#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b8e h ALA 411 N 0.00 0.29 0.00 -1.67 0.00 -1.95 -1.16 119.26 114.76 2b8e h ALA 411 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2b8e h ALA 411 Cb 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2b8e h ALA 411 CO 0.00 -0.39 -0.18 -0.07 0.00 0.00 0.00 179.25 178.61 2b8e h LEU 412 N 0.11 0.00 -0.13 0.00 3.38 -1.99 -0.32 115.31 116.36 2b8e h LEU 412 Ca 0.15 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 2b8e h LEU 412 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2b8e h LEU 412 CO -0.24 0.18 -0.18 -0.08 0.09 0.00 0.00 178.44 178.21 2b8e h GLU 413 N 0.00 0.36 -0.39 1.13 4.81 -1.77 -2.94 114.58 115.78 2b8e h GLU 413 Ca -0.00 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 58.96 2b8e h GLU 413 Cb 0.65 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 2b8e h GLU 413 CO 0.02 0.78 -0.03 0.28 -0.73 0.00 0.00 179.01 179.33 2b8e h VAL 414 N -0.04 1.22 -0.94 0.32 2.07 -0.88 -2.88 116.25 115.12 2b8e h VAL 414 Ca 0.02 -0.93 0.14 0.00 0.82 0.00 0.00 66.70 66.75 2b8e h VAL 414 Cb 0.73 0.96 -0.08 0.00 -1.52 0.00 0.00 31.29 31.39 2b8e h VAL 414 CO 0.04 0.32 0.60 0.00 0.02 0.00 0.00 177.57 178.55 2b8e h ALA 415 N 1.38 1.71 0.00 1.67 0.00 -0.88 -0.94 119.26 122.20 2b8e h ALA 415 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2b8e h ALA 415 Cb 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2b8e h ALA 415 CO 0.02 0.03 -0.02 -0.85 0.00 0.00 0.00 179.25 178.43 2b8e n GLU 416 N -4.60 0.14 -0.11 0.00 -0.00 -1.09 -3.00 120.64 111.97 2b8e n GLU 416 Ca 0.19 0.11 0.12 0.00 -0.00 0.00 0.00 57.16 57.57 2b8e n GLU 416 Cb 0.44 -1.65 0.19 0.00 -0.00 0.00 0.00 31.44 30.42 2b8e n GLU 416 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2b8e n LYS 417 N -1.89 2.39 -2.20 3.44 5.02 -0.40 -4.89 118.16 119.63 2b8e n LYS 417 Ca 0.06 -2.07 -0.41 0.00 -2.02 0.00 0.00 58.31 53.87 2b8e n LYS 417 Cb 0.39 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 2b8e n LYS 417 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2b8e s VAL 418 N -1.71 2.93 0.00 -0.18 1.01 -0.95 -4.70 120.40 116.80 2b8e s VAL 418 Ca 0.35 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.24 2b8e s VAL 418 Cb 0.22 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2b8e s VAL 418 CO 0.31 0.21 0.00 0.35 0.00 0.00 0.00 175.10 175.97 2b8e n THR 419 N 1.10 0.00 -3.83 3.92 -2.24 -0.80 -4.94 114.28 107.49 2b8e n THR 419 Ca 0.01 -0.01 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 2b8e n THR 419 Cb 0.42 0.50 -0.16 0.00 -2.10 0.00 0.00 70.33 69.00 2b8e n THR 419 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b8e s ALA 420 N -1.95 0.12 -0.19 6.98 0.00 -1.10 -0.12 121.76 125.50 2b8e s ALA 420 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 51.96 52.15 2b8e s ALA 420 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.92 2b8e s ALA 420 CO 0.00 -0.07 -0.12 0.08 0.00 0.00 0.00 175.76 175.65 2b8e s VAL 421 N 0.81 2.77 -0.17 0.00 1.01 0.13 -1.06 120.40 123.90 2b8e s VAL 421 Ca -0.07 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 2b8e s VAL 421 Cb -0.10 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 2b8e s VAL 421 CO -0.02 0.48 -0.05 -0.63 0.00 0.00 0.00 175.10 174.88 2b8e s ILE 422 N 1.29 3.62 -0.14 2.22 -1.09 0.63 0.67 121.20 128.40 2b8e s ILE 422 Ca 0.04 -0.44 -0.07 0.00 -2.23 0.00 0.00 60.65 57.95 2b8e s ILE 422 Cb -0.14 -2.60 -0.04 0.00 -1.58 0.00 0.00 42.46 38.10 2b8e s ILE 422 CO -0.06 0.47 0.10 -0.36 -1.23 0.00 0.00 174.94 173.85 2b8e s PHE 423 N 0.75 3.42 -0.12 3.97 0.08 0.07 0.32 117.98 126.46 2b8e s PHE 423 Ca -0.02 0.34 -0.27 0.00 0.12 0.00 0.00 56.93 57.10 2b8e s PHE 423 Cb -0.15 -1.98 -0.02 0.00 -0.57 0.00 0.00 43.02 40.31 2b8e s PHE 423 CO 0.02 0.49 0.91 0.34 -0.10 0.00 0.00 175.22 176.88 2b8e s ASP 424 N -0.48 7.11 0.00 1.36 3.68 0.38 -1.56 116.67 127.16 2b8e s ASP 424 Ca 0.11 1.37 -0.01 0.00 2.13 0.00 0.00 52.55 56.14 2b8e s ASP 424 Cb -0.12 -2.50 -0.01 0.00 -1.45 0.00 0.00 42.92 38.84 2b8e s ASP 424 CO 0.02 -0.39 1.02 0.50 0.13 0.00 0.00 175.17 176.44 2b8e h LYS 425 N 7.15 -0.04 -6.18 4.34 3.64 -1.72 -3.24 116.57 120.53 2b8e h LYS 425 Ca -0.31 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.47 2b8e h LYS 425 Cb 1.15 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2b8e h LYS 425 CO 0.84 -0.03 1.29 2.41 -2.27 0.00 0.00 179.45 181.69 2b8e n THR 426 N -2.18 0.52 0.00 1.00 -1.04 -1.26 -1.42 114.28 109.90 2b8e n THR 426 Ca -0.00 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 2b8e n THR 426 Cb 0.02 -2.16 0.00 0.00 -1.82 0.00 0.00 70.33 66.36 2b8e n THR 426 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2b8e n GLY 427 N 5.11 2.91 0.12 3.41 0.00 -1.25 -4.79 105.19 110.71 2b8e n GLY 427 Ca 0.26 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 2b8e n GLY 427 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2b8e n THR 428 N 0.00 1.62 0.62 2.61 -2.24 -1.12 -4.36 114.28 111.40 2b8e n THR 428 Ca 0.00 -0.68 0.11 0.00 -2.27 0.00 0.00 64.05 61.21 2b8e n THR 428 Cb 0.00 -1.35 0.01 0.00 -2.10 0.00 0.00 70.33 66.89 2b8e n THR 428 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2b8e n LEU 429 N -3.24 0.62 -4.38 3.22 4.77 -0.51 -4.90 117.00 112.59 2b8e n LEU 429 Ca -0.34 -0.08 -0.23 0.00 -0.03 0.00 0.00 56.01 55.34 2b8e n LEU 429 Cb 1.05 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.94 2b8e n LEU 429 CO 0.38 0.07 -0.49 0.42 -1.33 0.00 0.00 177.39 176.45 2b8e s THR 430 N -3.18 2.03 0.54 -5.08 -4.23 -1.12 -1.13 115.64 103.48 2b8e s THR 430 Ca 0.04 -2.06 0.21 0.00 -1.18 0.00 0.00 61.69 58.71 2b8e s THR 430 Cb 0.15 -2.00 0.32 0.00 1.34 0.00 0.00 72.50 72.31 2b8e s THR 430 CO 0.81 -0.32 2.12 0.11 -0.54 0.00 0.00 174.62 176.80 2b8e h LYS 431 N 3.00 0.00 0.00 3.99 1.57 -1.27 -3.31 116.57 120.54 2b8e h LYS 431 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2b8e h LYS 431 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2b8e h LYS 431 CO 0.53 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.82 2b8e n GLY 432 N -1.53 0.38 3.30 3.86 0.00 -1.26 -4.88 105.19 105.07 2b8e n GLY 432 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 2b8e n GLY 432 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b8e s LYS 433 N -0.75 3.40 0.44 1.61 -2.85 -1.26 -4.94 119.74 115.39 2b8e s LYS 433 Ca 0.00 -2.35 -0.25 0.00 -1.00 0.00 0.00 55.97 52.38 2b8e s LYS 433 Cb 0.00 -4.34 -0.08 0.00 -2.06 0.00 0.00 37.83 31.36 2b8e s LYS 433 CO 0.00 -1.28 1.27 -1.25 0.10 0.00 0.00 175.35 174.19 2b8e s PRO 434 N 0.37 3.80 0.01 1.78 0.04 -1.26 -4.47 135.00 135.27 2b8e s PRO 434 Ca 0.15 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.23 2b8e s PRO 434 Cb -0.14 -2.60 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 2b8e s PRO 434 CO -0.07 -0.60 0.02 -1.21 0.04 0.00 0.00 177.00 175.19 2b8e s GLU 435 N -2.45 0.36 -0.31 4.56 2.02 0.21 -4.79 118.70 118.30 2b8e s GLU 435 Ca 0.61 -0.54 -0.29 0.00 0.02 0.00 0.00 54.97 54.77 2b8e s GLU 435 Cb -0.36 0.14 -0.01 0.00 0.10 0.00 0.00 34.13 34.01 2b8e s GLU 435 CO 0.45 -0.07 1.46 0.08 0.02 0.00 0.00 175.26 177.20 2b8e s VAL 436 N -1.43 3.90 -0.06 2.63 1.01 -1.26 0.14 120.40 125.33 2b8e s VAL 436 Ca -0.15 0.98 0.14 0.00 0.00 0.00 0.00 61.98 62.95 2b8e s VAL 436 Cb -0.09 -4.00 -0.22 0.00 0.00 0.00 0.00 36.38 32.07 2b8e s VAL 436 CO -0.00 -0.50 0.24 0.35 0.00 0.00 0.00 175.10 175.19 2b8e n THR 437 N 6.60 0.31 -3.74 3.92 -2.24 0.60 -4.92 114.28 114.80 2b8e n THR 437 Ca 0.17 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.39 2b8e n THR 437 Cb 0.47 -0.10 -0.14 0.00 -2.10 0.00 0.00 70.33 68.46 2b8e n THR 437 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2b8e s ASP 438 N -4.07 -0.15 -0.37 3.42 1.11 -1.09 -4.98 116.67 110.53 2b8e s ASP 438 Ca -0.06 0.36 0.04 0.00 0.18 0.00 0.00 52.55 53.07 2b8e s ASP 438 Cb 0.08 0.25 0.11 0.00 1.07 0.00 0.00 42.92 44.42 2b8e s ASP 438 CO 0.62 -0.15 0.09 -0.76 1.18 0.00 0.00 175.17 176.15 2b8e s LEU 439 N 1.18 4.57 -0.82 1.23 1.43 -1.26 -0.39 118.68 124.61 2b8e s LEU 439 Ca -0.09 -2.31 -0.02 0.00 -1.03 0.00 0.00 54.13 50.68 2b8e s LEU 439 Cb -0.11 -1.60 0.21 0.00 0.03 0.00 0.00 46.19 44.72 2b8e s LEU 439 CO -0.07 -0.35 0.69 0.54 0.23 0.00 0.00 176.35 177.40 2b8e s VAL 440 N 0.69 4.25 0.18 -1.59 0.11 0.32 -4.91 120.40 119.45 2b8e s VAL 440 Ca 0.12 -3.59 -0.30 0.00 -2.93 0.00 0.00 61.98 55.28 2b8e s VAL 440 Cb -0.20 -3.66 -0.08 0.00 -1.53 0.00 0.00 36.38 30.91 2b8e s VAL 440 CO -0.07 -1.03 1.13 -2.16 -3.33 0.00 0.00 175.10 169.63 2b8e s PRO 441 N -0.98 4.57 0.03 1.54 0.04 -1.26 -1.49 135.00 137.44 2b8e s PRO 441 Ca 0.24 1.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.88 2b8e s PRO 441 Cb -0.11 -3.27 -0.32 0.00 0.04 0.00 0.00 34.50 30.85 2b8e s PRO 441 CO -0.10 0.03 1.03 -0.07 0.04 0.00 0.00 177.00 177.94 2b8e h LEU 442 N 5.14 0.80 -1.48 -3.56 3.38 -1.42 -3.18 115.31 114.98 2b8e h LEU 442 Ca -0.44 -0.87 -0.04 0.00 0.09 0.00 0.00 57.88 56.61 2b8e h LEU 442 Cb 1.21 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2b8e h LEU 442 CO 0.73 1.60 -0.12 -1.13 0.09 0.00 0.00 178.44 179.61 2b8e h ASN 443 N 0.12 0.17 0.00 -0.43 -0.73 -1.88 -3.47 115.58 109.36 2b8e h ASN 443 Ca -0.20 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 57.94 2b8e h ASN 443 Cb 1.94 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 40.49 2b8e h ASN 443 CO 0.24 0.32 0.00 0.61 -0.37 0.00 0.00 177.43 178.22 2b8e n GLY 444 N -0.96 1.36 3.54 1.57 0.00 -1.20 -5.10 105.19 104.40 2b8e n GLY 444 Ca -0.01 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 2b8e n GLY 444 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b8e s ASP 445 N -0.53 6.38 0.02 1.61 3.68 -1.26 -4.83 116.67 121.74 2b8e s ASP 445 Ca 0.00 -0.15 -0.28 0.00 2.13 0.00 0.00 52.55 54.25 2b8e s ASP 445 Cb 0.00 -2.34 -0.16 0.00 -1.45 0.00 0.00 42.92 38.97 2b8e s ASP 445 CO 0.00 -0.78 1.18 -0.33 0.13 0.00 0.00 175.17 175.37 2b8e h GLU 446 N 8.81 -0.98 -0.78 4.34 5.08 -1.93 -2.63 114.58 126.49 2b8e h GLU 446 Ca -0.25 0.07 0.17 0.00 -1.00 0.00 0.00 59.36 58.35 2b8e h GLU 446 Cb 1.10 0.22 -0.14 0.00 0.50 0.00 0.00 28.75 30.43 2b8e h GLU 446 CO 0.90 -0.65 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.12 2b8e h ARG 447 N -1.25 0.06 -0.76 2.33 2.43 -1.98 0.20 114.38 115.42 2b8e h ARG 447 Ca -0.10 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.07 2b8e h ARG 447 Cb 0.78 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.28 2b8e h ARG 447 CO 0.17 0.04 0.50 1.49 -1.51 0.00 0.00 179.97 180.66 2b8e h GLU 448 N 0.07 1.00 -0.57 0.20 4.57 -1.99 0.28 114.58 118.13 2b8e h GLU 448 Ca 0.42 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.51 2b8e h GLU 448 Cb 0.72 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 2b8e h GLU 448 CO -0.72 0.66 0.28 1.25 -1.18 0.00 0.00 179.01 179.30 2b8e h LEU 449 N 1.03 0.75 -0.45 1.64 5.85 -0.45 -1.36 115.31 122.31 2b8e h LEU 449 Ca 0.28 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2b8e h LEU 449 Cb -0.12 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 2b8e h LEU 449 CO -0.06 0.66 0.22 0.25 -0.34 0.00 0.00 178.44 179.17 2b8e h LEU 450 N 0.77 0.58 -0.29 2.25 5.85 0.16 -1.80 115.31 122.83 2b8e h LEU 450 Ca 0.20 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2b8e h LEU 450 Cb 0.11 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2b8e h LEU 450 CO -0.03 0.54 0.19 -0.09 -0.34 0.00 0.00 178.44 178.72 2b8e h ARG 451 N 0.58 0.38 -0.22 1.25 2.43 -0.14 0.14 114.38 118.80 2b8e h ARG 451 Ca 0.15 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 2b8e h ARG 451 Cb 0.11 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 2b8e h ARG 451 CO -0.02 0.25 0.05 -0.07 -1.51 0.00 0.00 179.97 178.68 2b8e h LEU 452 N 0.39 0.03 -0.46 3.80 3.38 -1.09 -0.52 115.31 120.84 2b8e h LEU 452 Ca 0.11 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 2b8e h LEU 452 Cb -0.04 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2b8e h LEU 452 CO -0.02 0.05 -0.01 0.00 0.09 0.00 0.00 178.44 178.55 2b8e h ALA 453 N 1.16 0.62 -0.41 1.53 0.00 -1.11 -2.04 119.26 119.01 2b8e h ALA 453 Ca 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2b8e h ALA 453 Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2b8e h ALA 453 CO -0.13 0.43 0.13 0.00 0.00 0.00 0.00 179.25 179.68 2b8e h ALA 454 N 0.91 0.54 -0.23 0.00 0.00 -0.53 0.40 119.26 120.37 2b8e h ALA 454 Ca 0.13 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2b8e h ALA 454 Cb 0.51 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2b8e h ALA 454 CO 0.02 0.19 0.06 0.82 0.00 0.00 0.00 179.25 180.35 2b8e h ILE 455 N 0.53 0.91 -0.00 0.00 2.04 -1.04 0.29 117.51 120.25 2b8e h ILE 455 Ca 0.13 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 2b8e h ILE 455 Cb 0.27 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2b8e h ILE 455 CO -0.00 0.03 -0.21 0.00 0.00 0.00 0.00 178.15 177.96 2b8e h ALA 456 N 1.16 1.64 -0.02 1.87 0.00 -1.05 -2.20 119.26 120.66 2b8e h ALA 456 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2b8e h ALA 456 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2b8e h ALA 456 CO -0.12 0.27 -0.06 0.39 0.00 0.00 0.00 179.25 179.73 2b8e n GLU 457 N -4.28 1.75 -0.30 0.00 -0.58 0.10 -4.55 120.64 112.78 2b8e n GLU 457 Ca -0.02 -1.21 0.13 0.00 -0.42 0.00 0.00 57.16 55.63 2b8e n GLU 457 Cb 0.27 -1.47 0.28 0.00 -0.57 0.00 0.00 31.44 29.94 2b8e n GLU 457 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2b8e h ARG 458 N 2.96 0.12 -0.71 3.49 1.12 0.22 -2.20 114.38 119.38 2b8e h ARG 458 Ca 0.00 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 2b8e h ARG 458 Cb 0.67 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.61 2b8e h ARG 458 CO 0.00 0.08 0.00 0.54 -3.11 0.00 0.00 179.97 177.48 2b8e n ARG 459 N -5.33 2.71 -3.35 0.20 5.12 -1.26 -4.93 116.66 109.82 2b8e n ARG 459 Ca 0.21 -2.65 -0.39 0.00 -1.93 0.00 0.00 57.85 53.10 2b8e n ARG 459 Cb 0.69 -1.57 -0.08 0.00 -1.16 0.00 0.00 32.46 30.34 2b8e n ARG 459 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2b8e s SER 460 N -1.05 6.40 0.00 0.55 0.01 -0.83 -4.95 113.70 113.83 2b8e s SER 460 Ca 0.49 0.47 0.22 0.00 1.31 0.00 0.00 55.95 58.44 2b8e s SER 460 Cb 0.26 -2.24 1.34 0.00 0.21 0.00 0.00 66.02 65.58 2b8e s SER 460 CO 0.34 -0.15 1.78 1.21 0.41 0.00 0.00 173.24 176.83 2b8e n GLU 461 N 4.91 0.87 -2.79 12.44 4.07 -1.26 -4.30 120.64 134.58 2b8e n GLU 461 Ca -0.07 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.69 2b8e n GLU 461 Cb 0.51 -1.40 -0.07 0.00 -0.06 0.00 0.00 31.44 30.42 2b8e n GLU 461 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 2b8e s HIS 462 N -2.00 3.32 0.02 4.31 3.76 -1.26 -4.89 115.29 118.55 2b8e s HIS 462 Ca 0.34 1.63 -0.06 0.00 -0.15 0.00 0.00 55.06 56.81 2b8e s HIS 462 Cb 0.15 -2.88 -0.02 0.00 1.11 0.00 0.00 32.58 30.94 2b8e s HIS 462 CO 0.26 -0.15 1.10 -1.00 -0.85 0.00 0.00 174.74 174.10 2b8e h PRO 463 N 2.02 -0.09 -0.89 8.40 0.13 -1.97 0.04 132.00 139.64 2b8e h PRO 463 Ca -0.49 0.01 0.22 0.00 -0.87 0.00 0.00 66.00 64.87 2b8e h PRO 463 Cb 1.19 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 2b8e h PRO 463 CO 0.61 -0.06 0.36 -0.84 -0.23 0.00 0.00 178.00 177.84 2b8e h ILE 464 N -0.10 0.45 -0.01 -3.56 3.07 -1.95 2.19 117.51 117.60 2b8e h ILE 464 Ca 0.01 -0.12 -0.00 0.00 1.55 0.00 0.00 64.86 66.29 2b8e h ILE 464 Cb 0.12 0.05 -0.00 0.00 -0.27 0.00 0.00 36.82 36.72 2b8e h ILE 464 CO -0.09 0.07 0.01 0.00 -1.05 0.00 0.00 178.15 177.09 2b8e h ALA 465 N 1.72 0.02 -0.23 0.16 0.00 -1.81 -0.02 119.26 119.08 2b8e h ALA 465 Ca 0.55 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.32 2b8e h ALA 465 Cb 1.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2b8e h ALA 465 CO -0.55 -0.42 -0.20 0.93 0.00 0.00 0.00 179.25 179.01 2b8e h GLU 466 N -0.11 0.42 -0.92 0.00 5.08 0.12 0.15 114.58 119.32 2b8e h GLU 466 Ca 0.00 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2b8e h GLU 466 Cb 0.13 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 2b8e h GLU 466 CO -0.00 0.61 0.61 0.00 -1.00 0.00 0.00 179.01 179.22 2b8e h ALA 467 N 1.41 1.17 0.02 3.43 0.00 0.39 0.32 119.26 125.99 2b8e h ALA 467 Ca 0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2b8e h ALA 467 Cb 0.57 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2b8e h ALA 467 CO 0.04 0.55 -0.01 0.82 0.00 0.00 0.00 179.25 180.65 2b8e h ILE 468 N 1.24 1.39 -0.86 0.00 2.04 -0.07 -2.22 117.51 119.03 2b8e h ILE 468 Ca 0.34 -1.26 0.09 0.00 1.00 0.00 0.00 64.86 65.03 2b8e h ILE 468 Cb -0.13 2.23 -0.07 0.00 -0.74 0.00 0.00 36.82 38.11 2b8e h ILE 468 CO -0.08 0.32 0.51 0.58 0.00 0.00 0.00 178.15 179.48 2b8e h VAL 469 N -0.57 0.93 -0.62 1.67 2.07 -0.49 -1.18 116.25 118.07 2b8e h VAL 469 Ca -0.00 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.26 2b8e h VAL 469 Cb 0.54 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 2b8e h VAL 469 CO 0.00 0.16 0.36 0.11 0.02 0.00 0.00 177.57 178.22 2b8e h LYS 470 N 0.85 0.68 0.16 1.57 6.56 -0.31 -0.66 116.57 125.43 2b8e h LYS 470 Ca 0.41 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.95 2b8e h LYS 470 Cb 0.34 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 31.85 2b8e h LYS 470 CO -0.24 0.45 -0.08 -0.22 -2.06 0.00 0.00 179.45 177.31 2b8e h LYS 471 N 0.70 -0.21 -0.51 3.15 1.63 -0.60 -1.20 116.57 119.53 2b8e h LYS 471 Ca 0.26 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 60.15 2b8e h LYS 471 Cb 0.08 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.70 2b8e h LYS 471 CO -0.13 -0.12 0.16 0.00 -3.45 0.00 0.00 179.45 175.91 2b8e h ALA 472 N 0.60 0.61 -0.05 5.00 0.00 -0.94 -1.01 119.26 123.47 2b8e h ALA 472 Ca -0.02 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2b8e h ALA 472 Cb 0.18 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2b8e h ALA 472 CO 0.04 -0.24 -0.14 -0.07 0.00 0.00 0.00 179.25 178.84 2b8e h LEU 473 N 0.33 0.07 0.12 0.00 -0.00 -0.91 -0.87 115.31 114.04 2b8e h LEU 473 Ca 0.25 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 58.11 2b8e h LEU 473 Cb 0.29 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 2b8e h LEU 473 CO -0.27 0.21 -0.06 -0.33 -0.00 0.00 0.00 178.44 178.00 2b8e h GLU 474 N 0.07 -0.15 -0.98 1.13 5.08 0.06 -1.92 114.58 117.87 2b8e h GLU 474 Ca 0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2b8e h GLU 474 Cb 0.29 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2b8e h GLU 474 CO 0.02 0.10 0.00 0.72 -1.00 0.00 0.00 179.01 178.85 2b8e n HIS 475 N -5.05 0.00 -4.16 4.33 8.25 -0.89 -4.79 115.22 112.90 2b8e n HIS 475 Ca -0.08 -0.16 -0.42 0.00 -0.26 0.00 0.00 57.72 56.79 2b8e n HIS 475 Cb 0.18 -0.13 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 2b8e n HIS 475 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2b8e n GLY 476 N 0.37 -0.60 3.72 -1.41 0.00 -0.72 -4.91 105.19 101.65 2b8e n GLY 476 Ca 0.00 0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 2b8e n GLY 476 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b8e s ILE 477 N -3.81 5.26 -0.71 -0.61 1.01 -0.36 -5.00 121.20 116.96 2b8e s ILE 477 Ca 0.33 0.70 -0.26 0.00 0.00 0.00 0.00 60.65 61.42 2b8e s ILE 477 Cb -0.18 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 2b8e s ILE 477 CO 0.98 0.35 1.86 -1.83 0.00 0.00 0.00 174.94 176.31 2b8e s GLU 478 N 0.62 2.64 -0.17 2.79 4.04 -1.26 -4.65 118.70 122.71 2b8e s GLU 478 Ca 0.20 0.27 -0.16 0.00 0.04 0.00 0.00 54.97 55.32 2b8e s GLU 478 Cb -0.14 -4.61 -0.04 0.00 0.02 0.00 0.00 34.13 29.36 2b8e s GLU 478 CO 0.06 -2.91 0.40 -0.51 -1.84 0.00 0.00 175.26 170.47 2b8e s LEU 479 N 9.23 4.21 0.42 1.83 1.43 -1.26 -5.08 118.68 129.46 2b8e s LEU 479 Ca 0.67 0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 54.37 2b8e s LEU 479 Cb -0.10 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 2b8e s LEU 479 CO 0.13 -0.02 0.65 -0.83 0.23 0.00 0.00 176.35 176.51 2b8e s GLY 480 N 0.80 1.48 -0.20 -3.19 0.00 -1.26 -5.04 107.32 99.90 2b8e s GLY 480 Ca 0.21 -0.92 -0.13 0.00 0.00 0.00 0.00 44.72 43.88 2b8e s GLY 480 CO 0.08 -0.78 0.27 -0.54 0.00 0.00 0.00 173.10 172.13 2b8e s GLU 481 N -4.51 4.17 1.16 2.90 0.41 -1.26 -4.59 118.70 116.97 2b8e s GLU 481 Ca 0.45 -0.01 -0.19 0.00 -0.41 0.00 0.00 54.97 54.81 2b8e s GLU 481 Cb -0.10 -3.50 0.30 0.00 -1.78 0.00 0.00 34.13 29.05 2b8e s GLU 481 CO 0.38 0.09 0.77 -2.30 -0.49 0.00 0.00 175.26 173.71 2b8e n PRO 482 N 4.10 -3.95 0.03 0.39 -0.02 -1.26 -5.02 135.00 129.27 2b8e n PRO 482 Ca -0.12 -1.27 -0.01 0.00 -2.02 0.00 0.00 63.50 60.08 2b8e n PRO 482 Cb 0.52 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.49 2b8e n PRO 482 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2b8e n GLU 483 N -4.90 0.07 -3.52 -0.52 2.13 -1.26 -4.99 120.64 107.64 2b8e n GLU 483 Ca 0.12 0.03 -0.39 0.00 0.66 0.00 0.00 57.16 57.57 2b8e n GLU 483 Cb 0.49 -0.62 -0.10 0.00 0.27 0.00 0.00 31.44 31.48 2b8e n GLU 483 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2b8e s LYS 484 N -2.11 3.76 -0.10 5.31 1.02 -1.26 -5.04 119.74 121.31 2b8e s LYS 484 Ca -0.04 -0.40 -0.00 0.00 0.02 0.00 0.00 55.97 55.55 2b8e s LYS 484 Cb 0.01 -3.73 0.02 0.00 -0.52 0.00 0.00 37.83 33.61 2b8e s LYS 484 CO 0.05 -0.32 -0.07 0.08 -0.92 0.00 0.00 175.35 174.17 2b8e s VAL 485 N 1.82 0.93 -0.27 3.17 1.01 -1.26 -1.48 120.40 124.31 2b8e s VAL 485 Ca 0.08 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.83 2b8e s VAL 485 Cb -0.17 -0.96 0.05 0.00 0.00 0.00 0.00 36.38 35.31 2b8e s VAL 485 CO 0.11 0.35 -0.06 -0.70 0.00 0.00 0.00 175.10 174.79 2b8e s GLU 486 N 1.67 2.39 -0.15 2.72 2.12 -0.31 -5.00 118.70 122.15 2b8e s GLU 486 Ca 0.04 -1.27 -0.15 0.00 0.36 0.00 0.00 54.97 53.96 2b8e s GLU 486 Cb -0.13 -3.01 -0.05 0.00 0.26 0.00 0.00 34.13 31.21 2b8e s GLU 486 CO -0.07 -0.56 0.32 0.08 -0.54 0.00 0.00 175.26 174.49 2b8e s VAL 487 N 1.19 5.29 -0.30 3.70 1.01 -1.26 -1.90 120.40 128.13 2b8e s VAL 487 Ca -0.06 0.61 0.02 0.00 0.00 0.00 0.00 61.98 62.55 2b8e s VAL 487 Cb -0.19 -3.66 0.09 0.00 0.00 0.00 0.00 36.38 32.61 2b8e s VAL 487 CO -0.04 0.38 0.02 -0.63 0.00 0.00 0.00 175.10 174.83 2b8e s ILE 488 N 0.50 1.85 0.23 2.22 1.01 -0.74 -5.03 121.20 121.24 2b8e s ILE 488 Ca 0.18 -1.85 -0.31 0.00 0.00 0.00 0.00 60.65 58.67 2b8e s ILE 488 Cb -0.13 -2.26 -0.14 0.00 0.01 0.00 0.00 42.46 39.93 2b8e s ILE 488 CO 0.05 -0.44 1.24 0.00 0.00 0.00 0.00 174.94 175.79 2b8e n ALA 489 N 4.47 0.23 -1.05 9.38 0.00 -1.26 -1.43 120.51 130.86 2b8e n ALA 489 Ca -0.03 0.42 -0.02 0.00 0.00 0.00 0.00 53.44 53.82 2b8e n ALA 489 Cb 0.42 -2.14 -0.01 0.00 0.00 0.00 0.00 19.45 17.73 2b8e n ALA 489 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b8e n GLY 490 N 1.82 0.53 2.05 0.00 0.00 -1.26 -4.80 105.19 103.53 2b8e n GLY 490 Ca 0.12 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2b8e n GLY 490 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2b8e n GLU 491 N -2.79 0.00 0.00 1.61 1.02 -0.51 -4.86 120.64 115.11 2b8e n GLU 491 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2b8e n GLU 491 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.49 2b8e n GLU 491 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2b8e n GLY 492 N 0.38 -0.42 3.22 0.62 0.00 -0.63 -0.77 105.19 107.59 2b8e n GLY 492 Ca 0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 2b8e n GLY 492 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b8e s VAL 493 N -1.09 0.06 -0.26 1.61 0.11 0.13 -1.79 120.40 119.17 2b8e s VAL 493 Ca 0.00 -0.51 -0.00 0.00 -2.93 0.00 0.00 61.98 58.54 2b8e s VAL 493 Cb 0.00 -0.59 0.08 0.00 -1.53 0.00 0.00 36.38 34.34 2b8e s VAL 493 CO 0.00 -0.28 0.02 -0.69 -3.33 0.00 0.00 175.10 170.82 2b8e s VAL 494 N -1.35 1.20 -0.35 2.04 1.01 -0.80 -0.84 120.40 121.32 2b8e s VAL 494 Ca -0.14 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 60.62 2b8e s VAL 494 Cb -0.06 -1.68 0.10 0.00 0.00 0.00 0.00 36.38 34.74 2b8e s VAL 494 CO 0.04 -0.34 0.08 0.00 0.00 0.00 0.00 175.10 174.88 2b8e s ALA 495 N 1.51 2.94 -1.05 5.51 0.00 0.97 -1.16 121.76 130.49 2b8e s ALA 495 Ca 0.01 -2.48 -0.02 0.00 0.00 0.00 0.00 51.96 49.47 2b8e s ALA 495 Cb -0.18 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 20.88 2b8e s ALA 495 CO -0.12 -1.68 0.89 -0.25 0.00 0.00 0.00 175.76 174.60 2b8e n ASP 496 N 4.35 -3.03 0.00 0.00 8.00 -0.55 -1.68 116.55 123.65 2b8e n ASP 496 Ca 0.01 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 55.01 2b8e n ASP 496 Cb 0.42 -4.39 0.00 0.00 -0.02 0.00 0.00 41.12 37.13 2b8e n ASP 496 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b8e n GLY 497 N -1.29 3.09 3.68 0.44 0.00 -1.26 -4.99 105.19 104.87 2b8e n GLY 497 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2b8e n GLY 497 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b8e s ILE 498 N -1.40 4.86 -0.01 -0.61 1.09 -0.68 -4.08 121.20 120.38 2b8e s ILE 498 Ca 0.00 1.77 0.00 0.00 -1.10 0.00 0.00 60.65 61.32 2b8e s ILE 498 Cb 0.00 -4.19 -0.04 0.00 -1.06 0.00 0.00 42.46 37.17 2b8e s ILE 498 CO 0.00 0.05 0.04 -0.76 -0.10 0.00 0.00 174.94 174.17 2b8e s LEU 499 N 1.92 3.72 -0.27 2.97 1.02 0.11 -0.02 118.68 128.13 2b8e s LEU 499 Ca 0.42 0.08 -0.01 0.00 0.02 0.00 0.00 54.13 54.64 2b8e s LEU 499 Cb -0.17 -2.13 0.14 0.00 0.02 0.00 0.00 46.19 44.04 2b8e s LEU 499 CO 0.15 0.28 0.32 -0.69 0.02 0.00 0.00 176.35 176.44 2b8e s VAL 500 N -1.13 -0.46 0.00 -1.59 1.01 -0.02 -0.84 120.40 117.37 2b8e s VAL 500 Ca 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.84 2b8e s VAL 500 Cb -0.12 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.33 2b8e s VAL 500 CO 0.12 -0.36 0.00 0.61 0.00 0.00 0.00 175.10 175.47 2b8e n GLY 501 N 5.33 1.35 2.51 4.51 0.00 -0.63 0.17 105.19 118.42 2b8e n GLY 501 Ca -0.02 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 2b8e n GLY 501 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2b8e n ASN 502 N 0.00 1.32 -0.12 1.61 0.23 0.05 0.30 115.26 118.65 2b8e n ASN 502 Ca 0.00 -1.97 0.08 0.00 -0.53 0.00 0.00 54.58 52.16 2b8e n ASN 502 Cb 0.00 -0.28 0.41 0.00 -2.08 0.00 0.00 39.78 37.83 2b8e n ASN 502 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2b8e h LYS 503 N 0.00 0.59 -0.70 -3.83 3.64 -1.94 -0.14 116.57 114.20 2b8e h LYS 503 Ca -0.18 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.20 2b8e h LYS 503 Cb 0.80 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.44 2b8e h LYS 503 CO 0.25 0.39 0.43 -0.09 -2.27 0.00 0.00 179.45 178.15 2b8e h ARG 504 N 0.61 0.80 -1.35 1.90 9.65 -1.92 -1.80 114.38 122.27 2b8e h ARG 504 Ca 0.28 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 2b8e h ARG 504 Cb 0.31 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 2b8e h ARG 504 CO -0.09 0.53 0.00 -0.11 2.80 0.00 0.00 179.97 183.10 2b8e n LEU 505 N -4.69 1.99 0.00 3.80 -0.00 -0.06 -2.66 117.00 115.38 2b8e n LEU 505 Ca 0.08 -1.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.09 2b8e n LEU 505 Cb 0.11 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.19 2b8e n LEU 505 CO 0.32 0.33 0.00 -1.84 -0.00 0.00 0.00 177.39 176.20 2b8e n GLU 507 N 0.68 0.00 0.01 1.96 0.00 -0.68 -2.66 120.64 119.95 2b8e n GLU 507 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 57.16 57.39 2b8e n GLU 507 Cb 0.33 0.00 0.67 0.00 0.00 0.00 0.00 31.44 32.44 2b8e n GLU 507 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 2b8e h ASP 508 N 0.00 0.00 -0.04 -1.84 1.82 -1.74 0.22 116.42 114.84 2b8e h ASP 508 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2b8e h ASP 508 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2b8e h ASP 508 CO 0.00 0.00 0.00 0.49 -1.61 0.00 0.00 179.24 178.12 2b8e n PHE 509 N -3.56 0.08 -2.84 0.28 3.72 -1.09 -5.00 117.46 109.05 2b8e n PHE 509 Ca 0.11 -0.69 -0.10 0.00 -0.05 0.00 0.00 57.45 56.73 2b8e n PHE 509 Cb 0.86 -0.10 0.04 0.00 -0.94 0.00 0.00 39.48 39.35 2b8e n PHE 509 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b8e n GLY 510 N -0.74 0.10 3.39 1.37 0.00 0.77 -4.84 105.19 105.24 2b8e n GLY 510 Ca 0.07 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 2b8e n GLY 510 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b8e s VAL 511 N -3.17 4.04 0.02 1.61 1.01 -1.26 -4.52 120.40 118.12 2b8e s VAL 511 Ca 0.11 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 2b8e s VAL 511 Cb -0.05 -2.94 -0.07 0.00 0.00 0.00 0.00 36.38 33.32 2b8e s VAL 511 CO 0.37 0.27 1.52 0.00 0.00 0.00 0.00 175.10 177.25 2b8e s ALA 512 N 1.55 3.63 -0.53 5.51 0.00 -1.24 -4.13 121.76 126.54 2b8e s ALA 512 Ca 0.05 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.90 2b8e s ALA 512 Cb -0.16 -3.65 0.13 0.00 0.00 0.00 0.00 23.12 19.45 2b8e s ALA 512 CO 0.02 -1.03 0.44 0.08 0.00 0.00 0.00 175.76 175.27 2b8e s VAL 513 N 2.65 4.64 0.43 0.00 1.01 -1.26 -4.63 120.40 123.23 2b8e s VAL 513 Ca 0.68 -1.82 -0.24 0.00 0.00 0.00 0.00 61.98 60.61 2b8e s VAL 513 Cb -0.35 -4.00 -0.08 0.00 0.00 0.00 0.00 36.38 31.95 2b8e s VAL 513 CO 0.29 -0.84 1.16 -0.94 0.00 0.00 0.00 175.10 174.77 2b8e s SER 514 N 2.82 6.34 0.62 3.32 1.04 -1.26 -4.77 113.70 121.81 2b8e s SER 514 Ca 0.07 2.30 0.31 0.00 0.48 0.00 0.00 55.95 59.11 2b8e s SER 514 Cb -0.26 -2.61 1.74 0.00 0.10 0.00 0.00 66.02 65.00 2b8e s SER 514 CO -0.00 -0.80 2.06 0.78 0.98 0.00 0.00 173.24 176.26 2b8e h ASN 515 N 2.28 0.00 -0.12 7.02 2.35 -1.97 0.40 115.58 125.54 2b8e h ASN 515 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 2b8e h ASN 515 Cb 1.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.60 2b8e h ASN 515 CO 0.61 0.00 0.08 -0.08 -1.65 0.00 0.00 177.43 176.39 2b8e h GLU 516 N 0.00 0.17 0.09 0.81 4.81 -1.99 0.15 114.58 118.61 2b8e h GLU 516 Ca 0.07 -0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 59.03 2b8e h GLU 516 Cb 0.56 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2b8e h GLU 516 CO -0.00 0.12 -1.20 -0.39 -0.73 0.00 0.00 179.01 176.81 2b8e h VAL 517 N 0.16 1.54 -0.14 0.32 -1.51 -0.79 -3.04 116.25 112.78 2b8e h VAL 517 Ca 0.05 -3.15 -0.06 0.00 -1.23 0.00 0.00 66.70 62.31 2b8e h VAL 517 Cb -0.01 2.90 -0.01 0.00 -2.13 0.00 0.00 31.29 32.04 2b8e h VAL 517 CO -0.01 0.91 -0.18 -0.08 -1.23 0.00 0.00 177.57 176.98 2b8e h GLU 518 N 0.05 0.24 0.09 5.19 4.57 -0.19 -1.48 114.58 123.05 2b8e h GLU 518 Ca -0.11 -0.06 -0.25 0.00 -1.18 0.00 0.00 59.36 57.76 2b8e h GLU 518 Cb 1.92 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 30.48 2b8e h GLU 518 CO 0.18 0.42 -1.15 -0.07 -1.18 0.00 0.00 179.01 177.20 2b8e h LEU 519 N 0.22 0.33 -0.45 1.64 3.38 -0.78 -2.90 115.31 116.75 2b8e h LEU 519 Ca 0.04 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 2b8e h LEU 519 Cb 0.45 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2b8e h LEU 519 CO 0.03 1.25 -0.11 0.00 0.09 0.00 0.00 178.44 179.70 2b8e h ALA 520 N 0.70 0.62 -0.04 1.53 0.00 -1.35 -1.91 119.26 118.80 2b8e h ALA 520 Ca -0.10 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.32 2b8e h ALA 520 Cb 1.88 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 2b8e h ALA 520 CO 0.18 0.51 -0.68 1.37 0.00 0.00 0.00 179.25 180.63 2b8e h LEU 521 N 0.70 0.23 -0.43 0.00 8.10 -1.37 -2.40 115.31 120.13 2b8e h LEU 521 Ca 0.11 -0.15 -0.06 0.00 0.11 0.00 0.00 57.88 57.90 2b8e h LEU 521 Cb 0.65 -0.07 -0.02 0.00 -0.44 0.00 0.00 40.66 40.79 2b8e h LEU 521 CO 0.04 0.84 0.03 -0.33 -4.11 0.00 0.00 178.44 174.91 2b8e h GLU 522 N 0.13 0.74 -0.83 0.17 5.08 -1.43 0.22 114.58 118.66 2b8e h GLU 522 Ca -0.02 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2b8e h GLU 522 Cb 1.22 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 2b8e h GLU 522 CO 0.10 0.80 0.54 -0.22 -1.00 0.00 0.00 179.01 179.23 2b8e h LYS 523 N 0.59 1.05 -0.22 2.33 3.64 -1.24 -0.07 116.57 122.65 2b8e h LYS 523 Ca 0.13 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2b8e h LYS 523 Cb 0.45 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2b8e h LYS 523 CO 0.02 0.69 0.04 -0.07 -2.27 0.00 0.00 179.45 177.86 2b8e h LEU 524 N 1.08 0.34 -0.98 5.20 4.07 -1.05 -2.98 115.31 121.00 2b8e h LEU 524 Ca 0.32 -0.25 0.01 0.00 0.08 0.00 0.00 57.88 58.04 2b8e h LEU 524 Cb -0.05 -0.09 -0.05 0.00 1.08 0.00 0.00 40.66 41.55 2b8e h LEU 524 CO -0.09 0.51 0.65 -0.33 -1.08 0.00 0.00 178.44 178.09 2b8e h GLU 525 N 0.16 1.29 0.00 1.13 5.08 -0.04 0.01 114.58 122.21 2b8e h GLU 525 Ca 0.07 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2b8e h GLU 525 Cb 0.31 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2b8e h GLU 525 CO 0.00 0.85 0.00 0.54 -1.00 0.00 0.00 179.01 179.41 2b8e n ARG 526 N -4.40 0.05 -0.92 2.33 1.74 -0.09 -1.36 116.66 114.01 2b8e n ARG 526 Ca 0.11 0.30 -0.00 0.00 -0.77 0.00 0.00 57.85 57.49 2b8e n ARG 526 Cb 0.01 -1.50 0.33 0.00 -1.02 0.00 0.00 32.46 30.28 2b8e n ARG 526 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2b8e n GLU 527 N -1.42 4.05 -3.63 5.56 1.02 -0.01 -4.78 120.64 121.44 2b8e n GLU 527 Ca 0.03 -2.91 -0.22 0.00 -0.02 0.00 0.00 57.16 54.04 2b8e n GLU 527 Cb 0.08 -2.19 0.06 0.00 -0.02 0.00 0.00 31.44 29.37 2b8e n GLU 527 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2b8e n ALA 528 N 0.19 -1.82 -2.36 0.62 0.00 -0.47 -4.99 120.51 111.68 2b8e n ALA 528 Ca 0.33 -0.01 -0.18 0.00 0.00 0.00 0.00 53.44 53.58 2b8e n ALA 528 Cb 1.25 -2.92 -0.10 0.00 0.00 0.00 0.00 19.45 17.67 2b8e n ALA 528 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2b8e s LYS 529 N -5.92 1.25 -0.25 0.00 1.02 -1.22 -4.71 119.74 109.91 2b8e s LYS 529 Ca 0.17 -1.51 -0.04 0.00 0.02 0.00 0.00 55.97 54.61 2b8e s LYS 529 Cb -0.08 -1.04 0.00 0.00 -0.52 0.00 0.00 37.83 36.19 2b8e s LYS 529 CO 0.78 0.18 -0.01 -0.08 -0.92 0.00 0.00 175.35 175.29 2b8e s THR 530 N -2.84 3.45 -0.16 2.17 -1.32 0.14 -4.30 115.64 112.78 2b8e s THR 530 Ca 0.19 -0.64 -0.03 0.00 -1.21 0.00 0.00 61.69 60.01 2b8e s THR 530 Cb -0.01 -2.66 -0.02 0.00 -1.51 0.00 0.00 72.50 68.30 2b8e s THR 530 CO 0.05 0.29 -0.06 0.00 -2.21 0.00 0.00 174.62 172.70 2b8e s ALA 531 N 1.46 2.89 0.18 11.08 0.00 -1.26 0.65 121.76 136.75 2b8e s ALA 531 Ca 0.04 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.17 2b8e s ALA 531 Cb -0.15 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 2b8e s ALA 531 CO -0.02 0.14 0.13 0.14 0.00 0.00 0.00 175.76 176.14 2b8e s VAL 532 N 0.51 4.37 -0.12 0.00 -7.23 0.20 -4.85 120.40 113.28 2b8e s VAL 532 Ca -0.05 -1.18 -0.03 0.00 -1.81 0.00 0.00 61.98 58.91 2b8e s VAL 532 Cb -0.15 -3.25 -0.03 0.00 0.56 0.00 0.00 36.38 33.51 2b8e s VAL 532 CO 0.03 -0.15 0.01 -0.63 -0.31 0.00 0.00 175.10 174.05 2b8e s ILE 533 N -1.81 4.35 -0.21 -0.62 1.01 0.15 -1.71 121.20 122.36 2b8e s ILE 533 Ca 0.31 -0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.71 2b8e s ILE 533 Cb -0.10 -2.88 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 2b8e s ILE 533 CO 0.23 0.55 -0.05 -0.69 0.00 0.00 0.00 174.94 174.99 2b8e s VAL 534 N -0.37 3.43 0.17 2.92 1.01 -0.64 -1.60 120.40 125.32 2b8e s VAL 534 Ca 0.07 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2b8e s VAL 534 Cb -0.12 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2b8e s VAL 534 CO 0.02 0.44 0.05 0.00 0.00 0.00 0.00 175.10 175.60 2b8e s ALA 535 N 1.28 1.19 -0.25 5.51 0.00 -0.02 0.13 121.76 129.60 2b8e s ALA 535 Ca 0.03 -1.59 -0.16 0.00 0.00 0.00 0.00 51.96 50.24 2b8e s ALA 535 Cb -0.14 0.82 0.07 0.00 0.00 0.00 0.00 23.12 23.87 2b8e s ALA 535 CO -0.02 -0.43 0.62 0.50 0.00 0.00 0.00 175.76 176.43 2b8e s ARG 536 N -4.01 0.65 -1.06 0.00 3.52 0.41 0.07 118.95 118.54 2b8e s ARG 536 Ca 0.27 1.05 -0.21 0.00 -0.13 0.00 0.00 55.73 56.72 2b8e s ARG 536 Cb 0.07 0.16 0.02 0.00 -1.56 0.00 0.00 34.95 33.65 2b8e s ARG 536 CO 0.05 -0.14 0.67 -1.71 -0.81 0.00 0.00 175.30 173.36 2b8e n ASN 537 N 3.91 -4.59 0.00 -2.12 4.05 -1.26 -0.85 115.26 114.40 2b8e n ASN 537 Ca -0.19 -1.13 0.00 0.00 0.45 0.00 0.00 54.58 53.71 2b8e n ASN 537 Cb 0.57 -1.91 0.00 0.00 1.23 0.00 0.00 39.78 39.68 2b8e n ASN 537 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2b8e n GLY 538 N -1.90 0.24 3.17 8.20 0.00 -1.26 -4.97 105.19 108.67 2b8e n GLY 538 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 2b8e n GLY 538 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2b8e s ARG 539 N -0.89 2.18 0.19 1.61 1.70 -0.03 -3.70 118.95 120.00 2b8e s ARG 539 Ca 0.00 -0.70 -0.30 0.00 -0.47 0.00 0.00 55.73 54.26 2b8e s ARG 539 Cb 0.00 -1.81 -0.08 0.00 -0.57 0.00 0.00 34.95 32.49 2b8e s ARG 539 CO 0.00 0.24 1.16 0.08 -1.08 0.00 0.00 175.30 175.70 2b8e s VAL 540 N 0.12 3.65 -0.17 4.99 1.01 -1.26 -0.45 120.40 128.29 2b8e s VAL 540 Ca -0.08 1.41 0.10 0.00 0.00 0.00 0.00 61.98 63.41 2b8e s VAL 540 Cb -0.14 -3.90 -0.23 0.00 0.00 0.00 0.00 36.38 32.11 2b8e s VAL 540 CO 0.04 0.24 0.15 -0.62 0.00 0.00 0.00 175.10 174.91 2b8e n GLU 541 N 2.38 0.68 -3.44 2.72 -0.58 0.34 -4.83 120.64 117.91 2b8e n GLU 541 Ca 0.03 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 2b8e n GLU 541 Cb 0.45 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 2b8e n GLU 541 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2b8e n GLY 542 N 1.86 -1.33 3.10 0.62 0.00 -1.05 -1.06 105.19 107.32 2b8e n GLY 542 Ca -0.33 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.46 2b8e n GLY 542 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b8e s ILE 543 N -2.95 1.18 -0.16 -0.61 1.01 -0.56 -1.62 121.20 117.49 2b8e s ILE 543 Ca 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.06 2b8e s ILE 543 Cb 0.00 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.48 2b8e s ILE 543 CO 0.00 0.34 -0.17 -0.63 0.00 0.00 0.00 174.94 174.49 2b8e s ILE 544 N -0.06 1.79 -0.11 2.92 1.01 -0.69 -0.52 121.20 125.54 2b8e s ILE 544 Ca -0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 2b8e s ILE 544 Cb -0.09 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 2b8e s ILE 544 CO 0.01 0.49 0.07 0.00 0.00 0.00 0.00 174.94 175.51 2b8e s ALA 545 N 1.40 3.55 0.02 9.38 0.00 0.48 -0.63 121.76 135.97 2b8e s ALA 545 Ca 0.05 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.36 2b8e s ALA 545 Cb -0.13 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 2b8e s ALA 545 CO -0.12 0.57 -0.23 0.08 0.00 0.00 0.00 175.76 176.06 2b8e s VAL 546 N -0.85 1.84 -0.02 0.00 1.01 0.21 -0.29 120.40 122.29 2b8e s VAL 546 Ca 0.13 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 60.96 2b8e s VAL 546 Cb -0.12 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.70 2b8e s VAL 546 CO 0.03 0.35 -0.09 -0.55 0.00 0.00 0.00 175.10 174.83 2b8e s SER 547 N -0.98 1.24 -0.29 3.32 0.15 0.37 0.24 113.70 117.75 2b8e s SER 547 Ca 0.09 -0.19 -0.03 0.00 0.70 0.00 0.00 55.95 56.52 2b8e s SER 547 Cb -0.09 -0.30 0.04 0.00 -1.71 0.00 0.00 66.02 63.96 2b8e s SER 547 CO 0.01 0.08 0.00 -0.62 1.20 0.00 0.00 173.24 173.91 2b8e s ASP 548 N 0.11 4.80 0.33 5.45 3.68 -1.26 0.64 116.67 130.42 2b8e s ASP 548 Ca -0.02 -1.06 -0.29 0.00 2.13 0.00 0.00 52.55 53.32 2b8e s ASP 548 Cb -0.08 -1.74 -0.10 0.00 -1.45 0.00 0.00 42.92 39.55 2b8e s ASP 548 CO 0.00 -0.22 1.27 -0.89 0.13 0.00 0.00 175.17 175.46 2b8e s THR 549 N 1.33 2.85 0.58 1.71 2.01 -1.26 -4.89 115.64 117.96 2b8e s THR 549 Ca -0.02 0.85 -0.17 0.00 0.31 0.00 0.00 61.69 62.66 2b8e s THR 549 Cb -0.18 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2b8e s THR 549 CO -0.01 0.20 1.08 -0.76 -0.69 0.00 0.00 174.62 174.43 2b8e s LEU 550 N -1.80 3.59 0.45 4.42 1.43 -1.26 -0.92 118.68 124.58 2b8e s LEU 550 Ca 0.49 1.93 -0.23 0.00 -1.03 0.00 0.00 54.13 55.29 2b8e s LEU 550 Cb -0.38 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.21 2b8e s LEU 550 CO 0.50 -1.19 1.10 -0.54 0.23 0.00 0.00 176.35 176.45 2b8e s LYS 551 N -3.78 3.89 0.33 1.70 1.02 -0.28 -4.56 119.74 118.05 2b8e s LYS 551 Ca 0.66 1.59 0.01 0.00 0.02 0.00 0.00 55.97 58.26 2b8e s LYS 551 Cb -0.18 -2.37 0.56 0.00 -0.52 0.00 0.00 37.83 35.31 2b8e s LYS 551 CO 0.33 -0.40 1.95 1.49 -0.92 0.00 0.00 175.35 177.80 2b8e h GLU 552 N 2.07 0.84 0.00 1.68 4.22 -1.95 -1.87 114.58 119.57 2b8e h GLU 552 Ca -0.49 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 58.87 2b8e h GLU 552 Cb 1.23 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2b8e h GLU 552 CO 0.60 0.62 0.00 0.66 -2.18 0.00 0.00 179.01 178.71 2b8e h SER 553 N 0.85 0.00 0.16 1.04 4.64 -1.94 -3.35 113.55 114.95 2b8e h SER 553 Ca 0.22 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2b8e h SER 553 Cb 0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 2b8e h SER 553 CO -0.04 0.00 -0.25 0.00 -0.87 0.00 0.00 176.83 175.67 2b8e h ALA 554 N 2.14 -0.87 -0.37 5.18 0.00 -1.64 -2.51 119.26 121.19 2b8e h ALA 554 Ca 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.90 2b8e h ALA 554 Cb 0.49 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 18.76 2b8e h ALA 554 CO 0.00 -0.91 -0.44 -0.22 0.00 0.00 0.00 179.25 177.68 2b8e h LYS 555 N -0.44 -0.35 -0.81 0.00 1.63 -1.74 -2.72 116.57 112.14 2b8e h LYS 555 Ca -0.02 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 2b8e h LYS 555 Cb 0.40 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.07 2b8e h LYS 555 CO -0.08 -0.23 0.45 -1.00 -3.45 0.00 0.00 179.45 175.14 2b8e h PRO 556 N -0.36 1.13 -0.66 1.90 0.13 -1.78 -2.72 132.00 129.63 2b8e h PRO 556 Ca 0.12 -0.13 0.04 0.00 -0.87 0.00 0.00 66.00 65.17 2b8e h PRO 556 Cb 0.59 -0.22 -0.05 0.00 0.13 0.00 0.00 31.00 31.45 2b8e h PRO 556 CO -0.55 0.82 0.40 0.00 -0.23 0.00 0.00 178.00 178.44 2b8e h ALA 557 N 1.35 0.87 -0.50 -0.56 0.00 -1.15 -0.60 119.26 118.68 2b8e h ALA 557 Ca 0.29 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 2b8e h ALA 557 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2b8e h ALA 557 CO -0.05 0.13 0.07 0.28 0.00 0.00 0.00 179.25 179.68 2b8e h VAL 558 N 0.76 1.23 0.43 0.00 2.07 -1.31 -2.15 116.25 117.29 2b8e h VAL 558 Ca 0.28 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 2b8e h VAL 558 Cb 0.08 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2b8e h VAL 558 CO -0.13 0.32 -0.21 1.56 0.02 0.00 0.00 177.57 179.13 2b8e h GLN 559 N 0.75 -0.56 -0.61 1.57 4.20 -0.85 -1.83 115.11 117.77 2b8e h GLN 559 Ca 0.16 0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.95 2b8e h GLN 559 Cb 0.36 0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.22 2b8e h GLN 559 CO 0.01 -0.37 0.35 0.93 -0.67 0.00 0.00 178.83 179.07 2b8e h GLU 560 N -0.59 0.64 -0.39 1.46 4.39 -1.10 -2.12 114.58 116.88 2b8e h GLU 560 Ca -0.06 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.61 2b8e h GLU 560 Cb 0.45 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 2b8e h GLU 560 CO 0.10 0.42 0.24 -0.07 -1.16 0.00 0.00 179.01 178.55 2b8e h LEU 561 N 0.66 0.41 -1.09 1.33 3.38 -1.27 -2.30 115.31 116.43 2b8e h LEU 561 Ca 0.26 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 2b8e h LEU 561 Cb 0.12 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2b8e h LEU 561 CO -0.15 0.30 0.32 0.11 0.09 0.00 0.00 178.44 179.11 2b8e h LYS 562 N 0.50 0.96 -1.98 1.13 1.57 -1.02 -2.51 116.57 115.22 2b8e h LYS 562 Ca 0.15 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2b8e h LYS 562 Cb -0.03 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.10 2b8e h LYS 562 CO -0.05 0.75 0.00 0.54 -0.57 0.00 0.00 179.45 180.12 2b8e n ARG 563 N -4.34 0.00 -2.60 3.15 5.12 -0.82 -3.75 116.66 113.42 2b8e n ARG 563 Ca 0.06 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.97 2b8e n ARG 563 Cb 0.14 -1.37 0.08 0.00 -1.16 0.00 0.00 32.46 30.15 2b8e n ARG 563 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2b8e n GLY 565 N 1.72 1.83 3.34 -0.13 0.00 -1.13 -5.12 105.19 105.70 2b8e n GLY 565 Ca 0.00 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 2b8e n GLY 565 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b8e s ILE 566 N -1.42 2.93 0.03 -0.61 1.01 -0.96 -4.95 121.20 117.23 2b8e s ILE 566 Ca 0.17 -0.70 -0.30 0.00 0.00 0.00 0.00 60.65 59.81 2b8e s ILE 566 Cb 0.37 -2.23 -0.06 0.00 0.01 0.00 0.00 42.46 40.55 2b8e s ILE 566 CO -0.09 0.52 1.45 -0.54 0.00 0.00 0.00 174.94 176.28 2b8e s LYS 567 N 0.47 4.27 -0.21 2.79 1.02 0.84 -3.90 119.74 125.02 2b8e s LYS 567 Ca -0.10 2.05 -0.07 0.00 0.02 0.00 0.00 55.97 57.88 2b8e s LYS 567 Cb -0.16 -3.53 -0.03 0.00 -0.52 0.00 0.00 37.83 33.59 2b8e s LYS 567 CO 0.05 -0.59 0.05 0.08 -0.92 0.00 0.00 175.35 174.02 2b8e s VAL 568 N 2.25 4.45 0.00 3.17 1.01 -1.26 0.22 120.40 130.25 2b8e s VAL 568 Ca 0.66 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2b8e s VAL 568 Cb -0.34 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2b8e s VAL 568 CO 0.28 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.39 2b8e n GLY 569 N 4.21 5.52 3.64 4.51 0.00 0.21 -0.13 105.19 123.15 2b8e n GLY 569 Ca -0.16 -1.52 -0.07 0.00 0.00 0.00 0.00 46.02 44.26 2b8e n GLY 569 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2b8e s ILE 571 N 1.16 0.00 0.12 -0.61 2.07 -0.60 -0.75 121.20 122.59 2b8e s ILE 571 Ca 0.00 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.11 2b8e s ILE 571 Cb 0.00 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.61 2b8e s ILE 571 CO 0.00 0.00 0.33 0.28 -1.91 0.00 0.00 174.94 173.64 2b8e s THR 572 N 1.17 0.09 -2.43 4.00 -1.32 -0.35 -1.93 115.64 114.87 2b8e s THR 572 Ca -0.06 -0.90 0.22 0.00 -1.21 0.00 0.00 61.69 59.74 2b8e s THR 572 Cb -0.05 -1.35 0.42 0.00 -1.51 0.00 0.00 72.50 70.02 2b8e s THR 572 CO -0.13 -0.40 1.47 0.61 -2.21 0.00 0.00 174.62 173.95 2b8e n GLY 573 N -0.18 0.95 3.85 6.08 0.00 -1.25 -2.20 105.19 112.44 2b8e n GLY 573 Ca -0.14 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 2b8e n GLY 573 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2b8e s ASP 574 N -1.58 5.90 0.65 1.61 1.11 -1.26 -4.30 116.67 118.80 2b8e s ASP 574 Ca 0.35 1.50 -0.18 0.00 0.18 0.00 0.00 52.55 54.40 2b8e s ASP 574 Cb 0.20 -2.48 -0.01 0.00 1.07 0.00 0.00 42.92 41.70 2b8e s ASP 574 CO 0.29 -1.09 1.28 0.54 1.18 0.00 0.00 175.17 177.37 2b8e s ASN 575 N -3.99 4.59 0.34 0.27 2.20 -1.26 -1.88 114.94 115.20 2b8e s ASN 575 Ca 0.56 2.58 0.04 0.00 -0.94 0.00 0.00 52.86 55.11 2b8e s ASN 575 Cb -0.12 -2.61 0.67 0.00 -2.00 0.00 0.00 41.25 37.19 2b8e s ASN 575 CO 0.54 -2.01 1.92 -0.50 -2.94 0.00 0.00 177.10 174.10 2b8e h TRP 576 N 0.48 0.89 -0.58 1.54 4.06 -1.95 0.24 115.95 120.63 2b8e h TRP 576 Ca -0.51 0.02 -0.10 0.00 2.06 0.00 0.00 58.89 60.37 2b8e h TRP 576 Cb 1.33 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 29.18 2b8e h TRP 576 CO 0.42 0.44 -0.01 -0.09 -3.56 0.00 0.00 178.44 175.64 2b8e h ARG 577 N 0.85 1.03 -0.06 0.49 2.43 -1.91 0.85 114.38 118.06 2b8e h ARG 577 Ca 0.38 -0.33 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2b8e h ARG 577 Cb 0.35 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2b8e h ARG 577 CO -0.15 1.02 -0.09 1.03 -1.51 0.00 0.00 179.97 180.28 2b8e h SER 578 N 0.92 0.19 -0.72 -3.80 0.87 -1.41 -2.14 113.55 107.46 2b8e h SER 578 Ca 0.16 -0.52 0.08 0.00 -1.23 0.00 0.00 61.79 60.28 2b8e h SER 578 Cb 0.56 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.41 2b8e h SER 578 CO 0.03 0.67 0.39 0.00 -0.53 0.00 0.00 176.83 177.39 2b8e h ALA 579 N 0.52 0.98 0.00 6.23 0.00 -0.36 -1.56 119.26 125.07 2b8e h ALA 579 Ca 0.01 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2b8e h ALA 579 Cb 0.63 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2b8e h ALA 579 CO 0.02 0.03 -0.31 1.49 0.00 0.00 0.00 179.25 180.47 2b8e h GLU 580 N 0.68 0.00 -0.08 0.00 4.57 0.79 -2.28 114.58 118.26 2b8e h GLU 580 Ca 0.34 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.31 2b8e h GLU 580 Cb 0.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 2b8e h GLU 580 CO -0.23 0.31 -0.81 0.00 -1.18 0.00 0.00 179.01 177.10 2b8e h ALA 581 N 1.69 0.43 -0.28 2.92 0.00 -0.61 -2.50 119.26 120.91 2b8e h ALA 581 Ca -0.00 -0.63 -0.10 0.00 0.00 0.00 0.00 54.91 54.17 2b8e h ALA 581 Cb 0.62 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2b8e h ALA 581 CO 0.04 0.75 -0.26 0.82 0.00 0.00 0.00 179.25 180.60 2b8e h ILE 582 N 0.35 1.27 -0.45 0.00 2.04 -1.26 -2.19 117.51 117.27 2b8e h ILE 582 Ca -0.05 -1.31 0.01 0.00 1.00 0.00 0.00 64.86 64.50 2b8e h ILE 582 Cb 1.42 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 2b8e h ILE 582 CO 0.15 0.42 0.30 -1.28 0.00 0.00 0.00 178.15 177.74 2b8e h SER 583 N 0.48 0.50 0.88 1.72 0.87 -1.20 0.02 113.55 116.82 2b8e h SER 583 Ca 0.07 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.53 2b8e h SER 583 Cb 0.70 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2b8e h SER 583 CO 0.05 0.36 -0.43 0.03 -0.53 0.00 0.00 176.83 176.31 2b8e h ARG 584 N 0.58 0.00 0.00 2.24 3.08 -0.95 0.72 114.38 120.05 2b8e h ARG 584 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 2b8e h ARG 584 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 2b8e h ARG 584 CO -0.04 0.43 -0.07 0.93 -1.07 0.00 0.00 179.97 180.15 2b8e h GLU 585 N 0.00 0.00 0.00 0.04 5.08 -0.88 -3.32 114.58 115.50 2b8e h GLU 585 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2b8e h GLU 585 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2b8e h GLU 585 CO 0.06 0.88 0.00 1.28 -1.00 0.00 0.00 179.01 180.22 2b8e n LEU 586 N -4.62 0.00 -2.78 1.33 4.77 -0.16 -4.89 117.00 110.66 2b8e n LEU 586 Ca -0.10 0.22 -0.21 0.00 -0.03 0.00 0.00 56.01 55.88 2b8e n LEU 586 Cb 0.43 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 2b8e n LEU 586 CO 0.29 -0.01 -0.11 -3.20 -1.33 0.00 0.00 177.39 173.02 2b8e n ASN 587 N -1.22 -5.74 -4.62 -1.43 5.15 0.14 -4.77 115.26 102.76 2b8e n ASN 587 Ca 0.16 -0.16 -0.37 0.00 -0.60 0.00 0.00 54.58 53.60 2b8e n ASN 587 Cb 0.20 -4.71 0.06 0.00 -0.53 0.00 0.00 39.78 34.80 2b8e n ASN 587 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2b8e n LEU 588 N -3.56 3.91 0.10 1.20 4.77 -0.55 -4.92 117.00 117.96 2b8e n LEU 588 Ca -0.16 0.77 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 2b8e n LEU 588 Cb 0.64 -1.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.30 2b8e n LEU 588 CO 0.39 -1.84 0.23 0.44 -1.33 0.00 0.00 177.39 175.27 2b8e h ASP 589 N 0.30 0.00 -4.86 -1.43 3.45 -0.88 -3.48 116.42 109.52 2b8e h ASP 589 Ca -0.49 0.00 0.01 0.00 0.43 0.00 0.00 57.03 56.99 2b8e h ASP 589 Cb 1.36 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 39.99 2b8e h ASP 589 CO 0.50 0.59 0.30 -1.48 -1.57 0.00 0.00 179.24 177.58 2b8e s LEU 590 N -6.32 -0.52 0.03 1.55 2.34 -1.18 -4.99 118.68 109.60 2b8e s LEU 590 Ca 0.02 0.11 0.03 0.00 0.06 0.00 0.00 54.13 54.34 2b8e s LEU 590 Cb 0.08 2.40 -0.02 0.00 -0.56 0.00 0.00 46.19 48.10 2b8e s LEU 590 CO 0.77 -0.80 -0.09 -0.69 -1.06 0.00 0.00 176.35 174.48 2b8e s VAL 591 N -3.14 0.66 -0.28 1.48 1.01 -1.26 -4.38 120.40 114.49 2b8e s VAL 591 Ca 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 2b8e s VAL 591 Cb -0.01 -0.65 0.09 0.00 0.00 0.00 0.00 36.38 35.80 2b8e s VAL 591 CO -0.08 -0.16 0.07 -0.63 0.00 0.00 0.00 175.10 174.30 2b8e s ILE 592 N -0.94 0.80 0.56 2.22 1.01 -1.26 -5.03 121.20 118.55 2b8e s ILE 592 Ca -0.04 -1.16 0.06 0.00 0.00 0.00 0.00 60.65 59.51 2b8e s ILE 592 Cb -0.08 -1.49 0.05 0.00 0.01 0.00 0.00 42.46 40.95 2b8e s ILE 592 CO 0.01 -0.53 0.49 0.00 0.00 0.00 0.00 174.94 174.91 2b8e s ALA 593 N 1.68 4.52 -1.57 9.38 0.00 -1.26 -1.21 121.76 133.29 2b8e s ALA 593 Ca 0.06 -1.42 -0.12 0.00 0.00 0.00 0.00 51.96 50.47 2b8e s ALA 593 Cb -0.17 -0.88 0.10 0.00 0.00 0.00 0.00 23.12 22.16 2b8e s ALA 593 CO -0.20 -0.55 0.78 0.39 0.00 0.00 0.00 175.76 176.17 2b8e n GLU 594 N -1.89 -4.05 -3.96 0.00 -0.58 -0.79 -4.90 120.64 104.48 2b8e n GLU 594 Ca 0.02 0.46 -0.35 0.00 -0.42 0.00 0.00 57.16 56.87 2b8e n GLU 594 Cb 0.64 -5.12 -0.12 0.00 -0.57 0.00 0.00 31.44 26.27 2b8e n GLU 594 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2b8e s VAL 595 N -3.44 4.24 0.55 2.62 1.01 -0.93 -4.97 120.40 119.48 2b8e s VAL 595 Ca 0.53 -0.21 -0.18 0.00 0.00 0.00 0.00 61.98 62.13 2b8e s VAL 595 Cb -0.28 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 2b8e s VAL 595 CO 0.88 0.40 1.06 -0.76 0.00 0.00 0.00 175.10 176.68 2b8e s LEU 596 N 1.10 3.64 0.20 3.92 1.43 -1.26 -3.81 118.68 123.90 2b8e s LEU 596 Ca 0.03 1.90 -0.13 0.00 -1.03 0.00 0.00 54.13 54.89 2b8e s LEU 596 Cb -0.14 -4.55 0.22 0.00 0.03 0.00 0.00 46.19 41.75 2b8e s LEU 596 CO 0.02 -1.05 1.65 -0.65 0.23 0.00 0.00 176.35 176.55 2b8e h PRO 597 N 0.90 0.03 0.00 1.29 0.11 -1.99 -0.73 132.00 131.61 2b8e h PRO 597 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2b8e h PRO 597 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2b8e h PRO 597 CO 0.58 0.02 0.00 -2.39 -0.21 0.00 0.00 178.00 176.00 2b8e n HIS 598 N -5.36 0.00 -0.30 0.65 1.44 -1.26 -2.57 115.22 107.81 2b8e n HIS 598 Ca 0.07 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.81 2b8e n HIS 598 Cb 0.31 -0.34 0.05 0.00 0.12 0.00 0.00 29.99 30.13 2b8e n HIS 598 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2b8e n GLN 599 N -1.34 2.55 -0.13 -1.40 10.64 -0.29 -4.65 117.38 122.76 2b8e n GLN 599 Ca 0.03 -1.83 -0.08 0.00 -1.83 0.00 0.00 57.00 53.29 2b8e n GLN 599 Cb 0.07 -1.16 0.07 0.00 -0.86 0.00 0.00 30.24 28.36 2b8e n GLN 599 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 2b8e h LYS 600 N 0.14 0.88 -0.37 2.61 1.57 -1.41 -2.34 116.57 117.65 2b8e h LYS 600 Ca 0.00 -0.33 0.01 0.00 -1.87 0.00 0.00 60.65 58.46 2b8e h LYS 600 Cb 0.66 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 2b8e h LYS 600 CO 0.00 0.97 0.24 1.03 -0.57 0.00 0.00 179.45 181.13 2b8e h SER 601 N 0.78 0.42 -0.23 0.86 0.87 -1.82 -2.11 113.55 112.31 2b8e h SER 601 Ca 0.12 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.52 2b8e h SER 601 Cb 0.68 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2b8e h SER 601 CO 0.05 0.30 -0.42 -0.08 -0.53 0.00 0.00 176.83 176.15 2b8e h GLU 602 N 0.49 0.68 -0.86 2.24 4.57 -1.73 -2.01 114.58 117.96 2b8e h GLU 602 Ca 0.14 -0.43 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 2b8e h GLU 602 Cb -0.04 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 2b8e h GLU 602 CO -0.03 1.05 0.49 0.93 -1.18 0.00 0.00 179.01 180.27 2b8e h GLU 603 N 0.39 1.19 -0.29 1.92 4.39 -1.11 0.24 114.58 121.32 2b8e h GLU 603 Ca 0.01 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 2b8e h GLU 603 Cb 1.02 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 2b8e h GLU 603 CO 0.09 0.86 0.08 0.28 -1.16 0.00 0.00 179.01 179.16 2b8e h VAL 604 N 1.20 1.21 -0.11 3.13 2.07 -1.34 -0.37 116.25 122.04 2b8e h VAL 604 Ca 0.31 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 67.17 2b8e h VAL 604 Cb 0.01 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 2b8e h VAL 604 CO -0.05 0.23 -0.18 0.50 0.02 0.00 0.00 177.57 178.09 2b8e h LYS 605 N 0.31 -0.22 -0.30 1.57 3.64 -0.79 0.96 116.57 121.73 2b8e h LYS 605 Ca 0.09 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.54 2b8e h LYS 605 Cb 0.28 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 2b8e h LYS 605 CO 0.00 -0.15 0.00 0.87 -2.27 0.00 0.00 179.45 177.90 2b8e h LYS 606 N -0.23 0.09 -0.23 1.90 1.57 -0.78 -0.94 116.57 117.95 2b8e h LYS 606 Ca 0.09 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 2b8e h LYS 606 Cb 0.37 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2b8e h LYS 606 CO -0.25 0.06 0.16 1.25 -0.57 0.00 0.00 179.45 180.10 2b8e h LEU 607 N 0.09 0.10 0.00 2.94 5.85 -0.27 -1.48 115.31 122.55 2b8e h LEU 607 Ca 0.14 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2b8e h LEU 607 Cb 0.19 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2b8e h LEU 607 CO -0.24 0.07 0.00 0.00 -0.34 0.00 0.00 178.44 177.93 2b8e n GLN 608 N -4.49 0.41 0.06 1.25 6.02 0.26 -2.58 117.38 118.31 2b8e n GLN 608 Ca 0.02 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.87 2b8e n GLN 608 Cb 0.22 -1.34 -0.05 0.00 1.02 0.00 0.00 30.24 30.09 2b8e n GLN 608 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b8e h ALA 609 N 2.50 0.35 0.00 -1.58 0.00 -1.34 -3.35 119.26 115.84 2b8e h ALA 609 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2b8e h ALA 609 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2b8e h ALA 609 CO 0.00 0.80 0.00 0.36 0.00 0.00 0.00 179.25 180.41 2b8e n LYS 610 N -3.76 1.88 -3.97 0.00 0.00 -1.10 -5.07 118.16 106.14 2b8e n LYS 610 Ca -0.07 -1.19 -0.08 0.00 -0.00 0.00 0.00 58.31 56.97 2b8e n LYS 610 Cb 0.84 -0.96 -0.09 0.00 -0.00 0.00 0.00 35.03 34.82 2b8e n LYS 610 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2b8e s GLU 611 N -0.70 0.65 -0.44 -1.58 0.41 -1.07 -5.09 118.70 110.88 2b8e s GLU 611 Ca 0.00 -0.96 -0.16 0.00 -0.41 0.00 0.00 54.97 53.45 2b8e s GLU 611 Cb 0.00 0.25 0.04 0.00 -1.78 0.00 0.00 34.13 32.64 2b8e s GLU 611 CO 0.00 -0.16 0.38 0.08 -0.49 0.00 0.00 175.26 175.07 2b8e s VAL 612 N -3.31 5.20 -0.15 2.63 1.01 -1.26 -4.44 120.40 120.08 2b8e s VAL 612 Ca 0.01 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.08 2b8e s VAL 612 Cb 0.03 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 2b8e s VAL 612 CO -0.08 -0.46 0.32 -0.69 0.00 0.00 0.00 175.10 174.19 2b8e s VAL 613 N 1.79 5.28 -0.25 2.92 1.01 -1.26 -1.91 120.40 127.99 2b8e s VAL 613 Ca 0.06 0.62 -0.07 0.00 0.00 0.00 0.00 61.98 62.59 2b8e s VAL 613 Cb -0.21 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 2b8e s VAL 613 CO 0.09 0.39 0.05 0.00 0.00 0.00 0.00 175.10 175.63 2b8e s ALA 614 N 0.44 3.10 -0.24 5.51 0.00 -0.22 -0.90 121.76 129.45 2b8e s ALA 614 Ca 0.18 -1.15 -0.06 0.00 0.00 0.00 0.00 51.96 50.93 2b8e s ALA 614 Cb -0.13 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 2b8e s ALA 614 CO 0.05 -0.50 0.04 0.12 0.00 0.00 0.00 175.76 175.47 2b8e s PHE 615 N 1.59 3.05 -0.37 0.00 2.19 0.16 -0.27 117.98 124.34 2b8e s PHE 615 Ca 0.06 -0.59 -0.10 0.00 0.33 0.00 0.00 56.93 56.63 2b8e s PHE 615 Cb -0.15 -2.20 0.03 0.00 -1.31 0.00 0.00 43.02 39.39 2b8e s PHE 615 CO 0.02 -0.42 0.19 0.08 1.83 0.00 0.00 175.22 176.92 2b8e s VAL 616 N 1.57 4.42 0.00 3.12 1.01 0.15 -0.44 120.40 130.23 2b8e s VAL 616 Ca 0.06 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2b8e s VAL 616 Cb -0.15 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2b8e s VAL 616 CO 0.02 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.50 2b8e n GLY 617 N 4.96 4.24 0.15 4.51 0.00 0.11 -0.47 105.19 118.69 2b8e n GLY 617 Ca -0.12 -1.59 0.04 0.00 0.00 0.00 0.00 46.02 44.35 2b8e n GLY 617 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2b8e h ASP 618 N 0.00 0.00 0.00 1.61 3.04 -1.84 -1.17 116.42 118.06 2b8e h ASP 618 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2b8e h ASP 618 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2b8e h ASP 618 CO 0.00 0.41 0.00 0.61 -2.04 0.00 0.00 179.24 178.22 2b8e n GLY 619 N 1.22 2.96 0.13 7.15 0.00 -1.26 -4.52 105.19 110.87 2b8e n GLY 619 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 2b8e n GLY 619 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2b8e n ILE 620 N -2.00 1.68 -0.08 -0.61 -6.64 -1.26 -3.79 119.36 106.66 2b8e n ILE 620 Ca 0.00 -0.43 -0.07 0.00 -1.77 0.00 0.00 62.75 60.48 2b8e n ILE 620 Cb 0.00 -1.83 -0.15 0.00 -1.44 0.00 0.00 39.64 36.21 2b8e n ILE 620 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 2b8e n ASN 621 N -3.83 0.29 -1.28 7.28 3.02 -1.26 -4.47 115.26 115.01 2b8e n ASN 621 Ca -0.33 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.19 2b8e n ASN 621 Cb 0.91 1.09 0.22 0.00 -0.61 0.00 0.00 39.78 41.40 2b8e n ASN 621 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2b8e n ASP 622 N -2.65 3.24 -0.17 6.41 5.68 -1.26 -4.79 116.55 123.02 2b8e n ASP 622 Ca -0.28 -3.49 -0.06 0.00 -0.50 0.00 0.00 54.79 50.46 2b8e n ASP 622 Cb 1.05 -0.64 -0.00 0.00 -1.14 0.00 0.00 41.12 40.39 2b8e n ASP 622 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2b8e h ALA 623 N 1.38 -0.09 -0.45 2.12 0.00 -1.78 0.14 119.26 120.57 2b8e h ALA 623 Ca 0.21 0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.39 2b8e h ALA 623 Cb 1.80 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 20.31 2b8e h ALA 623 CO 0.45 -0.69 0.47 -1.00 0.00 0.00 0.00 179.25 178.48 2b8e h PRO 624 N -0.20 0.00 -0.17 0.00 0.13 -1.91 0.29 132.00 130.15 2b8e h PRO 624 Ca 0.21 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.20 2b8e h PRO 624 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2b8e h PRO 624 CO -0.62 0.00 -0.42 0.00 -0.23 0.00 0.00 178.00 176.73 2b8e h ALA 625 N 1.49 0.27 -0.75 -0.56 0.00 -1.09 -0.98 119.26 117.66 2b8e h ALA 625 Ca 0.22 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2b8e h ALA 625 Cb 1.15 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2b8e h ALA 625 CO -0.00 0.39 0.26 -0.07 0.00 0.00 0.00 179.25 179.83 2b8e h LEU 626 N 0.23 1.07 -0.47 0.00 3.38 -0.22 -2.04 115.31 117.26 2b8e h LEU 626 Ca -0.01 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2b8e h LEU 626 Cb 1.04 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2b8e h LEU 626 CO 0.09 0.97 0.12 0.00 0.09 0.00 0.00 178.44 179.71 2b8e h ALA 627 N 1.13 0.62 -0.58 1.53 0.00 -0.93 -3.15 119.26 117.87 2b8e h ALA 627 Ca 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2b8e h ALA 627 Cb 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2b8e h ALA 627 CO -0.01 0.30 0.29 0.37 0.00 0.00 0.00 179.25 180.19 2b8e h GLN 628 N 0.63 0.84 -7.14 0.00 -0.00 -0.92 -3.45 115.11 105.06 2b8e h GLN 628 Ca 0.15 -0.12 -0.50 0.00 -0.00 0.00 0.00 58.65 58.18 2b8e h GLN 628 Cb 0.32 -0.15 0.21 0.00 0.00 0.00 0.00 27.48 27.85 2b8e h GLN 628 CO 0.00 0.67 0.00 0.00 0.00 0.00 0.00 178.83 179.51 2b8e n ALA 629 N -2.33 -1.78 0.03 3.38 0.00 -0.79 -4.89 120.51 114.13 2b8e n ALA 629 Ca 0.03 -0.78 -0.07 0.00 0.00 0.00 0.00 53.44 52.62 2b8e n ALA 629 Cb 0.12 -2.06 0.09 0.00 0.00 0.00 0.00 19.45 17.59 2b8e n ALA 629 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2b8e h ASP 630 N -2.10 0.49 -3.22 0.00 3.32 -1.32 -3.41 116.42 110.18 2b8e h ASP 630 Ca -0.49 -0.26 -0.43 0.00 0.02 0.00 0.00 57.03 55.87 2b8e h ASP 630 Cb 1.29 -0.14 -0.39 0.00 0.22 0.00 0.00 39.33 40.31 2b8e h ASP 630 CO 0.42 0.94 -0.75 -0.22 -1.72 0.00 0.00 179.24 177.91 2b8e s LEU 631 N -8.24 0.42 -0.25 1.55 2.96 -0.73 -4.97 118.68 109.42 2b8e s LEU 631 Ca -0.06 -0.27 -0.11 0.00 -0.22 0.00 0.00 54.13 53.47 2b8e s LEU 631 Cb 0.12 -0.29 -0.05 0.00 0.50 0.00 0.00 46.19 46.47 2b8e s LEU 631 CO 0.82 -0.27 0.21 -0.83 -1.32 0.00 0.00 176.35 174.95 2b8e s GLY 632 N 2.08 1.97 -0.17 7.98 0.00 -1.25 -0.67 107.32 117.26 2b8e s GLY 632 Ca 0.03 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.85 2b8e s GLY 632 CO -0.06 0.55 -0.20 -0.42 0.00 0.00 0.00 173.10 172.97 2b8e s ILE 633 N 1.37 2.07 -0.18 0.90 1.01 0.42 -1.51 121.20 125.28 2b8e s ILE 633 Ca 0.09 -0.94 -0.07 0.00 0.00 0.00 0.00 60.65 59.72 2b8e s ILE 633 Cb -0.15 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 2b8e s ILE 633 CO 0.07 0.54 0.06 0.00 0.00 0.00 0.00 174.94 175.61 2b8e s ALA 634 N 1.20 3.40 0.30 9.38 0.00 -0.28 -0.71 121.76 135.05 2b8e s ALA 634 Ca 0.03 -0.74 0.10 0.00 0.00 0.00 0.00 51.96 51.34 2b8e s ALA 634 Cb -0.14 -1.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.03 2b8e s ALA 634 CO -0.11 0.19 -0.04 0.08 0.00 0.00 0.00 175.76 175.88 2b8e s VAL 635 N 0.34 2.85 -1.34 0.00 1.01 -0.44 -0.42 120.40 122.41 2b8e s VAL 635 Ca 0.03 -2.05 -0.01 0.00 0.00 0.00 0.00 61.98 59.95 2b8e s VAL 635 Cb -0.12 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.56 2b8e s VAL 635 CO 0.00 -0.30 0.68 0.61 0.00 0.00 0.00 175.10 176.09 2b8e n GLY 636 N -0.86 -0.29 3.15 4.51 0.00 -0.63 -4.65 105.19 106.42 2b8e n GLY 636 Ca -0.05 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 2b8e n GLY 636 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2b8e s SER 637 N -4.30 1.85 0.00 1.61 0.15 -0.67 -4.89 113.70 107.44 2b8e s SER 637 Ca 0.04 -0.40 0.20 0.00 0.70 0.00 0.00 55.95 56.50 2b8e s SER 637 Cb -0.02 -0.16 0.54 0.00 -1.71 0.00 0.00 66.02 64.67 2b8e s SER 637 CO 0.82 0.12 1.45 0.61 1.20 0.00 0.00 173.24 177.44 2b8e n GLY 638 N 2.21 1.78 0.82 9.45 0.00 -1.26 -3.89 105.19 114.30 2b8e n GLY 638 Ca -0.16 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2b8e n GLY 638 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2b8e n SER 645 N 1.28 0.00 -3.59 1.61 7.64 -1.26 -4.95 113.62 114.34 2b8e n SER 645 Ca 0.20 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.97 2b8e n SER 645 Cb 0.52 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.66 2b8e n SER 645 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2b8e s GLY 646 N -0.46 -0.30 0.29 0.23 0.00 -1.26 -4.72 107.32 101.10 2b8e s GLY 646 Ca 0.00 2.10 0.02 0.00 0.00 0.00 0.00 44.72 46.84 2b8e s GLY 646 CO 0.00 1.30 1.76 -0.55 0.00 0.00 0.00 173.10 175.60 2b8e h ASP 647 N 3.26 0.54 -3.38 1.64 3.32 -1.63 -3.40 116.42 116.77 2b8e h ASP 647 Ca -0.23 -0.16 -0.50 0.00 0.02 0.00 0.00 57.03 56.17 2b8e h ASP 647 Cb 1.16 -0.15 -0.34 0.00 0.22 0.00 0.00 39.33 40.22 2b8e h ASP 647 CO 0.25 0.72 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.06 2b8e s ILE 648 N -4.68 0.99 -0.18 0.35 1.01 -0.91 -4.96 121.20 112.82 2b8e s ILE 648 Ca -0.08 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.22 2b8e s ILE 648 Cb 0.14 -0.94 0.03 0.00 0.01 0.00 0.00 42.46 41.69 2b8e s ILE 648 CO 0.79 0.33 -0.17 -0.69 0.00 0.00 0.00 174.94 175.20 2b8e s VAL 649 N 0.94 1.89 -0.16 2.92 1.01 -1.26 -1.12 120.40 124.61 2b8e s VAL 649 Ca -0.10 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 2b8e s VAL 649 Cb -0.15 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2b8e s VAL 649 CO 0.01 0.45 0.08 -0.76 0.00 0.00 0.00 175.10 174.87 2b8e s LEU 650 N 1.34 3.95 -0.04 3.92 1.02 0.44 -4.99 118.68 124.34 2b8e s LEU 650 Ca 0.04 0.18 -0.26 0.00 0.02 0.00 0.00 54.13 54.11 2b8e s LEU 650 Cb -0.14 -1.99 -0.20 0.00 0.02 0.00 0.00 46.19 43.89 2b8e s LEU 650 CO -0.11 0.24 1.16 0.40 0.02 0.00 0.00 176.35 178.05 2b8e h ILE 651 N 4.60 1.32 -4.22 -0.59 1.08 -1.86 -2.98 117.51 114.86 2b8e h ILE 651 Ca -0.42 -1.25 -0.51 0.00 -0.39 0.00 0.00 64.86 62.29 2b8e h ILE 651 Cb 1.18 2.14 0.12 0.00 -3.07 0.00 0.00 36.82 37.19 2b8e h ILE 651 CO 0.68 0.31 0.36 -0.13 -0.69 0.00 0.00 178.15 178.67 2b8e s ARG 652 N -3.94 2.48 0.00 2.37 0.52 -1.26 -1.67 118.95 117.45 2b8e s ARG 652 Ca -0.16 1.41 0.24 0.00 -0.52 0.00 0.00 55.73 56.71 2b8e s ARG 652 Cb 0.01 -1.91 0.39 0.00 0.52 0.00 0.00 34.95 33.96 2b8e s ARG 652 CO 0.64 -1.50 1.33 -0.40 0.02 0.00 0.00 175.30 175.39 2b8e n ASP 653 N -2.80 1.25 -4.71 0.23 3.85 -1.26 -1.60 116.55 111.50 2b8e n ASP 653 Ca 0.11 -1.00 -0.42 0.00 -0.71 0.00 0.00 54.79 52.77 2b8e n ASP 653 Cb 0.52 0.35 -0.03 0.00 -1.35 0.00 0.00 41.12 40.61 2b8e n ASP 653 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2b8e s ASP 654 N -2.62 6.46 0.48 -1.12 -1.08 -1.26 -4.75 116.67 112.78 2b8e s ASP 654 Ca 0.19 2.74 0.27 0.00 -0.52 0.00 0.00 52.55 55.23 2b8e s ASP 654 Cb 0.18 -2.59 0.87 0.00 -1.46 0.00 0.00 42.92 39.92 2b8e s ASP 654 CO 0.60 -0.93 1.80 -0.07 0.52 0.00 0.00 175.17 177.09 2b8e h LEU 655 N 7.34 0.00 -2.16 -1.34 3.38 -1.90 -3.19 115.31 117.44 2b8e h LEU 655 Ca -0.43 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 2b8e h LEU 655 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2b8e h LEU 655 CO 0.94 0.08 -0.04 0.03 0.09 0.00 0.00 178.44 179.55 2b8e h ARG 656 N 0.00 0.00 -0.60 1.13 3.08 -1.90 -1.10 114.38 114.99 2b8e h ARG 656 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 2b8e h ARG 656 Cb 0.77 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 2b8e h ARG 656 CO 0.01 0.04 0.15 -0.44 -1.07 0.00 0.00 179.97 178.66 2b8e h ASP 657 N 0.00 0.86 -0.48 7.04 3.45 -1.96 0.14 116.42 125.48 2b8e h ASP 657 Ca -0.00 -0.16 -0.02 0.00 0.43 0.00 0.00 57.03 57.28 2b8e h ASP 657 Cb 0.09 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.61 2b8e h ASP 657 CO 0.01 0.84 0.21 0.58 -1.57 0.00 0.00 179.24 179.30 2b8e h VAL 658 N 0.89 1.20 -0.81 -1.35 2.07 -1.40 -0.25 116.25 116.59 2b8e h VAL 658 Ca 0.19 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 2b8e h VAL 658 Cb 0.31 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 2b8e h VAL 658 CO -0.00 0.22 0.35 0.58 0.02 0.00 0.00 177.57 178.74 2b8e h VAL 659 N 0.62 1.26 -0.18 2.57 2.07 -1.18 -2.32 116.25 119.09 2b8e h VAL 659 Ca 0.16 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.83 2b8e h VAL 659 Cb 0.16 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2b8e h VAL 659 CO -0.02 0.32 -0.19 0.00 0.02 0.00 0.00 177.57 177.71 2b8e h ALA 660 N 1.21 0.26 -0.72 1.67 0.00 -0.42 0.74 119.26 122.01 2b8e h ALA 660 Ca 0.27 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.90 2b8e h ALA 660 Cb 0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 2b8e h ALA 660 CO -0.03 0.19 0.40 0.00 0.00 0.00 0.00 179.25 179.81 2b8e h ALA 661 N 0.62 0.98 -0.28 0.00 0.00 -0.96 0.14 119.26 119.77 2b8e h ALA 661 Ca 0.03 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2b8e h ALA 661 Cb 0.74 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2b8e h ALA 661 CO 0.05 0.07 -0.03 0.82 0.00 0.00 0.00 179.25 180.16 2b8e h ILE 662 N 0.72 1.27 0.00 0.00 2.04 -1.31 -2.84 117.51 117.39 2b8e h ILE 662 Ca 0.33 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 2b8e h ILE 662 Cb 0.23 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2b8e h ILE 662 CO -0.20 0.31 -0.07 -0.61 0.00 0.00 0.00 178.15 177.58 2b8e h GLN 663 N 0.28 0.00 0.00 2.37 4.15 -0.12 -0.83 115.11 120.96 2b8e h GLN 663 Ca 0.08 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.43 2b8e h GLN 663 Cb 0.47 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 2b8e h GLN 663 CO 0.02 0.07 -0.32 1.25 -1.93 0.00 0.00 178.83 177.91 2b8e h LEU 664 N 0.00 0.00 -0.05 -2.39 5.85 -0.53 -3.10 115.31 115.10 2b8e h LEU 664 Ca -0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 2b8e h LEU 664 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2b8e h LEU 664 CO 0.01 0.32 -0.29 0.28 -0.34 0.00 0.00 178.44 178.43 2b8e h SER 665 N 0.00 0.33 -0.76 1.25 0.02 -0.95 -2.31 113.55 111.14 2b8e h SER 665 Ca -0.00 -0.67 0.12 0.00 -0.84 0.00 0.00 61.79 60.40 2b8e h SER 665 Cb 0.98 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.37 2b8e h SER 665 CO 0.04 0.95 0.50 0.03 -1.14 0.00 0.00 176.83 177.21 2b8e h ARG 666 N -0.26 0.52 0.32 3.45 3.08 -1.45 -2.86 114.38 117.17 2b8e h ARG 666 Ca -0.02 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2b8e h ARG 666 Cb 0.95 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.89 2b8e h ARG 666 CO 0.06 0.34 -0.15 -0.22 -1.07 0.00 0.00 179.97 178.93 2b8e h LYS 667 N 0.54 -0.41 0.00 0.04 1.63 -1.51 -3.51 116.57 113.35 2b8e h LYS 667 Ca 0.36 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.19 2b8e h LYS 667 Cb 0.67 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 2b8e h LYS 667 CO -0.13 -0.16 0.00 0.25 -3.45 0.00 0.00 179.45 175.96