0.00 60.65 58.92 2bbo h LYS 532 Cb 0.36 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 31.88 2bbo h LYS 532 CO 0.00 0.00 -0.64 -0.06 -2.06 0.00 0.00 179.45 176.69 2bbo s PHE 533 N -3.91 3.08 0.16 -1.35 0.08 -0.80 -5.03 117.98 110.21 2bbo s PHE 533 Ca -0.02 0.09 -0.13 0.00 0.12 0.00 0.00 56.93 56.99 2bbo s PHE 533 Cb 0.11 -1.69 0.04 0.00 -0.57 0.00 0.00 43.02 40.91 2bbo s PHE 533 CO 0.43 0.45 1.66 0.00 -0.10 0.00 0.00 175.22 177.67 2bbo h ALA 534 N 4.51 0.70 -0.03 5.36 0.00 -1.86 -2.21 119.26 125.72 2bbo h ALA 534 Ca -0.49 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2bbo h ALA 534 Cb 1.18 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2bbo h ALA 534 CO 0.57 0.40 0.00 0.39 0.00 0.00 0.00 179.25 180.60 2bbo n GLU 535 N -4.42 1.16 0.00 0.00 1.02 -1.26 -5.00 120.64 112.13 2bbo n GLU 535 Ca 0.02 -0.24 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 2bbo n GLU 535 Cb 0.23 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2bbo n GLU 535 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2bbo n LYS 536 N -0.55 0.00 -0.01 3.49 4.01 -0.83 -1.00 118.16 123.26 2bbo n LYS 536 Ca 0.15 0.00 0.08 0.00 -0.51 0.00 0.00 58.31 58.02 2bbo n LYS 536 Cb 0.12 0.00 0.43 0.00 -0.51 0.00 0.00 35.03 35.08 2bbo n LYS 536 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2bbo n ASP 537 N 3.49 0.20 -1.53 4.39 3.85 -1.26 -3.07 116.55 122.62 2bbo n ASP 537 Ca 0.00 -1.56 0.09 0.00 -0.71 0.00 0.00 54.79 52.61 2bbo n ASP 537 Cb 0.00 -0.02 0.34 0.00 -1.35 0.00 0.00 41.12 40.10 2bbo n ASP 537 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2bbo n ASN 538 N -0.60 4.54 -4.71 -1.12 5.03 -0.17 -2.06 115.26 116.17 2bbo n ASN 538 Ca 0.12 -2.41 -0.42 0.00 0.87 0.00 0.00 54.58 52.74 2bbo n ASN 538 Cb 0.08 -0.56 -0.03 0.00 -1.02 0.00 0.00 39.78 38.25 2bbo n ASN 538 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 2bbo s ILE 539 N -1.81 4.38 -0.14 2.41 2.07 -1.17 -4.87 121.20 122.05 2bbo s ILE 539 Ca 0.49 1.70 -0.29 0.00 -1.41 0.00 0.00 60.65 61.14 2bbo s ILE 539 Cb 0.31 -4.09 -0.01 0.00 0.13 0.00 0.00 42.46 38.80 2bbo s ILE 539 CO 0.24 0.12 1.05 -0.69 -1.91 0.00 0.00 174.94 173.75 2bbo s VAL 540 N 1.13 4.67 0.03 4.00 1.01 -1.26 -2.91 120.40 127.08 2bbo s VAL 540 Ca 0.56 1.97 -0.08 0.00 0.00 0.00 0.00 61.98 64.43 2bbo s VAL 540 Cb -0.26 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.80 2bbo s VAL 540 CO 0.28 -0.06 0.31 -0.76 0.00 0.00 0.00 175.10 174.87 2bbo s LEU 541 N 2.49 4.36 0.00 3.92 1.43 0.13 -2.65 118.68 128.36 2bbo s LEU 541 Ca 0.48 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 2bbo s LEU 541 Cb -0.18 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.26 2bbo s LEU 541 CO 0.14 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.56 2bbo n GLY 542 N 1.05 0.46 0.11 -3.19 0.00 -1.07 -2.26 105.19 100.29 2bbo n GLY 542 Ca -0.10 -1.41 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 2bbo n GLY 542 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bbo h GLU 543 N 0.00 -0.19 0.00 1.61 4.22 -1.96 -3.21 114.58 115.06 2bbo h GLU 543 Ca 0.00 0.01 -0.16 0.00 0.08 0.00 0.00 59.36 59.29 2bbo h GLU 543 Cb 0.00 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2bbo h GLU 543 CO 0.00 -0.06 -1.50 0.41 -2.18 0.00 0.00 179.01 175.69 2bbo n GLY 544 N -0.95 -1.19 0.00 1.92 0.00 -1.26 -4.95 105.19 98.76 2bbo n GLY 544 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2bbo n GLY 544 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bbo n GLY 545 N 1.40 0.34 3.68 -0.02 0.00 -1.21 -5.08 105.19 104.29 2bbo n GLY 545 Ca -0.10 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.22 2bbo n GLY 545 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2bbo s ILE 546 N 0.00 3.64 -0.13 -0.61 2.07 -1.08 -4.76 121.20 120.32 2bbo s ILE 546 Ca 0.00 -1.82 0.02 0.00 -1.41 0.00 0.00 60.65 57.44 2bbo s ILE 546 Cb 0.00 -2.95 0.01 0.00 0.13 0.00 0.00 42.46 39.65 2bbo s ILE 546 CO 0.00 -0.37 -0.20 -0.89 -1.91 0.00 0.00 174.94 171.57 2bbo s THR 547 N -2.29 1.88 0.61 4.00 2.01 -1.26 -2.58 115.64 118.00 2bbo s THR 547 Ca 0.32 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 61.37 2bbo s THR 547 Cb -0.07 -1.68 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 2bbo s THR 547 CO 0.21 0.51 0.96 -0.76 -0.69 0.00 0.00 174.62 174.86 2bbo s LEU 548 N 0.93 3.23 0.62 4.42 2.01 -1.26 -5.07 118.68 123.56 2bbo s LEU 548 Ca -0.05 1.05 -0.18 0.00 0.01 0.00 0.00 54.13 54.96 2bbo s LEU 548 Cb -0.15 -3.95 -0.02 0.00 0.01 0.00 0.00 46.19 42.08 2bbo s LEU 548 CO -0.03 -0.99 1.17 -0.94 1.01 0.00 0.00 176.35 176.57 2bbo s SER 549 N -4.25 5.13 0.55 2.29 1.04 -1.26 -4.82 113.70 112.38 2bbo s SER 549 Ca 0.54 2.26 0.27 0.00 0.48 0.00 0.00 55.95 59.50 2bbo s SER 549 Cb -0.11 -2.58 1.45 0.00 0.10 0.00 0.00 66.02 64.88 2bbo s SER 549 CO 0.49 -1.62 1.98 -0.08 0.98 0.00 0.00 173.24 174.99 2bbo h GLU 550 N 0.60 0.00 -0.13 4.02 4.81 -1.98 -0.10 114.58 121.81 2bbo h GLU 550 Ca -0.49 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 2bbo h GLU 550 Cb 1.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 2bbo h GLU 550 CO 0.54 0.00 0.03 0.78 -0.73 0.00 0.00 179.01 179.63 2bbo h GLY 551 N 0.00 0.22 1.45 1.92 0.00 -1.96 -1.08 103.07 103.62 2bbo h GLY 551 Ca 0.25 -0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 2bbo h GLY 551 CO -0.00 0.13 -0.09 1.46 0.00 0.00 0.00 176.54 178.04 2bbo h GLN 552 N -0.01 0.66 -0.07 4.80 4.20 -1.44 -2.56 115.11 120.69 2bbo h GLN 552 Ca 0.04 -0.20 -0.08 0.00 0.06 0.00 0.00 58.65 58.47 2bbo h GLN 552 Cb 0.27 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2bbo h GLN 552 CO 0.00 0.74 -0.34 1.96 -0.67 0.00 0.00 178.83 180.53 2bbo h GLN 553 N 0.61 0.14 -0.43 1.46 4.20 -1.10 -2.19 115.11 117.81 2bbo h GLN 553 Ca 0.11 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 2bbo h GLN 553 Cb 0.52 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2bbo h GLN 553 CO 0.03 0.47 -0.23 0.00 -0.67 0.00 0.00 178.83 178.43 2bbo h ALA 554 N 1.53 0.60 -0.65 3.87 0.00 -0.90 -1.93 119.26 121.79 2bbo h ALA 554 Ca 0.02 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 2bbo h ALA 554 Cb 0.66 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2bbo h ALA 554 CO 0.05 0.59 0.24 0.87 0.00 0.00 0.00 179.25 181.00 2bbo h LYS 555 N 0.73 0.99 -0.59 0.00 1.57 -1.20 -1.05 116.57 117.02 2bbo h LYS 555 Ca 0.09 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 2bbo h LYS 555 Cb 0.80 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 2bbo h LYS 555 CO 0.07 0.84 0.18 0.82 -0.57 0.00 0.00 179.45 180.78 2bbo h ILE 556 N 0.92 1.24 -0.46 1.86 2.04 -1.41 -0.73 117.51 120.98 2bbo h ILE 556 Ca 0.21 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 2bbo h ILE 556 Cb 0.24 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 2bbo h ILE 556 CO -0.01 0.31 0.10 0.28 0.00 0.00 0.00 178.15 178.84 2bbo h SER 557 N 0.84 0.70 -0.24 1.72 0.02 -1.05 0.17 113.55 115.71 2bbo h SER 557 Ca 0.19 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 2bbo h SER 557 Cb 0.30 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2bbo h SER 557 CO -0.00 0.76 0.04 0.25 -1.14 0.00 0.00 176.83 176.73 2bbo h LEU 558 N 0.61 0.37 -0.46 5.07 5.85 -1.16 -2.40 115.31 123.19 2bbo h LEU 558 Ca 0.14 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.69 2bbo h LEU 558 Cb 0.33 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 2bbo h LEU 558 CO 0.00 0.53 0.06 0.00 -0.34 0.00 0.00 178.44 178.70 2bbo h ALA 559 N 0.86 0.49 -0.45 1.25 0.00 -0.90 0.12 119.26 120.63 2bbo h ALA 559 Ca 0.07 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.16 2bbo h ALA 559 Cb 0.31 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2bbo h ALA 559 CO 0.00 -0.34 0.11 -0.09 0.00 0.00 0.00 179.25 178.94 2bbo h ARG 560 N 0.19 0.25 -0.18 0.00 2.43 -0.57 0.42 114.38 116.92 2bbo h ARG 560 Ca 0.23 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.28 2bbo h ARG 560 Cb 0.31 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2bbo h ARG 560 CO -0.33 0.16 -0.35 0.00 -1.51 0.00 0.00 179.97 177.95 2bbo h ALA 561 N 1.33 1.07 0.12 2.80 0.00 -0.84 -2.91 119.26 120.82 2bbo h ALA 561 Ca 0.22 -0.39 -0.28 0.00 0.00 0.00 0.00 54.91 54.47 2bbo h ALA 561 Cb 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2bbo h ALA 561 CO -0.27 0.58 -1.26 0.28 0.00 0.00 0.00 179.25 178.58 2bbo h VAL 562 N 0.33 1.47 -0.56 0.00 2.07 -0.17 -3.28 116.25 116.10 2bbo h VAL 562 Ca 0.04 -3.05 -0.05 0.00 0.82 0.00 0.00 66.70 64.45 2bbo h VAL 562 Cb 0.77 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 33.44 2bbo h VAL 562 CO 0.06 0.89 0.13 0.22 0.02 0.00 0.00 177.57 178.89 2bbo h TYR 563 N 0.07 0.89 -2.66 1.57 3.20 -0.16 -3.42 116.97 116.46 2bbo h TYR 563 Ca -0.14 -0.09 -0.53 0.00 3.14 0.00 0.00 58.73 61.11 2bbo h TYR 563 Cb 1.97 -0.26 0.03 0.00 1.54 0.00 0.00 36.73 40.01 2bbo h TYR 563 CO 0.06 0.75 1.01 0.21 -1.64 0.00 0.00 178.16 178.55 2bbo s LYS 564 N -5.22 4.18 0.12 1.82 2.20 -1.10 -4.97 119.74 116.76 2bbo s LYS 564 Ca -0.10 2.43 -0.30 0.00 -0.36 0.00 0.00 55.97 57.64 2bbo s LYS 564 Cb 0.15 -3.49 -0.06 0.00 -1.51 0.00 0.00 37.83 32.92 2bbo s LYS 564 CO 0.81 -0.75 0.97 0.34 -0.36 0.00 0.00 175.35 176.36 2bbo s ASP 565 N 2.22 7.49 0.15 1.43 3.68 -1.26 -4.91 116.67 125.47 2bbo s ASP 565 Ca 0.75 1.81 -0.20 0.00 2.13 0.00 0.00 52.55 57.04 2bbo s ASP 565 Cb -0.43 -2.59 0.05 0.00 -1.45 0.00 0.00 42.92 38.50 2bbo s ASP 565 CO 0.33 -0.07 0.52 0.00 0.13 0.00 0.00 175.17 176.08 2bbo s ALA 566 N -0.03 -1.26 0.14 3.66 0.00 -1.26 -4.86 121.76 118.15 2bbo s ALA 566 Ca 0.47 0.19 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 2bbo s ALA 566 Cb -0.24 0.81 -0.06 0.00 0.00 0.00 0.00 23.12 23.63 2bbo s ALA 566 CO 0.30 -0.73 1.33 -0.44 0.00 0.00 0.00 175.76 176.22 2bbo h ASP 567 N 2.16 0.39 -3.40 0.00 5.19 -1.21 -3.46 116.42 116.09 2bbo h ASP 567 Ca -0.33 -0.32 -0.40 0.00 -0.62 0.00 0.00 57.03 55.35 2bbo h ASP 567 Cb 1.28 -0.12 -0.35 0.00 0.18 0.00 0.00 39.33 40.32 2bbo h ASP 567 CO 0.41 1.13 -0.77 -0.22 -3.12 0.00 0.00 179.24 176.67 2bbo s LEU 568 N -7.55 1.06 -0.31 1.55 2.96 -1.01 -3.56 118.68 111.82 2bbo s LEU 568 Ca -0.04 -0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 53.72 2bbo s LEU 568 Cb 0.09 -0.40 0.02 0.00 0.50 0.00 0.00 46.19 46.41 2bbo s LEU 568 CO 0.85 -0.11 0.07 -0.31 -1.32 0.00 0.00 176.35 175.53 2bbo s TYR 569 N 1.28 3.18 -0.53 5.38 1.51 -0.53 -1.05 117.35 126.59 2bbo s TYR 569 Ca -0.06 -1.25 -0.17 0.00 -1.01 0.00 0.00 57.07 54.58 2bbo s TYR 569 Cb -0.13 -2.23 0.10 0.00 -0.11 0.00 0.00 41.96 39.58 2bbo s TYR 569 CO -0.02 -0.66 0.55 -0.51 -1.11 0.00 0.00 175.55 173.79 2bbo s LEU 570 N 1.43 5.63 -0.84 -1.29 1.43 0.51 -0.34 118.68 125.21 2bbo s LEU 570 Ca 0.00 -1.43 -0.11 0.00 -1.03 0.00 0.00 54.13 51.57 2bbo s LEU 570 Cb -0.18 -2.27 0.22 0.00 0.03 0.00 0.00 46.19 43.99 2bbo s LEU 570 CO 0.02 -0.87 0.76 -0.76 0.23 0.00 0.00 176.35 175.73 2bbo s LEU 571 N 2.06 6.43 -1.38 1.79 1.02 0.86 -0.24 118.68 129.22 2bbo s LEU 571 Ca 0.07 -2.89 -0.14 0.00 0.02 0.00 0.00 54.13 51.20 2bbo s LEU 571 Cb -0.25 -2.14 0.08 0.00 0.02 0.00 0.00 46.19 43.90 2bbo s LEU 571 CO 0.06 -0.49 2.02 -0.67 0.02 0.00 0.00 176.35 177.30 2bbo n ASP 572 N 3.65 4.40 -4.70 2.29 2.03 -0.27 -1.34 116.55 122.62 2bbo n ASP 572 Ca 0.15 -2.92 -0.44 0.00 0.52 0.00 0.00 54.79 52.10 2bbo n ASP 572 Cb 0.44 -1.63 -0.03 0.00 -0.72 0.00 0.00 41.12 39.19 2bbo n ASP 572 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2bbo n SER 573 N 5.95 3.31 0.25 1.67 2.88 -1.25 -1.28 113.62 125.15 2bbo n SER 573 Ca 0.48 1.12 0.09 0.00 -1.33 0.00 0.00 58.87 59.23 2bbo n SER 573 Cb 0.40 -1.50 0.63 0.00 -0.75 0.00 0.00 64.21 62.99 2bbo n SER 573 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2bbo h PRO 574 N 4.98 0.00 -6.57 -1.46 0.11 -1.73 -3.39 132.00 123.94 2bbo h PRO 574 Ca -0.45 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.13 2bbo h PRO 574 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2bbo h PRO 574 CO 0.81 0.14 0.44 -0.06 -0.21 0.00 0.00 178.00 179.13 2bbo s PHE 575 N -4.44 3.64 0.00 0.65 0.08 -1.26 -3.08 117.98 113.58 2bbo s PHE 575 Ca -0.04 1.63 0.00 0.00 0.12 0.00 0.00 56.93 58.64 2bbo s PHE 575 Cb 0.15 -3.21 0.00 0.00 -0.57 0.00 0.00 43.02 39.38 2bbo s PHE 575 CO 0.64 -0.39 0.00 0.41 -0.10 0.00 0.00 175.22 175.77 2bbo n GLY 576 N 2.39 2.03 0.00 4.36 0.00 -1.26 -4.80 105.19 107.91 2bbo n GLY 576 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2bbo n GLY 576 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bbo n TYR 577 N 0.00 0.00 -4.36 1.61 4.01 -1.18 -4.75 117.16 112.49 2bbo n TYR 577 Ca 0.00 -0.02 -0.24 0.00 -0.16 0.00 0.00 57.90 57.48 2bbo n TYR 577 Cb 0.00 -0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.91 2bbo n TYR 577 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2bbo s LEU 578 N -0.03 2.43 -0.54 7.72 1.43 -1.18 -4.84 118.68 123.65 2bbo s LEU 578 Ca 0.00 -0.85 -0.07 0.00 -1.03 0.00 0.00 54.13 52.18 2bbo s LEU 578 Cb 0.00 -0.96 0.14 0.00 0.03 0.00 0.00 46.19 45.40 2bbo s LEU 578 CO 0.00 0.03 0.39 -1.81 0.23 0.00 0.00 176.35 175.19 2bbo s ASP 579 N -2.62 5.60 -0.20 2.29 1.01 -1.26 -4.61 116.67 116.88 2bbo s ASP 579 Ca 0.17 -2.29 -0.04 0.00 0.71 0.00 0.00 52.55 51.10 2bbo s ASP 579 Cb -0.07 -1.95 -0.01 0.00 1.01 0.00 0.00 42.92 41.89 2bbo s ASP 579 CO 0.08 -0.56 -0.04 -0.69 0.21 0.00 0.00 175.17 174.16 2bbo s VAL 580 N 0.78 3.52 0.57 -1.27 1.01 -1.26 -5.00 120.40 118.75 2bbo s VAL 580 Ca 0.11 -0.46 0.31 0.00 0.00 0.00 0.00 61.98 61.94 2bbo s VAL 580 Cb -0.22 -2.58 0.45 0.00 0.00 0.00 0.00 36.38 34.03 2bbo s VAL 580 CO -0.03 0.44 1.83 -0.07 0.00 0.00 0.00 175.10 177.27 2bbo h LEU 581 N 7.64 0.00 -3.19 3.92 -0.00 -2.01 -2.24 115.31 119.44 2bbo h LEU 581 Ca -0.37 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.48 2bbo h LEU 581 Cb 1.18 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.82 2bbo h LEU 581 CO 0.60 0.00 -0.04 1.07 -0.00 0.00 0.00 178.44 180.07 2bbo n THR 582 N -3.94 2.22 0.01 0.22 5.66 -1.26 -4.69 114.28 112.50 2bbo n THR 582 Ca 0.16 -2.21 -0.05 0.00 -3.05 0.00 0.00 64.05 58.91 2bbo n THR 582 Cb 0.95 -0.26 0.16 0.00 -1.55 0.00 0.00 70.33 69.63 2bbo n THR 582 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2bbo h GLU 583 N 1.11 0.50 -0.83 1.09 4.81 -1.84 -2.65 114.58 116.78 2bbo h GLU 583 Ca 0.04 -0.22 0.02 0.00 -0.13 0.00 0.00 59.36 59.07 2bbo h GLU 583 Cb 1.34 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.66 2bbo h GLU 583 CO 0.18 0.77 0.54 -0.22 -0.73 0.00 0.00 179.01 179.55 2bbo h LYS 584 N 0.43 1.04 -0.21 1.92 3.64 -1.84 -1.33 116.57 120.23 2bbo h LYS 584 Ca 0.05 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 2bbo h LYS 584 Cb 0.78 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2bbo h LYS 584 CO 0.06 0.69 -0.23 0.93 -2.27 0.00 0.00 179.45 178.64 2bbo h GLU 585 N 1.08 0.38 -0.32 1.90 3.07 -1.85 -1.81 114.58 117.02 2bbo h GLU 585 Ca 0.32 -0.13 -0.05 0.00 -0.50 0.00 0.00 59.36 59.00 2bbo h GLU 585 Cb -0.06 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 2bbo h GLU 585 CO -0.09 0.59 -0.02 0.82 -1.40 0.00 0.00 179.01 178.91 2bbo h ILE 586 N 0.34 1.26 -0.37 3.13 2.04 -1.03 -1.61 117.51 121.27 2bbo h ILE 586 Ca 0.06 -0.99 -0.09 0.00 1.00 0.00 0.00 64.86 64.83 2bbo h ILE 586 Cb 0.59 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2bbo h ILE 586 CO 0.04 0.32 -0.13 0.15 0.00 0.00 0.00 178.15 178.54 2bbo h PHE 587 N 0.36 0.85 -0.23 1.37 3.57 -1.02 0.10 116.94 121.94 2bbo h PHE 587 Ca 0.09 -0.19 -0.08 0.00 3.53 0.00 0.00 57.97 61.31 2bbo h PHE 587 Cb 0.47 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 2bbo h PHE 587 CO 0.04 0.91 -0.18 0.93 -2.23 0.00 0.00 178.31 177.78 2bbo h GLU 588 N 0.55 0.53 0.21 1.11 5.08 -1.38 -1.10 114.58 119.58 2bbo h GLU 588 Ca 0.09 -0.26 -0.34 0.00 -1.00 0.00 0.00 59.36 57.85 2bbo h GLU 588 Cb 0.66 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.93 2bbo h GLU 588 CO 0.04 0.83 -1.61 0.77 -1.00 0.00 0.00 179.01 178.05 2bbo h SER 589 N 0.23 0.69 0.00 1.42 0.02 -1.30 -2.94 113.55 111.68 2bbo h SER 589 Ca 0.04 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.06 2bbo h SER 589 Cb 0.71 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2bbo h SER 589 CO 0.05 1.75 0.00 0.00 -1.14 0.00 0.00 176.83 177.48 2bbo h VAL 591 N 0.00 1.26 0.07 0.00 2.07 -1.49 0.09 116.25 118.24 2bbo h VAL 591 Ca 0.00 -0.57 -0.24 0.00 0.82 0.00 0.00 66.70 66.71 2bbo h VAL 591 Cb 0.00 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 2bbo h VAL 591 CO 0.00 0.27 -1.24 0.00 0.02 0.00 0.00 177.57 176.62 2bbo n LYS 593 N -4.13 0.49 -0.07 0.00 5.02 -1.11 -3.42 118.16 114.93 2bbo n LYS 593 Ca -0.26 0.21 0.02 0.00 -2.02 0.00 0.00 58.31 56.26 2bbo n LYS 593 Cb 0.79 -1.33 0.34 0.00 -0.02 0.00 0.00 35.03 34.82 2bbo n LYS 593 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2bbo h LEU 594 N -0.86 0.60 -3.38 -0.35 5.85 -0.77 -2.78 115.31 113.63 2bbo h LEU 594 Ca -0.36 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 2bbo h LEU 594 Cb 1.26 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2bbo h LEU 594 CO -0.22 0.47 0.01 0.23 -0.34 0.00 0.00 178.44 178.59 2bbo n MET 595 N -4.42 3.59 -0.23 1.25 2.81 -0.00 -4.71 117.12 115.41 2bbo n MET 595 Ca 0.04 -2.97 0.16 0.00 -1.81 0.00 0.00 57.70 53.12 2bbo n MET 595 Cb 0.08 -2.00 0.47 0.00 -0.71 0.00 0.00 33.22 31.06 2bbo n MET 595 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2bbo h ALA 596 N 2.54 2.06 -0.63 3.04 0.00 -1.51 -1.62 119.26 123.14 2bbo h ALA 596 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2bbo h ALA 596 Cb 1.66 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2bbo h ALA 596 CO 0.33 -0.31 0.00 0.09 0.00 0.00 0.00 179.25 179.36 2bbo n ASN 597 N -4.52 3.97 -4.71 0.00 3.02 -1.26 -4.75 115.26 107.02 2bbo n ASN 597 Ca 0.17 -2.20 -0.34 0.00 -0.03 0.00 0.00 54.58 52.18 2bbo n ASN 597 Cb 0.57 -0.50 -0.09 0.00 -0.61 0.00 0.00 39.78 39.16 2bbo n ASN 597 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2bbo s LYS 598 N -1.47 2.96 -0.07 3.52 -0.14 -0.61 -4.48 119.74 119.44 2bbo s LYS 598 Ca 0.46 -0.46 -0.30 0.00 -1.36 0.00 0.00 55.97 54.31 2bbo s LYS 598 Cb 0.27 -2.79 -0.02 0.00 -1.68 0.00 0.00 37.83 33.61 2bbo s LYS 598 CO 0.26 0.68 1.03 0.99 -0.76 0.00 0.00 175.35 177.55 2bbo s THR 599 N -1.00 4.71 0.06 2.17 2.01 -1.24 -4.04 115.64 118.31 2bbo s THR 599 Ca 0.17 1.98 -0.12 0.00 0.31 0.00 0.00 61.69 64.02 2bbo s THR 599 Cb -0.12 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.14 2bbo s THR 599 CO 0.07 0.04 0.27 0.00 -0.69 0.00 0.00 174.62 174.30 2bbo s ARG 600 N 1.82 0.82 -0.10 4.92 1.70 -0.90 -1.45 118.95 125.76 2bbo s ARG 600 Ca 0.50 -0.65 0.00 0.00 -0.47 0.00 0.00 55.73 55.11 2bbo s ARG 600 Cb -0.20 0.35 0.02 0.00 -0.57 0.00 0.00 34.95 34.55 2bbo s ARG 600 CO 0.21 -0.27 -0.08 0.42 -1.08 0.00 0.00 175.30 174.50 2bbo s ILE 601 N -2.98 1.01 -0.25 4.99 1.01 0.54 -1.77 121.20 123.74 2bbo s ILE 601 Ca -0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 2bbo s ILE 601 Cb 0.01 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.49 2bbo s ILE 601 CO -0.06 0.35 -0.04 -0.22 0.00 0.00 0.00 174.94 174.98 2bbo s LEU 602 N 1.41 3.18 -0.18 2.97 2.96 0.43 -0.10 118.68 129.36 2bbo s LEU 602 Ca -0.01 -0.70 -0.29 0.00 -0.22 0.00 0.00 54.13 52.92 2bbo s LEU 602 Cb -0.13 -1.72 -0.00 0.00 0.50 0.00 0.00 46.19 44.84 2bbo s LEU 602 CO -0.05 -0.10 1.00 -0.69 -1.32 0.00 0.00 176.35 175.19 2bbo s VAL 603 N 1.40 4.75 0.00 1.68 1.01 -0.45 -0.15 120.40 128.64 2bbo s VAL 603 Ca 0.02 1.98 -0.11 0.00 0.00 0.00 0.00 61.98 63.87 2bbo s VAL 603 Cb -0.16 -4.29 0.01 0.00 0.00 0.00 0.00 36.38 31.95 2bbo s VAL 603 CO -0.03 -0.08 0.21 0.28 0.00 0.00 0.00 175.10 175.48 2bbo s THR 604 N 2.61 0.08 -0.17 3.92 -1.32 -0.05 -3.84 115.64 116.87 2bbo s THR 604 Ca 0.45 -0.64 0.11 0.00 -1.21 0.00 0.00 61.69 60.39 2bbo s THR 604 Cb -0.16 -0.58 0.21 0.00 -1.51 0.00 0.00 72.50 70.45 2bbo s THR 604 CO 0.11 -0.35 1.13 -1.54 -2.21 0.00 0.00 174.62 171.77 2bbo n SER 605 N 1.25 2.45 -4.64 8.08 3.41 -1.26 -4.17 113.62 118.74 2bbo n SER 605 Ca -0.22 -2.55 -0.34 0.00 -0.26 0.00 0.00 58.87 55.50 2bbo n SER 605 Cb 0.56 -0.26 -0.10 0.00 -0.26 0.00 0.00 64.21 64.15 2bbo n SER 605 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2bbo s LYS 606 N -1.95 2.84 0.19 4.33 1.02 -1.26 -4.84 119.74 120.06 2bbo s LYS 606 Ca 0.20 -0.51 0.10 0.00 0.02 0.00 0.00 55.97 55.78 2bbo s LYS 606 Cb 0.16 -2.68 0.01 0.00 -0.52 0.00 0.00 37.83 34.80 2bbo s LYS 606 CO 0.04 0.67 1.41 0.52 -0.92 0.00 0.00 175.35 177.07 2bbo h MET 607 N 5.02 0.00 -0.54 1.68 2.86 -1.94 -3.06 114.93 118.95 2bbo h MET 607 Ca -0.50 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.13 2bbo h MET 607 Cb 1.18 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.81 2bbo h MET 607 CO 0.54 0.81 0.29 1.49 1.06 0.00 0.00 176.91 181.10 2bbo h GLU 608 N 0.00 0.73 -0.43 1.72 4.81 -1.99 -1.38 114.58 118.05 2bbo h GLU 608 Ca -0.01 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.00 2bbo h GLU 608 Cb 1.51 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.73 2bbo h GLU 608 CO 0.10 0.54 -0.31 0.45 -0.73 0.00 0.00 179.01 179.06 2bbo h HIS 609 N 0.74 1.14 -0.44 0.92 3.86 -1.96 -1.86 115.15 117.55 2bbo h HIS 609 Ca 0.19 -0.31 -0.08 0.00 -1.16 0.00 0.00 60.37 59.01 2bbo h HIS 609 Cb 0.02 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 2bbo h HIS 609 CO 0.00 1.14 -0.05 -0.07 0.86 0.00 0.00 177.93 179.82 2bbo h LEU 610 N 0.80 0.74 -0.63 2.43 4.07 -1.46 -2.33 115.31 118.92 2bbo h LEU 610 Ca 0.08 -0.19 -0.12 0.00 0.08 0.00 0.00 57.88 57.73 2bbo h LEU 610 Cb 0.90 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 2bbo h LEU 610 CO 0.08 0.84 -0.20 0.50 -1.08 0.00 0.00 178.44 178.58 2bbo h LYS 611 N 0.70 0.87 -0.01 1.13 3.64 -1.06 -3.13 116.57 118.72 2bbo h LYS 611 Ca 0.13 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2bbo h LYS 611 Cb 0.50 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2bbo h LYS 611 CO 0.03 0.99 -0.23 1.63 -2.27 0.00 0.00 179.45 179.59 2bbo n LYS 612 N -4.12 0.82 -2.49 1.90 4.01 -0.72 -4.88 118.16 112.68 2bbo n LYS 612 Ca 0.00 -0.45 -0.33 0.00 -0.51 0.00 0.00 58.31 57.02 2bbo n LYS 612 Cb 0.43 -1.49 -0.04 0.00 -0.51 0.00 0.00 35.03 33.42 2bbo n LYS 612 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2bbo s ALA 613 N -2.50 2.96 0.11 7.82 0.00 -0.88 -4.98 121.76 124.29 2bbo s ALA 613 Ca 0.25 0.37 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 2bbo s ALA 613 Cb 0.19 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 20.04 2bbo s ALA 613 CO 0.51 -0.24 1.39 -0.44 0.00 0.00 0.00 175.76 176.99 2bbo h ASP 614 N 1.26 0.87 -4.88 0.00 3.32 -1.81 -3.45 116.42 111.74 2bbo h ASP 614 Ca -0.48 -0.52 -0.22 0.00 0.02 0.00 0.00 57.03 55.83 2bbo h ASP 614 Cb 1.20 -0.25 -0.21 0.00 0.22 0.00 0.00 39.33 40.29 2bbo h ASP 614 CO 0.60 1.23 -0.72 -0.54 -1.72 0.00 0.00 179.24 178.10 2bbo s LYS 615 N -4.16 0.42 0.10 3.56 -0.14 -0.92 -4.64 119.74 113.96 2bbo s LYS 615 Ca -0.11 -0.70 0.06 0.00 -1.36 0.00 0.00 55.97 53.86 2bbo s LYS 615 Cb 0.09 -0.08 -0.03 0.00 -1.68 0.00 0.00 37.83 36.12 2bbo s LYS 615 CO 0.87 -0.00 -0.17 0.96 -0.76 0.00 0.00 175.35 176.25 2bbo s ILE 616 N -1.48 1.39 -0.08 2.17 -4.36 0.17 -1.02 121.20 117.99 2bbo s ILE 616 Ca -0.12 -1.49 -0.01 0.00 -0.26 0.00 0.00 60.65 58.77 2bbo s ILE 616 Cb -0.10 -1.35 0.03 0.00 1.25 0.00 0.00 42.46 42.29 2bbo s ILE 616 CO -0.00 -0.20 -0.02 -0.22 0.24 0.00 0.00 174.94 174.73 2bbo s LEU 617 N -1.96 0.75 -0.31 0.37 0.20 0.45 -2.00 118.68 116.17 2bbo s LEU 617 Ca 0.04 -0.14 -0.09 0.00 0.69 0.00 0.00 54.13 54.63 2bbo s LEU 617 Cb -0.09 -0.54 -0.00 0.00 -0.43 0.00 0.00 46.19 45.13 2bbo s LEU 617 CO 0.03 -0.17 0.14 -0.63 -0.29 0.00 0.00 176.35 175.43 2bbo s ILE 618 N 1.88 4.47 -0.08 6.68 -1.09 -0.22 -0.86 121.20 131.98 2bbo s ILE 618 Ca 0.05 -0.48 -0.02 0.00 -2.23 0.00 0.00 60.65 57.97 2bbo s ILE 618 Cb -0.12 -3.29 -0.03 0.00 -1.58 0.00 0.00 42.46 37.44 2bbo s ILE 618 CO -0.06 0.07 0.01 -0.22 -1.23 0.00 0.00 174.94 173.51 2bbo s LEU 619 N 1.59 3.62 -0.19 2.97 2.96 -0.40 -0.01 118.68 129.22 2bbo s LEU 619 Ca 0.04 0.15 -0.11 0.00 -0.22 0.00 0.00 54.13 53.99 2bbo s LEU 619 Cb -0.17 -1.86 0.06 0.00 0.50 0.00 0.00 46.19 44.72 2bbo s LEU 619 CO 0.05 0.37 0.46 -2.28 -1.32 0.00 0.00 176.35 173.63 2bbo s HIS 620 N -0.92 -0.67 -1.58 5.38 5.65 0.10 -3.07 115.29 120.18 2bbo s HIS 620 Ca 0.14 1.42 -0.05 0.00 0.25 0.00 0.00 55.06 56.82 2bbo s HIS 620 Cb -0.11 0.32 0.05 0.00 -1.18 0.00 0.00 32.58 31.66 2bbo s HIS 620 CO 0.03 -0.37 0.24 0.39 -0.65 0.00 0.00 174.74 174.39 2bbo n GLU 621 N 4.18 -1.59 0.00 2.88 1.02 -1.26 -0.49 120.64 125.38 2bbo n GLU 621 Ca -0.22 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2bbo n GLU 621 Cb 0.56 -4.08 0.00 0.00 -0.02 0.00 0.00 31.44 27.90 2bbo n GLU 621 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bbo n GLY 622 N -2.13 2.54 3.75 0.62 0.00 -0.47 -4.93 105.19 104.57 2bbo n GLY 622 Ca -0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 2bbo n GLY 622 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bbo s SER 623 N -3.22 5.30 -0.47 1.61 0.01 0.35 0.13 113.70 117.42 2bbo s SER 623 Ca 0.00 -0.17 -0.22 0.00 1.31 0.00 0.00 55.95 56.87 2bbo s SER 623 Cb 0.00 -1.33 0.03 0.00 0.21 0.00 0.00 66.02 64.93 2bbo s SER 623 CO 0.00 0.10 0.75 -0.55 0.41 0.00 0.00 173.24 173.95 2bbo s SER 624 N -2.85 6.36 0.05 2.44 0.15 -1.26 -0.72 113.70 117.86 2bbo s SER 624 Ca 0.29 -0.30 0.25 0.00 0.70 0.00 0.00 55.95 56.90 2bbo s SER 624 Cb -0.10 -2.36 0.52 0.00 -1.71 0.00 0.00 66.02 62.36 2bbo s SER 624 CO 0.21 -0.92 1.43 -1.22 1.20 0.00 0.00 173.24 173.95 2bbo n TYR 625 N 6.63 0.23 -3.64 3.44 4.02 0.99 -4.84 117.16 123.99 2bbo n TYR 625 Ca 0.00 0.07 -0.10 0.00 -0.01 0.00 0.00 57.90 57.86 2bbo n TYR 625 Cb 0.48 -0.44 -0.07 0.00 -0.02 0.00 0.00 39.34 39.28 2bbo n TYR 625 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 2bbo s PHE 626 N -3.07 -0.87 -0.04 -0.72 5.36 -1.19 -4.96 117.98 112.49 2bbo s PHE 626 Ca 0.09 1.90 -0.00 0.00 -0.96 0.00 0.00 56.93 57.96 2bbo s PHE 626 Cb 0.16 0.45 0.03 0.00 -0.34 0.00 0.00 43.02 43.31 2bbo s PHE 626 CO 0.69 -0.43 0.02 -0.47 -1.46 0.00 0.00 175.22 173.57 2bbo s TYR 627 N 0.99 0.27 -4.87 10.12 5.04 -1.26 -1.05 117.35 126.59 2bbo s TYR 627 Ca -0.05 0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.63 2bbo s TYR 627 Cb -0.05 -0.46 0.00 0.00 0.35 0.00 0.00 41.96 41.80 2bbo s TYR 627 CO -0.10 -0.17 0.00 0.41 -1.34 0.00 0.00 175.55 174.35 2bbo n GLY 628 N 4.56 -0.16 3.99 8.97 0.00 -0.85 -5.00 105.19 116.70 2bbo n GLY 628 Ca -0.19 -0.99 -0.19 0.00 0.00 0.00 0.00 46.02 44.66 2bbo n GLY 628 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbo s THR 629 N -4.00 3.27 0.19 2.61 -4.23 -1.26 0.44 115.64 112.67 2bbo s THR 629 Ca 0.00 -0.91 -0.10 0.00 -1.18 0.00 0.00 61.69 59.50 2bbo s THR 629 Cb 0.00 -3.13 0.12 0.00 1.34 0.00 0.00 72.50 70.83 2bbo s THR 629 CO 0.00 -0.06 1.79 0.15 -0.54 0.00 0.00 174.62 175.96 2bbo h PHE 630 N 0.59 1.00 -0.27 3.99 3.57 -1.87 -1.28 116.94 122.67 2bbo h PHE 630 Ca -0.42 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.09 2bbo h PHE 630 Cb 1.28 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.65 2bbo h PHE 630 CO 0.40 0.74 -0.08 0.77 -2.23 0.00 0.00 178.31 177.92 2bbo h SER 631 N 0.98 -0.27 -0.89 0.41 0.02 -1.95 0.79 113.55 112.63 2bbo h SER 631 Ca 0.24 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 2bbo h SER 631 Cb 0.10 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 2bbo h SER 631 CO -0.03 -0.10 0.51 -0.33 -1.14 0.00 0.00 176.83 175.73 2bbo h GLU 632 N -0.01 1.23 0.02 3.45 5.08 -1.89 -0.34 114.58 122.11 2bbo h GLU 632 Ca 0.13 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bbo h GLU 632 Cb 0.21 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2bbo h GLU 632 CO -0.28 0.88 -0.01 1.25 -1.00 0.00 0.00 179.01 179.85 2bbo h LEU 633 N 1.24 -0.02 -1.41 1.33 5.85 -0.74 0.68 115.31 122.24 2bbo h LEU 633 Ca 0.32 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 2bbo h LEU 633 Cb -0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2bbo h LEU 633 CO -0.05 0.03 0.27 -0.61 -0.34 0.00 0.00 178.44 177.74 2bbo h GLN 634 N -0.07 0.67 0.09 1.25 4.15 -0.55 -1.39 115.11 119.26 2bbo h GLN 634 Ca -0.00 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.23 2bbo h GLN 634 Cb 0.06 -0.14 0.01 0.00 0.21 0.00 0.00 27.48 27.62 2bbo h GLN 634 CO 0.00 0.50 -0.54 -0.97 -1.93 0.00 0.00 178.83 175.89 2bbo h ASN 635 N 0.68 0.28 0.62 -0.69 -0.73 -0.79 -3.29 115.58 111.67 2bbo h ASN 635 Ca 0.18 -0.96 -0.18 0.00 1.87 0.00 0.00 56.30 57.20 2bbo h ASN 635 Cb 0.02 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 2bbo h ASN 635 CO -0.03 1.26 -0.82 0.25 -0.37 0.00 0.00 177.43 177.71 2bbo h LEU 636 N -0.62 0.18 -6.29 0.34 5.85 0.42 -3.38 115.31 111.82 2bbo h LEU 636 Ca -0.10 -0.14 -0.58 0.00 0.84 0.00 0.00 57.88 57.90 2bbo h LEU 636 Cb 1.40 -0.06 -0.39 0.00 0.37 0.00 0.00 40.66 41.98 2bbo h LEU 636 CO 0.09 0.92 -0.93 0.00 -0.34 0.00 0.00 178.44 178.18 2bbo n GLN 637 N -3.66 0.89 -0.14 1.25 6.02 -0.53 -5.00 117.38 116.21 2bbo n GLN 637 Ca -0.03 -3.54 -0.12 0.00 -0.01 0.00 0.00 57.00 53.30 2bbo n GLN 637 Cb 0.77 -1.64 -0.01 0.00 1.02 0.00 0.00 30.24 30.38 2bbo n GLN 637 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2bbo h PRO 638 N 4.78 0.96 -0.74 -1.09 0.13 -1.74 -1.16 132.00 133.15 2bbo h PRO 638 Ca 0.17 -0.46 -0.02 0.00 -0.87 0.00 0.00 66.00 64.82 2bbo h PRO 638 Cb 0.85 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.93 2bbo h PRO 638 CO 0.51 1.12 0.38 -0.44 -0.23 0.00 0.00 178.00 179.34 2bbo h ASP 639 N 0.80 0.95 -0.67 1.44 3.32 -1.94 0.14 116.42 120.46 2bbo h ASP 639 Ca 0.09 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 2bbo h ASP 639 Cb 0.88 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 2bbo h ASP 639 CO 0.08 0.79 0.33 0.15 -1.72 0.00 0.00 179.24 178.87 2bbo h PHE 640 N 1.03 0.95 -0.17 4.55 3.04 -1.95 -3.03 116.94 121.36 2bbo h PHE 640 Ca 0.26 -0.04 -0.03 0.00 3.98 0.00 0.00 57.97 62.14 2bbo h PHE 640 Cb 0.08 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.29 2bbo h PHE 640 CO 0.00 0.71 0.00 0.77 -2.02 0.00 0.00 178.31 177.78 2bbo h SER 641 N 0.92 0.29 0.40 0.41 0.02 -0.52 -3.06 113.55 112.00 2bbo h SER 641 Ca 0.23 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 2bbo h SER 641 Cb 0.11 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2bbo h SER 641 CO -0.03 0.52 -0.10 0.77 -1.14 0.00 0.00 176.83 176.85 2bbo h SER 642 N 0.05 0.00 1.57 3.07 4.64 -0.77 1.26 113.55 123.37 2bbo h SER 642 Ca 0.05 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 2bbo h SER 642 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2bbo h SER 642 CO 0.01 0.10 -0.27 0.50 -0.87 0.00 0.00 176.83 176.30 2bbo h LYS 643 N 0.00 0.00 0.00 4.77 1.63 -1.43 -3.36 116.57 118.18 2bbo h LYS 643 Ca -0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2bbo h LYS 643 Cb 0.33 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 2bbo h LYS 643 CO 0.01 0.27 -1.10 1.28 -3.45 0.00 0.00 179.45 176.46 2bbo n LEU 644 N -3.20 0.00 -3.95 5.20 4.77 -0.50 -5.09 117.00 114.23 2bbo n LEU 644 Ca 0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.71 2bbo n LEU 644 Cb 0.60 0.01 -0.16 0.00 -2.33 0.00 0.00 43.42 41.54 2bbo n LEU 644 CO 0.37 0.01 -0.44 -0.04 -1.33 0.00 0.00 177.39 175.95 2bbo s MET 645 N -2.14 1.76 0.00 3.23 -1.94 0.42 -4.70 119.30 115.93 2bbo s MET 645 Ca -0.01 -0.77 0.00 0.00 -1.71 0.00 0.00 55.69 53.20 2bbo s MET 645 Cb 0.01 -2.33 0.00 0.00 2.01 0.00 0.00 34.83 34.53 2bbo s MET 645 CO 0.09 -0.46 0.00 -1.13 -0.01 0.00 0.00 175.02 173.50 2bbo n SER 649 N 4.74 0.00 -0.07 3.03 3.41 -1.26 -4.82 113.62 118.66 2bbo n SER 649 Ca -0.13 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.45 2bbo n SER 649 Cb 0.46 -0.09 0.20 0.00 -0.26 0.00 0.00 64.21 64.53 2bbo n SER 649 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2bbo h PHE 650 N 0.00 0.74 0.00 7.33 3.57 -1.99 -2.82 116.94 123.77 2bbo h PHE 650 Ca 0.00 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.40 2bbo h PHE 650 Cb 0.00 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.54 2bbo h PHE 650 CO 0.00 0.70 0.00 -0.25 -2.23 0.00 0.00 178.31 176.53 2bbo n ASP 651 N -4.23 0.00 0.10 0.41 9.92 -1.26 -2.37 116.55 119.12 2bbo n ASP 651 Ca 0.02 0.47 0.12 0.00 -0.53 0.00 0.00 54.79 54.88 2bbo n ASP 651 Cb 0.29 -0.49 0.25 0.00 -0.64 0.00 0.00 41.12 40.53 2bbo n ASP 651 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 2bbo h GLN 652 N 0.00 0.00 -7.27 -1.24 4.20 -1.95 -3.46 115.11 105.39 2bbo h GLN 652 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 2bbo h GLN 652 Cb 0.31 0.00 0.12 0.00 0.30 0.00 0.00 27.48 28.21 2bbo h GLN 652 CO 0.00 0.00 0.34 -0.06 -0.67 0.00 0.00 178.83 178.44 2bbo s PHE 653 N -3.16 2.61 0.61 2.96 2.99 -1.00 -5.02 117.98 117.97 2bbo s PHE 653 Ca 0.07 1.55 -0.16 0.00 0.00 0.00 0.00 56.93 58.39 2bbo s PHE 653 Cb 0.12 -3.09 -0.02 0.00 0.00 0.00 0.00 43.02 40.02 2bbo s PHE 653 CO 0.67 -1.73 1.10 -1.54 -0.00 0.00 0.00 175.22 173.72 2bbo s SER 654 N -3.07 5.44 0.22 1.36 1.04 -1.26 -4.75 113.70 112.68 2bbo s SER 654 Ca 0.63 2.00 -0.12 0.00 0.48 0.00 0.00 55.95 58.94 2bbo s SER 654 Cb -0.18 -2.55 0.29 0.00 0.10 0.00 0.00 66.02 63.67 2bbo s SER 654 CO 0.50 -1.40 1.62 0.00 0.98 0.00 0.00 173.24 174.94 2bbo h ALA 655 N 0.45 0.49 -0.98 5.32 0.00 -1.89 0.21 119.26 122.86 2bbo h ALA 655 Ca -0.48 0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.72 2bbo h ALA 655 Cb 1.24 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 19.48 2bbo h ALA 655 CO 0.56 -0.42 0.65 1.49 0.00 0.00 0.00 179.25 181.52 2bbo h GLU 656 N 0.01 1.25 -0.13 0.00 4.81 -1.88 -1.46 114.58 117.17 2bbo h GLU 656 Ca 0.34 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 2bbo h GLU 656 Cb 0.53 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2bbo h GLU 656 CO -0.69 0.83 -0.31 -0.09 -0.73 0.00 0.00 179.01 178.01 2bbo h ARG 657 N 1.28 0.45 -0.85 1.92 9.65 -1.43 -2.63 114.38 122.77 2bbo h ARG 657 Ca 0.38 -0.30 0.01 0.00 -1.10 0.00 0.00 59.98 58.97 2bbo h ARG 657 Cb -0.07 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.51 2bbo h ARG 657 CO -0.10 0.91 0.56 0.00 2.80 0.00 0.00 179.97 184.14 2bbo h ARG 658 N 0.05 1.10 -0.13 0.20 3.08 -0.49 -1.17 114.38 117.01 2bbo h ARG 658 Ca -0.00 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 2bbo h ARG 658 Cb 0.91 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2bbo h ARG 658 CO 0.07 0.73 -0.26 -0.91 -1.07 0.00 0.00 179.97 178.52 2bbo h ASN 659 N 1.14 0.24 0.30 7.04 2.35 -1.32 -1.25 115.58 124.08 2bbo h ASN 659 Ca 0.32 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 2bbo h ASN 659 Cb -0.10 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.21 2bbo h ASN 659 CO -0.08 0.51 -0.14 0.28 -1.65 0.00 0.00 177.43 176.35 2bbo h SER 660 N 0.22 -0.34 -0.64 5.81 0.02 -0.98 -1.05 113.55 116.58 2bbo h SER 660 Ca 0.03 -0.18 0.09 0.00 -0.84 0.00 0.00 61.79 60.89 2bbo h SER 660 Cb 0.59 0.09 -0.07 0.00 0.14 0.00 0.00 62.40 63.15 2bbo h SER 660 CO 0.04 0.02 0.29 0.40 -1.14 0.00 0.00 176.83 176.44 2bbo h ILE 661 N -0.74 0.83 -0.21 3.27 2.04 -1.18 0.45 117.51 121.97 2bbo h ILE 661 Ca -0.04 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.67 2bbo h ILE 661 Cb 0.50 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2bbo h ILE 661 CO 0.07 0.09 0.03 -0.07 0.00 0.00 0.00 178.15 178.27 2bbo h LEU 662 N 0.51 -0.01 0.28 1.44 3.38 -1.24 0.14 115.31 119.80 2bbo h LEU 662 Ca 0.32 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 2bbo h LEU 662 Cb 0.34 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2bbo h LEU 662 CO -0.27 0.02 -0.13 0.74 0.09 0.00 0.00 178.44 178.89 2bbo h THR 663 N 0.11 0.74 -0.44 0.22 2.02 -0.45 0.10 112.91 115.21 2bbo h THR 663 Ca 0.09 -0.10 0.09 0.00 0.77 0.00 0.00 66.41 67.26 2bbo h THR 663 Cb 0.10 0.80 -0.08 0.00 -1.74 0.00 0.00 68.15 67.22 2bbo h THR 663 CO -0.13 0.02 -0.06 -0.08 0.37 0.00 0.00 175.52 175.64 2bbo h GLU 664 N -0.43 0.04 -0.23 6.66 4.81 -0.03 -0.91 114.58 124.50 2bbo h GLU 664 Ca -0.04 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2bbo h GLU 664 Cb 0.32 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2bbo h GLU 664 CO 0.06 0.03 0.05 1.15 -0.73 0.00 0.00 179.01 179.57 2bbo h THR 665 N 0.04 1.22 -0.03 0.32 2.02 -0.55 -2.99 112.91 112.95 2bbo h THR 665 Ca 0.22 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 2bbo h THR 665 Cb 0.33 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2bbo h THR 665 CO -0.42 0.22 -0.11 -0.07 0.37 0.00 0.00 175.52 175.52 2bbo h LEU 666 N 0.19 0.04 -0.45 2.58 4.07 -0.55 -2.35 115.31 118.84 2bbo h LEU 666 Ca 0.07 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.03 2bbo h LEU 666 Cb 0.29 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.02 2bbo h LEU 666 CO 0.00 0.16 0.00 0.54 -1.08 0.00 0.00 178.44 178.06 2bbo n ARG 667 N -4.38 0.12 0.21 1.13 1.74 -0.37 -2.02 116.66 113.09 2bbo n ARG 667 Ca -0.02 0.37 0.09 0.00 -0.77 0.00 0.00 57.85 57.52 2bbo n ARG 667 Cb 0.20 -1.73 0.41 0.00 -1.02 0.00 0.00 32.46 30.32 2bbo n ARG 667 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bbo h ARG 668 N 0.00 0.00 -5.29 5.56 3.08 -1.46 -3.38 114.38 112.89 2bbo h ARG 668 Ca 0.00 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.65 2bbo h ARG 668 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2bbo h ARG 668 CO 0.00 0.24 1.32 1.19 -1.07 0.00 0.00 179.97 181.65 2bbo n PHE 669 N -3.35 2.62 -3.77 3.04 3.72 -0.86 -4.69 117.46 114.17 2bbo n PHE 669 Ca 0.00 -1.56 -0.02 0.00 -0.05 0.00 0.00 57.45 55.83 2bbo n PHE 669 Cb 0.46 -2.45 -0.00 0.00 -0.94 0.00 0.00 39.48 36.55 2bbo n PHE 669 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2bbo s SER 670 N 6.15 -0.09 0.00 4.37 1.04 -1.26 -5.03 113.70 118.88 2bbo s SER 670 Ca 0.66 -0.40 0.28 0.00 0.48 0.00 0.00 55.95 56.97 2bbo s SER 670 Cb 0.02 0.39 1.60 0.00 0.10 0.00 0.00 66.02 68.13 2bbo s SER 670 CO 0.13 -0.74 2.00 0.18 0.98 0.00 0.00 173.24 175.80 2bbo n LEU 671 N -0.57 0.00 0.00 2.42 4.77 -1.26 -4.58 117.00 117.79 2bbo n LEU 671 Ca -0.05 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2bbo n LEU 671 Cb 0.61 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2bbo n LEU 671 CO 0.15 -0.01 0.00 -0.62 -1.33 0.00 0.00 177.39 175.58 2bbo n GLU 672 N -1.09 0.00 -0.06 3.23 4.71 -1.26 -5.15 120.64 121.02 2bbo n GLU 672 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.34 2bbo n GLU 672 Cb 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.57 2bbo n GLU 672 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2bbo n GLY 673 N 4.99 0.29 2.24 0.62 0.00 -1.26 -4.98 105.19 107.09 2bbo n GLY 673 Ca 0.00 -0.88 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 2bbo n GLY 673 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bbo n ASP 674 N 0.00 -1.60 0.19 1.61 10.43 -1.26 -5.01 116.55 120.90 2bbo n ASP 674 Ca 0.00 -0.94 -0.08 0.00 2.57 0.00 0.00 54.79 56.34 2bbo n ASP 674 Cb 0.00 -0.64 -0.04 0.00 1.84 0.00 0.00 41.12 42.28 2bbo n ASP 674 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2bbo h ALA 675 N -2.44 -0.82 0.00 2.24 0.00 -2.04 -3.51 119.26 112.69 2bbo h ALA 675 Ca -0.26 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2bbo h ALA 675 Cb 0.80 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2bbo h ALA 675 CO 0.17 -0.79 0.00 -0.35 0.00 0.00 0.00 179.25 178.29