#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1e s ALA 400 N 0.00 2.19 0.25 4.61 0.00 -1.26 -5.00 121.76 122.55 3a1e s ALA 400 Ca 0.00 0.82 -0.21 0.00 0.00 0.00 0.00 51.96 52.57 3a1e s ALA 400 Cb 0.00 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 3a1e s ALA 400 CO 0.00 -1.75 0.77 -1.21 0.00 0.00 0.00 175.76 173.57 3a1e s GLU 401 N -3.93 4.31 0.18 0.00 8.01 -1.26 -5.03 118.70 120.99 3a1e s GLU 401 Ca 0.73 0.96 -0.33 0.00 0.01 0.00 0.00 54.97 56.34 3a1e s GLU 401 Cb -0.28 -2.83 -0.15 0.00 -4.31 0.00 0.00 34.13 26.57 3a1e s GLU 401 CO 0.44 0.35 1.35 -0.11 0.01 0.00 0.00 175.26 177.31 3a1e n LEU 402 N 0.62 2.42 -3.52 1.80 7.94 -1.26 -4.70 117.00 120.31 3a1e n LEU 402 Ca -0.01 1.13 -0.20 0.00 -1.11 0.00 0.00 56.01 55.82 3a1e n LEU 402 Cb 0.51 -1.33 -0.14 0.00 0.53 0.00 0.00 43.42 42.99 3a1e n LEU 402 CO 0.43 -0.78 -0.23 -0.83 -1.11 0.00 0.00 177.39 174.87 3a1e s GLY 403 N 0.33 0.08 -0.37 -3.96 0.00 -1.26 -5.03 107.32 97.11 3a1e s GLY 403 Ca 0.74 0.13 -0.04 0.00 0.00 0.00 0.00 44.72 45.55 3a1e s GLY 403 CO 0.48 2.06 0.14 -0.42 0.00 0.00 0.00 173.10 175.36 3a1e s ILE 404 N 2.28 3.44 -0.39 0.90 1.01 -1.26 -1.55 121.20 125.64 3a1e s ILE 404 Ca 0.06 -1.63 -0.19 0.00 0.00 0.00 0.00 60.65 58.89 3a1e s ILE 404 Cb -0.16 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.17 3a1e s ILE 404 CO -0.11 -0.43 0.55 -0.22 0.00 0.00 0.00 174.94 174.73 3a1e s LEU 405 N 1.26 4.46 -0.26 2.97 2.96 0.82 -4.95 118.68 125.95 3a1e s LEU 405 Ca 0.02 -0.20 -0.17 0.00 -0.22 0.00 0.00 54.13 53.56 3a1e s LEU 405 Cb -0.22 -2.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 3a1e s LEU 405 CO -0.01 -0.59 0.47 -0.63 -1.32 0.00 0.00 176.35 174.26 3a1e s ILE 406 N 2.51 5.11 -2.04 6.68 -1.09 -1.26 -0.54 121.20 130.57 3a1e s ILE 406 Ca 0.19 0.78 0.16 0.00 -2.23 0.00 0.00 60.65 59.55 3a1e s ILE 406 Cb -0.15 -3.78 0.13 0.00 -1.58 0.00 0.00 42.46 37.07 3a1e s ILE 406 CO 0.15 0.12 1.02 0.29 -1.23 0.00 0.00 174.94 175.29 3a1e n LYS 407 N 5.40 1.27 -3.72 2.79 5.02 -0.35 -4.93 118.16 123.64 3a1e n LYS 407 Ca -0.06 -1.47 -0.12 0.00 -2.02 0.00 0.00 58.31 54.64 3a1e n LYS 407 Cb 0.50 -1.31 -0.12 0.00 -0.02 0.00 0.00 35.03 34.07 3a1e n LYS 407 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3a1e s ASN 408 N -1.36 -0.33 0.56 4.39 3.84 -1.25 -5.02 114.94 115.78 3a1e s ASN 408 Ca 0.19 0.63 0.25 0.00 0.21 0.00 0.00 52.86 54.14 3a1e s ASN 408 Cb 0.14 0.52 1.55 0.00 -0.55 0.00 0.00 41.25 42.90 3a1e s ASN 408 CO 0.20 -0.17 2.11 0.00 -2.79 0.00 0.00 177.10 176.45 3a1e h ALA 409 N 7.20 1.94 -0.48 1.71 0.00 -1.95 -0.77 119.26 126.91 3a1e h ALA 409 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3a1e h ALA 409 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3a1e h ALA 409 CO 0.35 -0.26 0.00 -0.25 0.00 0.00 0.00 179.25 179.09 3a1e n ASP 410 N -4.07 3.19 -0.37 0.00 8.00 -1.26 -4.57 116.55 117.46 3a1e n ASP 410 Ca 0.02 -1.96 -0.01 0.00 0.71 0.00 0.00 54.79 53.55 3a1e n ASP 410 Cb 0.30 -0.32 0.13 0.00 -0.02 0.00 0.00 41.12 41.21 3a1e n ASP 410 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a1e h ALA 411 N 4.28 1.32 0.06 2.24 0.00 -1.49 -1.68 119.26 123.99 3a1e h ALA 411 Ca 0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 3a1e h ALA 411 Cb 0.85 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3a1e h ALA 411 CO 0.00 0.61 -1.06 -0.07 0.00 0.00 0.00 179.25 178.73 3a1e h LEU 412 N 1.30 0.35 -0.19 0.00 3.38 -1.80 -0.38 115.31 117.97 3a1e h LEU 412 Ca 0.38 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3a1e h LEU 412 Cb -0.08 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3a1e h LEU 412 CO -0.10 1.20 0.06 -0.08 0.09 0.00 0.00 178.44 179.61 3a1e h GLU 413 N 0.10 0.14 -0.43 1.13 4.81 -1.78 -1.98 114.58 116.58 3a1e h GLU 413 Ca -0.09 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 3a1e h GLU 413 Cb 1.75 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 31.08 3a1e h GLU 413 CO 0.17 0.10 0.18 0.28 -0.73 0.00 0.00 179.01 179.01 3a1e h VAL 414 N 0.15 1.20 -0.96 0.32 2.07 -1.32 -3.01 116.25 114.69 3a1e h VAL 414 Ca 0.08 -0.59 0.13 0.00 0.82 0.00 0.00 66.70 67.14 3a1e h VAL 414 Cb 0.06 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 3a1e h VAL 414 CO -0.09 0.22 0.61 0.00 0.02 0.00 0.00 177.57 178.33 3a1e h ALA 415 N 1.03 1.63 0.00 1.67 0.00 -0.84 0.14 119.26 122.89 3a1e h ALA 415 Ca 0.15 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3a1e h ALA 415 Cb 0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3a1e h ALA 415 CO -0.01 0.13 -0.15 1.49 0.00 0.00 0.00 179.25 180.71 3a1e h GLU 416 N 0.89 0.00 0.00 0.00 4.22 -1.23 -2.68 114.58 115.79 3a1e h GLU 416 Ca 0.48 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.92 3a1e h GLU 416 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3a1e h GLU 416 CO -0.24 0.15 -0.48 1.63 -2.18 0.00 0.00 179.01 177.89 3a1e n LYS 417 N -3.62 0.05 -1.71 1.92 5.02 0.47 -4.95 118.16 115.34 3a1e n LYS 417 Ca -0.01 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3a1e n LYS 417 Cb 0.28 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 3a1e n LYS 417 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3a1e n VAL 418 N -1.60 0.07 0.07 -0.18 0.31 -0.98 -4.70 118.33 111.32 3a1e n VAL 418 Ca 0.05 -0.01 0.06 0.00 -0.01 0.00 0.00 64.34 64.43 3a1e n VAL 418 Cb 0.35 -2.01 -0.08 0.00 -0.91 0.00 0.00 33.84 31.19 3a1e n VAL 418 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3a1e n THR 419 N 4.11 0.00 -3.77 2.52 -2.24 0.23 -4.92 114.28 110.21 3a1e n THR 419 Ca 0.16 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 3a1e n THR 419 Cb 0.35 0.36 -0.14 0.00 -2.10 0.00 0.00 70.33 68.80 3a1e n THR 419 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a1e s ALA 420 N -2.66 -0.35 -0.17 6.98 0.00 -0.93 -1.10 121.76 123.52 3a1e s ALA 420 Ca -0.03 0.65 -0.01 0.00 0.00 0.00 0.00 51.96 52.57 3a1e s ALA 420 Cb 0.07 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.77 3a1e s ALA 420 CO 0.46 -0.14 -0.12 0.08 0.00 0.00 0.00 175.76 176.05 3a1e s VAL 421 N 0.83 2.91 -0.21 0.00 1.01 0.38 -1.22 120.40 124.10 3a1e s VAL 421 Ca -0.06 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3a1e s VAL 421 Cb -0.08 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.07 3a1e s VAL 421 CO -0.04 0.49 -0.14 -0.63 0.00 0.00 0.00 175.10 174.78 3a1e s ILE 422 N 0.93 2.38 -0.16 2.22 -1.09 0.42 -0.98 121.20 124.91 3a1e s ILE 422 Ca -0.02 -1.03 -0.15 0.00 -2.23 0.00 0.00 60.65 57.22 3a1e s ILE 422 Cb -0.15 -2.12 -0.04 0.00 -1.58 0.00 0.00 42.46 38.57 3a1e s ILE 422 CO -0.01 0.36 0.36 -0.36 -1.23 0.00 0.00 174.94 174.07 3a1e s PHE 423 N 1.29 3.44 0.17 3.97 0.08 -0.43 -0.46 117.98 126.04 3a1e s PHE 423 Ca 0.02 0.66 -0.31 0.00 0.12 0.00 0.00 56.93 57.42 3a1e s PHE 423 Cb -0.15 -2.44 -0.09 0.00 -0.57 0.00 0.00 43.02 39.77 3a1e s PHE 423 CO -0.09 0.15 1.47 0.34 -0.10 0.00 0.00 175.22 176.99 3a1e s ASP 424 N 0.68 6.69 0.02 1.36 -1.08 0.43 -0.79 116.67 123.98 3a1e s ASP 424 Ca 0.19 2.52 -0.20 0.00 -0.52 0.00 0.00 52.55 54.54 3a1e s ASP 424 Cb -0.14 -2.60 -0.11 0.00 -1.46 0.00 0.00 42.92 38.61 3a1e s ASP 424 CO 0.06 -0.73 1.07 0.50 0.52 0.00 0.00 175.17 176.59 3a1e h LYS 425 N 6.35 -0.70 0.04 4.34 3.64 -1.44 -3.17 116.57 125.63 3a1e h LYS 425 Ca -0.43 0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 58.78 3a1e h LYS 425 Cb 1.21 0.16 0.02 0.00 -0.41 0.00 0.00 32.23 33.21 3a1e h LYS 425 CO 0.86 -0.47 -0.85 1.79 -2.27 0.00 0.00 179.45 178.51 3a1e h THR 426 N -0.89 1.37 -0.26 1.00 1.35 -1.93 0.13 112.91 113.68 3a1e h THR 426 Ca -0.07 -2.24 -0.19 0.00 -0.55 0.00 0.00 66.41 63.36 3a1e h THR 426 Cb 0.56 2.62 -0.07 0.00 -1.73 0.00 0.00 68.15 69.52 3a1e h THR 426 CO 0.12 0.67 0.05 0.61 -0.25 0.00 0.00 175.52 176.72 3a1e n GLY 427 N 1.19 3.26 0.00 5.82 0.00 -1.26 -4.28 105.19 109.92 3a1e n GLY 427 Ca -0.11 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3a1e n GLY 427 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a1e n THR 428 N 1.39 0.00 0.08 2.61 -1.04 -1.15 -2.94 114.28 113.24 3a1e n THR 428 Ca 0.25 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.26 3a1e n THR 428 Cb 0.63 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.11 3a1e n THR 428 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3a1e h LEU 429 N 0.00 0.00-10.00 -4.42 3.38 -0.73 -3.47 115.31 100.07 3a1e h LEU 429 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3a1e h LEU 429 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3a1e h LEU 429 CO 0.00 0.56 -0.47 0.42 0.09 0.00 0.00 178.44 179.04 3a1e s THR 430 N -2.93 3.55 -1.39 0.22 -4.23 -1.02 -0.88 115.64 108.95 3a1e s THR 430 Ca 0.01 -1.42 0.23 0.00 -1.18 0.00 0.00 61.69 59.33 3a1e s THR 430 Cb 0.08 -3.17 0.38 0.00 1.34 0.00 0.00 72.50 71.13 3a1e s THR 430 CO 0.78 -0.19 1.75 0.29 -0.54 0.00 0.00 174.62 176.71 3a1e n LYS 431 N -1.32 0.30 -3.18 3.99 5.02 -0.31 -4.65 118.16 118.01 3a1e n LYS 431 Ca -0.03 0.07 -0.22 0.00 -2.02 0.00 0.00 58.31 56.11 3a1e n LYS 431 Cb 0.60 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.16 3a1e n LYS 431 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1e n GLY 432 N 0.68 -0.51 2.60 0.72 0.00 -1.26 -4.96 105.19 102.46 3a1e n GLY 432 Ca 0.10 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 3a1e n GLY 432 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a1e n LYS 433 N -4.27 2.36 -2.48 1.61 5.02 -1.26 -5.10 118.16 114.05 3a1e n LYS 433 Ca -0.08 -4.35 -0.40 0.00 -2.02 0.00 0.00 58.31 51.46 3a1e n LYS 433 Cb 0.60 -2.03 -0.04 0.00 -0.02 0.00 0.00 35.03 33.54 3a1e n LYS 433 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3a1e s PRO 434 N -2.83 4.64 0.06 1.97 0.04 -1.26 -4.58 135.00 133.03 3a1e s PRO 434 Ca 0.44 1.80 0.02 0.00 0.04 0.00 0.00 61.00 63.30 3a1e s PRO 434 Cb 0.26 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.57 3a1e s PRO 434 CO -0.10 0.21 -0.07 -1.83 0.04 0.00 0.00 177.00 175.25 3a1e s GLU 435 N -1.38 0.63 0.05 4.56 -1.05 -0.38 -4.43 118.70 116.69 3a1e s GLU 435 Ca 0.45 -0.97 -0.31 0.00 -0.15 0.00 0.00 54.97 53.99 3a1e s GLU 435 Cb -0.32 -0.22 -0.06 0.00 -0.44 0.00 0.00 34.13 33.10 3a1e s GLU 435 CO 0.41 0.01 1.25 0.08 0.95 0.00 0.00 175.26 177.96 3a1e s VAL 436 N -2.27 3.93 -0.04 1.83 1.01 -1.26 -1.36 120.40 122.23 3a1e s VAL 436 Ca -0.02 1.36 0.07 0.00 0.00 0.00 0.00 61.98 63.40 3a1e s VAL 436 Cb -0.04 -3.87 -0.11 0.00 0.00 0.00 0.00 36.38 32.36 3a1e s VAL 436 CO -0.02 0.08 0.10 0.35 0.00 0.00 0.00 175.10 175.61 3a1e n THR 437 N 4.08 0.26 -3.79 3.92 -2.24 -0.19 -4.94 114.28 111.38 3a1e n THR 437 Ca 0.10 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 3a1e n THR 437 Cb 0.45 -0.25 -0.13 0.00 -2.10 0.00 0.00 70.33 68.31 3a1e n THR 437 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3a1e s ASP 438 N -3.42 -0.16 -0.22 3.42 1.01 -1.20 -5.00 116.67 111.09 3a1e s ASP 438 Ca -0.03 0.34 0.02 0.00 0.71 0.00 0.00 52.55 53.59 3a1e s ASP 438 Cb 0.04 0.30 0.05 0.00 1.01 0.00 0.00 42.92 44.31 3a1e s ASP 438 CO 0.32 -0.09 -0.12 -0.76 0.21 0.00 0.00 175.17 174.72 3a1e s LEU 439 N 0.50 2.79 -0.64 1.23 1.43 -1.26 -1.71 118.68 121.02 3a1e s LEU 439 Ca -0.03 -1.09 0.05 0.00 -1.03 0.00 0.00 54.13 52.03 3a1e s LEU 439 Cb -0.05 -1.43 0.16 0.00 0.03 0.00 0.00 46.19 44.91 3a1e s LEU 439 CO -0.02 -0.14 0.45 -0.69 0.23 0.00 0.00 176.35 176.17 3a1e s VAL 440 N 1.24 2.49 0.24 -1.59 1.01 -0.41 -4.99 120.40 118.38 3a1e s VAL 440 Ca -0.04 -3.93 -0.30 0.00 0.00 0.00 0.00 61.98 57.71 3a1e s VAL 440 Cb -0.17 -2.65 -0.09 0.00 0.00 0.00 0.00 36.38 33.47 3a1e s VAL 440 CO -0.08 -1.02 1.09 -2.16 0.00 0.00 0.00 175.10 172.94 3a1e s PRO 441 N -1.10 4.63 0.43 2.72 0.04 -1.26 -1.32 135.00 139.13 3a1e s PRO 441 Ca 0.25 1.76 0.29 0.00 0.04 0.00 0.00 61.00 63.34 3a1e s PRO 441 Cb -0.06 -3.22 1.01 0.00 0.04 0.00 0.00 34.50 32.27 3a1e s PRO 441 CO -0.15 0.17 1.83 -0.07 0.04 0.00 0.00 177.00 178.82 3a1e h LEU 442 N 4.30 0.00 0.00 -3.56 3.38 -1.24 -3.09 115.31 115.10 3a1e h LEU 442 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3a1e h LEU 442 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3a1e h LEU 442 CO 0.69 0.00 -1.06 0.59 0.09 0.00 0.00 178.44 178.75 3a1e n ASN 443 N -2.84 0.92 0.00 -0.43 3.02 -1.26 -5.00 115.26 109.68 3a1e n ASN 443 Ca 0.02 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 3a1e n ASN 443 Cb 0.35 1.07 0.00 0.00 -0.61 0.00 0.00 39.78 40.59 3a1e n ASN 443 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a1e n GLY 444 N 1.48 3.03 3.55 7.41 0.00 -1.17 -5.01 105.19 114.48 3a1e n GLY 444 Ca 0.03 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 3a1e n GLY 444 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a1e s ASP 445 N 0.35 5.40 0.14 1.61 3.68 -1.26 -4.82 116.67 121.77 3a1e s ASP 445 Ca 0.00 0.27 -0.09 0.00 2.13 0.00 0.00 52.55 54.86 3a1e s ASP 445 Cb 0.00 -2.53 -0.05 0.00 -1.45 0.00 0.00 42.92 38.89 3a1e s ASP 445 CO 0.00 -2.29 1.41 -0.33 0.13 0.00 0.00 175.17 174.09 3a1e h GLU 446 N 14.29 0.76 -0.04 4.34 5.08 -1.94 -2.99 114.58 134.07 3a1e h GLU 446 Ca -0.26 -0.52 -0.10 0.00 -1.00 0.00 0.00 59.36 57.47 3a1e h GLU 446 Cb 1.15 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3a1e h GLU 446 CO 1.22 1.14 -0.45 -0.09 -1.00 0.00 0.00 179.01 179.84 3a1e h ARG 447 N 0.56 0.10 0.09 2.33 2.43 -1.98 -0.71 114.38 117.19 3a1e h ARG 447 Ca -0.01 -0.05 -0.25 0.00 -0.81 0.00 0.00 59.98 58.86 3a1e h ARG 447 Cb 1.22 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 3a1e h ARG 447 CO 0.13 0.53 -1.16 1.49 -1.51 0.00 0.00 179.97 179.44 3a1e h GLU 448 N 0.08 0.20 -0.06 0.20 4.57 -1.98 0.42 114.58 118.01 3a1e h GLU 448 Ca 0.00 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 3a1e h GLU 448 Cb 0.82 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.53 3a1e h GLU 448 CO 0.06 1.15 0.04 1.25 -1.18 0.00 0.00 179.01 180.34 3a1e h LEU 449 N 0.06 0.07 -1.03 1.64 6.46 -1.35 -2.19 115.31 118.96 3a1e h LEU 449 Ca -0.10 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.62 3a1e h LEU 449 Cb 1.90 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 41.78 3a1e h LEU 449 CO 0.18 0.06 0.25 0.25 -0.62 0.00 0.00 178.44 178.56 3a1e h LEU 450 N 0.08 0.87 0.08 2.25 6.46 -1.10 -2.80 115.31 121.15 3a1e h LEU 450 Ca 0.02 -0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.66 3a1e h LEU 450 Cb -0.01 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.70 3a1e h LEU 450 CO -0.00 0.78 -0.04 -0.09 -0.62 0.00 0.00 178.44 178.46 3a1e h ARG 451 N 0.93 -0.11 -0.37 1.25 2.43 -0.71 -2.56 114.38 115.25 3a1e h ARG 451 Ca 0.22 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.41 3a1e h ARG 451 Cb 0.19 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3a1e h ARG 451 CO -0.02 -0.02 0.21 -0.07 -1.51 0.00 0.00 179.97 178.57 3a1e h LEU 452 N -0.17 0.34 -0.57 3.80 3.38 -1.30 -3.10 115.31 117.69 3a1e h LEU 452 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 3a1e h LEU 452 Cb 0.14 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3a1e h LEU 452 CO 0.02 0.25 -0.15 0.00 0.09 0.00 0.00 178.44 178.65 3a1e h ALA 453 N 1.16 0.77 0.00 1.53 0.00 -1.51 -2.82 119.26 118.40 3a1e h ALA 453 Ca 0.15 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3a1e h ALA 453 Cb 0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3a1e h ALA 453 CO -0.07 0.67 -0.08 0.00 0.00 0.00 0.00 179.25 179.77 3a1e h ALA 454 N 0.95 1.32 -0.21 0.00 0.00 -1.40 -2.03 119.26 117.88 3a1e h ALA 454 Ca 0.13 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3a1e h ALA 454 Cb 0.71 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3a1e h ALA 454 CO 0.05 0.10 -0.14 0.82 0.00 0.00 0.00 179.25 180.08 3a1e h ILE 455 N 0.00 1.32 0.00 0.00 1.08 -1.42 -2.53 117.51 115.95 3a1e h ILE 455 Ca -0.00 -1.25 -0.11 0.00 -0.39 0.00 0.00 64.86 63.11 3a1e h ILE 455 Cb 0.23 1.68 -0.02 0.00 -3.07 0.00 0.00 36.82 35.64 3a1e h ILE 455 CO 0.01 0.38 -0.51 0.00 -0.69 0.00 0.00 178.15 177.34 3a1e h ALA 456 N 0.68 0.83 -0.01 1.87 0.00 -1.46 -3.13 119.26 118.04 3a1e h ALA 456 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3a1e h ALA 456 Cb 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3a1e h ALA 456 CO 0.04 0.64 -0.23 0.39 0.00 0.00 0.00 179.25 180.09 3a1e n GLU 457 N -3.46 1.15 -0.35 0.00 -0.58 -0.80 -4.49 120.64 112.10 3a1e n GLU 457 Ca 0.00 -0.75 0.13 0.00 -0.42 0.00 0.00 57.16 56.12 3a1e n GLU 457 Cb 0.63 -1.48 0.33 0.00 -0.57 0.00 0.00 31.44 30.34 3a1e n GLU 457 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3a1e h ARG 458 N 1.83 0.75 0.00 3.49 9.65 -1.39 -2.87 114.38 125.84 3a1e h ARG 458 Ca 0.00 -0.04 -0.28 0.00 -1.10 0.00 0.00 59.98 58.56 3a1e h ARG 458 Cb 0.58 -0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 28.94 3a1e h ARG 458 CO 0.00 0.49 -1.61 0.00 2.80 0.00 0.00 179.97 181.65 3a1e h ARG 459 N 0.77 0.00 -7.13 0.20 3.08 -1.84 -3.48 114.38 105.97 3a1e h ARG 459 Ca 0.56 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 60.10 3a1e h ARG 459 Cb 0.87 0.00 0.09 0.00 0.08 0.00 0.00 29.97 31.01 3a1e h ARG 459 CO -0.35 0.53 0.41 0.45 -1.07 0.00 0.00 179.97 179.95 3a1e s SER 460 N -6.14 5.39 0.00 7.04 0.15 -1.08 -4.96 113.70 114.10 3a1e s SER 460 Ca -0.04 2.13 0.17 0.00 0.70 0.00 0.00 55.95 58.91 3a1e s SER 460 Cb 0.08 -2.57 0.39 0.00 -1.71 0.00 0.00 66.02 62.22 3a1e s SER 460 CO 0.82 -1.44 1.31 1.21 1.20 0.00 0.00 173.24 176.34 3a1e n GLU 461 N -1.80 2.48 -2.36 5.44 2.13 -1.26 -4.63 120.64 120.63 3a1e n GLU 461 Ca 0.11 -2.16 -0.41 0.00 0.66 0.00 0.00 57.16 55.37 3a1e n GLU 461 Cb 0.51 -1.39 -0.04 0.00 0.27 0.00 0.00 31.44 30.79 3a1e n GLU 461 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3a1e s GLN 462 N -1.10 4.52 0.28 5.31 -0.44 -1.26 -4.84 119.66 122.14 3a1e s GLN 462 Ca 0.32 1.91 -0.03 0.00 -2.50 0.00 0.00 55.36 55.06 3a1e s GLN 462 Cb 0.18 -3.19 0.59 0.00 -1.64 0.00 0.00 33.01 28.94 3a1e s GLN 462 CO 0.24 -0.00 1.58 -1.35 0.50 0.00 0.00 175.29 176.26 3a1e h PRO 463 N 4.46 0.03 -0.59 1.67 0.11 -1.99 0.89 132.00 136.59 3a1e h PRO 463 Ca -0.46 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3a1e h PRO 463 Cb 1.21 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 3a1e h PRO 463 CO 0.71 0.02 0.32 0.82 -0.21 0.00 0.00 178.00 179.66 3a1e h ILE 464 N 0.03 1.19 -0.50 4.15 2.04 -1.96 -1.48 117.51 120.97 3a1e h ILE 464 Ca 0.52 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 3a1e h ILE 464 Cb 0.96 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3a1e h ILE 464 CO -0.88 0.20 0.26 0.00 0.00 0.00 0.00 178.15 177.73 3a1e h ALA 465 N 1.15 0.64 -0.43 1.87 0.00 -1.23 -2.04 119.26 119.22 3a1e h ALA 465 Ca 0.21 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3a1e h ALA 465 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3a1e h ALA 465 CO -0.03 0.18 -0.18 0.93 0.00 0.00 0.00 179.25 180.14 3a1e h GLU 466 N 0.67 0.84 -0.33 0.00 5.08 -1.04 -2.28 114.58 117.50 3a1e h GLU 466 Ca 0.17 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3a1e h GLU 466 Cb 0.08 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3a1e h GLU 466 CO -0.03 0.96 0.14 0.00 -1.00 0.00 0.00 179.01 179.08 3a1e h ALA 467 N 1.05 0.43 -0.43 3.43 0.00 -1.10 -0.75 119.26 121.89 3a1e h ALA 467 Ca 0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3a1e h ALA 467 Cb 0.71 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3a1e h ALA 467 CO 0.05 0.03 0.09 0.82 0.00 0.00 0.00 179.25 180.24 3a1e h ILE 468 N 0.39 1.24 -0.01 0.00 2.04 -1.36 -1.92 117.51 117.90 3a1e h ILE 468 Ca 0.11 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 3a1e h ILE 468 Cb 0.18 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3a1e h ILE 468 CO -0.01 0.30 0.00 0.58 0.00 0.00 0.00 178.15 179.02 3a1e h VAL 469 N 0.57 1.06 -0.67 1.67 2.07 -1.35 -1.87 116.25 117.72 3a1e h VAL 469 Ca 0.13 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.58 3a1e h VAL 469 Cb 0.35 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3a1e h VAL 469 CO 0.01 0.04 0.44 0.50 0.02 0.00 0.00 177.57 178.58 3a1e h LYS 470 N -0.06 0.54 -0.16 1.57 3.64 -1.08 -1.58 116.57 119.44 3a1e h LYS 470 Ca 0.00 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.15 3a1e h LYS 470 Cb 0.07 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3a1e h LYS 470 CO -0.00 0.36 -0.68 -0.22 -2.27 0.00 0.00 179.45 176.63 3a1e h LYS 471 N 0.56 0.74 -0.11 1.90 1.63 -1.04 -2.61 116.57 117.65 3a1e h LYS 471 Ca 0.30 -0.59 -0.04 0.00 -0.85 0.00 0.00 60.65 59.48 3a1e h LYS 471 Cb 0.45 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 3a1e h LYS 471 CO -0.10 1.20 -0.11 0.00 -3.45 0.00 0.00 179.45 176.99 3a1e h ALA 472 N 0.55 1.62 -0.32 5.00 0.00 -0.93 -2.35 119.26 122.82 3a1e h ALA 472 Ca -0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3a1e h ALA 472 Cb 1.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3a1e h ALA 472 CO 0.14 0.28 0.07 1.25 0.00 0.00 0.00 179.25 181.00 3a1e h LEU 473 N 0.16 0.49 -1.83 0.00 5.85 -1.22 0.92 115.31 119.69 3a1e h LEU 473 Ca 0.03 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 3a1e h LEU 473 Cb 0.30 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 3a1e h LEU 473 CO 0.02 0.60 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.28 3a1e h GLU 474 N 0.36 0.00 0.00 1.25 5.08 -1.06 -2.66 114.58 117.55 3a1e h GLU 474 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3a1e h GLU 474 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3a1e h GLU 474 CO 0.00 0.12 -1.05 0.72 -1.00 0.00 0.00 179.01 177.80 3a1e n HIS 475 N -3.50 0.43 -1.52 4.33 8.25 -0.92 -4.99 115.22 117.29 3a1e n HIS 475 Ca -0.01 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 3a1e n HIS 475 Cb 0.26 -0.59 0.00 0.00 1.12 0.00 0.00 29.99 30.79 3a1e n HIS 475 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a1e n GLY 476 N 1.31 0.95 3.67 -1.41 0.00 -0.83 -5.05 105.19 103.83 3a1e n GLY 476 Ca 0.01 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 3a1e n GLY 476 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1e s ILE 477 N -2.39 4.75 -0.01 -0.61 -1.09 0.26 -5.03 121.20 117.09 3a1e s ILE 477 Ca 0.00 1.97 -0.30 0.00 -2.23 0.00 0.00 60.65 60.10 3a1e s ILE 477 Cb 0.00 -4.29 -0.03 0.00 -1.58 0.00 0.00 42.46 36.57 3a1e s ILE 477 CO 0.00 -0.07 0.98 -1.61 -1.23 0.00 0.00 174.94 173.01 3a1e s GLU 478 N 2.55 4.55 -0.09 2.79 0.41 -1.26 -4.75 118.70 122.90 3a1e s GLU 478 Ca 0.45 1.41 0.17 0.00 -0.41 0.00 0.00 54.97 56.59 3a1e s GLU 478 Cb -0.17 -3.47 -0.23 0.00 -1.78 0.00 0.00 34.13 28.49 3a1e s GLU 478 CO 0.12 -0.07 0.41 1.28 -0.49 0.00 0.00 175.26 176.52 3a1e n LEU 479 N 3.99 0.39 0.00 1.80 4.77 -1.26 -5.05 117.00 121.63 3a1e n LEU 479 Ca 0.06 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3a1e n LEU 479 Cb 0.51 0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 3a1e n LEU 479 CO 0.52 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 3a1e n GLY 480 N 1.57 0.54 3.66 -0.72 0.00 -1.26 -4.74 105.19 104.24 3a1e n GLY 480 Ca -0.21 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 3a1e n GLY 480 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a1e s GLU 481 N 0.00 4.14 -0.03 1.61 0.41 -1.26 -4.94 118.70 118.62 3a1e s GLU 481 Ca 0.00 2.44 -0.30 0.00 -0.41 0.00 0.00 54.97 56.70 3a1e s GLU 481 Cb 0.00 -4.10 -0.05 0.00 -1.78 0.00 0.00 34.13 28.20 3a1e s GLU 481 CO 0.00 -0.94 1.48 -2.14 -0.49 0.00 0.00 175.26 173.17 3a1e s PRO 482 N 4.34 4.24 0.24 0.39 0.02 -1.26 -5.01 135.00 137.97 3a1e s PRO 482 Ca 0.83 2.03 -0.01 0.00 0.02 0.00 0.00 61.00 63.86 3a1e s PRO 482 Cb -0.39 -3.71 -0.04 0.00 0.02 0.00 0.00 34.50 30.38 3a1e s PRO 482 CO 0.37 -0.68 0.45 -1.21 -0.33 0.00 0.00 177.00 175.60 3a1e s GLU 483 N 2.99 3.54 0.15 5.54 2.02 -1.26 -5.04 118.70 126.63 3a1e s GLU 483 Ca 0.66 -0.27 -0.31 0.00 0.02 0.00 0.00 54.97 55.07 3a1e s GLU 483 Cb -0.32 -2.77 -0.11 0.00 0.10 0.00 0.00 34.13 31.04 3a1e s GLU 483 CO 0.26 0.32 1.82 1.17 0.02 0.00 0.00 175.26 178.86 3a1e n LYS 484 N -0.92 2.83 -4.72 1.61 3.00 -1.26 -4.98 118.16 113.71 3a1e n LYS 484 Ca -0.04 1.03 -0.33 0.00 -0.00 0.00 0.00 58.31 58.96 3a1e n LYS 484 Cb 0.54 -2.92 -0.12 0.00 0.00 0.00 0.00 35.03 32.53 3a1e n LYS 484 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3a1e s VAL 485 N 2.41 3.40 -0.23 3.15 1.01 -1.26 -4.33 120.40 124.55 3a1e s VAL 485 Ca 0.80 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 62.01 3a1e s VAL 485 Cb -0.48 -2.39 -0.17 0.00 0.00 0.00 0.00 36.38 33.35 3a1e s VAL 485 CO 0.36 0.57 0.06 1.21 0.00 0.00 0.00 175.10 177.30 3a1e n GLU 486 N 2.62 0.57 -2.33 2.72 0.00 -0.20 -4.97 120.64 119.04 3a1e n GLU 486 Ca -0.18 0.49 -0.03 0.00 0.00 0.00 0.00 57.16 57.45 3a1e n GLU 486 Cb 0.53 -1.68 -0.02 0.00 0.00 0.00 0.00 31.44 30.26 3a1e n GLU 486 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3a1e n VAL 487 N -4.39-11.96 -3.62 6.31 0.31 -1.26 -4.94 118.33 98.78 3a1e n VAL 487 Ca -0.38 2.63 -0.37 0.00 -0.01 0.00 0.00 64.34 66.21 3a1e n VAL 487 Cb 0.73 -6.00 -0.10 0.00 -0.91 0.00 0.00 33.84 27.57 3a1e n VAL 487 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3a1e s ILE 488 N -0.56 5.33 0.11 2.52 1.01 -0.04 -5.00 121.20 124.58 3a1e s ILE 488 Ca -0.14 0.18 -0.31 0.00 0.00 0.00 0.00 60.65 60.38 3a1e s ILE 488 Cb 0.01 -3.52 -0.10 0.00 0.01 0.00 0.00 42.46 38.86 3a1e s ILE 488 CO 0.38 0.30 1.78 0.00 0.00 0.00 0.00 174.94 177.39 3a1e s ALA 489 N 1.40 3.75 -0.12 9.38 0.00 -1.26 -1.92 121.76 132.98 3a1e s ALA 489 Ca 0.07 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.42 3a1e s ALA 489 Cb -0.15 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.23 3a1e s ALA 489 CO 0.08 -1.18 0.00 0.41 0.00 0.00 0.00 175.76 175.06 3a1e n GLY 490 N 4.16 0.50 1.84 0.00 0.00 -1.26 -4.85 105.19 105.58 3a1e n GLY 490 Ca 0.17 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3a1e n GLY 490 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a1e n GLU 491 N -2.82 0.00 -1.52 1.61 1.02 -0.81 -4.93 120.64 113.19 3a1e n GLU 491 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3a1e n GLU 491 Cb 0.05 -0.08 0.00 0.00 -0.02 0.00 0.00 31.44 31.40 3a1e n GLU 491 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a1e n GLY 492 N 1.76 -0.01 3.62 0.62 0.00 -0.89 -2.06 105.19 108.22 3a1e n GLY 492 Ca 0.00 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 3a1e n GLY 492 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a1e s VAL 493 N -3.41 3.57 -0.10 1.61 -7.23 -0.74 -0.86 120.40 113.24 3a1e s VAL 493 Ca 0.00 -1.23 -0.01 0.00 -1.81 0.00 0.00 61.98 58.92 3a1e s VAL 493 Cb 0.00 -2.70 0.03 0.00 0.56 0.00 0.00 36.38 34.27 3a1e s VAL 493 CO 0.00 0.08 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.16 3a1e s VAL 494 N -1.32 0.62 -0.19 1.32 1.01 -1.26 -2.77 120.40 117.81 3a1e s VAL 494 Ca 0.23 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 3a1e s VAL 494 Cb -0.11 -0.76 0.08 0.00 0.00 0.00 0.00 36.38 35.58 3a1e s VAL 494 CO 0.16 0.25 0.15 0.00 0.00 0.00 0.00 175.10 175.65 3a1e s ALA 495 N 1.87 0.14 0.00 5.51 0.00 -0.93 -1.03 121.76 127.32 3a1e s ALA 495 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3a1e s ALA 495 Cb -0.13 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.83 3a1e s ALA 495 CO -0.06 -1.20 0.00 -3.47 0.00 0.00 0.00 175.76 171.02 3a1e n ASP 496 N 5.30 0.00 0.00 0.00 2.03 -1.26 -0.33 116.55 122.28 3a1e n ASP 496 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 3a1e n ASP 496 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 3a1e n ASP 496 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3a1e n GLY 497 N 0.02 2.97 3.78 0.27 0.00 -1.26 -5.05 105.19 105.92 3a1e n GLY 497 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3a1e n GLY 497 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1e s ILE 498 N -2.78 4.75 -0.06 -0.61 -1.09 0.55 -1.74 121.20 120.22 3a1e s ILE 498 Ca 0.00 -0.30 -0.03 0.00 -2.23 0.00 0.00 60.65 58.09 3a1e s ILE 498 Cb 0.00 -3.12 0.04 0.00 -1.58 0.00 0.00 42.46 37.79 3a1e s ILE 498 CO 0.00 0.43 0.11 -0.22 -1.23 0.00 0.00 174.94 174.03 3a1e s LEU 499 N -1.48 0.06 -0.18 2.97 2.96 -0.33 -2.20 118.68 120.48 3a1e s LEU 499 Ca 0.20 0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 54.30 3a1e s LEU 499 Cb -0.12 0.06 0.05 0.00 0.50 0.00 0.00 46.19 46.68 3a1e s LEU 499 CO 0.10 -0.24 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.18 3a1e s VAL 500 N 2.20 0.90 -2.18 1.68 1.01 -1.11 0.20 120.40 123.10 3a1e s VAL 500 Ca 0.04 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3a1e s VAL 500 Cb -0.12 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.06 3a1e s VAL 500 CO -0.04 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.66 3a1e n GLY 501 N 4.93 -0.66 3.22 4.51 0.00 -0.40 -1.79 105.19 115.00 3a1e n GLY 501 Ca -0.10 -0.85 -0.25 0.00 0.00 0.00 0.00 46.02 44.82 3a1e n GLY 501 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3a1e n ASN 502 N 0.22 0.06 0.28 1.61 0.23 -0.88 -0.70 115.26 116.09 3a1e n ASN 502 Ca 0.00 -1.40 0.14 0.00 -0.53 0.00 0.00 54.58 52.79 3a1e n ASN 502 Cb 0.00 -0.85 0.85 0.00 -2.08 0.00 0.00 39.78 37.70 3a1e n ASN 502 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3a1e h LYS 503 N 0.00 0.00 -0.49 -3.83 1.57 -1.93 -2.26 116.57 109.62 3a1e h LYS 503 Ca -0.36 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.31 3a1e h LYS 503 Cb 0.99 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 3a1e h LYS 503 CO 0.25 0.04 -0.14 0.00 -0.57 0.00 0.00 179.45 179.03 3a1e h ARG 504 N 0.00 0.95 -0.53 3.15 3.08 -1.92 -0.59 114.38 118.52 3a1e h ARG 504 Ca -0.00 -0.36 -0.11 0.00 0.07 0.00 0.00 59.98 59.58 3a1e h ARG 504 Cb 0.11 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3a1e h ARG 504 CO 0.01 1.02 -0.09 1.25 -1.07 0.00 0.00 179.97 181.09 3a1e h LEU 505 N 0.84 0.99 -0.41 3.04 5.85 -1.65 -1.42 115.31 122.54 3a1e h LEU 505 Ca 0.13 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 3a1e h LEU 505 Cb 0.69 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3a1e h LEU 505 CO 0.05 1.10 0.17 0.24 -0.34 0.00 0.00 178.44 179.67 3a1e h MET 506 N 0.86 0.62 -0.14 1.25 2.86 -1.38 -2.52 114.93 116.49 3a1e h MET 506 Ca 0.14 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3a1e h MET 506 Cb 0.65 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 3a1e h MET 506 CO 0.04 0.57 -0.09 1.49 1.06 0.00 0.00 176.91 179.98 3a1e h GLU 507 N 0.53 0.21 0.00 1.72 4.81 -1.07 0.31 114.58 121.09 3a1e h GLU 507 Ca 0.14 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 3a1e h GLU 507 Cb 0.18 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3a1e h GLU 507 CO -0.01 0.31 -0.26 0.22 -0.73 0.00 0.00 179.01 178.53 3a1e h ASP 508 N 0.20 0.00 -0.12 1.04 1.82 -0.82 -2.96 116.42 115.58 3a1e h ASP 508 Ca 0.04 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 3a1e h ASP 508 Cb 0.29 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.30 3a1e h ASP 508 CO 0.02 0.26 0.00 0.49 -1.61 0.00 0.00 179.24 178.40 3a1e n PHE 509 N -3.61 0.22 -1.75 0.28 3.01 -1.05 -4.99 117.46 109.57 3a1e n PHE 509 Ca -0.01 -0.62 -0.12 0.00 1.01 0.00 0.00 57.45 57.71 3a1e n PHE 509 Cb 0.40 -0.09 -0.03 0.00 -0.01 0.00 0.00 39.48 39.75 3a1e n PHE 509 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3a1e n GLY 510 N -0.37 0.65 3.64 1.37 0.00 -0.65 -4.99 105.19 104.84 3a1e n GLY 510 Ca 0.08 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 3a1e n GLY 510 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1e s VAL 511 N -2.51 4.76 0.06 1.61 1.01 0.10 -4.99 120.40 120.45 3a1e s VAL 511 Ca 0.00 1.60 -0.31 0.00 0.00 0.00 0.00 61.98 63.27 3a1e s VAL 511 Cb 0.00 -4.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 3a1e s VAL 511 CO 0.00 -0.17 1.23 0.00 0.00 0.00 0.00 175.10 176.16 3a1e s ALA 512 N 3.02 3.43 -0.19 5.51 0.00 -1.26 -4.37 121.76 127.90 3a1e s ALA 512 Ca 0.37 0.88 -0.02 0.00 0.00 0.00 0.00 51.96 53.20 3a1e s ALA 512 Cb -0.15 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.51 3a1e s ALA 512 CO 0.09 -0.49 -0.10 0.08 0.00 0.00 0.00 175.76 175.34 3a1e s VAL 513 N 1.15 2.92 0.80 0.00 1.01 -1.26 -4.67 120.40 120.35 3a1e s VAL 513 Ca 0.60 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 3a1e s VAL 513 Cb -0.30 -2.29 0.07 0.00 0.00 0.00 0.00 36.38 33.86 3a1e s VAL 513 CO 0.29 0.47 1.12 -0.94 0.00 0.00 0.00 175.10 176.04 3a1e s SER 514 N 1.26 4.51 0.26 3.32 1.04 -1.26 -4.90 113.70 117.93 3a1e s SER 514 Ca 0.03 1.12 -0.05 0.00 0.48 0.00 0.00 55.95 57.53 3a1e s SER 514 Cb -0.14 -1.80 0.32 0.00 0.10 0.00 0.00 66.02 64.50 3a1e s SER 514 CO -0.05 -1.94 1.92 0.78 0.98 0.00 0.00 173.24 174.93 3a1e h ASN 515 N -1.07 1.11 -0.36 7.02 -0.26 -2.00 -1.62 115.58 118.40 3a1e h ASN 515 Ca -0.47 -0.02 -0.12 0.00 -0.56 0.00 0.00 56.30 55.13 3a1e h ASN 515 Cb 1.29 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 38.27 3a1e h ASN 515 CO 0.62 0.77 -0.23 -0.08 -1.06 0.00 0.00 177.43 177.45 3a1e h GLU 516 N 1.29 0.86 -0.42 0.81 4.81 -1.99 0.10 114.58 120.04 3a1e h GLU 516 Ca 0.39 -0.36 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 3a1e h GLU 516 Cb -0.05 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3a1e h GLU 516 CO -0.11 1.00 0.04 0.28 -0.73 0.00 0.00 179.01 179.49 3a1e h VAL 517 N 0.74 1.25 -0.39 0.32 2.07 -1.92 -2.11 116.25 116.22 3a1e h VAL 517 Ca 0.10 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.68 3a1e h VAL 517 Cb 0.77 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3a1e h VAL 517 CO 0.06 0.32 0.25 -0.08 0.02 0.00 0.00 177.57 178.14 3a1e h GLU 518 N 0.57 0.52 -0.56 1.57 4.57 -0.95 -0.50 114.58 119.80 3a1e h GLU 518 Ca 0.13 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.21 3a1e h GLU 518 Cb 0.42 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 3a1e h GLU 518 CO 0.01 0.37 0.11 -0.07 -1.18 0.00 0.00 179.01 178.25 3a1e h LEU 519 N 0.52 0.83 -0.44 1.64 3.38 -0.80 -1.41 115.31 119.02 3a1e h LEU 519 Ca 0.14 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3a1e h LEU 519 Cb -0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3a1e h LEU 519 CO -0.03 0.84 0.13 0.00 0.09 0.00 0.00 178.44 179.47 3a1e h ALA 520 N 1.27 0.58 -0.01 1.53 0.00 -1.06 -1.92 119.26 119.65 3a1e h ALA 520 Ca 0.18 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3a1e h ALA 520 Cb 0.35 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3a1e h ALA 520 CO 0.00 0.24 -0.16 -0.07 0.00 0.00 0.00 179.25 179.26 3a1e h LEU 521 N 0.58 -0.48 -0.83 0.00 4.07 -0.81 -2.45 115.31 115.38 3a1e h LEU 521 Ca 0.14 0.07 0.01 0.00 0.08 0.00 0.00 57.88 58.18 3a1e h LEU 521 Cb 0.28 0.21 -0.04 0.00 1.08 0.00 0.00 40.66 42.18 3a1e h LEU 521 CO -0.00 -0.22 0.55 -0.33 -1.08 0.00 0.00 178.44 177.35 3a1e h GLU 522 N -0.27 1.10 -0.55 1.13 5.08 -1.20 -0.60 114.58 119.27 3a1e h GLU 522 Ca 0.06 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3a1e h GLU 522 Cb 0.34 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 3a1e h GLU 522 CO -0.17 0.73 0.30 -0.22 -1.00 0.00 0.00 179.01 178.66 3a1e h LYS 523 N 1.13 0.57 -0.41 2.33 3.64 -1.17 -1.18 116.57 121.49 3a1e h LYS 523 Ca 0.31 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.58 3a1e h LYS 523 Cb -0.13 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 3a1e h LYS 523 CO -0.07 0.38 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.39 3a1e h LEU 524 N 0.59 0.74 -0.88 5.20 3.38 -0.95 -3.05 115.31 120.34 3a1e h LEU 524 Ca 0.24 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 57.96 3a1e h LEU 524 Cb 0.11 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 3a1e h LEU 524 CO -0.14 0.89 0.53 -0.33 0.09 0.00 0.00 178.44 179.48 3a1e h GLU 525 N 0.57 0.89 0.00 1.13 5.08 -0.75 -0.62 114.58 120.88 3a1e h GLU 525 Ca 0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3a1e h GLU 525 Cb 0.53 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3a1e h GLU 525 CO 0.03 0.59 0.00 0.00 -1.00 0.00 0.00 179.01 178.63 3a1e h ARG 526 N 0.92 0.00 -0.67 2.33 3.08 -1.12 -0.45 114.38 118.48 3a1e h ARG 526 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 3a1e h ARG 526 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3a1e h ARG 526 CO -0.22 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.07 3a1e n GLU 527 N -2.50 2.52 -3.35 0.04 1.02 -0.24 -4.88 120.64 113.24 3a1e n GLU 527 Ca 0.00 -1.41 -0.16 0.00 -0.02 0.00 0.00 57.16 55.57 3a1e n GLU 527 Cb 0.16 -1.68 0.08 0.00 -0.02 0.00 0.00 31.44 29.98 3a1e n GLU 527 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a1e n ALA 528 N 0.36 -1.95 -2.41 0.62 0.00 -0.19 -5.04 120.51 111.90 3a1e n ALA 528 Ca 0.13 -0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.31 3a1e n ALA 528 Cb 0.57 -2.51 -0.11 0.00 0.00 0.00 0.00 19.45 17.41 3a1e n ALA 528 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3a1e s LYS 529 N -5.25 1.35 -0.22 0.00 1.02 -1.16 -4.77 119.74 110.72 3a1e s LYS 529 Ca 0.02 -1.54 -0.14 0.00 0.02 0.00 0.00 55.97 54.33 3a1e s LYS 529 Cb -0.00 -1.30 -0.04 0.00 -0.52 0.00 0.00 37.83 35.96 3a1e s LYS 529 CO 0.70 0.24 0.34 0.99 -0.92 0.00 0.00 175.35 176.70 3a1e s THR 530 N -2.51 5.23 -0.18 2.17 2.01 0.28 -4.16 115.64 118.48 3a1e s THR 530 Ca 0.21 0.57 -0.01 0.00 0.31 0.00 0.00 61.69 62.76 3a1e s THR 530 Cb -0.03 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.80 3a1e s THR 530 CO 0.08 0.26 -0.13 0.00 -0.69 0.00 0.00 174.62 174.14 3a1e s ALA 531 N 1.37 2.57 0.18 7.40 0.00 -1.26 -0.34 121.76 131.67 3a1e s ALA 531 Ca 0.16 -1.11 0.10 0.00 0.00 0.00 0.00 51.96 51.11 3a1e s ALA 531 Cb -0.15 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 3a1e s ALA 531 CO 0.07 -0.21 -0.17 0.14 0.00 0.00 0.00 175.76 175.60 3a1e s VAL 532 N 1.10 2.78 -0.16 0.00 -7.23 0.22 -4.85 120.40 112.26 3a1e s VAL 532 Ca 0.00 -1.81 -0.08 0.00 -1.81 0.00 0.00 61.98 58.28 3a1e s VAL 532 Cb -0.14 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 3a1e s VAL 532 CO -0.04 -0.09 0.11 -0.63 -0.31 0.00 0.00 175.10 174.15 3a1e s ILE 533 N -1.63 5.28 -0.16 -0.62 1.01 0.12 -1.29 121.20 123.91 3a1e s ILE 533 Ca 0.22 0.13 -0.06 0.00 0.00 0.00 0.00 60.65 60.95 3a1e s ILE 533 Cb -0.09 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 3a1e s ILE 533 CO 0.12 0.52 0.03 -0.69 0.00 0.00 0.00 174.94 174.92 3a1e s VAL 534 N -0.24 4.52 -0.06 2.92 1.01 -0.67 -1.28 120.40 126.59 3a1e s VAL 534 Ca 0.10 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3a1e s VAL 534 Cb -0.12 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.27 3a1e s VAL 534 CO 0.01 0.49 -0.12 0.00 0.00 0.00 0.00 175.10 175.48 3a1e s ALA 535 N 0.21 1.22 -0.13 5.51 0.00 0.13 -0.96 121.76 127.76 3a1e s ALA 535 Ca 0.02 -0.41 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 3a1e s ALA 535 Cb -0.13 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 3a1e s ALA 535 CO 0.01 0.12 -0.11 0.50 0.00 0.00 0.00 175.76 176.28 3a1e s ARG 536 N 0.60 3.35 -1.11 0.00 3.52 0.08 -1.19 118.95 124.20 3a1e s ARG 536 Ca -0.13 -0.65 -0.05 0.00 -0.13 0.00 0.00 55.73 54.77 3a1e s ARG 536 Cb -0.15 -2.66 0.04 0.00 -1.56 0.00 0.00 34.95 30.61 3a1e s ARG 536 CO 0.03 0.27 0.25 0.09 -0.81 0.00 0.00 175.30 175.13 3a1e n ASN 537 N 3.38 -3.67 0.00 -2.12 3.02 -0.71 -1.05 115.26 114.11 3a1e n ASN 537 Ca -0.18 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 3a1e n ASN 537 Cb 0.53 -3.08 0.00 0.00 -0.61 0.00 0.00 39.78 36.61 3a1e n ASN 537 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a1e n GLY 538 N -0.98 0.82 3.43 7.41 0.00 -1.26 -5.06 105.19 109.55 3a1e n GLY 538 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 3a1e n GLY 538 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1e s ARG 539 N -0.65 2.04 -0.03 1.61 3.00 -0.22 -4.53 118.95 120.17 3a1e s ARG 539 Ca 0.00 -0.99 -0.30 0.00 0.00 0.00 0.00 55.73 54.44 3a1e s ARG 539 Cb 0.00 -2.16 -0.05 0.00 0.00 0.00 0.00 34.95 32.74 3a1e s ARG 539 CO 0.00 0.54 1.54 0.08 0.00 0.00 0.00 175.30 177.46 3a1e s VAL 540 N -0.88 3.61 -0.12 3.52 1.01 -1.26 -0.74 120.40 125.53 3a1e s VAL 540 Ca 0.14 0.88 -0.11 0.00 0.00 0.00 0.00 61.98 62.88 3a1e s VAL 540 Cb -0.10 -3.56 -0.26 0.00 0.00 0.00 0.00 36.38 32.45 3a1e s VAL 540 CO 0.04 -0.04 0.43 -0.33 0.00 0.00 0.00 175.10 175.20 3a1e h GLU 541 N 8.71 0.25 0.00 2.72 4.39 -1.40 -3.47 114.58 125.78 3a1e h GLU 541 Ca -0.38 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 58.90 3a1e h GLU 541 Cb 1.17 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 3a1e h GLU 541 CO 0.94 1.20 0.00 0.41 -1.16 0.00 0.00 179.01 180.40 3a1e n GLY 542 N 1.85 -1.53 3.33 -3.84 0.00 -1.19 -0.67 105.19 103.14 3a1e n GLY 542 Ca -0.30 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 3a1e n GLY 542 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a1e s ILE 543 N -2.58 2.03 -0.05 -0.61 -4.36 -0.44 -1.67 121.20 113.52 3a1e s ILE 543 Ca 0.00 -1.39 0.04 0.00 -0.26 0.00 0.00 60.65 59.04 3a1e s ILE 543 Cb 0.00 -1.75 -0.00 0.00 1.25 0.00 0.00 42.46 41.96 3a1e s ILE 543 CO 0.00 0.29 -0.17 -0.63 0.24 0.00 0.00 174.94 174.68 3a1e s ILE 544 N -0.84 1.41 -0.04 8.37 1.01 -0.41 -1.29 121.20 129.42 3a1e s ILE 544 Ca 0.11 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.11 3a1e s ILE 544 Cb -0.10 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 3a1e s ILE 544 CO 0.02 0.41 -0.16 0.00 0.00 0.00 0.00 174.94 175.22 3a1e s ALA 545 N 0.16 2.61 0.01 9.38 0.00 -0.70 -0.61 121.76 132.62 3a1e s ALA 545 Ca -0.07 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 50.93 3a1e s ALA 545 Cb -0.13 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 3a1e s ALA 545 CO 0.03 0.56 -0.14 0.08 0.00 0.00 0.00 175.76 176.28 3a1e s VAL 546 N -0.74 1.13 0.05 0.00 1.01 0.53 -1.03 120.40 121.35 3a1e s VAL 546 Ca 0.12 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3a1e s VAL 546 Cb -0.11 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3a1e s VAL 546 CO 0.01 0.18 -0.09 -0.55 0.00 0.00 0.00 175.10 174.65 3a1e s SER 547 N -0.70 1.05 -0.07 3.32 0.15 -0.46 -0.56 113.70 116.42 3a1e s SER 547 Ca 0.04 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.12 3a1e s SER 547 Cb -0.07 0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.28 3a1e s SER 547 CO 0.00 -0.17 -0.05 -0.62 1.20 0.00 0.00 173.24 173.60 3a1e s ASP 548 N -1.62 1.60 0.41 5.45 2.15 -1.26 -1.25 116.67 122.15 3a1e s ASP 548 Ca -0.08 -0.19 -0.25 0.00 0.43 0.00 0.00 52.55 52.46 3a1e s ASP 548 Cb -0.10 -0.61 -0.08 0.00 -0.30 0.00 0.00 42.92 41.82 3a1e s ASP 548 CO 0.01 -0.10 1.19 -0.89 -0.17 0.00 0.00 175.17 175.20 3a1e s THR 549 N 1.41 3.07 0.34 1.71 2.01 -1.26 -4.76 115.64 118.16 3a1e s THR 549 Ca -0.02 0.89 -0.28 0.00 0.31 0.00 0.00 61.69 62.58 3a1e s THR 549 Cb -0.13 -3.49 -0.10 0.00 0.01 0.00 0.00 72.50 68.78 3a1e s THR 549 CO -0.03 0.07 1.35 -0.76 -0.69 0.00 0.00 174.62 174.56 3a1e s LEU 550 N -2.59 4.40 0.43 4.42 1.43 -1.26 -1.16 118.68 124.35 3a1e s LEU 550 Ca 0.58 2.77 -0.24 0.00 -1.03 0.00 0.00 54.13 56.22 3a1e s LEU 550 Cb -0.31 -3.66 -0.10 0.00 0.03 0.00 0.00 46.19 42.15 3a1e s LEU 550 CO 0.39 -0.62 1.01 0.29 0.23 0.00 0.00 176.35 177.66 3a1e n LYS 551 N 0.71 1.34 0.21 1.70 5.02 -0.06 -4.72 118.16 122.35 3a1e n LYS 551 Ca 0.00 0.48 0.14 0.00 -2.02 0.00 0.00 58.31 56.91 3a1e n LYS 551 Cb 0.41 -2.06 0.75 0.00 -0.02 0.00 0.00 35.03 34.11 3a1e n LYS 551 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3a1e h GLU 552 N 1.50 0.00 0.00 1.97 5.08 -1.93 -2.08 114.58 119.12 3a1e h GLU 552 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3a1e h GLU 552 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 3a1e h GLU 552 CO 0.57 0.00 -0.10 -1.13 -1.00 0.00 0.00 179.01 177.34 3a1e n SER 553 N -4.20 0.20 0.35 1.42 3.41 -1.26 -4.32 113.62 109.22 3a1e n SER 553 Ca 0.00 0.37 -0.17 0.00 -0.26 0.00 0.00 58.87 58.81 3a1e n SER 553 Cb 0.24 -0.39 -0.09 0.00 -0.26 0.00 0.00 64.21 63.71 3a1e n SER 553 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a1e h ALA 554 N 2.93 -0.86 0.06 7.33 0.00 -1.69 -1.59 119.26 125.44 3a1e h ALA 554 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3a1e h ALA 554 Cb 0.54 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3a1e h ALA 554 CO 0.00 -0.95 -0.43 -0.22 0.00 0.00 0.00 179.25 177.65 3a1e h LYS 555 N -0.94 -0.60 -0.49 0.00 1.63 -1.77 -0.95 116.57 113.44 3a1e h LYS 555 Ca -0.09 0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 3a1e h LYS 555 Cb 0.69 0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.43 3a1e h LYS 555 CO 0.14 -0.40 0.22 -1.00 -3.45 0.00 0.00 179.45 174.96 3a1e h PRO 556 N -0.63 0.70 -0.34 1.90 0.13 -1.79 -0.39 132.00 131.58 3a1e h PRO 556 Ca 0.03 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 3a1e h PRO 556 Cb 0.68 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 3a1e h PRO 556 CO -0.28 0.56 0.19 0.00 -0.23 0.00 0.00 178.00 178.24 3a1e h ALA 557 N 1.55 0.44 -0.42 -0.56 0.00 -0.97 -1.06 119.26 118.24 3a1e h ALA 557 Ca 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3a1e h ALA 557 Cb 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3a1e h ALA 557 CO -0.02 -0.04 0.24 0.28 0.00 0.00 0.00 179.25 179.71 3a1e h VAL 558 N 0.44 1.15 -0.68 0.00 2.07 -0.82 -1.50 116.25 116.90 3a1e h VAL 558 Ca 0.12 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.29 3a1e h VAL 558 Cb 0.05 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3a1e h VAL 558 CO -0.02 0.15 0.45 1.56 0.02 0.00 0.00 177.57 179.73 3a1e h GLN 559 N 0.55 0.90 -0.31 1.57 4.20 -0.84 -1.32 115.11 119.86 3a1e h GLN 559 Ca 0.15 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 58.63 3a1e h GLN 559 Cb 0.03 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 3a1e h GLN 559 CO -0.03 0.60 -0.50 1.49 -0.67 0.00 0.00 178.83 179.73 3a1e h GLU 560 N 0.92 0.85 -0.50 1.46 4.57 -1.01 -1.31 114.58 119.56 3a1e h GLU 560 Ca 0.25 -0.51 0.01 0.00 -1.18 0.00 0.00 59.36 57.93 3a1e h GLU 560 Cb -0.10 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 3a1e h GLU 560 CO -0.05 1.15 0.33 -0.07 -1.18 0.00 0.00 179.01 179.18 3a1e h LEU 561 N 0.67 0.57 -0.62 1.64 4.07 -0.93 -1.52 115.31 119.18 3a1e h LEU 561 Ca 0.03 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 3a1e h LEU 561 Cb 1.09 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.66 3a1e h LEU 561 CO 0.11 0.41 0.20 0.11 -1.08 0.00 0.00 178.44 178.19 3a1e h LYS 562 N 0.67 0.97 -0.49 1.13 1.57 -1.13 -1.45 116.57 117.84 3a1e h LYS 562 Ca 0.18 -0.21 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3a1e h LYS 562 Cb -0.08 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 3a1e h LYS 562 CO -0.04 0.85 0.33 -0.09 -0.57 0.00 0.00 179.45 179.93 3a1e h ARG 563 N 0.89 0.35 0.00 3.15 2.43 -1.03 0.82 114.38 120.99 3a1e h ARG 563 Ca 0.20 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3a1e h ARG 563 Cb 0.28 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3a1e h ARG 563 CO -0.01 0.23 0.00 -1.33 -1.51 0.00 0.00 179.97 177.35 3a1e n MET 564 N -4.47 0.90 -0.79 0.20 2.81 -0.59 -4.89 117.12 110.29 3a1e n MET 564 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 3a1e n MET 564 Cb 0.30 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 3a1e n MET 564 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a1e n GLY 565 N 0.86 0.55 3.78 3.03 0.00 0.28 -5.05 105.19 108.64 3a1e n GLY 565 Ca 0.22 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 3a1e n GLY 565 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1e s ILE 566 N -2.00 5.37 0.24 -0.61 1.01 -0.62 -5.00 121.20 119.59 3a1e s ILE 566 Ca 0.00 0.37 -0.30 0.00 0.00 0.00 0.00 60.65 60.72 3a1e s ILE 566 Cb 0.00 -3.52 -0.09 0.00 0.01 0.00 0.00 42.46 38.86 3a1e s ILE 566 CO 0.00 0.49 1.10 -0.54 0.00 0.00 0.00 174.94 175.99 3a1e s LYS 567 N -0.12 4.62 -0.07 2.79 1.02 -0.26 -3.64 119.74 124.08 3a1e s LYS 567 Ca 0.14 1.78 0.04 0.00 0.02 0.00 0.00 55.97 57.95 3a1e s LYS 567 Cb -0.12 -3.22 -0.00 0.00 -0.52 0.00 0.00 37.83 33.97 3a1e s LYS 567 CO 0.03 0.16 -0.21 0.08 -0.92 0.00 0.00 175.35 174.49 3a1e s VAL 568 N -0.83 1.78 0.29 3.17 1.01 -1.26 -0.47 120.40 124.10 3a1e s VAL 568 Ca 0.46 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3a1e s VAL 568 Cb -0.31 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 3a1e s VAL 568 CO 0.39 0.50 0.13 -0.83 0.00 0.00 0.00 175.10 175.29 3a1e s GLY 569 N 0.21 1.94 0.03 4.51 0.00 -0.15 0.60 107.32 114.45 3a1e s GLY 569 Ca -0.11 -1.78 0.05 0.00 0.00 0.00 0.00 44.72 42.87 3a1e s GLY 569 CO 0.05 -1.61 -0.15 -0.29 0.00 0.00 0.00 173.10 171.11 3a1e s MET 570 N -3.91 1.01 0.03 2.90 1.75 -1.11 -1.32 119.30 118.64 3a1e s MET 570 Ca 0.36 -0.76 0.06 0.00 -1.25 0.00 0.00 55.69 54.10 3a1e s MET 570 Cb 0.06 -1.03 -0.02 0.00 2.84 0.00 0.00 34.83 36.68 3a1e s MET 570 CO 0.15 0.26 -0.18 -1.50 -0.65 0.00 0.00 175.02 173.11 3a1e s ILE 571 N -0.79 1.40 -0.02 10.11 2.07 0.03 -0.80 121.20 133.20 3a1e s ILE 571 Ca 0.03 -1.00 -0.29 0.00 -1.41 0.00 0.00 60.65 57.97 3a1e s ILE 571 Cb -0.08 -1.22 0.07 0.00 0.13 0.00 0.00 42.46 41.36 3a1e s ILE 571 CO 0.01 0.20 0.66 0.28 -1.91 0.00 0.00 174.94 174.18 3a1e s THR 572 N -0.69 0.00 -1.00 4.00 -1.32 -0.24 -1.07 115.64 115.32 3a1e s THR 572 Ca 0.05 -0.02 0.28 0.00 -1.21 0.00 0.00 61.69 60.79 3a1e s THR 572 Cb -0.08 -0.99 0.23 0.00 -1.51 0.00 0.00 72.50 70.15 3a1e s THR 572 CO 0.01 -0.01 1.89 0.61 -2.21 0.00 0.00 174.62 174.91 3a1e n GLY 573 N 0.73 -1.45 3.81 6.08 0.00 -1.26 -2.22 105.19 110.88 3a1e n GLY 573 Ca -0.19 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 3a1e n GLY 573 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a1e s ASP 574 N -3.00 3.18 0.59 1.61 1.01 -1.26 -3.85 116.67 114.95 3a1e s ASP 574 Ca 0.13 0.71 -0.18 0.00 0.71 0.00 0.00 52.55 53.92 3a1e s ASP 574 Cb 0.18 -1.08 -0.03 0.00 1.01 0.00 0.00 42.92 43.00 3a1e s ASP 574 CO 0.50 -2.73 1.13 0.54 0.21 0.00 0.00 175.17 174.82 3a1e s ASN 575 N -4.32 5.44 0.20 0.27 2.20 -1.26 -0.50 114.94 116.97 3a1e s ASN 575 Ca 0.67 2.12 -0.09 0.00 -0.94 0.00 0.00 52.86 54.62 3a1e s ASN 575 Cb -0.11 -2.57 0.13 0.00 -2.00 0.00 0.00 41.25 36.71 3a1e s ASN 575 CO 0.53 -1.41 1.76 -0.50 -2.94 0.00 0.00 177.10 174.54 3a1e h TRP 576 N 0.72 1.14 -0.67 1.54 4.06 -1.95 -1.73 115.95 119.06 3a1e h TRP 576 Ca -0.49 -0.09 -0.07 0.00 2.06 0.00 0.00 58.89 60.30 3a1e h TRP 576 Cb 1.26 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 29.05 3a1e h TRP 576 CO 0.52 0.87 0.14 0.00 -3.56 0.00 0.00 178.44 176.42 3a1e h ARG 577 N 1.07 1.08 -0.29 0.49 3.08 -1.93 0.14 114.38 118.02 3a1e h ARG 577 Ca 0.25 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3a1e h ARG 577 Cb 0.23 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3a1e h ARG 577 CO -0.02 0.97 -0.01 1.03 -1.07 0.00 0.00 179.97 180.88 3a1e h SER 578 N 1.00 0.51 -0.77 7.04 0.87 -1.46 -1.70 113.55 119.04 3a1e h SER 578 Ca 0.21 -0.31 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 3a1e h SER 578 Cb 0.39 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 3a1e h SER 578 CO 0.01 0.70 0.47 0.00 -0.53 0.00 0.00 176.83 177.47 3a1e h ALA 579 N 0.83 0.98 -0.52 6.23 0.00 -0.94 -1.47 119.26 124.37 3a1e h ALA 579 Ca 0.08 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3a1e h ALA 579 Cb 0.44 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3a1e h ALA 579 CO 0.02 0.45 -0.04 1.49 0.00 0.00 0.00 179.25 181.16 3a1e h GLU 580 N 1.05 0.92 -0.59 0.00 4.57 -0.67 0.73 114.58 120.58 3a1e h GLU 580 Ca 0.28 -0.29 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3a1e h GLU 580 Cb -0.04 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 3a1e h GLU 580 CO -0.05 0.94 0.38 0.00 -1.18 0.00 0.00 179.01 179.10 3a1e h ALA 581 N 1.11 0.76 -0.51 2.92 0.00 -0.91 -0.41 119.26 122.22 3a1e h ALA 581 Ca 0.15 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3a1e h ALA 581 Cb 0.56 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3a1e h ALA 581 CO 0.03 0.16 0.03 0.82 0.00 0.00 0.00 179.25 180.29 3a1e h ILE 582 N 0.77 1.26 -0.63 0.00 2.04 -0.93 -1.92 117.51 118.10 3a1e h ILE 582 Ca 0.23 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 65.08 3a1e h ILE 582 Cb -0.05 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3a1e h ILE 582 CO -0.07 0.36 0.39 -1.28 0.00 0.00 0.00 178.15 177.55 3a1e h SER 583 N 0.75 0.63 -0.38 1.72 0.87 -0.55 -0.03 113.55 116.55 3a1e h SER 583 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3a1e h SER 583 Cb 0.47 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3a1e h SER 583 CO 0.02 0.44 0.24 0.03 -0.53 0.00 0.00 176.83 177.03 3a1e h ARG 584 N 0.76 0.51 -0.40 2.24 3.08 -0.94 -0.31 114.38 119.32 3a1e h ARG 584 Ca 0.25 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 3a1e h ARG 584 Cb 0.02 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3a1e h ARG 584 CO -0.10 0.36 0.16 1.49 -1.07 0.00 0.00 179.97 180.80 3a1e h GLU 585 N 0.51 0.60 -0.01 0.04 4.57 -0.84 -3.01 114.58 116.44 3a1e h GLU 585 Ca 0.14 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3a1e h GLU 585 Cb -0.03 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 3a1e h GLU 585 CO -0.03 0.57 -0.05 1.28 -1.18 0.00 0.00 179.01 179.60 3a1e n LEU 586 N -4.64 0.91 -3.67 1.64 4.77 -0.07 -4.94 117.00 110.99 3a1e n LEU 586 Ca -0.00 -0.26 -0.24 0.00 -0.03 0.00 0.00 56.01 55.48 3a1e n LEU 586 Cb 0.15 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 3a1e n LEU 586 CO 0.37 0.16 0.13 0.59 -1.33 0.00 0.00 177.39 177.30 3a1e n ASN 587 N -0.41 -4.19 -4.77 -1.43 3.02 -0.23 -4.83 115.26 102.43 3a1e n ASN 587 Ca 0.18 -0.67 -0.34 0.00 -0.03 0.00 0.00 54.58 53.72 3a1e n ASN 587 Cb 0.28 -4.56 0.02 0.00 -0.61 0.00 0.00 39.78 34.91 3a1e n ASN 587 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3a1e s LEU 588 N -7.01 3.62 0.30 3.41 1.02 -0.57 -4.93 118.68 114.51 3a1e s LEU 588 Ca 0.39 2.13 0.16 0.00 0.02 0.00 0.00 54.13 56.83 3a1e s LEU 588 Cb -0.18 -4.57 0.20 0.00 0.02 0.00 0.00 46.19 41.66 3a1e s LEU 588 CO 0.77 -1.39 1.51 0.44 0.02 0.00 0.00 176.35 177.70 3a1e h ASP 589 N 0.77 0.00 -5.01 2.29 5.19 -0.21 -3.47 116.42 115.98 3a1e h ASP 589 Ca -0.49 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 55.88 3a1e h ASP 589 Cb 1.26 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.62 3a1e h ASP 589 CO 0.56 0.49 0.13 -1.48 -3.12 0.00 0.00 179.24 175.82 3a1e s LEU 590 N -6.59 -0.35 -0.05 1.55 0.05 -1.13 -4.99 118.68 107.17 3a1e s LEU 590 Ca 0.03 0.15 -0.04 0.00 0.05 0.00 0.00 54.13 54.31 3a1e s LEU 590 Cb 0.08 2.38 0.02 0.00 -2.05 0.00 0.00 46.19 46.62 3a1e s LEU 590 CO 0.73 -0.82 0.14 0.54 -0.55 0.00 0.00 176.35 176.39 3a1e s VAL 591 N -2.93 -0.01 -0.13 1.48 0.11 -1.26 -2.76 120.40 114.91 3a1e s VAL 591 Ca -0.03 0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 3a1e s VAL 591 Cb -0.00 -0.20 0.04 0.00 -1.53 0.00 0.00 36.38 34.68 3a1e s VAL 591 CO -0.06 0.01 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.06 3a1e s ILE 592 N 0.23 0.82 0.44 7.04 1.01 0.02 -4.97 121.20 125.78 3a1e s ILE 592 Ca -0.01 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.35 3a1e s ILE 592 Cb -0.02 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 3a1e s ILE 592 CO -0.01 0.19 0.13 0.00 0.00 0.00 0.00 174.94 175.26 3a1e n ALA 593 N 4.99 0.58 -3.76 9.38 0.00 -1.26 -1.07 120.51 129.37 3a1e n ALA 593 Ca -0.10 -2.20 -0.28 0.00 0.00 0.00 0.00 53.44 50.86 3a1e n ALA 593 Cb 0.49 1.44 -0.03 0.00 0.00 0.00 0.00 19.45 21.35 3a1e n ALA 593 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3a1e n GLU 594 N -1.01 -2.43 -2.23 0.00 1.02 0.34 -4.87 120.64 111.46 3a1e n GLU 594 Ca -0.08 0.27 -0.42 0.00 -0.02 0.00 0.00 57.16 56.91 3a1e n GLU 594 Cb 0.64 -4.91 -0.03 0.00 -0.02 0.00 0.00 31.44 27.13 3a1e n GLU 594 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3a1e s VAL 595 N -2.94 3.62 0.74 2.62 1.01 -0.99 -4.96 120.40 119.50 3a1e s VAL 595 Ca 0.54 1.09 -0.12 0.00 0.00 0.00 0.00 61.98 63.48 3a1e s VAL 595 Cb -0.30 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.42 3a1e s VAL 595 CO 0.66 0.03 1.11 -0.76 0.00 0.00 0.00 175.10 176.15 3a1e s LEU 596 N 1.85 3.17 0.07 3.92 1.43 -1.26 -4.46 118.68 123.40 3a1e s LEU 596 Ca 0.63 1.96 -0.37 0.00 -1.03 0.00 0.00 54.13 55.32 3a1e s LEU 596 Cb -0.33 -4.54 -0.18 0.00 0.03 0.00 0.00 46.19 41.17 3a1e s LEU 596 CO 0.28 -1.99 1.23 -2.65 0.23 0.00 0.00 176.35 173.45 3a1e n PRO 597 N -3.11 0.77 -0.91 1.29 -0.02 -1.26 -1.48 135.00 130.27 3a1e n PRO 597 Ca 0.10 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3a1e n PRO 597 Cb 0.52 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3a1e n PRO 597 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3a1e n HIS 598 N 2.09 0.00 1.34 6.00 8.25 -1.26 -4.89 115.22 126.75 3a1e n HIS 598 Ca 0.19 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.78 3a1e n HIS 598 Cb 0.16 -0.51 0.39 0.00 1.12 0.00 0.00 29.99 31.15 3a1e n HIS 598 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3a1e n GLN 599 N -1.92 1.82 -0.33 -0.41 1.13 -0.55 -4.32 117.38 112.80 3a1e n GLN 599 Ca 0.00 -1.22 -0.04 0.00 -1.94 0.00 0.00 57.00 53.80 3a1e n GLN 599 Cb 0.06 -1.47 0.09 0.00 0.11 0.00 0.00 30.24 29.02 3a1e n GLN 599 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 3a1e h LYS 600 N 2.99 1.25 -0.97 -1.09 1.57 -1.90 -1.35 116.57 117.07 3a1e h LYS 600 Ca 0.00 -0.14 0.09 0.00 -1.87 0.00 0.00 60.65 58.73 3a1e h LYS 600 Cb 0.65 -0.25 -0.07 0.00 0.08 0.00 0.00 32.23 32.64 3a1e h LYS 600 CO 0.00 0.91 0.62 0.77 -0.57 0.00 0.00 179.45 181.18 3a1e h SER 601 N 1.26 0.93 0.34 0.86 0.02 -1.88 -0.52 113.55 114.55 3a1e h SER 601 Ca 0.32 0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 61.13 3a1e h SER 601 Cb 0.02 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3a1e h SER 601 CO -0.05 0.54 -0.67 -0.08 -1.14 0.00 0.00 176.83 175.43 3a1e h GLU 602 N 1.02 0.30 -0.51 3.45 4.57 -1.54 0.47 114.58 122.34 3a1e h GLU 602 Ca 0.45 -0.23 -0.13 0.00 -1.18 0.00 0.00 59.36 58.27 3a1e h GLU 602 Cb 0.35 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 3a1e h GLU 602 CO -0.20 0.86 -0.17 0.93 -1.18 0.00 0.00 179.01 179.25 3a1e h GLU 603 N 0.21 1.03 -0.47 1.92 4.39 -0.75 -1.53 114.58 119.38 3a1e h GLU 603 Ca -0.02 -0.42 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 3a1e h GLU 603 Cb 1.22 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 3a1e h GLU 603 CO 0.11 1.10 0.26 0.28 -1.16 0.00 0.00 179.01 179.60 3a1e h VAL 604 N 0.89 1.17 -0.88 3.13 2.07 -0.87 -2.60 116.25 119.16 3a1e h VAL 604 Ca 0.12 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3a1e h VAL 604 Cb 0.75 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3a1e h VAL 604 CO 0.06 0.18 0.57 0.50 0.02 0.00 0.00 177.57 178.89 3a1e h LYS 605 N 0.62 1.17 -0.47 1.57 3.64 -0.69 -0.98 116.57 121.43 3a1e h LYS 605 Ca 0.16 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3a1e h LYS 605 Cb 0.05 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 3a1e h LYS 605 CO -0.03 0.79 0.26 -0.22 -2.27 0.00 0.00 179.45 177.98 3a1e h LYS 606 N 1.20 0.65 -0.39 1.90 3.11 -1.18 -2.52 116.57 119.34 3a1e h LYS 606 Ca 0.32 -0.08 -0.01 0.00 -2.81 0.00 0.00 60.65 58.08 3a1e h LYS 606 Cb -0.11 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 30.97 3a1e h LYS 606 CO -0.07 0.52 0.21 -0.07 -2.81 0.00 0.00 179.45 177.23 3a1e h LEU 607 N 0.62 0.46 0.00 5.20 3.38 -0.97 -2.84 115.31 121.16 3a1e h LEU 607 Ca 0.16 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3a1e h LEU 607 Cb 0.05 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3a1e h LEU 607 CO -0.03 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.88 3a1e n GLN 608 N -4.44 0.02 0.13 1.13 6.02 -0.44 -1.14 117.38 118.66 3a1e n GLN 608 Ca 0.03 0.29 0.03 0.00 -0.01 0.00 0.00 57.00 57.34 3a1e n GLN 608 Cb 0.10 -1.50 0.43 0.00 1.02 0.00 0.00 30.24 30.28 3a1e n GLN 608 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a1e h ALA 609 N 2.41 1.59 0.00 -1.58 0.00 -1.52 -3.32 119.26 116.84 3a1e h ALA 609 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3a1e h ALA 609 Cb 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3a1e h ALA 609 CO 0.00 0.30 -0.85 1.63 0.00 0.00 0.00 179.25 180.33 3a1e n LYS 610 N -4.32 1.21 -4.33 0.00 5.02 -0.93 -5.08 118.16 109.72 3a1e n LYS 610 Ca -0.01 -0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.03 3a1e n LYS 610 Cb 0.23 -0.93 -0.12 0.00 -0.02 0.00 0.00 35.03 34.19 3a1e n LYS 610 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3a1e s GLU 611 N -1.86 1.26 -0.41 1.97 0.41 -0.30 -5.09 118.70 114.68 3a1e s GLU 611 Ca -0.00 -1.28 -0.20 0.00 -0.41 0.00 0.00 54.97 53.08 3a1e s GLU 611 Cb 0.00 -1.57 0.02 0.00 -1.78 0.00 0.00 34.13 30.80 3a1e s GLU 611 CO 0.02 0.36 0.61 0.08 -0.49 0.00 0.00 175.26 175.84 3a1e s VAL 612 N -1.29 4.88 -0.22 2.63 1.01 -1.26 -4.20 120.40 121.94 3a1e s VAL 612 Ca 0.11 0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 3a1e s VAL 612 Cb -0.09 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 3a1e s VAL 612 CO 0.06 -0.49 0.05 -0.69 0.00 0.00 0.00 175.10 174.03 3a1e s VAL 613 N 2.71 4.38 -0.21 2.92 1.01 -1.26 -0.60 120.40 129.35 3a1e s VAL 613 Ca 0.22 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.90 3a1e s VAL 613 Cb -0.14 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 3a1e s VAL 613 CO 0.17 0.40 0.30 0.00 0.00 0.00 0.00 175.10 175.97 3a1e s ALA 614 N 1.06 3.58 -0.20 5.51 0.00 -0.36 -0.92 121.76 130.44 3a1e s ALA 614 Ca 0.04 -0.65 -0.06 0.00 0.00 0.00 0.00 51.96 51.28 3a1e s ALA 614 Cb -0.14 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.45 3a1e s ALA 614 CO 0.03 -0.22 0.04 0.12 0.00 0.00 0.00 175.76 175.73 3a1e s PHE 615 N 1.13 3.13 -0.25 0.00 5.36 -0.48 -0.44 117.98 126.44 3a1e s PHE 615 Ca 0.15 -0.20 -0.05 0.00 -0.96 0.00 0.00 56.93 55.86 3a1e s PHE 615 Cb -0.14 -2.11 -0.00 0.00 -0.34 0.00 0.00 43.02 40.43 3a1e s PHE 615 CO 0.06 -0.09 0.01 0.08 -1.46 0.00 0.00 175.22 173.82 3a1e s VAL 616 N 0.84 3.62 0.00 3.12 1.01 0.39 -0.89 120.40 128.50 3a1e s VAL 616 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3a1e s VAL 616 Cb -0.14 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.49 3a1e s VAL 616 CO 0.02 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.01 3a1e n GLY 617 N 4.82 4.03 0.08 4.51 0.00 -0.28 -0.43 105.19 117.93 3a1e n GLY 617 Ca -0.17 -1.35 0.12 0.00 0.00 0.00 0.00 46.02 44.62 3a1e n GLY 617 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3a1e h ASP 618 N 0.00 0.00 0.00 1.61 3.04 -1.80 -0.14 116.42 119.13 3a1e h ASP 618 Ca 0.00 -0.16 0.00 0.00 -3.24 0.00 0.00 57.03 53.63 3a1e h ASP 618 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3a1e h ASP 618 CO 0.00 0.08 0.00 0.61 -2.04 0.00 0.00 179.24 177.89 3a1e n GLY 619 N 1.30 1.17 0.79 7.15 0.00 -1.26 -4.50 105.19 109.85 3a1e n GLY 619 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 3a1e n GLY 619 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3a1e n ILE 620 N -2.00 0.82 1.14 -0.61 2.08 -1.26 -1.62 119.36 117.90 3a1e n ILE 620 Ca 0.00 0.10 0.12 0.00 0.56 0.00 0.00 62.75 63.53 3a1e n ILE 620 Cb 0.00 -1.68 0.22 0.00 -0.75 0.00 0.00 39.64 37.42 3a1e n ILE 620 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3a1e n ASN 621 N -3.52 1.33 -2.25 4.38 4.13 -1.26 -4.33 115.26 113.74 3a1e n ASN 621 Ca -0.09 -1.07 -0.03 0.00 1.68 0.00 0.00 54.58 55.07 3a1e n ASN 621 Cb 0.39 0.30 0.05 0.00 -1.54 0.00 0.00 39.78 38.98 3a1e n ASN 621 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3a1e n ASP 622 N -0.53 2.05 -0.23 6.41 5.68 -1.26 -4.91 116.55 123.76 3a1e n ASP 622 Ca 0.10 -2.45 -0.01 0.00 -0.50 0.00 0.00 54.79 51.93 3a1e n ASP 622 Cb 0.39 -0.42 0.19 0.00 -1.14 0.00 0.00 41.12 40.14 3a1e n ASP 622 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a1e h ALA 623 N 2.07 1.33 -0.75 2.12 0.00 -1.83 -2.51 119.26 119.70 3a1e h ALA 623 Ca -0.06 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3a1e h ALA 623 Cb 1.43 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3a1e h ALA 623 CO 0.25 0.55 0.49 -1.35 0.00 0.00 0.00 179.25 179.19 3a1e h PRO 624 N 1.03 0.93 -0.57 0.00 0.11 -1.95 0.32 132.00 131.88 3a1e h PRO 624 Ca 0.26 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.28 3a1e h PRO 624 Cb 0.01 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.89 3a1e h PRO 624 CO -0.04 0.62 0.20 0.00 -0.21 0.00 0.00 178.00 178.56 3a1e h ALA 625 N 1.30 0.74 -0.79 -0.75 0.00 -1.86 0.29 119.26 118.19 3a1e h ALA 625 Ca 0.29 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3a1e h ALA 625 Cb -0.03 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 3a1e h ALA 625 CO -0.09 0.39 0.50 -0.07 0.00 0.00 0.00 179.25 179.97 3a1e h LEU 626 N 0.79 0.82 -0.48 0.00 3.38 -1.11 -1.25 115.31 117.47 3a1e h LEU 626 Ca 0.19 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 3a1e h LEU 626 Cb 0.25 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3a1e h LEU 626 CO -0.01 0.56 0.05 0.00 0.09 0.00 0.00 178.44 179.13 3a1e h ALA 627 N 1.34 0.64 -0.56 1.53 0.00 -0.46 -3.14 119.26 118.60 3a1e h ALA 627 Ca 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3a1e h ALA 627 Cb 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3a1e h ALA 627 CO -0.12 0.39 0.26 0.37 0.00 0.00 0.00 179.25 180.16 3a1e h GLN 628 N 0.67 0.80 -6.87 0.00 5.75 -0.70 -3.45 115.11 111.32 3a1e h GLN 628 Ca 0.14 -0.12 -0.57 0.00 -0.15 0.00 0.00 58.65 57.95 3a1e h GLN 628 Cb 0.44 -0.14 0.17 0.00 1.07 0.00 0.00 27.48 29.01 3a1e h GLN 628 CO 0.02 0.66 0.15 0.00 -2.65 0.00 0.00 178.83 177.00 3a1e n ALA 629 N -2.33 0.19 -0.32 3.38 0.00 -0.49 -4.91 120.51 116.03 3a1e n ALA 629 Ca 0.03 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.48 3a1e n ALA 629 Cb 0.12 -2.13 0.21 0.00 0.00 0.00 0.00 19.45 17.66 3a1e n ALA 629 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3a1e h ASP 630 N 0.36 0.96 -3.25 0.00 5.19 -1.33 -3.40 116.42 114.95 3a1e h ASP 630 Ca -0.49 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 55.46 3a1e h ASP 630 Cb 1.36 -0.20 -0.38 0.00 0.18 0.00 0.00 39.33 40.28 3a1e h ASP 630 CO 0.50 0.63 -0.77 -0.22 -3.12 0.00 0.00 179.24 176.26 3a1e s LEU 631 N -10.05 0.79 -0.24 1.55 2.96 -0.81 -5.00 118.68 107.87 3a1e s LEU 631 Ca -0.12 -0.27 -0.11 0.00 -0.22 0.00 0.00 54.13 53.41 3a1e s LEU 631 Cb 0.20 -0.52 -0.05 0.00 0.50 0.00 0.00 46.19 46.32 3a1e s LEU 631 CO 0.80 -0.21 0.20 -0.83 -1.32 0.00 0.00 176.35 174.99 3a1e s GLY 632 N 1.92 1.98 -0.18 7.98 0.00 -1.25 -1.38 107.32 116.39 3a1e s GLY 632 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.88 3a1e s GLY 632 CO -0.06 0.50 -0.18 -0.42 0.00 0.00 0.00 173.10 172.93 3a1e s ILE 633 N 1.23 2.24 -0.03 0.90 1.01 -0.07 0.10 121.20 126.58 3a1e s ILE 633 Ca 0.09 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 59.71 3a1e s ILE 633 Cb -0.14 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 3a1e s ILE 633 CO 0.06 0.53 0.39 0.00 0.00 0.00 0.00 174.94 175.92 3a1e s ALA 634 N 1.27 3.67 -0.02 9.38 0.00 -0.14 -1.12 121.76 134.80 3a1e s ALA 634 Ca 0.04 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 51.79 3a1e s ALA 634 Cb -0.13 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 3a1e s ALA 634 CO -0.11 0.40 -0.15 0.08 0.00 0.00 0.00 175.76 175.98 3a1e s VAL 635 N -0.74 2.99 -0.44 0.00 1.01 -0.06 -0.19 120.40 122.96 3a1e s VAL 635 Ca 0.23 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 3a1e s VAL 635 Cb -0.16 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.03 3a1e s VAL 635 CO 0.12 0.51 0.39 0.61 0.00 0.00 0.00 175.10 176.73 3a1e n GLY 636 N 2.07 0.45 0.20 4.51 0.00 -0.42 -4.67 105.19 107.32 3a1e n GLY 636 Ca -0.17 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.54 3a1e n GLY 636 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a1e h SER 637 N -0.88 0.00 -3.09 1.61 4.64 -1.20 -3.47 113.55 111.17 3a1e h SER 637 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3a1e h SER 637 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3a1e h SER 637 CO 0.18 0.34 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 3a1e n GLY 638 N -0.23 -1.78 0.03 -0.77 0.00 -0.52 -4.34 105.19 97.59 3a1e n GLY 638 Ca -0.01 -1.32 0.13 0.00 0.00 0.00 0.00 46.02 44.81 3a1e n GLY 638 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a1e n SER 639 N 0.05 0.24 -4.55 1.61 3.41 -1.26 -4.58 113.62 108.54 3a1e n SER 639 Ca 0.00 0.53 -0.37 0.00 -0.26 0.00 0.00 58.87 58.77 3a1e n SER 639 Cb 0.00 -0.59 -0.11 0.00 -0.26 0.00 0.00 64.21 63.25 3a1e n SER 639 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a1e s ASP 640 N -3.45 5.67 -0.16 4.04 2.15 -1.26 -4.98 116.67 118.68 3a1e s ASP 640 Ca 0.12 -0.06 0.17 0.00 0.43 0.00 0.00 52.55 53.21 3a1e s ASP 640 Cb 0.16 -2.03 0.43 0.00 -0.30 0.00 0.00 42.92 41.17 3a1e s ASP 640 CO 0.51 -0.01 1.31 1.33 -0.17 0.00 0.00 175.17 178.14 3a1e n VAL 641 N 4.79 2.11 -0.22 1.11 0.24 -1.26 -4.75 118.33 120.36 3a1e n VAL 641 Ca -0.15 -2.02 -0.06 0.00 -2.04 0.00 0.00 64.34 60.06 3a1e n VAL 641 Cb 0.52 -0.24 0.04 0.00 -1.47 0.00 0.00 33.84 32.69 3a1e n VAL 641 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a1e h ALA 642 N 1.07 0.78 0.00 2.33 0.00 -1.97 -3.33 119.26 118.13 3a1e h ALA 642 Ca 0.00 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 3a1e h ALA 642 Cb 1.25 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3a1e h ALA 642 CO 0.13 0.28 -2.01 1.33 0.00 0.00 0.00 179.25 178.98 3a1e n VAL 643 N -4.58 0.76 -2.20 0.00 0.24 -1.26 -4.95 118.33 106.34 3a1e n VAL 643 Ca 0.04 -0.67 -0.42 0.00 -2.04 0.00 0.00 64.34 61.25 3a1e n VAL 643 Cb 0.08 -0.32 -0.03 0.00 -1.47 0.00 0.00 33.84 32.10 3a1e n VAL 643 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3a1e s GLU 644 N -3.02 4.33 0.62 7.34 8.01 -1.25 -4.87 118.70 129.86 3a1e s GLU 644 Ca -0.08 2.04 -0.05 0.00 0.01 0.00 0.00 54.97 56.89 3a1e s GLU 644 Cb 0.10 -3.27 0.03 0.00 -4.31 0.00 0.00 34.13 26.68 3a1e s GLU 644 CO 0.86 -0.42 0.92 -1.12 0.01 0.00 0.00 175.26 175.50 3a1e s SER 645 N 1.13 5.27 0.00 -0.19 0.01 -0.64 -5.04 113.70 114.24 3a1e s SER 645 Ca 0.64 0.51 0.00 0.00 1.31 0.00 0.00 55.95 58.41 3a1e s SER 645 Cb -0.36 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 64.50 3a1e s SER 645 CO 0.30 -1.26 0.00 0.61 0.41 0.00 0.00 173.24 173.30 3a1e n GLY 646 N -2.66 3.60 0.10 3.44 0.00 -1.26 -4.34 105.19 104.06 3a1e n GLY 646 Ca 0.06 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.16 3a1e n GLY 646 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3a1e h ASP 647 N 0.00 0.20 -3.76 1.61 5.19 -0.69 -3.44 116.42 115.52 3a1e h ASP 647 Ca 0.00 -0.19 -0.45 0.00 -0.62 0.00 0.00 57.03 55.77 3a1e h ASP 647 Cb 0.00 -0.06 -0.31 0.00 0.18 0.00 0.00 39.33 39.13 3a1e h ASP 647 CO 0.00 1.08 -0.80 -0.63 -3.12 0.00 0.00 179.24 175.77 3a1e s ILE 648 N -2.91 0.89 -0.12 0.35 1.01 -0.79 -1.21 121.20 118.42 3a1e s ILE 648 Ca -0.02 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.26 3a1e s ILE 648 Cb 0.09 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.77 3a1e s ILE 648 CO 0.84 0.28 -0.22 -0.69 0.00 0.00 0.00 174.94 175.14 3a1e s VAL 649 N 0.26 2.03 -0.22 2.92 1.01 0.30 -0.96 120.40 125.74 3a1e s VAL 649 Ca -0.05 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 3a1e s VAL 649 Cb -0.10 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3a1e s VAL 649 CO 0.01 0.55 0.09 -0.76 0.00 0.00 0.00 175.10 174.99 3a1e s LEU 650 N 0.66 3.78 0.12 3.92 1.43 0.73 -0.12 118.68 129.20 3a1e s LEU 650 Ca -0.11 -0.00 -0.19 0.00 -1.03 0.00 0.00 54.13 52.80 3a1e s LEU 650 Cb -0.16 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 3a1e s LEU 650 CO 0.02 0.08 1.74 0.40 0.23 0.00 0.00 176.35 178.82 3a1e h ILE 651 N 5.13 1.11 -3.99 -0.59 1.08 -1.57 -0.91 117.51 117.77 3a1e h ILE 651 Ca -0.37 -0.26 -0.49 0.00 -0.39 0.00 0.00 64.86 63.34 3a1e h ILE 651 Cb 1.17 0.79 0.06 0.00 -3.07 0.00 0.00 36.82 35.77 3a1e h ILE 651 CO 0.64 0.10 0.27 -0.13 -0.69 0.00 0.00 178.15 178.35 3a1e s ARG 652 N -5.96 3.24 0.20 2.37 0.52 -1.26 -1.44 118.95 116.63 3a1e s ARG 652 Ca -0.13 0.34 0.25 0.00 -0.52 0.00 0.00 55.73 55.67 3a1e s ARG 652 Cb 0.09 -2.19 0.67 0.00 0.52 0.00 0.00 34.95 34.03 3a1e s ARG 652 CO 0.71 -0.61 1.65 -0.44 0.02 0.00 0.00 175.30 176.63 3a1e h ASP 653 N -0.22 0.00 -2.18 0.23 3.32 -1.90 -1.76 116.42 113.93 3a1e h ASP 653 Ca -0.45 -0.05 -0.57 0.00 0.02 0.00 0.00 57.03 55.98 3a1e h ASP 653 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3a1e h ASP 653 CO 0.62 0.02 1.39 -0.62 -1.72 0.00 0.00 179.24 178.93 3a1e s ASP 654 N -4.56 5.80 0.52 6.45 -1.08 -1.26 -4.85 116.67 117.69 3a1e s ASP 654 Ca 0.09 2.06 0.34 0.00 -0.52 0.00 0.00 52.55 54.53 3a1e s ASP 654 Cb 0.12 -2.52 1.54 0.00 -1.46 0.00 0.00 42.92 40.60 3a1e s ASP 654 CO 0.63 -1.66 2.01 -0.07 0.52 0.00 0.00 175.17 176.61 3a1e h LEU 655 N 13.58 0.00 -0.84 -1.34 3.38 -1.90 -1.24 115.31 126.95 3a1e h LEU 655 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3a1e h LEU 655 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3a1e h LEU 655 CO 0.96 0.00 0.00 0.54 0.09 0.00 0.00 178.44 180.03 3a1e n ARG 656 N -2.91 0.17 0.20 1.13 1.74 -1.26 -1.57 116.66 114.15 3a1e n ARG 656 Ca -0.00 0.47 0.06 0.00 -0.77 0.00 0.00 57.85 57.61 3a1e n ARG 656 Cb 0.23 -1.87 0.40 0.00 -1.02 0.00 0.00 32.46 30.20 3a1e n ARG 656 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3a1e h ASP 657 N 0.00 0.00 -0.37 0.55 3.45 -1.61 -0.71 116.42 117.73 3a1e h ASP 657 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 3a1e h ASP 657 Cb 0.27 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.02 3a1e h ASP 657 CO 0.00 0.34 0.18 0.58 -1.57 0.00 0.00 179.24 178.77 3a1e h VAL 658 N 0.00 1.16 -0.55 -1.35 2.07 -1.47 -0.85 116.25 115.26 3a1e h VAL 658 Ca -0.00 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3a1e h VAL 658 Cb 0.74 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3a1e h VAL 658 CO 0.04 0.17 0.33 0.58 0.02 0.00 0.00 177.57 178.72 3a1e h VAL 659 N 0.47 1.17 -0.84 2.57 2.07 -1.54 -2.33 116.25 117.81 3a1e h VAL 659 Ca 0.13 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3a1e h VAL 659 Cb 0.11 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 3a1e h VAL 659 CO -0.02 0.17 0.45 0.00 0.02 0.00 0.00 177.57 178.20 3a1e h ALA 660 N 1.16 1.08 -0.32 1.67 0.00 -0.85 0.14 119.26 122.14 3a1e h ALA 660 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3a1e h ALA 660 Cb -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3a1e h ALA 660 CO -0.04 0.59 0.21 0.00 0.00 0.00 0.00 179.25 180.02 3a1e h ALA 661 N 1.24 0.41 -0.45 0.00 0.00 -0.86 -0.59 119.26 119.02 3a1e h ALA 661 Ca 0.30 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 3a1e h ALA 661 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3a1e h ALA 661 CO -0.05 -0.12 -0.18 0.82 0.00 0.00 0.00 179.25 179.72 3a1e h ILE 662 N 0.43 1.27 -0.29 0.00 2.04 -1.02 -2.06 117.51 117.88 3a1e h ILE 662 Ca 0.12 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 3a1e h ILE 662 Cb -0.04 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3a1e h ILE 662 CO -0.02 0.45 0.12 1.56 0.00 0.00 0.00 178.15 180.26 3a1e h GLN 663 N 0.76 0.40 -0.31 2.37 4.20 -0.59 -1.25 115.11 120.69 3a1e h GLN 663 Ca 0.11 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 3a1e h GLN 663 Cb 0.75 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 3a1e h GLN 663 CO 0.06 0.34 -0.35 1.25 -0.67 0.00 0.00 178.83 179.45 3a1e h LEU 664 N 0.41 0.72 -0.38 1.46 5.85 -0.85 -0.89 115.31 121.63 3a1e h LEU 664 Ca 0.10 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.47 3a1e h LEU 664 Cb 0.08 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3a1e h LEU 664 CO -0.01 1.01 0.04 0.77 -0.34 0.00 0.00 178.44 179.91 3a1e h SER 665 N 0.58 0.62 0.31 1.25 4.64 -0.62 -1.00 113.55 119.33 3a1e h SER 665 Ca 0.06 -0.27 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 3a1e h SER 665 Cb 0.87 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3a1e h SER 665 CO 0.08 0.74 -0.15 0.03 -0.87 0.00 0.00 176.83 176.65 3a1e h ARG 666 N 0.48 -0.40 -0.75 4.77 3.08 -1.11 0.82 114.38 121.26 3a1e h ARG 666 Ca 0.11 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3a1e h ARG 666 Cb 0.39 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 3a1e h ARG 666 CO 0.01 -0.26 0.44 -0.22 -1.07 0.00 0.00 179.97 178.87 3a1e h LYS 667 N -0.42 1.03 -0.19 0.04 3.64 -1.20 -2.17 116.57 117.29 3a1e h LYS 667 Ca -0.04 -0.10 -0.16 0.00 -1.27 0.00 0.00 60.65 59.09 3a1e h LYS 667 Cb 0.32 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3a1e h LYS 667 CO 0.07 0.73 -0.50 1.15 -2.27 0.00 0.00 179.45 178.63 3a1e h THR 668 N 1.04 1.32 0.00 1.00 2.02 -1.05 -3.26 112.91 113.97 3a1e h THR 668 Ca 0.27 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.72 3a1e h THR 668 Cb -0.02 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 3a1e h THR 668 CO -0.05 0.54 0.00 0.23 0.37 0.00 0.00 175.52 176.61 3a1e n MET 669 N -4.16 0.25 0.00 6.66 2.81 0.27 -5.08 117.12 117.86 3a1e n MET 669 Ca -0.06 0.31 0.13 0.00 -1.81 0.00 0.00 57.70 56.26 3a1e n MET 669 Cb 0.59 -1.85 0.26 0.00 -0.71 0.00 0.00 33.22 31.52 3a1e n MET 669 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35