#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 -0.67 0.00 -1.67 0.00 -1.97 -1.78 119.26 113.17 2b8e h ALA 411 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2b8e h ALA 411 Cb 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2b8e h ALA 411 CO 0.00 -0.84 -0.20 -0.07 0.00 0.00 0.00 179.25 178.14 2b8e h LEU 412 N -0.74 0.00 -0.03 0.00 3.38 -1.98 -2.33 115.31 113.61 2b8e h LEU 412 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2b8e h LEU 412 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2b8e h LEU 412 CO 0.11 0.20 -0.01 -0.33 0.09 0.00 0.00 178.44 178.51 2b8e h GLU 413 N 0.00 0.06 -0.81 1.13 4.39 -1.98 -2.94 114.58 114.44 2b8e h GLU 413 Ca -0.00 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.71 2b8e h GLU 413 Cb 0.55 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.14 2b8e h GLU 413 CO 0.03 0.43 0.51 0.28 -1.16 0.00 0.00 179.01 179.10 2b8e h VAL 414 N -0.31 1.10 -0.79 3.13 2.07 -1.10 -1.56 116.25 118.78 2b8e h VAL 414 Ca 0.01 -0.34 0.18 0.00 0.82 0.00 0.00 66.70 67.37 2b8e h VAL 414 Cb 0.41 0.03 -0.12 0.00 -1.52 0.00 0.00 31.29 30.09 2b8e h VAL 414 CO 0.00 0.18 0.20 0.00 0.02 0.00 0.00 177.57 177.98 2b8e h ALA 415 N 1.35 1.07 -0.45 1.67 0.00 -1.30 0.64 119.26 122.24 2b8e h ALA 415 Ca 0.33 0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.56 2b8e h ALA 415 Cb 0.05 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2b8e h ALA 415 CO -0.13 -0.37 0.36 1.05 0.00 0.00 0.00 179.25 180.17 2b8e h GLU 416 N 0.26 0.00 -0.01 0.00 9.09 -1.11 -1.40 114.58 121.42 2b8e h GLU 416 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.87 2b8e h GLU 416 Cb 0.84 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.94 2b8e h GLU 416 CO -0.56 0.00 -0.41 0.36 0.05 0.00 0.00 179.01 178.46 2b8e n LYS 417 N -4.17 0.98 -1.76 1.06 0.00 0.22 -4.97 118.16 109.51 2b8e n LYS 417 Ca 0.08 -0.72 -0.42 0.00 -0.00 0.00 0.00 58.31 57.25 2b8e n LYS 417 Cb 0.56 -1.49 -0.03 0.00 -0.00 0.00 0.00 35.03 34.08 2b8e n LYS 417 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2b8e s VAL 418 N -2.52 2.10 -0.10 0.58 1.01 -0.53 -4.58 120.40 116.36 2b8e s VAL 418 Ca 0.20 0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.32 2b8e s VAL 418 Cb 0.18 -3.05 -0.10 0.00 0.00 0.00 0.00 36.38 33.42 2b8e s VAL 418 CO 0.56 0.01 0.19 0.35 0.00 0.00 0.00 175.10 176.21 2b8e n THR 419 N 3.76 0.00 -3.74 3.92 -2.24 -0.60 -4.95 114.28 110.42 2b8e n THR 419 Ca 0.15 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.59 2b8e n THR 419 Cb 0.36 0.53 -0.13 0.00 -2.10 0.00 0.00 70.33 68.99 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 -2.24 -0.60 -0.20 6.98 0.00 -0.87 -1.22 121.76 123.61 2b8e s ALA 420 Ca -0.01 0.94 -0.03 0.00 0.00 0.00 0.00 51.96 52.85 2b8e s ALA 420 Cb 0.05 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 2b8e s ALA 420 CO 0.29 -0.18 -0.05 0.08 0.00 0.00 0.00 175.76 175.90 2b8e s VAL 421 N 0.93 3.45 -0.16 0.00 1.01 -0.11 -0.81 120.40 124.70 2b8e s VAL 421 Ca -0.07 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 2b8e s VAL 421 Cb -0.08 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 2b8e s VAL 421 CO -0.06 0.45 -0.10 -0.63 0.00 0.00 0.00 175.10 174.76 2b8e s ILE 422 N 1.12 3.20 -0.15 2.22 -1.09 0.63 -0.52 121.20 126.61 2b8e s ILE 422 Ca 0.02 -0.59 -0.09 0.00 -2.23 0.00 0.00 60.65 57.76 2b8e s ILE 422 Cb -0.15 -2.39 -0.05 0.00 -1.58 0.00 0.00 42.46 38.30 2b8e s ILE 422 CO -0.01 0.49 0.16 -0.36 -1.23 0.00 0.00 174.94 174.00 2b8e s PHE 423 N 0.76 3.52 0.06 3.97 0.08 -0.73 0.37 117.98 126.01 2b8e s PHE 423 Ca -0.04 0.48 -0.30 0.00 0.12 0.00 0.00 56.93 57.19 2b8e s PHE 423 Cb -0.15 -2.08 -0.05 0.00 -0.57 0.00 0.00 43.02 40.18 2b8e s PHE 423 CO 0.02 0.52 1.04 0.34 -0.10 0.00 0.00 175.22 177.03 2b8e s ASP 424 N -0.37 7.32 0.04 1.36 3.68 0.10 -1.80 116.67 127.00 2b8e s ASP 424 Ca 0.13 1.82 -0.23 0.00 2.13 0.00 0.00 52.55 56.40 2b8e s ASP 424 Cb -0.12 -2.58 -0.13 0.00 -1.45 0.00 0.00 42.92 38.65 2b8e s ASP 424 CO 0.02 -0.26 1.34 0.50 0.13 0.00 0.00 175.17 176.91 2b8e h LYS 425 N 6.31 -0.78 -6.41 4.34 3.64 -1.61 -3.27 116.57 118.79 2b8e h LYS 425 Ca -0.42 0.05 -0.54 0.00 -1.27 0.00 0.00 60.65 58.47 2b8e h LYS 425 Cb 1.22 0.18 0.01 0.00 -0.41 0.00 0.00 32.23 33.22 2b8e h LYS 425 CO 0.75 -0.52 0.84 0.99 -2.27 0.00 0.00 179.45 179.24 2b8e s THR 426 N -4.79 3.55 0.00 1.00 2.01 -1.26 -0.96 115.64 115.19 2b8e s THR 426 Ca -0.12 0.98 0.00 0.00 0.31 0.00 0.00 61.69 62.86 2b8e s THR 426 Cb 0.01 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.89 2b8e s THR 426 CO 0.36 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.91 2b8e n GLY 427 N 3.67 2.76 0.35 4.40 0.00 -1.19 -4.70 105.19 110.47 2b8e n GLY 427 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 2b8e n GLY 427 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2b8e n THR 428 N -2.00 0.28 -0.06 2.61 -1.04 -1.18 -4.75 114.28 108.14 2b8e n THR 428 Ca 0.00 -0.09 -0.02 0.00 -2.04 0.00 0.00 64.05 61.90 2b8e n THR 428 Cb 0.00 -1.03 -0.16 0.00 -1.82 0.00 0.00 70.33 67.33 2b8e n THR 428 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2b8e n LEU 429 N -2.87 0.08 -4.73 -4.42 4.77 -0.13 -4.91 117.00 104.79 2b8e n LEU 429 Ca -0.09 0.04 -0.29 0.00 -0.03 0.00 0.00 56.01 55.64 2b8e n LEU 429 Cb 0.58 0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 41.90 2b8e n LEU 429 CO 0.03 0.30 -0.29 0.42 -1.33 0.00 0.00 177.39 176.52 2b8e s THR 430 N -2.87 4.18 -0.01 -5.08 -4.23 -0.96 -0.11 115.64 106.57 2b8e s THR 430 Ca -0.09 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 2b8e s THR 430 Cb 0.09 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.88 2b8e s THR 430 CO 0.86 0.04 0.85 2.29 -0.54 0.00 0.00 174.62 178.11 2b8e n LYS 431 N 0.24 0.85 -0.36 3.99 0.00 -0.73 -3.20 118.16 118.95 2b8e n LYS 431 Ca -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.21 2b8e n LYS 431 Cb 0.53 -1.08 -0.00 0.00 -0.00 0.00 0.00 35.03 34.48 2b8e n LYS 431 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2b8e n GLY 432 N 0.57 0.05 3.14 2.58 0.00 -1.26 -4.87 105.19 105.41 2b8e n GLY 432 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.74 3.28 0.18 1.61 -2.85 -1.26 -4.99 119.74 114.97 2b8e s LYS 433 Ca 0.00 -3.11 -0.31 0.00 -1.00 0.00 0.00 55.97 51.56 2b8e s LYS 433 Cb 0.00 -4.01 -0.09 0.00 -2.06 0.00 0.00 37.83 31.67 2b8e s LYS 433 CO 0.00 -1.25 1.40 -1.25 0.10 0.00 0.00 175.35 174.35 2b8e s PRO 434 N -1.04 4.32 0.02 1.78 0.04 -1.26 -4.61 135.00 134.24 2b8e s PRO 434 Ca 0.26 2.15 0.04 0.00 0.04 0.00 0.00 61.00 63.49 2b8e s PRO 434 Cb -0.10 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 2b8e s PRO 434 CO -0.10 -0.39 -0.12 -1.21 0.04 0.00 0.00 177.00 175.21 2b8e s GLU 435 N 0.38 0.90 0.17 4.56 2.02 -0.50 -4.36 118.70 121.86 2b8e s GLU 435 Ca 0.61 -0.59 -0.31 0.00 0.02 0.00 0.00 54.97 54.70 2b8e s GLU 435 Cb -0.39 -0.88 -0.10 0.00 0.10 0.00 0.00 34.13 32.87 2b8e s GLU 435 CO 0.36 0.23 1.54 0.08 0.02 0.00 0.00 175.26 177.49 2b8e s VAL 436 N -0.60 2.67 -0.09 2.63 1.01 -1.26 -1.52 120.40 123.24 2b8e s VAL 436 Ca 0.02 0.49 0.06 0.00 0.00 0.00 0.00 61.98 62.55 2b8e s VAL 436 Cb -0.06 -3.31 -0.08 0.00 0.00 0.00 0.00 36.38 32.92 2b8e s VAL 436 CO 0.00 0.04 0.16 0.35 0.00 0.00 0.00 175.10 175.66 2b8e n THR 437 N 3.81 0.00 -3.72 3.92 -2.24 0.13 -4.91 114.28 111.27 2b8e n THR 437 Ca 0.13 -0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.59 2b8e n THR 437 Cb 0.39 0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 69.07 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 -2.34 -0.46 -0.18 3.42 1.01 -1.14 -4.98 116.67 112.00 2b8e s ASP 438 Ca -0.01 0.85 -0.00 0.00 0.71 0.00 0.00 52.55 54.10 2b8e s ASP 438 Cb 0.04 0.80 0.01 0.00 1.01 0.00 0.00 42.92 44.78 2b8e s ASP 438 CO 0.24 -0.16 -0.15 -0.76 0.21 0.00 0.00 175.17 174.55 2b8e s LEU 439 N 0.74 2.40 -0.61 1.23 1.43 -1.26 -1.34 118.68 121.26 2b8e s LEU 439 Ca -0.04 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.57 2b8e s LEU 439 Cb -0.05 -1.56 0.19 0.00 0.03 0.00 0.00 46.19 44.80 2b8e s LEU 439 CO -0.05 0.03 0.51 0.52 0.23 0.00 0.00 176.35 177.58 2b8e n VAL 440 N 4.44 0.99 -2.16 -1.59 0.31 -0.07 -5.01 118.33 115.25 2b8e n VAL 440 Ca -0.20 -4.56 -0.40 0.00 -0.01 0.00 0.00 64.34 59.17 2b8e n VAL 440 Cb 0.51 -2.04 -0.02 0.00 -0.91 0.00 0.00 33.84 31.38 2b8e n VAL 440 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2b8e s PRO 441 N -1.30 4.16 -0.01 5.55 0.04 -1.26 -1.53 135.00 140.65 2b8e s PRO 441 Ca 0.30 2.08 0.09 0.00 0.04 0.00 0.00 61.00 63.50 2b8e s PRO 441 Cb 0.02 -2.87 -0.11 0.00 0.04 0.00 0.00 34.50 31.58 2b8e s PRO 441 CO -0.15 -0.30 0.28 1.28 0.04 0.00 0.00 177.00 178.15 2b8e n LEU 442 N 0.41 0.22 -1.77 -3.56 4.77 0.22 -4.45 117.00 112.84 2b8e n LEU 442 Ca 0.02 -0.27 -0.08 0.00 -0.03 0.00 0.00 56.01 55.66 2b8e n LEU 442 Cb 0.44 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.78 2b8e n LEU 442 CO 0.56 0.05 0.99 0.59 -1.33 0.00 0.00 177.39 178.25 2b8e n ASN 443 N -1.48 4.08 -0.09 -1.43 3.02 -1.21 -4.92 115.26 113.23 2b8e n ASN 443 Ca 0.00 -3.38 -0.01 0.00 -0.03 0.00 0.00 54.58 51.16 2b8e n ASN 443 Cb 0.18 -0.72 -0.00 0.00 -0.61 0.00 0.00 39.78 38.62 2b8e n ASN 443 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2b8e n GLY 444 N -0.58 0.17 2.70 7.41 0.00 -1.26 -4.93 105.19 108.69 2b8e n GLY 444 Ca 0.41 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.05 3.75 0.11 1.61 3.68 -1.26 -5.00 116.67 117.51 2b8e s ASP 445 Ca 0.00 -2.15 -0.21 0.00 2.13 0.00 0.00 52.55 52.32 2b8e s ASP 445 Cb 0.00 -0.90 -0.10 0.00 -1.45 0.00 0.00 42.92 40.47 2b8e s ASP 445 CO 0.00 -0.34 1.76 -0.08 0.13 0.00 0.00 175.17 176.64 2b8e h GLU 446 N 7.35 0.14 -0.92 4.34 4.81 -1.93 -2.50 114.58 125.86 2b8e h GLU 446 Ca -0.06 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.25 2b8e h GLU 446 Cb 0.97 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.25 2b8e h GLU 446 CO 0.45 0.09 0.57 -0.09 -0.73 0.00 0.00 179.01 179.31 2b8e h ARG 447 N 0.14 0.97 -0.44 1.92 2.43 -1.99 -0.47 114.38 116.95 2b8e h ARG 447 Ca 0.04 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 2b8e h ARG 447 Cb -0.01 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 2b8e h ARG 447 CO -0.02 0.64 -0.17 1.49 -1.51 0.00 0.00 179.97 180.40 2b8e h GLU 448 N 1.00 0.83 0.44 0.20 4.57 -1.96 0.11 114.58 119.77 2b8e h GLU 448 Ca 0.42 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 2b8e h GLU 448 Cb 0.28 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2b8e h GLU 448 CO -0.21 0.94 -0.38 1.25 -1.18 0.00 0.00 179.01 179.43 2b8e h LEU 449 N 0.74 -1.01 -1.90 1.64 5.85 -0.69 -2.08 115.31 117.85 2b8e h LEU 449 Ca 0.11 0.07 0.10 0.00 0.84 0.00 0.00 57.88 59.01 2b8e h LEU 449 Cb 0.68 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 2b8e h LEU 449 CO 0.05 -0.52 0.30 0.25 -0.34 0.00 0.00 178.44 178.18 2b8e h LEU 450 N -0.80 0.10 -0.03 2.25 5.85 -1.03 -2.82 115.31 118.83 2b8e h LEU 450 Ca -0.06 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.52 2b8e h LEU 450 Cb 0.68 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.70 2b8e h LEU 450 CO -0.01 0.06 -0.54 -0.09 -0.34 0.00 0.00 178.44 177.52 2b8e h ARG 451 N 0.11 0.41 -0.43 1.25 2.43 -0.61 -2.22 114.38 115.32 2b8e h ARG 451 Ca 0.20 -0.41 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 2b8e h ARG 451 Cb 0.64 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 2b8e h ARG 451 CO -0.02 1.07 0.21 -0.07 -1.51 0.00 0.00 179.97 179.64 2b8e h LEU 452 N -0.08 0.56 -0.46 3.80 3.38 -1.30 -2.28 115.31 118.93 2b8e h LEU 452 Ca -0.06 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2b8e h LEU 452 Cb 1.23 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2b8e h LEU 452 CO 0.11 0.53 0.29 0.00 0.09 0.00 0.00 178.44 179.46 2b8e h ALA 453 N 1.05 0.58 -0.40 1.53 0.00 -1.56 -2.05 119.26 118.42 2b8e h ALA 453 Ca 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2b8e h ALA 453 Cb 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2b8e h ALA 453 CO -0.02 0.05 0.16 0.00 0.00 0.00 0.00 179.25 179.45 2b8e h ALA 454 N 1.15 1.54 0.75 0.00 0.00 -1.27 -1.83 119.26 119.60 2b8e h ALA 454 Ca 0.17 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2b8e h ALA 454 Cb -0.04 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.59 2b8e h ALA 454 CO -0.03 0.36 -0.36 0.82 0.00 0.00 0.00 179.25 180.04 2b8e h ILE 455 N 0.57 0.25 0.00 0.00 2.04 -0.79 -1.56 117.51 118.02 2b8e h ILE 455 Ca 0.14 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 2b8e h ILE 455 Cb 0.11 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2b8e h ILE 455 CO -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 178.12 2b8e h ALA 456 N -0.79 1.19 -0.51 1.87 0.00 -1.25 -2.08 119.26 117.69 2b8e h ALA 456 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2b8e h ALA 456 Cb 0.78 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2b8e h ALA 456 CO 0.17 0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.83 2b8e n GLU 457 N -3.37 3.62 -0.01 0.00 -0.58 -0.71 -4.56 120.64 115.04 2b8e n GLU 457 Ca -0.03 -2.81 -0.18 0.00 -0.42 0.00 0.00 57.16 53.73 2b8e n GLU 457 Cb 0.11 -1.85 -0.09 0.00 -0.57 0.00 0.00 31.44 29.04 2b8e n GLU 457 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2b8e h ARG 458 N 3.30 0.67 -1.11 3.49 -0.00 -0.55 -3.32 114.38 116.87 2b8e h ARG 458 Ca 0.00 -0.60 -0.69 0.00 -0.50 0.00 0.00 59.98 58.19 2b8e h ARG 458 Cb 1.43 0.14 -0.29 0.00 0.00 0.00 0.00 29.97 31.25 2b8e h ARG 458 CO 0.23 1.21 0.86 0.54 0.00 0.00 0.00 179.97 182.82 2b8e n ARG 459 N -4.02 2.72 -4.33 0.04 1.74 -1.26 -4.90 116.66 106.64 2b8e n ARG 459 Ca -0.09 -3.34 -0.20 0.00 -0.77 0.00 0.00 57.85 53.45 2b8e n ARG 459 Cb 0.74 -2.29 -0.16 0.00 -1.02 0.00 0.00 32.46 29.73 2b8e n ARG 459 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2b8e s SER 460 N -1.78 1.15 0.14 0.55 0.01 -1.25 -5.05 113.70 107.46 2b8e s SER 460 Ca 0.63 -0.18 0.25 0.00 1.31 0.00 0.00 55.95 57.97 2b8e s SER 460 Cb 0.50 -0.41 0.57 0.00 0.21 0.00 0.00 66.02 66.89 2b8e s SER 460 CO -0.06 0.02 1.53 -1.84 0.41 0.00 0.00 173.24 173.30 2b8e n GLU 461 N 3.58 0.25 -1.61 12.44 0.00 -1.26 -4.65 120.64 129.39 2b8e n GLU 461 Ca -0.21 0.12 -0.40 0.00 0.00 0.00 0.00 57.16 56.67 2b8e n GLU 461 Cb 0.53 -1.71 0.02 0.00 0.00 0.00 0.00 31.44 30.29 2b8e n GLU 461 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2b8e n HIS 462 N -2.09 1.00 -0.29 -1.84 8.25 -1.26 -4.79 115.22 114.20 2b8e n HIS 462 Ca 0.04 0.51 0.02 0.00 -0.26 0.00 0.00 57.72 58.03 2b8e n HIS 462 Cb 0.42 -2.19 0.15 0.00 1.12 0.00 0.00 29.99 29.49 2b8e n HIS 462 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2b8e h PRO 463 N 1.19 0.83 -0.93 -0.41 0.13 -1.99 -2.24 132.00 128.59 2b8e h PRO 463 Ca -0.46 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2b8e h PRO 463 Cb 1.35 -0.19 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 2b8e h PRO 463 CO 0.55 0.55 0.56 0.97 -0.23 0.00 0.00 178.00 180.39 2b8e h ILE 464 N 0.85 1.25 -0.53 -3.56 -0.00 -1.94 -1.38 117.51 112.21 2b8e h ILE 464 Ca 0.38 -0.56 -0.04 0.00 -0.00 0.00 0.00 64.86 64.64 2b8e h ILE 464 Cb 0.28 -0.05 -0.02 0.00 -0.00 0.00 0.00 36.82 37.03 2b8e h ILE 464 CO -0.21 0.27 0.18 0.00 -0.00 0.00 0.00 178.15 178.38 2b8e h ALA 465 N 1.30 0.69 -0.20 0.18 0.00 -1.77 -2.39 119.26 117.08 2b8e h ALA 465 Ca 0.33 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2b8e h ALA 465 Cb -0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2b8e h ALA 465 CO -0.06 0.34 0.06 1.05 0.00 0.00 0.00 179.25 180.64 2b8e h GLU 466 N 0.72 0.15 -0.23 0.00 9.09 -0.83 -2.19 114.58 121.29 2b8e h GLU 466 Ca 0.17 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.58 2b8e h GLU 466 Cb 0.26 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.31 2b8e h GLU 466 CO -0.01 0.10 0.15 0.00 0.05 0.00 0.00 179.01 179.30 2b8e h ALA 467 N 1.13 1.85 -0.19 1.06 0.00 -1.10 -1.53 119.26 120.47 2b8e h ALA 467 Ca 0.09 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2b8e h ALA 467 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2b8e h ALA 467 CO -0.10 0.14 -0.43 0.82 0.00 0.00 0.00 179.25 179.68 2b8e h ILE 468 N 0.30 1.33 -0.55 0.00 2.04 -0.91 -2.39 117.51 117.33 2b8e h ILE 468 Ca 0.08 -1.66 -0.06 0.00 1.00 0.00 0.00 64.86 64.22 2b8e h ILE 468 Cb -0.02 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 2b8e h ILE 468 CO -0.02 0.52 0.09 0.58 0.00 0.00 0.00 178.15 179.32 2b8e h VAL 469 N 0.31 1.25 -0.14 1.67 2.07 -1.05 -2.80 116.25 117.57 2b8e h VAL 469 Ca 0.00 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 2b8e h VAL 469 Cb 1.03 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2b8e h VAL 469 CO 0.09 0.35 0.03 0.11 0.02 0.00 0.00 177.57 178.18 2b8e h LYS 470 N 0.80 0.19 -0.03 1.57 6.56 -1.23 -1.92 116.57 122.50 2b8e h LYS 470 Ca 0.17 -0.02 -0.21 0.00 -1.06 0.00 0.00 60.65 59.53 2b8e h LYS 470 Cb 0.41 -0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.03 2b8e h LYS 470 CO 0.01 0.18 -0.85 -0.22 -2.06 0.00 0.00 179.45 176.50 2b8e h LYS 471 N 0.19 0.39 -0.16 3.15 1.63 -1.25 -2.76 116.57 117.76 2b8e h LYS 471 Ca 0.05 -0.38 0.04 0.00 -0.85 0.00 0.00 60.65 59.51 2b8e h LYS 471 Cb 0.08 0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.76 2b8e h LYS 471 CO -0.00 1.04 -0.11 0.00 -3.45 0.00 0.00 179.45 176.93 2b8e h ALA 472 N 0.83 0.01 -0.74 5.00 0.00 -1.10 -1.63 119.26 121.64 2b8e h ALA 472 Ca -0.06 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2b8e h ALA 472 Cb 1.46 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 2b8e h ALA 472 CO 0.15 -0.55 0.26 -0.07 0.00 0.00 0.00 179.25 179.03 2b8e h LEU 473 N -0.12 1.05 0.00 0.00 4.07 -1.53 0.25 115.31 119.03 2b8e h LEU 473 Ca 0.10 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.86 2b8e h LEU 473 Cb 0.26 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.73 2b8e h LEU 473 CO -0.23 0.96 0.00 -0.62 -1.08 0.00 0.00 178.44 177.47 2b8e n GLU 474 N -4.30 0.03 -0.18 1.13 1.02 -0.89 0.13 120.64 117.58 2b8e n GLU 474 Ca 0.06 0.34 0.05 0.00 -0.02 0.00 0.00 57.16 57.59 2b8e n GLU 474 Cb 0.21 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.27 2b8e n GLU 474 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2b8e n HIS 475 N -1.42 0.40 -4.00 -0.32 8.25 0.75 -4.99 115.22 113.90 2b8e n HIS 475 Ca 0.02 -0.65 -0.30 0.00 -0.26 0.00 0.00 57.72 56.54 2b8e n HIS 475 Cb 0.06 -0.11 -0.00 0.00 1.12 0.00 0.00 29.99 31.05 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 -0.20 -0.37 3.83 -1.41 0.00 0.34 -4.95 105.19 102.43 2b8e n GLY 476 Ca 0.12 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.54 5.33 0.06 -0.61 1.01 -0.49 -4.98 121.20 117.97 2b8e s ILE 477 Ca 0.41 0.44 -0.26 0.00 0.00 0.00 0.00 60.65 61.24 2b8e s ILE 477 Cb -0.21 -3.53 -0.06 0.00 0.01 0.00 0.00 42.46 38.67 2b8e s ILE 477 CO 0.88 0.56 0.79 -1.83 0.00 0.00 0.00 174.94 175.34 2b8e s GLU 478 N -0.70 4.53 -0.21 2.79 1.03 -1.26 -4.50 118.70 120.37 2b8e s GLU 478 Ca 0.17 1.12 -0.07 0.00 0.03 0.00 0.00 54.97 56.22 2b8e s GLU 478 Cb -0.13 -3.36 -0.03 0.00 -0.80 0.00 0.00 34.13 29.80 2b8e s GLU 478 CO 0.06 0.29 0.05 -0.51 -1.33 0.00 0.00 175.26 173.82 2b8e s LEU 479 N -0.10 3.56 0.90 1.83 1.43 -1.26 -5.06 118.68 119.99 2b8e s LEU 479 Ca 0.39 -0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 53.28 2b8e s LEU 479 Cb -0.21 -1.92 0.14 0.00 0.03 0.00 0.00 46.19 44.23 2b8e s LEU 479 CO 0.24 0.08 1.21 -0.83 0.23 0.00 0.00 176.35 177.28 2b8e s GLY 480 N 0.93 1.64 -0.16 -3.19 0.00 -1.26 -5.06 107.32 100.22 2b8e s GLY 480 Ca 0.03 -0.80 -0.01 0.00 0.00 0.00 0.00 44.72 43.95 2b8e s GLY 480 CO 0.03 -0.19 -0.13 1.85 0.00 0.00 0.00 173.10 174.66 2b8e s GLU 481 N -5.59 3.27 0.48 2.90 2.56 -1.26 -4.77 118.70 116.29 2b8e s GLU 481 Ca 0.66 -0.71 -0.20 0.00 0.00 0.00 0.00 54.97 54.72 2b8e s GLU 481 Cb -0.10 -2.70 -0.09 0.00 2.00 0.00 0.00 34.13 33.25 2b8e s GLU 481 CO 0.52 0.00 1.01 -1.25 -0.56 0.00 0.00 175.26 174.98 2b8e s PRO 482 N 0.87 3.90 -0.00 4.30 0.04 -1.26 -5.02 135.00 137.83 2b8e s PRO 482 Ca -0.04 1.23 -0.00 0.00 0.04 0.00 0.00 61.00 62.23 2b8e s PRO 482 Cb -0.15 -2.12 -0.00 0.00 0.04 0.00 0.00 34.50 32.27 2b8e s PRO 482 CO -0.00 -0.33 -0.00 -0.85 0.04 0.00 0.00 177.00 175.86 2b8e n GLU 483 N -1.03 0.01 -2.93 4.56 0.28 -1.26 -4.89 120.64 115.38 2b8e n GLU 483 Ca 0.08 0.09 -0.43 0.00 -0.16 0.00 0.00 57.16 56.74 2b8e n GLU 483 Cb 0.53 -0.60 -0.05 0.00 1.43 0.00 0.00 31.44 32.75 2b8e n GLU 483 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2b8e s LYS 484 N -1.02 3.54 -0.26 3.44 1.02 -1.26 -5.02 119.74 120.17 2b8e s LYS 484 Ca -0.00 0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.07 2b8e s LYS 484 Cb 0.00 -3.90 0.04 0.00 -0.52 0.00 0.00 37.83 33.46 2b8e s LYS 484 CO 0.01 -1.06 -0.07 0.08 -0.92 0.00 0.00 175.35 173.38 2b8e s VAL 485 N 3.34 2.60 -0.37 3.17 1.01 -1.26 -3.02 120.40 125.87 2b8e s VAL 485 Ca 0.32 -1.33 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 2b8e s VAL 485 Cb -0.12 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.86 2b8e s VAL 485 CO 0.22 0.06 0.22 -0.70 0.00 0.00 0.00 175.10 174.89 2b8e s GLU 486 N 1.23 2.88 -0.17 2.72 2.12 0.27 -4.96 118.70 122.79 2b8e s GLU 486 Ca -0.04 -1.05 -0.15 0.00 0.36 0.00 0.00 54.97 54.10 2b8e s GLU 486 Cb -0.18 -3.75 -0.04 0.00 0.26 0.00 0.00 34.13 30.41 2b8e s GLU 486 CO -0.04 -0.69 0.33 0.08 -0.54 0.00 0.00 175.26 174.40 2b8e s VAL 487 N 1.57 5.27 -0.33 3.70 1.01 -1.26 -0.67 120.40 129.70 2b8e s VAL 487 Ca 0.03 0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.65 2b8e s VAL 487 Cb -0.19 -3.67 0.10 0.00 0.00 0.00 0.00 36.38 32.62 2b8e s VAL 487 CO 0.07 0.34 0.04 -0.63 0.00 0.00 0.00 175.10 174.93 2b8e s ILE 488 N 0.74 2.06 0.31 2.22 1.01 -0.08 -5.03 121.20 122.42 2b8e s ILE 488 Ca 0.18 -2.13 -0.28 0.00 0.00 0.00 0.00 60.65 58.42 2b8e s ILE 488 Cb -0.14 -2.49 -0.13 0.00 0.01 0.00 0.00 42.46 39.71 2b8e s ILE 488 CO 0.06 -0.55 1.06 0.00 0.00 0.00 0.00 174.94 175.50 2b8e n ALA 489 N 4.36 0.09 -0.23 9.38 0.00 -1.26 -1.06 120.51 131.78 2b8e n ALA 489 Ca 0.01 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2b8e n ALA 489 Cb 0.42 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 1.13 2.06 1.18 0.00 0.00 -1.26 -4.75 105.19 103.55 2b8e n GLY 490 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.00 0.00 0.00 1.61 1.02 -0.22 -4.93 120.64 116.12 2b8e n GLU 491 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2b8e n GLU 491 Cb 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 31.44 31.22 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 3.18 -0.55 3.26 0.62 0.00 -0.52 -1.67 105.19 109.50 2b8e n GLY 492 Ca 0.00 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 2b8e n GLY 492 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b8e s VAL 493 N -4.00 1.53 -0.28 1.61 1.01 0.15 -0.90 120.40 119.51 2b8e s VAL 493 Ca 0.00 -1.61 -0.00 0.00 0.00 0.00 0.00 61.98 60.37 2b8e s VAL 493 Cb 0.00 -1.51 0.09 0.00 0.00 0.00 0.00 36.38 34.96 2b8e s VAL 493 CO 0.00 -0.22 0.05 -0.69 0.00 0.00 0.00 175.10 174.24 2b8e s VAL 494 N -1.58 1.11 -0.28 2.92 1.01 0.16 -1.09 120.40 122.65 2b8e s VAL 494 Ca 0.07 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 60.72 2b8e s VAL 494 Cb -0.08 -1.71 0.08 0.00 0.00 0.00 0.00 36.38 34.68 2b8e s VAL 494 CO 0.04 -0.47 0.03 0.00 0.00 0.00 0.00 175.10 174.69 2b8e s ALA 495 N 1.53 1.95 -1.59 5.51 0.00 -0.23 0.97 121.76 129.90 2b8e s ALA 495 Ca 0.05 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.34 2b8e s ALA 495 Cb -0.18 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.35 2b8e s ALA 495 CO -0.16 -1.46 0.00 -0.25 0.00 0.00 0.00 175.76 173.88 2b8e n ASP 496 N 4.67 -5.08 0.00 0.00 8.00 -1.17 -2.04 116.55 120.94 2b8e n ASP 496 Ca -0.05 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.58 2b8e n ASP 496 Cb 0.43 -4.14 0.00 0.00 -0.02 0.00 0.00 41.12 37.39 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 -0.97 0.84 3.48 0.44 0.00 -1.26 -4.93 105.19 102.79 2b8e n GLY 497 Ca -0.20 0.00 -0.39 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 -2.00 4.93 -0.13 -0.61 1.01 -0.86 -1.10 121.20 122.43 2b8e s ILE 498 Ca 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 2b8e s ILE 498 Cb 0.00 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 2b8e s ILE 498 CO 0.00 0.04 0.06 -0.76 0.00 0.00 0.00 174.94 174.28 2b8e s LEU 499 N 1.67 3.86 -0.30 2.97 1.02 0.24 -1.07 118.68 127.07 2b8e s LEU 499 Ca 0.05 0.20 -0.02 0.00 0.02 0.00 0.00 54.13 54.38 2b8e s LEU 499 Cb -0.17 -1.93 0.12 0.00 0.02 0.00 0.00 46.19 44.22 2b8e s LEU 499 CO 0.08 0.31 0.19 -0.69 0.02 0.00 0.00 176.35 176.26 2b8e s VAL 500 N -0.43 -0.15 0.00 -1.59 1.01 -0.25 -1.07 120.40 117.92 2b8e s VAL 500 Ca 0.09 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.28 2b8e s VAL 500 Cb -0.12 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.28 2b8e s VAL 500 CO 0.02 -0.68 0.00 0.61 0.00 0.00 0.00 175.10 175.05 2b8e n GLY 501 N 5.10 1.28 3.60 4.51 0.00 -0.90 -0.67 105.19 118.09 2b8e n GLY 501 Ca -0.02 -0.32 -0.23 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 0.98 -0.05 1.61 2.04 -0.67 -0.10 115.26 119.07 2b8e n ASN 502 Ca 0.00 -1.91 0.03 0.00 -0.44 0.00 0.00 54.58 52.25 2b8e n ASN 502 Cb 0.00 -0.68 0.37 0.00 -2.53 0.00 0.00 39.78 36.93 2b8e n ASN 502 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 2b8e h LYS 503 N 0.00 0.64 -0.86 -3.83 3.64 -1.92 -1.40 116.57 112.84 2b8e h LYS 503 Ca -0.33 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 2b8e h LYS 503 Cb 1.13 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.77 2b8e h LYS 503 CO 0.32 0.45 0.51 0.00 -2.27 0.00 0.00 179.45 178.47 2b8e h ARG 504 N 0.65 1.17 -0.83 1.90 3.08 -1.93 -0.97 114.38 117.45 2b8e h ARG 504 Ca 0.17 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2b8e h ARG 504 Cb -0.02 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.79 2b8e h ARG 504 CO -0.03 0.83 0.00 -0.11 -1.07 0.00 0.00 179.97 179.59 2b8e n LEU 505 N -4.41 0.43 0.00 3.04 7.94 -0.53 -1.27 117.00 122.19 2b8e n LEU 505 Ca 0.09 -0.21 0.00 0.00 -1.11 0.00 0.00 56.01 54.78 2b8e n LEU 505 Cb 0.06 -0.12 0.00 0.00 0.53 0.00 0.00 43.42 43.89 2b8e n LEU 505 CO 0.38 0.08 0.00 -1.84 -1.11 0.00 0.00 177.39 174.90 2b8e n GLU 507 N 0.58 0.00 0.02 1.96 -0.00 -0.37 -2.41 120.64 120.42 2b8e n GLU 507 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.17 2b8e n GLU 507 Cb 0.08 0.00 0.07 0.00 -0.00 0.00 0.00 31.44 31.59 2b8e n GLU 507 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2b8e n ASP 508 N 0.00 0.06 -0.15 -1.84 10.43 -0.40 -1.00 116.55 123.65 2b8e n ASP 508 Ca 0.00 0.53 0.02 0.00 2.57 0.00 0.00 54.79 57.91 2b8e n ASP 508 Cb 0.00 -0.54 0.02 0.00 1.84 0.00 0.00 41.12 42.44 2b8e n ASP 508 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 2b8e n PHE 509 N -1.58 0.00 -2.15 1.24 3.72 -1.01 -5.00 117.46 112.67 2b8e n PHE 509 Ca -0.00 -0.01 -0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2b8e n PHE 509 Cb 0.01 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 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 0.20 0.52 3.39 1.37 0.00 -0.17 -5.04 105.19 105.46 2b8e n GLY 510 Ca 0.02 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.30 4.04 0.15 1.61 1.01 -1.26 -5.01 120.40 118.64 2b8e s VAL 511 Ca 0.00 -0.43 -0.31 0.00 0.00 0.00 0.00 61.98 61.24 2b8e s VAL 511 Cb -0.00 -2.96 -0.09 0.00 0.00 0.00 0.00 36.38 33.33 2b8e s VAL 511 CO 0.00 0.24 1.47 0.00 0.00 0.00 0.00 175.10 176.82 2b8e s ALA 512 N 1.55 3.68 -0.47 5.51 0.00 -1.26 -4.02 121.76 126.74 2b8e s ALA 512 Ca 0.05 1.25 -0.17 0.00 0.00 0.00 0.00 51.96 53.09 2b8e s ALA 512 Cb -0.16 -3.58 0.06 0.00 0.00 0.00 0.00 23.12 19.45 2b8e s ALA 512 CO 0.02 -0.69 0.46 0.08 0.00 0.00 0.00 175.76 175.63 2b8e s VAL 513 N 1.03 5.11 1.01 0.00 1.01 -1.26 -4.87 120.40 122.43 2b8e s VAL 513 Ca 0.67 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 2b8e s VAL 513 Cb -0.40 -4.16 0.20 0.00 0.00 0.00 0.00 36.38 32.02 2b8e s VAL 513 CO 0.32 -0.61 1.08 -0.94 0.00 0.00 0.00 175.10 174.94 2b8e s SER 514 N 2.49 2.40 0.22 3.32 1.04 -1.26 -4.79 113.70 117.12 2b8e s SER 514 Ca 0.08 1.49 -0.05 0.00 0.48 0.00 0.00 55.95 57.95 2b8e s SER 514 Cb -0.22 -2.17 0.20 0.00 0.10 0.00 0.00 66.02 63.93 2b8e s SER 514 CO 0.09 -3.31 1.69 0.78 0.98 0.00 0.00 173.24 173.47 2b8e h ASN 515 N -2.01 0.89 0.18 7.02 -0.26 -1.99 -0.96 115.58 118.45 2b8e h ASN 515 Ca -0.54 -0.25 -0.11 0.00 -0.56 0.00 0.00 56.30 54.84 2b8e h ASN 515 Cb 1.31 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 38.32 2b8e h ASN 515 CO 0.53 0.97 -0.42 1.05 -1.06 0.00 0.00 177.43 178.50 2b8e h GLU 516 N 0.84 0.31 -0.23 0.81 4.11 -1.99 -1.13 114.58 117.30 2b8e h GLU 516 Ca 0.15 -0.15 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 2b8e h GLU 516 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2b8e h GLU 516 CO 0.03 0.68 0.02 0.28 0.07 0.00 0.00 179.01 180.09 2b8e h VAL 517 N 0.26 1.24 -0.45 -1.06 2.07 -1.83 -1.42 116.25 115.06 2b8e h VAL 517 Ca 0.02 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.74 2b8e h VAL 517 Cb 0.85 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 2b8e h VAL 517 CO 0.07 0.25 0.28 -0.33 0.02 0.00 0.00 177.57 177.86 2b8e h GLU 518 N 0.18 0.55 0.36 1.57 4.39 -0.94 -0.60 114.58 120.08 2b8e h GLU 518 Ca 0.07 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 2b8e h GLU 518 Cb 0.36 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2b8e h GLU 518 CO 0.01 0.36 -0.17 -0.07 -1.16 0.00 0.00 179.01 177.97 2b8e h LEU 519 N 0.56 -0.41 -0.99 1.33 3.38 -1.15 0.66 115.31 118.69 2b8e h LEU 519 Ca 0.17 -0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.26 2b8e h LEU 519 Cb -0.02 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 2b8e h LEU 519 CO -0.06 -0.23 0.61 0.00 0.09 0.00 0.00 178.44 178.84 2b8e h ALA 520 N 0.05 1.56 0.02 1.53 0.00 -1.11 0.91 119.26 122.23 2b8e h ALA 520 Ca -0.05 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2b8e h ALA 520 Cb 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2b8e h ALA 520 CO 0.08 0.09 -0.01 1.25 0.00 0.00 0.00 179.25 180.66 2b8e h LEU 521 N 0.87 -0.02 -1.34 0.00 6.46 -0.80 -2.49 115.31 118.00 2b8e h LEU 521 Ca 0.53 -0.20 -0.05 0.00 -0.12 0.00 0.00 57.88 58.04 2b8e h LEU 521 Cb 0.67 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 2b8e h LEU 521 CO -0.32 0.19 -0.08 -0.33 -0.62 0.00 0.00 178.44 177.28 2b8e h GLU 522 N -0.23 0.34 -0.03 1.25 5.08 0.16 -2.13 114.58 119.03 2b8e h GLU 522 Ca -0.00 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2b8e h GLU 522 Cb 0.22 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2b8e h GLU 522 CO 0.00 0.44 0.00 -0.22 -1.00 0.00 0.00 179.01 178.24 2b8e h LYS 523 N 0.33 0.05 0.26 2.33 3.64 -0.75 -2.15 116.57 120.28 2b8e h LYS 523 Ca 0.07 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2b8e h LYS 523 Cb 0.36 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2b8e h LYS 523 CO 0.02 0.34 -0.15 -0.07 -2.27 0.00 0.00 179.45 177.31 2b8e h LEU 524 N -0.25 -0.38 -1.38 5.20 3.38 -1.26 -2.44 115.31 118.19 2b8e h LEU 524 Ca 0.01 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.19 2b8e h LEU 524 Cb 0.31 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 2b8e h LEU 524 CO 0.00 -0.25 0.60 -0.33 0.09 0.00 0.00 178.44 178.55 2b8e h GLU 525 N -0.40 0.51 0.00 1.13 5.08 -1.40 1.08 114.58 120.58 2b8e h GLU 525 Ca -0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2b8e h GLU 525 Cb 0.33 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2b8e h GLU 525 CO 0.03 0.34 0.00 0.54 -1.00 0.00 0.00 179.01 178.92 2b8e n ARG 526 N -4.56 0.00 -0.73 2.33 1.74 -0.81 -1.52 116.66 113.11 2b8e n ARG 526 Ca 0.20 0.22 0.03 0.00 -0.77 0.00 0.00 57.85 57.52 2b8e n ARG 526 Cb 0.63 -1.50 0.30 0.00 -1.02 0.00 0.00 32.46 30.87 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 -1.50 3.85 -3.27 5.56 1.02 0.37 -4.80 120.64 121.88 2b8e n GLU 527 Ca 0.04 -2.45 -0.17 0.00 -0.02 0.00 0.00 57.16 54.57 2b8e n GLU 527 Cb 0.19 -2.08 0.06 0.00 -0.02 0.00 0.00 31.44 29.59 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 0.36 -1.10 -2.37 0.62 0.00 -0.58 -5.03 120.51 112.42 2b8e n ALA 528 Ca 0.24 0.23 -0.19 0.00 0.00 0.00 0.00 53.44 53.72 2b8e n ALA 528 Cb 1.03 -3.76 -0.10 0.00 0.00 0.00 0.00 19.45 16.62 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 -5.77 1.37 -0.22 0.00 1.02 -1.19 -4.76 119.74 110.20 2b8e s LYS 529 Ca 0.34 -1.61 -0.09 0.00 0.02 0.00 0.00 55.97 54.64 2b8e s LYS 529 Cb -0.15 -1.22 -0.04 0.00 -0.52 0.00 0.00 37.83 35.90 2b8e s LYS 529 CO 0.55 0.21 0.10 0.99 -0.92 0.00 0.00 175.35 176.28 2b8e s THR 530 N -2.87 4.95 -0.12 2.17 2.01 0.33 -4.11 115.64 117.99 2b8e s THR 530 Ca 0.23 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.29 2b8e s THR 530 Cb -0.02 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.22 2b8e s THR 530 CO 0.08 0.40 -0.22 0.00 -0.69 0.00 0.00 174.62 174.19 2b8e s ALA 531 N 0.84 2.25 0.07 7.40 0.00 -1.26 -0.94 121.76 130.11 2b8e s ALA 531 Ca 0.05 -1.02 0.07 0.00 0.00 0.00 0.00 51.96 51.06 2b8e s ALA 531 Cb -0.13 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 2b8e s ALA 531 CO 0.02 0.14 -0.13 0.14 0.00 0.00 0.00 175.76 175.93 2b8e s VAL 532 N 0.57 3.18 0.00 0.00 -7.23 -0.30 -4.76 120.40 111.86 2b8e s VAL 532 Ca -0.13 -1.20 -0.05 0.00 -1.81 0.00 0.00 61.98 58.79 2b8e s VAL 532 Cb -0.17 -2.43 -0.05 0.00 0.56 0.00 0.00 36.38 34.30 2b8e s VAL 532 CO 0.04 0.22 0.24 -0.63 -0.31 0.00 0.00 175.10 174.66 2b8e s ILE 533 N -1.09 5.34 -0.14 -0.62 1.01 0.85 -1.14 121.20 125.42 2b8e s ILE 533 Ca 0.18 0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.93 2b8e s ILE 533 Cb -0.11 -3.55 0.01 0.00 0.01 0.00 0.00 42.46 38.82 2b8e s ILE 533 CO 0.10 0.36 -0.21 -0.69 0.00 0.00 0.00 174.94 174.50 2b8e s VAL 534 N -1.30 2.14 0.10 2.92 1.01 0.14 -2.12 120.40 123.30 2b8e s VAL 534 Ca 0.27 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2b8e s VAL 534 Cb -0.13 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2b8e s VAL 534 CO 0.16 0.54 -0.08 0.00 0.00 0.00 0.00 175.10 175.73 2b8e s ALA 535 N 0.83 1.04 -0.07 5.51 0.00 -0.24 0.18 121.76 129.01 2b8e s ALA 535 Ca -0.06 -1.29 -0.04 0.00 0.00 0.00 0.00 51.96 50.56 2b8e s ALA 535 Cb -0.15 0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.11 2b8e s ALA 535 CO -0.02 -0.16 0.17 0.50 0.00 0.00 0.00 175.76 176.25 2b8e s ARG 536 N -3.45 0.13 -1.53 0.00 3.52 0.94 -0.59 118.95 117.98 2b8e s ARG 536 Ca 0.10 0.38 -0.07 0.00 -0.13 0.00 0.00 55.73 56.00 2b8e s ARG 536 Cb 0.02 -0.12 0.06 0.00 -1.56 0.00 0.00 34.95 33.35 2b8e s ARG 536 CO -0.03 -0.14 0.52 0.09 -0.81 0.00 0.00 175.30 174.93 2b8e n ASN 537 N 3.98 -1.32 0.00 -2.12 3.02 -0.26 -1.11 115.26 117.45 2b8e n ASN 537 Ca -0.24 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 2b8e n ASN 537 Cb 0.53 -2.83 0.00 0.00 -0.61 0.00 0.00 39.78 36.88 2b8e n ASN 537 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2b8e n GLY 538 N -1.83 1.72 3.37 7.41 0.00 -1.26 -5.02 105.19 109.57 2b8e n GLY 538 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 2b8e n GLY 538 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2b8e s ARG 539 N -0.19 2.60 0.11 1.61 3.52 -0.27 -4.69 118.95 121.63 2b8e s ARG 539 Ca 0.00 -0.79 -0.30 0.00 -0.13 0.00 0.00 55.73 54.50 2b8e s ARG 539 Cb 0.00 -2.30 -0.07 0.00 -1.56 0.00 0.00 34.95 31.02 2b8e s ARG 539 CO 0.00 0.48 1.18 0.08 -0.81 0.00 0.00 175.30 176.23 2b8e s VAL 540 N -0.37 3.90 -0.20 7.11 1.01 -1.26 -0.04 120.40 130.55 2b8e s VAL 540 Ca 0.03 1.46 0.07 0.00 0.00 0.00 0.00 61.98 63.54 2b8e s VAL 540 Cb -0.12 -3.93 -0.21 0.00 0.00 0.00 0.00 36.38 32.11 2b8e s VAL 540 CO 0.02 0.17 0.03 -0.62 0.00 0.00 0.00 175.10 174.69 2b8e n GLU 541 N 3.32 0.68 -3.56 2.72 -0.58 0.48 -4.82 120.64 118.87 2b8e n GLU 541 Ca 0.07 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 2b8e n GLU 541 Cb 0.46 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 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 1.99 -1.04 3.15 0.62 0.00 -1.07 -0.61 105.19 108.22 2b8e n GLY 542 Ca -0.37 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.00 1.17 -0.08 -0.61 1.01 -0.58 0.29 121.20 119.39 2b8e s ILE 543 Ca 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.71 2b8e s ILE 543 Cb 0.00 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.44 2b8e s ILE 543 CO 0.00 0.07 -0.15 -0.63 0.00 0.00 0.00 174.94 174.23 2b8e s ILE 544 N -0.77 1.35 -0.03 2.92 1.01 -0.29 -0.89 121.20 124.50 2b8e s ILE 544 Ca 0.03 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.10 2b8e s ILE 544 Cb -0.08 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 2b8e s ILE 544 CO 0.01 0.40 -0.08 0.00 0.00 0.00 0.00 174.94 175.27 2b8e s ALA 545 N 0.63 2.94 0.03 9.38 0.00 -0.45 -1.15 121.76 133.15 2b8e s ALA 545 Ca -0.15 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 50.86 2b8e s ALA 545 Cb -0.16 -1.12 -0.02 0.00 0.00 0.00 0.00 23.12 21.82 2b8e s ALA 545 CO 0.04 0.59 -0.09 0.08 0.00 0.00 0.00 175.76 176.38 2b8e s VAL 546 N -0.89 0.71 0.05 0.00 1.01 -0.12 0.20 120.40 121.37 2b8e s VAL 546 Ca 0.15 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.24 2b8e s VAL 546 Cb -0.11 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 2b8e s VAL 546 CO 0.04 -0.16 -0.06 -0.55 0.00 0.00 0.00 175.10 174.37 2b8e s SER 547 N -1.17 0.74 -0.34 3.32 0.15 -0.58 -0.51 113.70 115.31 2b8e s SER 547 Ca -0.04 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.89 2b8e s SER 547 Cb -0.08 0.09 0.11 0.00 -1.71 0.00 0.00 66.02 64.43 2b8e s SER 547 CO 0.01 -0.35 0.12 -0.62 1.20 0.00 0.00 173.24 173.59 2b8e s ASP 548 N -2.14 4.04 0.14 5.45 3.68 -1.26 -1.41 116.67 125.16 2b8e s ASP 548 Ca -0.03 -1.87 -0.34 0.00 2.13 0.00 0.00 52.55 52.43 2b8e s ASP 548 Cb -0.03 -0.97 -0.16 0.00 -1.45 0.00 0.00 42.92 40.31 2b8e s ASP 548 CO -0.03 -0.38 1.27 0.41 0.13 0.00 0.00 175.17 176.57 2b8e n THR 549 N 4.55 0.47 -2.02 1.71 -1.04 -1.26 -4.76 114.28 111.93 2b8e n THR 549 Ca 0.01 -0.12 -0.40 0.00 -2.04 0.00 0.00 64.05 61.49 2b8e n THR 549 Cb 0.41 -0.91 -0.01 0.00 -1.82 0.00 0.00 70.33 68.00 2b8e n THR 549 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2b8e s LEU 550 N 0.57 4.34 0.67 -4.42 1.43 -1.26 -1.77 118.68 118.23 2b8e s LEU 550 Ca 0.78 2.77 -0.17 0.00 -1.03 0.00 0.00 54.13 56.48 2b8e s LEU 550 Cb -0.87 -3.73 0.01 0.00 0.03 0.00 0.00 46.19 41.62 2b8e s LEU 550 CO 0.49 -0.72 1.21 -0.54 0.23 0.00 0.00 176.35 177.03 2b8e s LYS 551 N -2.00 2.48 0.46 1.70 1.02 0.84 -4.73 119.74 119.51 2b8e s LYS 551 Ca 0.52 1.80 0.12 0.00 0.02 0.00 0.00 55.97 58.43 2b8e s LYS 551 Cb -0.41 -1.87 1.05 0.00 -0.52 0.00 0.00 37.83 36.08 2b8e s LYS 551 CO 0.54 -1.59 2.08 1.05 -0.92 0.00 0.00 175.35 176.52 2b8e h GLU 552 N 0.19 0.23 0.00 1.68 -0.00 -1.93 -1.87 114.58 112.88 2b8e h GLU 552 Ca -0.49 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 58.85 2b8e h GLU 552 Cb 1.30 -0.05 0.00 0.00 -0.00 0.00 0.00 28.75 30.00 2b8e h GLU 552 CO 0.52 0.18 0.00 -1.13 -0.00 0.00 0.00 179.01 178.58 2b8e n SER 553 N -4.48 0.05 0.22 3.06 3.41 -1.26 -4.21 113.62 110.41 2b8e n SER 553 Ca -0.00 0.51 -0.15 0.00 -0.26 0.00 0.00 58.87 58.97 2b8e n SER 553 Cb 0.10 -0.52 -0.08 0.00 -0.26 0.00 0.00 64.21 63.45 2b8e n SER 553 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b8e h ALA 554 N 2.94 -1.06 -0.10 7.33 0.00 -1.63 -0.94 119.26 125.79 2b8e h ALA 554 Ca 0.00 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2b8e h ALA 554 Cb 0.50 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 2b8e h ALA 554 CO 0.00 -1.10 -0.17 -0.22 0.00 0.00 0.00 179.25 177.76 2b8e h LYS 555 N -0.80 -0.23 -0.46 0.00 1.63 -1.77 -2.14 116.57 112.82 2b8e h LYS 555 Ca -0.05 0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.71 2b8e h LYS 555 Cb 0.70 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.36 2b8e h LYS 555 CO -0.07 -0.15 0.05 -1.00 -3.45 0.00 0.00 179.45 174.83 2b8e h PRO 556 N -0.23 0.72 -0.59 1.90 0.13 -1.77 -2.17 132.00 129.99 2b8e h PRO 556 Ca 0.09 -0.16 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2b8e h PRO 556 Cb 0.36 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.36 2b8e h PRO 556 CO -0.23 0.70 0.36 0.00 -0.23 0.00 0.00 178.00 178.59 2b8e h ALA 557 N 1.37 0.75 -0.35 -0.56 0.00 -0.87 -1.23 119.26 118.36 2b8e h ALA 557 Ca 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2b8e h ALA 557 Cb 0.35 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2b8e h ALA 557 CO 0.01 0.23 0.16 0.28 0.00 0.00 0.00 179.25 179.93 2b8e h VAL 558 N 0.79 1.17 -0.42 0.00 2.07 -1.05 -0.76 116.25 118.06 2b8e h VAL 558 Ca 0.21 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.25 2b8e h VAL 558 Cb -0.02 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2b8e h VAL 558 CO -0.04 0.18 0.27 1.56 0.02 0.00 0.00 177.57 179.56 2b8e h GLN 559 N 0.43 0.53 -0.08 1.57 4.20 -1.18 -0.67 115.11 119.91 2b8e h GLN 559 Ca 0.12 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.81 2b8e h GLN 559 Cb 0.13 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2b8e h GLN 559 CO -0.01 0.35 0.02 1.49 -0.67 0.00 0.00 178.83 180.00 2b8e h GLU 560 N 0.54 0.05 -0.78 1.46 4.57 -1.00 0.19 114.58 119.62 2b8e h GLU 560 Ca 0.16 -0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.42 2b8e h GLU 560 Cb -0.04 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.47 2b8e h GLU 560 CO -0.05 0.03 0.44 -0.07 -1.18 0.00 0.00 179.01 178.19 2b8e h LEU 561 N 0.05 0.64 -0.57 1.64 -0.00 -0.83 -2.28 115.31 113.96 2b8e h LEU 561 Ca 0.03 0.04 -0.08 0.00 -0.00 0.00 0.00 57.88 57.87 2b8e h LEU 561 Cb 0.02 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.58 2b8e h LEU 561 CO -0.04 0.38 0.04 0.11 -0.00 0.00 0.00 178.44 178.93 2b8e h LYS 562 N 0.76 0.98 -2.04 1.13 1.57 -0.54 -0.60 116.57 117.82 2b8e h LYS 562 Ca 0.37 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2b8e h LYS 562 Cb 0.31 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2b8e h LYS 562 CO -0.23 0.96 0.02 -2.13 -0.57 0.00 0.00 179.45 177.50 2b8e n ARG 563 N -4.28 0.13 -0.22 3.15 0.63 0.63 -3.94 116.66 112.76 2b8e n ARG 563 Ca 0.02 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 2b8e n ARG 563 Cb 0.31 -1.45 0.00 0.00 0.45 0.00 0.00 32.46 31.77 2b8e n ARG 563 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2b8e n GLY 565 N 1.99 -0.98 3.86 5.14 0.00 -1.00 -5.10 105.19 109.10 2b8e n GLY 565 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 5.19 -0.02 -0.61 1.01 -0.27 -5.02 121.20 121.48 2b8e s ILE 566 Ca 0.00 0.47 -0.29 0.00 0.00 0.00 0.00 60.65 60.83 2b8e s ILE 566 Cb 0.00 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 2b8e s ILE 566 CO 0.00 0.46 0.97 -0.54 0.00 0.00 0.00 174.94 175.83 2b8e s LYS 567 N -1.44 4.53 -0.11 2.79 1.02 -0.36 -3.79 119.74 122.37 2b8e s LYS 567 Ca 0.25 1.38 -0.03 0.00 0.02 0.00 0.00 55.97 57.59 2b8e s LYS 567 Cb -0.14 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.66 2b8e s LYS 567 CO 0.14 -0.09 -0.01 0.08 -0.92 0.00 0.00 175.35 174.54 2b8e s VAL 568 N 1.18 4.15 0.00 3.17 1.01 -1.26 -0.93 120.40 127.72 2b8e s VAL 568 Ca 0.50 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.19 2b8e s VAL 568 Cb -0.20 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2b8e s VAL 568 CO 0.25 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.52 2b8e n GLY 569 N 2.72 5.46 3.54 4.51 0.00 0.32 -0.48 105.19 121.26 2b8e n GLY 569 Ca -0.18 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.61 2b8e n GLY 569 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b8e s ILE 571 N 1.12 -0.01 0.12 -0.61 1.01 -0.74 -1.77 121.20 120.32 2b8e s ILE 571 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.57 2b8e s ILE 571 Cb 0.00 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.58 2b8e s ILE 571 CO 0.00 0.01 0.26 0.28 0.00 0.00 0.00 174.94 175.49 2b8e s THR 572 N 1.43 0.11 -1.65 2.92 -1.32 -0.41 -1.53 115.64 115.18 2b8e s THR 572 Ca -0.09 -1.13 0.25 0.00 -1.21 0.00 0.00 61.69 59.50 2b8e s THR 572 Cb -0.06 -1.47 0.10 0.00 -1.51 0.00 0.00 72.50 69.57 2b8e s THR 572 CO -0.16 -0.48 1.34 0.61 -2.21 0.00 0.00 174.62 173.72 2b8e n GLY 573 N -0.14 -0.56 3.73 6.08 0.00 -1.25 -1.51 105.19 111.54 2b8e n GLY 573 Ca -0.13 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.62 4.01 0.74 1.61 1.11 -1.26 -4.00 116.67 116.26 2b8e s ASP 574 Ca 0.19 2.09 -0.16 0.00 0.18 0.00 0.00 52.55 54.85 2b8e s ASP 574 Cb 0.18 -2.56 0.02 0.00 1.07 0.00 0.00 42.92 41.64 2b8e s ASP 574 CO 0.60 -2.37 1.02 -0.46 1.18 0.00 0.00 175.17 175.13 2b8e n ASN 575 N -3.40 0.62 -0.31 0.27 0.23 -1.26 -1.18 115.26 110.23 2b8e n ASN 575 Ca 0.11 0.66 -0.01 0.00 -0.53 0.00 0.00 54.58 54.81 2b8e n ASN 575 Cb 0.52 -1.43 0.11 0.00 -2.08 0.00 0.00 39.78 36.90 2b8e n ASN 575 CO 0.00 0.00 0.00 -0.50 -0.93 0.00 0.00 177.26 175.83 2b8e h TRP 576 N -0.34 1.00 -0.54 -2.53 4.06 -1.94 -1.15 115.95 114.52 2b8e h TRP 576 Ca -0.47 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.48 2b8e h TRP 576 Cb 1.33 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 29.13 2b8e h TRP 576 CO 0.41 0.56 0.24 0.00 -3.56 0.00 0.00 178.44 176.09 2b8e h ARG 577 N 1.03 0.79 -0.23 0.49 3.08 -1.90 0.69 114.38 118.32 2b8e h ARG 577 Ca 0.34 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 2b8e h ARG 577 Cb 0.04 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2b8e h ARG 577 CO -0.13 0.67 -0.06 1.03 -1.07 0.00 0.00 179.97 180.41 2b8e h SER 578 N 0.72 0.46 -0.86 7.04 0.87 -1.38 -1.88 113.55 118.51 2b8e h SER 578 Ca 0.18 -0.37 0.10 0.00 -1.23 0.00 0.00 61.79 60.48 2b8e h SER 578 Cb 0.16 -0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 61.92 2b8e h SER 578 CO -0.02 0.72 0.50 0.00 -0.53 0.00 0.00 176.83 177.50 2b8e h ALA 579 N 0.75 1.25 -0.68 6.23 0.00 -1.01 -0.15 119.26 125.64 2b8e h ALA 579 Ca 0.06 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2b8e h ALA 579 Cb 0.52 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2b8e h ALA 579 CO 0.02 0.11 0.12 1.49 0.00 0.00 0.00 179.25 181.00 2b8e h GLU 580 N 0.82 1.12 -0.49 0.00 4.57 -0.66 0.31 114.58 120.26 2b8e h GLU 580 Ca 0.42 -0.29 -0.07 0.00 -1.18 0.00 0.00 59.36 58.24 2b8e h GLU 580 Cb 0.40 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 2b8e h GLU 580 CO -0.26 1.01 0.03 0.00 -1.18 0.00 0.00 179.01 178.62 2b8e h ALA 581 N 1.06 0.66 -0.70 2.92 0.00 -0.49 -1.62 119.26 121.08 2b8e h ALA 581 Ca 0.21 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2b8e h ALA 581 Cb 0.43 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2b8e h ALA 581 CO 0.01 0.44 0.23 0.82 0.00 0.00 0.00 179.25 180.74 2b8e h ILE 582 N 0.71 1.26 -0.92 0.00 1.08 -0.65 -1.72 117.51 117.27 2b8e h ILE 582 Ca 0.14 -0.88 0.04 0.00 -0.39 0.00 0.00 64.86 63.77 2b8e h ILE 582 Cb 0.47 0.50 -0.05 0.00 -3.07 0.00 0.00 36.82 34.66 2b8e h ILE 582 CO 0.02 0.34 0.61 -1.28 -0.69 0.00 0.00 178.15 177.15 2b8e h SER 583 N 1.03 1.00 -0.32 1.72 0.87 0.03 -0.02 113.55 117.86 2b8e h SER 583 Ca 0.23 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.65 2b8e h SER 583 Cb 0.29 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2b8e h SER 583 CO -0.01 0.69 -0.26 0.03 -0.53 0.00 0.00 176.83 176.75 2b8e h ARG 584 N 1.16 0.83 -0.59 2.24 3.08 -0.90 0.37 114.38 120.56 2b8e h ARG 584 Ca 0.37 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2b8e h ARG 584 Cb 0.02 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2b8e h ARG 584 CO -0.11 0.99 0.37 0.93 -1.07 0.00 0.00 179.97 181.08 2b8e h GLU 585 N 0.71 0.80 -0.00 0.04 5.08 -0.31 -2.67 114.58 118.23 2b8e h GLU 585 Ca 0.09 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2b8e h GLU 585 Cb 0.80 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2b8e h GLU 585 CO 0.07 0.57 -0.34 1.28 -1.00 0.00 0.00 179.01 179.59 2b8e n LEU 586 N -4.63 0.56 -3.12 1.33 4.77 -0.14 -4.94 117.00 110.82 2b8e n LEU 586 Ca 0.04 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.83 2b8e n LEU 586 Cb 0.05 -0.24 0.07 0.00 -2.33 0.00 0.00 43.42 40.96 2b8e n LEU 586 CO 0.36 0.12 0.20 -3.20 -1.33 0.00 0.00 177.39 173.54 2b8e n ASN 587 N -1.24 -5.24 -4.76 -1.43 4.05 0.11 -4.77 115.26 101.97 2b8e n ASN 587 Ca 0.08 -0.47 -0.35 0.00 0.45 0.00 0.00 54.58 54.30 2b8e n ASN 587 Cb 0.33 -4.35 0.02 0.00 1.23 0.00 0.00 39.78 37.01 2b8e n ASN 587 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2b8e s LEU 588 N -6.26 3.64 -0.05 1.20 1.02 0.20 -4.98 118.68 113.44 2b8e s LEU 588 Ca 0.43 2.22 0.16 0.00 0.02 0.00 0.00 54.13 56.96 2b8e s LEU 588 Cb -0.19 -4.58 -0.21 0.00 0.02 0.00 0.00 46.19 41.22 2b8e s LEU 588 CO 0.62 -1.45 0.53 0.47 0.02 0.00 0.00 176.35 176.54 2b8e n ASP 589 N -1.64 0.55 -3.89 2.29 10.43 0.37 -4.93 116.55 119.73 2b8e n ASP 589 Ca 0.12 0.25 -0.11 0.00 2.57 0.00 0.00 54.79 57.62 2b8e n ASP 589 Cb 0.51 0.47 -0.13 0.00 1.84 0.00 0.00 41.12 43.81 2b8e n ASP 589 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2b8e s LEU 590 N -5.70 1.97 -0.05 0.64 1.43 -0.92 -4.99 118.68 111.07 2b8e s LEU 590 Ca -0.06 -0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 2b8e s LEU 590 Cb 0.08 0.11 0.03 0.00 0.03 0.00 0.00 46.19 46.44 2b8e s LEU 590 CO 0.83 -0.09 0.05 -0.69 0.23 0.00 0.00 176.35 176.68 2b8e s VAL 591 N -0.37 -0.01 -0.41 -1.59 1.01 -1.26 -4.26 120.40 113.51 2b8e s VAL 591 Ca -0.04 0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.32 2b8e s VAL 591 Cb -0.03 -0.23 0.11 0.00 0.00 0.00 0.00 36.38 36.24 2b8e s VAL 591 CO -0.00 0.19 0.15 -0.63 0.00 0.00 0.00 175.10 174.81 2b8e s ILE 592 N 2.08 2.65 0.60 2.22 1.01 -1.26 -5.04 121.20 123.46 2b8e s ILE 592 Ca 0.04 -2.52 0.09 0.00 0.00 0.00 0.00 60.65 58.26 2b8e s ILE 592 Cb -0.12 -2.88 0.10 0.00 0.01 0.00 0.00 42.46 39.56 2b8e s ILE 592 CO -0.03 -0.68 0.83 0.00 0.00 0.00 0.00 174.94 175.05 2b8e s ALA 593 N 0.65 4.61 -1.69 9.38 0.00 -1.26 -1.29 121.76 132.16 2b8e s ALA 593 Ca 0.12 -2.13 -0.17 0.00 0.00 0.00 0.00 51.96 49.78 2b8e s ALA 593 Cb -0.21 -1.51 0.15 0.00 0.00 0.00 0.00 23.12 21.55 2b8e s ALA 593 CO -0.05 -0.96 0.75 0.39 0.00 0.00 0.00 175.76 175.89 2b8e n GLU 594 N -2.33 -3.06 -3.63 0.00 1.02 -0.33 -4.87 120.64 107.43 2b8e n GLU 594 Ca 0.16 0.36 -0.38 0.00 -0.02 0.00 0.00 57.16 57.28 2b8e n GLU 594 Cb 0.62 -5.03 -0.11 0.00 -0.02 0.00 0.00 31.44 26.89 2b8e n GLU 594 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2b8e s VAL 595 N -3.35 4.93 0.62 2.62 1.01 -0.57 -4.95 120.40 120.73 2b8e s VAL 595 Ca 0.69 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 62.42 2b8e s VAL 595 Cb -0.38 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 2b8e s VAL 595 CO 0.93 0.20 1.12 -0.76 0.00 0.00 0.00 175.10 176.58 2b8e s LEU 596 N 1.69 3.50 0.29 3.92 1.43 -1.26 -3.76 118.68 124.48 2b8e s LEU 596 Ca 0.06 2.06 0.03 0.00 -1.03 0.00 0.00 54.13 55.26 2b8e s LEU 596 Cb -0.16 -4.56 0.66 0.00 0.03 0.00 0.00 46.19 42.16 2b8e s LEU 596 CO 0.08 -1.52 1.76 1.55 0.23 0.00 0.00 176.35 178.46 2b8e h PRO 597 N 0.39 0.66 0.00 1.29 0.13 -1.98 -0.10 132.00 132.39 2b8e h PRO 597 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2b8e h PRO 597 Cb 1.25 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2b8e h PRO 597 CO 0.55 0.44 0.00 0.45 -0.23 0.00 0.00 178.00 179.21 2b8e h HIS 598 N 0.68 0.00 -0.01 1.56 3.86 -1.95 -3.02 115.15 116.28 2b8e h HIS 598 Ca 0.53 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.74 2b8e h HIS 598 Cb 0.82 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.29 2b8e h HIS 598 CO -0.05 0.00 -0.64 0.00 0.86 0.00 0.00 177.93 178.10 2b8e n GLN 599 N -2.94 1.05 -0.19 2.45 10.64 -0.06 -4.51 117.38 123.82 2b8e n GLN 599 Ca -0.02 -0.54 -0.02 0.00 -1.83 0.00 0.00 57.00 54.59 2b8e n GLN 599 Cb 0.13 -1.41 0.08 0.00 -0.86 0.00 0.00 30.24 28.18 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 1.29 0.45 -0.69 2.61 1.57 -1.41 -1.20 116.57 119.18 2b8e h LYS 600 Ca 0.00 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.87 2b8e h LYS 600 Cb 0.59 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.72 2b8e h LYS 600 CO 0.00 0.30 0.27 1.03 -0.57 0.00 0.00 179.45 180.48 2b8e h SER 601 N 0.46 0.27 -0.03 0.86 0.87 -1.79 0.13 113.55 114.33 2b8e h SER 601 Ca 0.27 0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.80 2b8e h SER 601 Cb 0.25 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2b8e h SER 601 CO -0.23 0.14 -0.32 -0.08 -0.53 0.00 0.00 176.83 175.80 2b8e h GLU 602 N 0.45 0.50 -0.34 2.24 4.57 -1.54 -2.18 114.58 118.27 2b8e h GLU 602 Ca 0.36 -0.22 -0.08 0.00 -1.18 0.00 0.00 59.36 58.24 2b8e h GLU 602 Cb 0.48 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 2b8e h GLU 602 CO -0.35 0.76 -0.13 0.93 -1.18 0.00 0.00 179.01 179.05 2b8e h GLU 603 N 0.43 0.59 -0.20 1.92 4.39 -0.05 -2.63 114.58 119.03 2b8e h GLU 603 Ca 0.05 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 2b8e h GLU 603 Cb 0.77 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 2b8e h GLU 603 CO 0.06 0.70 0.05 0.28 -1.16 0.00 0.00 179.01 178.94 2b8e h VAL 604 N 0.54 1.20 -0.76 3.13 2.07 -0.55 -2.63 116.25 119.25 2b8e h VAL 604 Ca 0.10 -0.66 0.09 0.00 0.82 0.00 0.00 66.70 67.05 2b8e h VAL 604 Cb 0.54 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 2b8e h VAL 604 CO 0.03 0.20 0.41 0.50 0.02 0.00 0.00 177.57 178.74 2b8e h LYS 605 N 0.13 0.68 -0.77 1.57 3.64 -1.23 -0.69 116.57 119.91 2b8e h LYS 605 Ca 0.06 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2b8e h LYS 605 Cb 0.27 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 2b8e h LYS 605 CO 0.00 0.45 0.51 0.87 -2.27 0.00 0.00 179.45 179.01 2b8e h LYS 606 N 0.70 0.97 0.00 1.90 1.57 -1.30 -0.58 116.57 119.84 2b8e h LYS 606 Ca 0.37 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 59.01 2b8e h LYS 606 Cb 0.34 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2b8e h LYS 606 CO -0.25 0.64 -0.35 -0.07 -0.57 0.00 0.00 179.45 178.85 2b8e h LEU 607 N 1.00 0.00 0.00 2.94 3.38 -0.80 -2.59 115.31 119.24 2b8e h LEU 607 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2b8e h LEU 607 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2b8e h LEU 607 CO -0.07 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.81 2b8e n GLN 608 N -3.52 0.68 0.05 1.13 6.02 -0.23 -1.79 117.38 119.73 2b8e n GLN 608 Ca -0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 2b8e n GLN 608 Cb 0.49 -1.15 0.19 0.00 1.02 0.00 0.00 30.24 30.80 2b8e n GLN 608 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b8e n ALA 609 N -0.65 3.00 0.00 -1.58 0.00 -0.98 -4.35 120.51 115.96 2b8e n ALA 609 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2b8e n ALA 609 Cb 0.02 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.30 2b8e n ALA 609 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2b8e n LYS 610 N -2.01 3.37 -4.11 0.00 4.76 -0.74 -5.12 118.16 114.32 2b8e n LYS 610 Ca 0.04 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.37 2b8e n LYS 610 Cb 0.42 -0.62 -0.08 0.00 -1.84 0.00 0.00 35.03 32.91 2b8e n LYS 610 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2b8e s GLU 611 N -0.77 1.40 -0.34 1.97 8.01 -0.82 -5.09 118.70 123.06 2b8e s GLU 611 Ca 0.00 -1.47 -0.21 0.00 0.01 0.00 0.00 54.97 53.30 2b8e s GLU 611 Cb 0.00 0.37 0.00 0.00 -4.31 0.00 0.00 34.13 30.19 2b8e s GLU 611 CO 0.00 -0.53 0.66 0.08 0.01 0.00 0.00 175.26 175.48 2b8e s VAL 612 N -4.03 4.87 -0.21 2.63 1.01 -1.26 -4.26 120.40 119.16 2b8e s VAL 612 Ca 0.31 0.71 -0.11 0.00 0.00 0.00 0.00 61.98 62.89 2b8e s VAL 612 Cb 0.03 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 2b8e s VAL 612 CO 0.11 -0.29 0.17 -0.69 0.00 0.00 0.00 175.10 174.40 2b8e s VAL 613 N 2.75 5.37 -0.25 2.92 1.01 -1.26 -1.56 120.40 129.38 2b8e s VAL 613 Ca 0.26 0.25 -0.08 0.00 0.00 0.00 0.00 61.98 62.41 2b8e s VAL 613 Cb -0.14 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2b8e s VAL 613 CO 0.14 0.39 0.10 0.00 0.00 0.00 0.00 175.10 175.73 2b8e s ALA 614 N 0.70 3.27 -0.18 5.51 0.00 0.01 -0.24 121.76 130.82 2b8e s ALA 614 Ca 0.09 -1.08 -0.07 0.00 0.00 0.00 0.00 51.96 50.90 2b8e s ALA 614 Cb -0.12 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 2b8e s ALA 614 CO 0.02 -0.44 0.05 0.12 0.00 0.00 0.00 175.76 175.51 2b8e s PHE 615 N 1.53 3.21 -0.30 0.00 5.36 0.05 -0.27 117.98 127.56 2b8e s PHE 615 Ca 0.06 -0.00 -0.02 0.00 -0.96 0.00 0.00 56.93 56.01 2b8e s PHE 615 Cb -0.15 -2.08 0.05 0.00 -0.34 0.00 0.00 43.02 40.50 2b8e s PHE 615 CO 0.05 0.09 0.01 0.08 -1.46 0.00 0.00 175.22 173.99 2b8e s VAL 616 N 0.47 3.02 0.00 3.12 1.01 0.16 -0.50 120.40 127.67 2b8e s VAL 616 Ca 0.02 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.61 2b8e s VAL 616 Cb -0.13 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2b8e s VAL 616 CO 0.01 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.59 2b8e n GLY 617 N 4.63 5.13 0.57 4.51 0.00 -0.03 0.01 105.19 120.01 2b8e n GLY 617 Ca -0.13 -1.56 0.13 0.00 0.00 0.00 0.00 46.02 44.46 2b8e n GLY 617 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2b8e n ASP 618 N -0.73 1.76 0.00 1.61 5.75 -1.26 -0.34 116.55 123.34 2b8e n ASP 618 Ca 0.00 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.17 2b8e n ASP 618 Cb 0.00 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 2b8e n ASP 618 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2b8e n GLY 619 N 1.20 1.29 0.06 6.12 0.00 -1.26 -4.62 105.19 107.98 2b8e n GLY 619 Ca 0.18 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 2b8e n GLY 619 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2b8e n ILE 620 N 0.00 1.13 1.68 -0.61 2.08 -1.26 -3.71 119.36 118.67 2b8e n ILE 620 Ca 0.00 0.26 0.15 0.00 0.56 0.00 0.00 62.75 63.72 2b8e n ILE 620 Cb 0.00 -2.19 0.68 0.00 -0.75 0.00 0.00 39.64 37.38 2b8e n ILE 620 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2b8e n ASN 621 N -4.08 0.96 -0.88 4.38 5.03 -1.26 -4.07 115.26 115.34 2b8e n ASN 621 Ca -0.07 -1.32 0.03 0.00 0.87 0.00 0.00 54.58 54.08 2b8e n ASN 621 Cb 0.27 -0.00 0.03 0.00 -1.02 0.00 0.00 39.78 39.06 2b8e n ASN 621 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 2b8e n ASP 622 N -0.25 0.68 -0.23 6.41 5.75 -1.26 -4.91 116.55 122.74 2b8e n ASP 622 Ca 0.21 -2.20 0.02 0.00 -0.01 0.00 0.00 54.79 52.81 2b8e n ASP 622 Cb 0.27 -0.28 0.14 0.00 -1.03 0.00 0.00 41.12 40.22 2b8e n ASP 622 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2b8e h ALA 623 N 0.47 0.89 -0.04 2.12 0.00 -1.71 -1.85 119.26 119.13 2b8e h ALA 623 Ca -0.09 0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2b8e h ALA 623 Cb 1.55 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 2b8e h ALA 623 CO 0.04 -0.22 0.03 -1.00 0.00 0.00 0.00 179.25 178.10 2b8e h PRO 624 N 0.39 0.00 -0.26 0.00 0.13 -1.91 -1.42 132.00 128.93 2b8e h PRO 624 Ca 0.36 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.30 2b8e h PRO 624 Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 2b8e h PRO 624 CO -0.37 0.00 -0.56 0.00 -0.23 0.00 0.00 178.00 176.84 2b8e h ALA 625 N 1.97 0.49 -0.50 -0.56 0.00 -1.69 -1.63 119.26 117.34 2b8e h ALA 625 Ca 0.02 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2b8e h ALA 625 Cb 0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2b8e h ALA 625 CO -0.00 0.68 0.20 -0.07 0.00 0.00 0.00 179.25 180.06 2b8e h LEU 626 N 0.63 0.69 -0.60 0.00 4.07 -1.22 -1.36 115.31 117.51 2b8e h LEU 626 Ca 0.01 -0.17 -0.07 0.00 0.08 0.00 0.00 57.88 57.73 2b8e h LEU 626 Cb 1.17 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.70 2b8e h LEU 626 CO 0.12 0.67 0.12 0.00 -1.08 0.00 0.00 178.44 178.27 2b8e h ALA 627 N 1.04 0.80 -0.51 1.53 0.00 -1.33 -3.15 119.26 117.65 2b8e h ALA 627 Ca 0.17 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2b8e h ALA 627 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2b8e h ALA 627 CO -0.01 0.53 0.12 0.37 0.00 0.00 0.00 179.25 180.26 2b8e h GLN 628 N 0.89 0.82 -7.02 0.00 5.75 -1.08 -3.45 115.11 111.02 2b8e h GLN 628 Ca 0.19 -0.20 -0.43 0.00 -0.15 0.00 0.00 58.65 58.06 2b8e h GLN 628 Cb 0.39 -0.11 0.22 0.00 1.07 0.00 0.00 27.48 29.05 2b8e h GLN 628 CO 0.01 0.79 -0.20 0.00 -2.65 0.00 0.00 178.83 176.78 2b8e n ALA 629 N -2.39 -3.44 0.08 3.38 0.00 -0.53 -4.91 120.51 112.71 2b8e n ALA 629 Ca 0.02 -1.32 -0.11 0.00 0.00 0.00 0.00 53.44 52.03 2b8e n ALA 629 Cb 0.23 -1.87 -0.05 0.00 0.00 0.00 0.00 19.45 17.76 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 -2.76 0.33 -3.15 0.00 3.32 -0.91 -3.42 116.42 109.83 2b8e h ASP 630 Ca -0.60 -0.29 -0.45 0.00 0.02 0.00 0.00 57.03 55.71 2b8e h ASP 630 Cb 1.34 -0.10 -0.40 0.00 0.22 0.00 0.00 39.33 40.38 2b8e h ASP 630 CO 0.46 1.12 -0.75 -0.22 -1.72 0.00 0.00 179.24 178.13 2b8e s LEU 631 N -7.39 0.46 -0.25 1.55 2.96 -0.69 -4.96 118.68 110.36 2b8e s LEU 631 Ca -0.03 -0.47 -0.15 0.00 -0.22 0.00 0.00 54.13 53.25 2b8e s LEU 631 Cb 0.09 -0.29 -0.04 0.00 0.50 0.00 0.00 46.19 46.45 2b8e s LEU 631 CO 0.85 -0.31 0.38 -0.83 -1.32 0.00 0.00 176.35 175.11 2b8e s GLY 632 N 2.09 1.95 -0.20 7.98 0.00 -1.24 -0.77 107.32 117.12 2b8e s GLY 632 Ca 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.03 2b8e s GLY 632 CO -0.07 0.91 -0.16 -0.42 0.00 0.00 0.00 173.10 173.36 2b8e s ILE 633 N 1.79 2.29 -0.09 0.90 1.01 0.34 -1.64 121.20 125.80 2b8e s ILE 633 Ca 0.16 -0.97 -0.07 0.00 0.00 0.00 0.00 60.65 59.77 2b8e s ILE 633 Cb -0.15 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 2b8e s ILE 633 CO 0.09 0.44 0.17 0.00 0.00 0.00 0.00 174.94 175.64 2b8e s ALA 634 N 1.30 3.88 0.13 9.38 0.00 -0.10 -0.85 121.76 135.49 2b8e s ALA 634 Ca 0.03 -0.62 0.08 0.00 0.00 0.00 0.00 51.96 51.45 2b8e s ALA 634 Cb -0.14 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 2b8e s ALA 634 CO -0.10 0.63 -0.19 0.08 0.00 0.00 0.00 175.76 176.18 2b8e s VAL 635 N -1.08 1.67 0.00 0.00 1.01 0.54 -1.23 120.40 121.32 2b8e s VAL 635 Ca 0.17 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.46 2b8e s VAL 635 Cb -0.12 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.62 2b8e s VAL 635 CO 0.07 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.57 2b8e n GLY 636 N 0.72 1.33 0.30 4.51 0.00 -0.43 -4.53 105.19 107.09 2b8e n GLY 636 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2b8e n GLY 636 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2b8e n SER 645 N 0.00 0.00 -3.55 1.61 2.88 -1.26 -4.38 113.62 108.93 2b8e n SER 645 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 2b8e n SER 645 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2b8e n SER 645 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2b8e s GLY 646 N -1.48 -0.36 0.14 0.46 0.00 -1.26 -4.89 107.32 99.93 2b8e s GLY 646 Ca 0.00 1.53 -0.24 0.00 0.00 0.00 0.00 44.72 46.01 2b8e s GLY 646 CO 0.00 0.67 1.62 -0.55 0.00 0.00 0.00 173.10 174.84 2b8e h ASP 647 N 2.26 -0.85 -3.67 1.64 3.45 -1.79 -3.40 116.42 114.05 2b8e h ASP 647 Ca -0.19 0.14 -0.66 0.00 0.43 0.00 0.00 57.03 56.75 2b8e h ASP 647 Cb 1.20 0.38 -0.32 0.00 -0.56 0.00 0.00 39.33 40.02 2b8e h ASP 647 CO 0.30 -0.32 -0.87 -0.63 -1.57 0.00 0.00 179.24 176.15 2b8e s ILE 648 N -6.05 1.91 -0.10 0.35 1.01 -0.65 -4.97 121.20 112.70 2b8e s ILE 648 Ca -0.15 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.56 2b8e s ILE 648 Cb 0.11 -1.64 0.01 0.00 0.01 0.00 0.00 42.46 40.95 2b8e s ILE 648 CO 0.67 0.53 -0.16 -0.69 0.00 0.00 0.00 174.94 175.29 2b8e s VAL 649 N 0.13 1.52 -0.20 2.92 1.01 -1.26 -0.92 120.40 123.60 2b8e s VAL 649 Ca -0.11 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 2b8e s VAL 649 Cb -0.15 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.85 2b8e s VAL 649 CO 0.06 0.44 -0.11 -0.76 0.00 0.00 0.00 175.10 174.73 2b8e s LEU 650 N 0.87 2.59 0.43 3.92 1.43 -0.36 -4.98 118.68 122.57 2b8e s LEU 650 Ca -0.09 -0.49 0.19 0.00 -1.03 0.00 0.00 54.13 52.71 2b8e s LEU 650 Cb -0.15 -1.63 0.96 0.00 0.03 0.00 0.00 46.19 45.39 2b8e s LEU 650 CO 0.00 -0.00 1.88 0.16 0.23 0.00 0.00 176.35 178.62 2b8e h ILE 651 N 5.79 0.91 -4.11 -0.59 3.07 -1.86 -2.10 117.51 118.61 2b8e h ILE 651 Ca -0.42 -1.08 -0.50 0.00 1.55 0.00 0.00 64.86 64.41 2b8e h ILE 651 Cb 1.16 1.63 0.05 0.00 -0.27 0.00 0.00 36.82 39.39 2b8e h ILE 651 CO 0.61 0.27 0.32 -0.13 -1.05 0.00 0.00 178.15 178.18 2b8e s ARG 652 N -4.03 3.60 0.00 0.16 0.52 -1.26 -3.85 118.95 114.09 2b8e s ARG 652 Ca -0.02 0.60 0.24 0.00 -0.52 0.00 0.00 55.73 56.03 2b8e s ARG 652 Cb 0.13 -2.17 0.38 0.00 0.52 0.00 0.00 34.95 33.80 2b8e s ARG 652 CO 0.67 -0.44 1.33 -0.40 0.02 0.00 0.00 175.30 176.47 2b8e n ASP 653 N -2.52 1.42 -4.61 0.23 5.75 -1.26 -1.32 116.55 114.25 2b8e n ASP 653 Ca 0.04 -1.13 -0.43 0.00 -0.01 0.00 0.00 54.79 53.26 2b8e n ASP 653 Cb 0.54 0.33 -0.03 0.00 -1.03 0.00 0.00 41.12 40.94 2b8e n ASP 653 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2b8e s ASP 654 N -2.54 6.12 0.17 -1.12 -1.08 -1.26 -4.86 116.67 112.10 2b8e s ASP 654 Ca 0.20 1.32 0.13 0.00 -0.52 0.00 0.00 52.55 53.68 2b8e s ASP 654 Cb 0.19 -2.53 0.67 0.00 -1.46 0.00 0.00 42.92 39.79 2b8e s ASP 654 CO 0.57 -1.52 1.40 0.18 0.52 0.00 0.00 175.17 176.32 2b8e n LEU 655 N 9.45 0.32 0.18 -1.34 4.77 -1.26 -1.29 117.00 127.82 2b8e n LEU 655 Ca 0.20 0.64 0.02 0.00 -0.03 0.00 0.00 56.01 56.84 2b8e n LEU 655 Cb 0.46 -0.66 0.36 0.00 -2.33 0.00 0.00 43.42 41.25 2b8e n LEU 655 CO 0.68 -0.70 0.74 0.03 -1.33 0.00 0.00 177.39 176.81 2b8e h ARG 656 N 0.00 0.03 0.00 3.23 3.08 -1.89 -1.02 114.38 117.81 2b8e h ARG 656 Ca 0.00 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 2b8e h ARG 656 Cb 0.05 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2b8e h ARG 656 CO 0.00 0.38 -0.36 -0.44 -1.07 0.00 0.00 179.97 178.48 2b8e h ASP 657 N 0.03 0.00 -0.17 7.04 3.45 -1.59 0.26 116.42 125.44 2b8e h ASP 657 Ca 0.00 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.36 2b8e h ASP 657 Cb 0.64 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.41 2b8e h ASP 657 CO 0.05 0.36 -0.28 0.58 -1.57 0.00 0.00 179.24 178.37 2b8e h VAL 658 N 0.00 1.35 0.00 -1.35 2.07 -1.34 -1.17 116.25 115.82 2b8e h VAL 658 Ca -0.00 -1.52 -0.04 0.00 0.82 0.00 0.00 66.70 65.96 2b8e h VAL 658 Cb 0.65 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 2b8e h VAL 658 CO 0.05 0.46 -0.19 0.58 0.02 0.00 0.00 177.57 178.48 2b8e h VAL 659 N 0.12 0.86 0.01 2.57 2.07 -1.05 -2.55 116.25 118.27 2b8e h VAL 659 Ca 0.01 -0.74 -0.19 0.00 0.82 0.00 0.00 66.70 66.61 2b8e h VAL 659 Cb 0.87 1.43 0.02 0.00 -1.52 0.00 0.00 31.29 32.08 2b8e h VAL 659 CO 0.06 0.19 -0.73 0.00 0.02 0.00 0.00 177.57 177.11 2b8e h ALA 660 N 1.81 0.08 -0.32 1.67 0.00 -0.73 -2.44 119.26 119.33 2b8e h ALA 660 Ca -0.00 -0.61 0.06 0.00 0.00 0.00 0.00 54.91 54.36 2b8e h ALA 660 Cb 0.42 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2b8e h ALA 660 CO 0.03 0.44 -0.03 0.00 0.00 0.00 0.00 179.25 179.68 2b8e h ALA 661 N 0.33 0.25 -0.57 0.00 0.00 -0.90 -1.68 119.26 116.69 2b8e h ALA 661 Ca -0.09 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2b8e h ALA 661 Cb 1.44 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 2b8e h ALA 661 CO 0.14 -0.43 0.16 0.82 0.00 0.00 0.00 179.25 179.95 2b8e h ILE 662 N 0.05 1.22 0.00 0.00 5.03 -1.53 -3.51 117.51 118.78 2b8e h ILE 662 Ca 0.15 -0.78 0.00 0.00 -0.12 0.00 0.00 64.86 64.11 2b8e h ILE 662 Cb 0.22 0.61 0.00 0.00 -3.03 0.00 0.00 36.82 34.63 2b8e h ILE 662 CO -0.29 0.30 0.00 0.00 -0.68 0.00 0.00 178.15 177.48