#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1c s GLU 401 N 0.00 4.03 0.18 0.00 2.02 -1.26 -5.03 118.70 118.63 3a1c s GLU 401 Ca 0.00 0.58 -0.33 0.00 0.02 0.00 0.00 54.97 55.25 3a1c s GLU 401 Cb 0.00 -2.80 -0.16 0.00 0.10 0.00 0.00 34.13 31.27 3a1c s GLU 401 CO 0.00 0.38 1.16 -0.11 0.02 0.00 0.00 175.26 176.72 3a1c n LEU 402 N 0.47 1.57 -3.52 1.80 7.94 -1.26 -4.69 117.00 119.31 3a1c n LEU 402 Ca -0.02 1.14 -0.14 0.00 -1.11 0.00 0.00 56.01 55.88 3a1c n LEU 402 Cb 0.52 -1.22 -0.12 0.00 0.53 0.00 0.00 43.42 43.13 3a1c n LEU 402 CO 0.43 -1.29 -0.13 -0.83 -1.11 0.00 0.00 177.39 174.46 3a1c s GLY 403 N -0.01 -0.16 -0.37 -3.96 0.00 -1.26 -5.03 107.32 96.53 3a1c s GLY 403 Ca 0.73 0.71 -0.03 0.00 0.00 0.00 0.00 44.72 46.12 3a1c s GLY 403 CO 0.52 2.23 0.14 -0.42 0.00 0.00 0.00 173.10 175.58 3a1c s ILE 404 N 2.43 3.30 -0.44 0.90 1.01 -1.26 -1.69 121.20 125.44 3a1c s ILE 404 Ca 0.06 -1.74 -0.20 0.00 0.00 0.00 0.00 60.65 58.77 3a1c s ILE 404 Cb -0.14 -3.11 0.03 0.00 0.01 0.00 0.00 42.46 39.24 3a1c s ILE 404 CO -0.12 -0.47 0.60 -0.22 0.00 0.00 0.00 174.94 174.74 3a1c s LEU 405 N 1.21 4.62 -0.28 2.97 2.96 0.26 -4.95 118.68 125.47 3a1c s LEU 405 Ca 0.03 -0.47 -0.21 0.00 -0.22 0.00 0.00 54.13 53.27 3a1c s LEU 405 Cb -0.22 -2.63 -0.01 0.00 0.50 0.00 0.00 46.19 43.83 3a1c s LEU 405 CO -0.02 -0.76 0.64 -0.63 -1.32 0.00 0.00 176.35 174.26 3a1c s ILE 406 N 2.67 4.95 -1.30 6.68 -1.09 -1.26 -0.72 121.20 131.13 3a1c s ILE 406 Ca 0.20 1.03 0.17 0.00 -2.23 0.00 0.00 60.65 59.82 3a1c s ILE 406 Cb -0.15 -3.98 -0.07 0.00 -1.58 0.00 0.00 42.46 36.69 3a1c s ILE 406 CO 0.17 -0.06 0.83 0.29 -1.23 0.00 0.00 174.94 174.94 3a1c n LYS 407 N 5.81 1.59 -3.70 2.79 5.02 -0.13 -4.91 118.16 124.63 3a1c n LYS 407 Ca -0.00 -0.55 -0.18 0.00 -2.02 0.00 0.00 58.31 55.56 3a1c n LYS 407 Cb 0.49 -1.30 -0.17 0.00 -0.02 0.00 0.00 35.03 34.03 3a1c n LYS 407 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3a1c s ASN 408 N -2.20 0.80 0.66 4.39 3.04 -1.24 -5.03 114.94 115.36 3a1c s ASN 408 Ca 0.11 0.09 0.43 0.00 0.04 0.00 0.00 52.86 53.54 3a1c s ASN 408 Cb 0.13 -0.09 2.32 0.00 -1.54 0.00 0.00 41.25 42.08 3a1c s ASN 408 CO 0.52 -0.21 2.34 0.00 -3.04 0.00 0.00 177.10 176.70 3a1c h ALA 409 N 8.10 1.01 -0.49 1.71 0.00 -1.94 -0.92 119.26 126.73 3a1c h ALA 409 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3a1c h ALA 409 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3a1c h ALA 409 CO 0.24 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.10 3a1c n ASP 410 N -3.10 3.36 -0.33 0.00 5.75 -1.26 -4.58 116.55 116.38 3a1c n ASP 410 Ca -0.03 -1.97 0.02 0.00 -0.01 0.00 0.00 54.79 52.80 3a1c n ASP 410 Cb 0.09 -0.33 0.16 0.00 -1.03 0.00 0.00 41.12 40.02 3a1c n ASP 410 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a1c h ALA 411 N 3.24 1.28 0.00 2.12 0.00 -1.52 -1.56 119.26 122.82 3a1c h ALA 411 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3a1c h ALA 411 Cb 0.85 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3a1c h ALA 411 CO 0.00 0.33 -0.62 -0.07 0.00 0.00 0.00 179.25 178.89 3a1c h LEU 412 N 1.04 0.00 -0.24 0.00 3.38 -1.81 -0.05 115.31 117.64 3a1c h LEU 412 Ca 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 3a1c h LEU 412 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3a1c h LEU 412 CO -0.18 0.62 0.13 -0.08 0.09 0.00 0.00 178.44 179.02 3a1c h GLU 413 N 0.00 0.34 -0.37 1.13 4.81 -1.72 -2.17 114.58 116.60 3a1c h GLU 413 Ca -0.01 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3a1c h GLU 413 Cb 1.32 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 3a1c h GLU 413 CO 0.08 0.33 0.09 0.28 -0.73 0.00 0.00 179.01 179.06 3a1c h VAL 414 N 0.27 1.22 -0.98 0.32 2.07 -1.21 -3.09 116.25 114.86 3a1c h VAL 414 Ca 0.08 -0.76 0.18 0.00 0.82 0.00 0.00 66.70 67.03 3a1c h VAL 414 Cb 0.09 1.02 -0.11 0.00 -1.52 0.00 0.00 31.29 30.77 3a1c h VAL 414 CO -0.01 0.26 0.58 0.00 0.02 0.00 0.00 177.57 178.41 3a1c h ALA 415 N 0.94 1.60 -0.63 1.67 0.00 -0.86 0.39 119.26 122.37 3a1c h ALA 415 Ca 0.12 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.22 3a1c h ALA 415 Cb 0.30 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3a1c h ALA 415 CO 0.00 -0.06 0.43 1.49 0.00 0.00 0.00 179.25 181.10 3a1c h GLU 416 N 0.73 0.38 -0.01 0.00 4.81 -1.30 -2.84 114.58 116.35 3a1c h GLU 416 Ca 0.56 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 3a1c h GLU 416 Cb 0.87 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3a1c h GLU 416 CO -0.39 0.25 -0.57 1.63 -0.73 0.00 0.00 179.01 179.21 3a1c n LYS 417 N -4.47 0.49 -1.70 1.92 5.02 0.08 -4.97 118.16 114.54 3a1c n LYS 417 Ca 0.11 -0.35 -0.44 0.00 -2.02 0.00 0.00 58.31 55.61 3a1c n LYS 417 Cb 0.42 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 3a1c n LYS 417 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3a1c n VAL 418 N -0.95 0.09 0.15 -0.18 0.31 -0.94 -4.69 118.33 112.12 3a1c n VAL 418 Ca 0.08 -0.02 0.06 0.00 -0.01 0.00 0.00 64.34 64.45 3a1c n VAL 418 Cb 0.37 -1.86 -0.08 0.00 -0.91 0.00 0.00 33.84 31.35 3a1c n VAL 418 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3a1c n THR 419 N 3.98 0.00 -3.76 2.52 -2.24 -0.22 -4.89 114.28 109.66 3a1c n THR 419 Ca 0.17 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 3a1c n THR 419 Cb 0.33 0.46 -0.14 0.00 -2.10 0.00 0.00 70.33 68.88 3a1c n THR 419 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a1c s ALA 420 N -2.60 -0.31 -0.19 6.98 0.00 -1.02 -1.07 121.76 123.56 3a1c s ALA 420 Ca -0.02 0.64 -0.03 0.00 0.00 0.00 0.00 51.96 52.56 3a1c s ALA 420 Cb 0.08 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 3a1c s ALA 420 CO 0.48 -0.14 -0.08 0.08 0.00 0.00 0.00 175.76 176.11 3a1c s VAL 421 N 0.93 3.20 -0.23 0.00 1.01 0.63 -1.00 120.40 124.96 3a1c s VAL 421 Ca -0.07 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 3a1c s VAL 421 Cb -0.09 -2.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.87 3a1c s VAL 421 CO -0.05 0.46 -0.05 -0.63 0.00 0.00 0.00 175.10 174.83 3a1c s ILE 422 N 1.15 3.22 -0.06 2.22 -1.09 0.41 -0.64 121.20 126.41 3a1c s ILE 422 Ca 0.01 -0.62 -0.17 0.00 -2.23 0.00 0.00 60.65 57.65 3a1c s ILE 422 Cb -0.14 -2.49 -0.05 0.00 -1.58 0.00 0.00 42.46 38.19 3a1c s ILE 422 CO -0.02 0.38 0.45 -0.36 -1.23 0.00 0.00 174.94 174.16 3a1c s PHE 423 N 1.44 3.61 0.25 3.97 0.08 -0.37 -0.33 117.98 126.63 3a1c s PHE 423 Ca 0.05 0.94 -0.30 0.00 0.12 0.00 0.00 56.93 57.74 3a1c s PHE 423 Cb -0.15 -2.45 -0.10 0.00 -0.57 0.00 0.00 43.02 39.76 3a1c s PHE 423 CO -0.04 0.37 1.34 0.34 -0.10 0.00 0.00 175.22 177.13 3a1c s ASP 424 N -0.11 6.80 -0.02 1.36 2.15 0.73 -1.20 116.67 126.39 3a1c s ASP 424 Ca 0.25 2.55 -0.19 0.00 0.43 0.00 0.00 52.55 55.58 3a1c s ASP 424 Cb -0.16 -2.62 -0.11 0.00 -0.30 0.00 0.00 42.92 39.73 3a1c s ASP 424 CO 0.12 -0.57 0.81 0.50 -0.17 0.00 0.00 175.17 175.86 3a1c h LYS 425 N 4.78 -0.67 -6.23 4.34 3.64 -1.79 -3.14 116.57 117.50 3a1c h LYS 425 Ca -0.46 0.05 -0.56 0.00 -1.27 0.00 0.00 60.65 58.40 3a1c h LYS 425 Cb 1.22 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 33.16 3a1c h LYS 425 CO 0.74 -0.45 1.00 0.99 -2.27 0.00 0.00 179.45 179.47 3a1c s THR 426 N -3.82 3.98 0.00 1.00 2.01 -1.26 -0.73 115.64 116.82 3a1c s THR 426 Ca -0.10 1.15 0.00 0.00 0.31 0.00 0.00 61.69 63.05 3a1c s THR 426 Cb 0.01 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.69 3a1c s THR 426 CO 0.30 -0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.64 3a1c n GLY 427 N 4.05 3.09 0.09 4.40 0.00 -1.24 -4.76 105.19 110.82 3a1c n GLY 427 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 3a1c n GLY 427 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a1c n THR 428 N -1.63 1.49 0.08 2.61 -1.04 -1.02 -4.54 114.28 110.23 3a1c n THR 428 Ca 0.00 0.07 -0.04 0.00 -2.04 0.00 0.00 64.05 62.04 3a1c n THR 428 Cb 0.00 -2.28 -0.07 0.00 -1.82 0.00 0.00 70.33 66.16 3a1c n THR 428 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3a1c h LEU 429 N -1.00 0.00-10.00 -4.42 3.38 -0.87 -3.47 115.31 98.92 3a1c h LEU 429 Ca -0.12 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.36 3a1c h LEU 429 Cb 1.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 3a1c h LEU 429 CO -0.07 0.81 -0.48 0.42 0.09 0.00 0.00 178.44 179.21 3a1c s THR 430 N -2.80 4.34 -0.58 0.22 -4.23 -1.06 -0.44 115.64 111.09 3a1c s THR 430 Ca 0.01 -1.31 0.21 0.00 -1.18 0.00 0.00 61.69 59.43 3a1c s THR 430 Cb 0.09 -3.42 0.22 0.00 1.34 0.00 0.00 72.50 70.73 3a1c s THR 430 CO 0.79 -0.30 1.65 0.29 -0.54 0.00 0.00 174.62 176.52 3a1c n LYS 431 N -1.28 0.15 -2.28 3.99 5.02 -0.22 -3.67 118.16 119.87 3a1c n LYS 431 Ca -0.06 0.39 -0.09 0.00 -2.02 0.00 0.00 58.31 56.53 3a1c n LYS 431 Cb 0.58 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 3a1c n LYS 431 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1c n GLY 432 N -0.04 0.04 2.55 0.72 0.00 -1.26 -4.97 105.19 102.22 3a1c n GLY 432 Ca 0.02 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 3a1c n GLY 432 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a1c n LYS 433 N -1.94 2.34 -2.13 1.61 5.02 -1.26 -5.07 118.16 116.73 3a1c n LYS 433 Ca -0.09 -4.37 -0.39 0.00 -2.02 0.00 0.00 58.31 51.43 3a1c n LYS 433 Cb 0.57 -2.04 -0.01 0.00 -0.02 0.00 0.00 35.03 33.54 3a1c n LYS 433 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3a1c s PRO 434 N -2.66 4.01 0.00 1.97 0.04 -1.26 -4.68 135.00 132.42 3a1c s PRO 434 Ca 0.43 2.06 -0.05 0.00 0.04 0.00 0.00 61.00 63.48 3a1c s PRO 434 Cb 0.23 -2.75 -0.00 0.00 0.04 0.00 0.00 34.50 32.01 3a1c s PRO 434 CO -0.08 -0.42 0.09 -1.21 0.04 0.00 0.00 177.00 175.42 3a1c s GLU 435 N -2.22 0.41 -0.00 4.56 2.02 -0.46 -4.46 118.70 118.55 3a1c s GLU 435 Ca 0.56 -0.40 -0.30 0.00 0.02 0.00 0.00 54.97 54.85 3a1c s GLU 435 Cb -0.36 0.17 -0.05 0.00 0.10 0.00 0.00 34.13 33.99 3a1c s GLU 435 CO 0.46 -0.09 1.30 0.08 0.02 0.00 0.00 175.26 177.03 3a1c s VAL 436 N -1.28 3.92 -0.05 2.63 1.01 -1.26 -1.30 120.40 124.07 3a1c s VAL 436 Ca -0.14 1.30 0.13 0.00 0.00 0.00 0.00 61.98 63.28 3a1c s VAL 436 Cb -0.08 -3.84 -0.20 0.00 0.00 0.00 0.00 36.38 32.27 3a1c s VAL 436 CO 0.01 0.02 0.23 0.35 0.00 0.00 0.00 175.10 175.71 3a1c n THR 437 N 4.50 0.25 -3.76 3.92 -2.24 0.24 -4.95 114.28 112.23 3a1c n THR 437 Ca 0.12 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.39 3a1c n THR 437 Cb 0.45 -0.06 -0.11 0.00 -2.10 0.00 0.00 70.33 68.51 3a1c n THR 437 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3a1c s ASP 438 N -3.87 -0.32 -0.19 3.42 1.01 -1.18 -4.99 116.67 110.56 3a1c s ASP 438 Ca -0.05 0.61 0.01 0.00 0.71 0.00 0.00 52.55 53.83 3a1c s ASP 438 Cb 0.07 0.59 0.03 0.00 1.01 0.00 0.00 42.92 44.62 3a1c s ASP 438 CO 0.56 -0.12 -0.17 -0.76 0.21 0.00 0.00 175.17 174.89 3a1c s LEU 439 N 0.38 2.28 -0.66 1.23 1.43 -1.26 -1.26 118.68 120.81 3a1c s LEU 439 Ca -0.02 -0.76 0.05 0.00 -1.03 0.00 0.00 54.13 52.37 3a1c s LEU 439 Cb -0.04 -1.42 0.17 0.00 0.03 0.00 0.00 46.19 44.94 3a1c s LEU 439 CO -0.02 -0.05 0.48 0.52 0.23 0.00 0.00 176.35 177.51 3a1c n VAL 440 N 4.62 1.23 -2.58 -1.59 0.31 0.67 -4.97 118.33 116.02 3a1c n VAL 440 Ca -0.19 -4.66 -0.39 0.00 -0.01 0.00 0.00 64.34 59.09 3a1c n VAL 440 Cb 0.48 -2.11 -0.05 0.00 -0.91 0.00 0.00 33.84 31.26 3a1c n VAL 440 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3a1c s PRO 441 N -1.27 4.60 0.52 5.55 0.04 -1.26 -1.03 135.00 142.15 3a1c s PRO 441 Ca 0.27 1.63 0.32 0.00 0.04 0.00 0.00 61.00 63.25 3a1c s PRO 441 Cb -0.02 -3.05 1.26 0.00 0.04 0.00 0.00 34.50 32.73 3a1c s PRO 441 CO -0.17 0.23 1.94 -0.07 0.04 0.00 0.00 177.00 178.96 3a1c h LEU 442 N 3.58 0.00 -1.77 -3.56 3.38 -1.61 -3.22 115.31 112.10 3a1c h LEU 442 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3a1c h LEU 442 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3a1c h LEU 442 CO 0.66 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.73 3a1c n ASN 443 N -3.04 1.91 0.00 -0.43 2.04 -1.26 -5.01 115.26 109.47 3a1c n ASN 443 Ca 0.01 -1.51 0.00 0.00 -0.44 0.00 0.00 54.58 52.64 3a1c n ASN 443 Cb 0.32 -0.05 0.00 0.00 -2.53 0.00 0.00 39.78 37.52 3a1c n ASN 443 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3a1c n GLY 444 N 0.34 2.84 3.53 4.83 0.00 -1.22 -5.01 105.19 110.50 3a1c n GLY 444 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3a1c n GLY 444 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a1c s ASP 445 N -1.31 6.60 0.17 1.61 3.68 -1.26 -4.83 116.67 121.33 3a1c s ASP 445 Ca 0.00 -1.79 -0.07 0.00 2.13 0.00 0.00 52.55 52.81 3a1c s ASP 445 Cb 0.00 -2.52 0.06 0.00 -1.45 0.00 0.00 42.92 39.01 3a1c s ASP 445 CO 0.00 -1.32 1.53 -0.33 0.13 0.00 0.00 175.17 175.18 3a1c h GLU 446 N 9.18 0.82 -0.23 4.34 5.08 -1.95 -2.59 114.58 129.23 3a1c h GLU 446 Ca 0.22 -0.41 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 3a1c h GLU 446 Cb 0.99 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 3a1c h GLU 446 CO 1.34 1.05 0.07 -0.09 -1.00 0.00 0.00 179.01 180.37 3a1c h ARG 447 N 0.68 0.37 -0.76 2.33 2.43 -2.00 -2.20 114.38 115.24 3a1c h ARG 447 Ca 0.06 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3a1c h ARG 447 Cb 0.92 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 3a1c h ARG 447 CO 0.08 0.47 0.27 1.49 -1.51 0.00 0.00 179.97 180.77 3a1c h GLU 448 N 0.21 1.16 -0.42 0.20 4.57 -1.97 0.74 114.58 119.07 3a1c h GLU 448 Ca 0.07 -0.23 0.08 0.00 -1.18 0.00 0.00 59.36 58.10 3a1c h GLU 448 Cb 0.26 -0.18 -0.08 0.00 -0.16 0.00 0.00 28.75 28.59 3a1c h GLU 448 CO -0.00 0.97 -0.08 1.25 -1.18 0.00 0.00 179.01 179.97 3a1c h LEU 449 N 1.12 -0.34 -0.34 1.64 5.85 -1.36 -1.26 115.31 120.63 3a1c h LEU 449 Ca 0.25 0.12 -0.17 0.00 0.84 0.00 0.00 57.88 58.92 3a1c h LEU 449 Cb 0.27 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 3a1c h LEU 449 CO -0.01 -0.12 -0.44 0.25 -0.34 0.00 0.00 178.44 177.77 3a1c h LEU 450 N 0.02 0.98 -0.28 2.25 5.85 -0.98 -2.34 115.31 120.81 3a1c h LEU 450 Ca 0.20 -0.49 0.03 0.00 0.84 0.00 0.00 57.88 58.45 3a1c h LEU 450 Cb 0.31 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3a1c h LEU 450 CO -0.41 1.28 0.10 -0.09 -0.34 0.00 0.00 178.44 178.98 3a1c h ARG 451 N 0.70 0.22 -0.30 1.25 2.43 -0.61 -1.19 114.38 116.88 3a1c h ARG 451 Ca 0.04 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3a1c h ARG 451 Cb 1.05 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 3a1c h ARG 451 CO 0.10 0.15 0.17 -0.07 -1.51 0.00 0.00 179.97 178.81 3a1c h LEU 452 N 0.23 0.38 -0.83 3.80 3.38 -1.17 -2.71 115.31 118.39 3a1c h LEU 452 Ca 0.12 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3a1c h LEU 452 Cb 0.08 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3a1c h LEU 452 CO -0.12 0.35 0.54 0.00 0.09 0.00 0.00 178.44 179.31 3a1c h ALA 453 N 1.04 1.05 -0.10 1.53 0.00 -1.27 -2.67 119.26 118.84 3a1c h ALA 453 Ca 0.11 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3a1c h ALA 453 Cb 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3a1c h ALA 453 CO -0.02 0.47 -0.22 0.00 0.00 0.00 0.00 179.25 179.48 3a1c h ALA 454 N 1.30 1.46 0.54 0.00 0.00 -1.09 -1.63 119.26 119.84 3a1c h ALA 454 Ca 0.30 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3a1c h ALA 454 Cb -0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3a1c h ALA 454 CO -0.06 0.39 -0.31 0.82 0.00 0.00 0.00 179.25 180.08 3a1c h ILE 455 N 0.15 0.36 0.00 0.00 2.04 -1.16 -2.54 117.51 116.36 3a1c h ILE 455 Ca 0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 3a1c h ILE 455 Cb 0.48 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3a1c h ILE 455 CO 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 178.15 178.06 3a1c h ALA 456 N -0.39 1.79 -0.03 1.87 0.00 -1.27 -2.67 119.26 118.56 3a1c h ALA 456 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3a1c h ALA 456 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3a1c h ALA 456 CO 0.08 0.15 0.00 0.39 0.00 0.00 0.00 179.25 179.87 3a1c n GLU 457 N -4.38 1.80 -0.29 0.00 -0.58 -0.65 -4.53 120.64 112.02 3a1c n GLU 457 Ca -0.03 -1.17 0.05 0.00 -0.42 0.00 0.00 57.16 55.59 3a1c n GLU 457 Cb 0.19 -1.47 0.26 0.00 -0.57 0.00 0.00 31.44 29.85 3a1c n GLU 457 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3a1c h ARG 458 N 2.81 0.96 -0.01 3.49 9.65 -1.08 -2.79 114.38 127.41 3a1c h ARG 458 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3a1c h ARG 458 Cb 0.60 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 3a1c h ARG 458 CO 0.00 0.64 -0.30 0.54 2.80 0.00 0.00 179.97 183.65 3a1c n ARG 459 N -4.50 0.72 -3.70 0.20 5.12 -1.26 -4.96 116.66 108.28 3a1c n ARG 459 Ca 0.14 -0.43 -0.37 0.00 -1.93 0.00 0.00 57.85 55.26 3a1c n ARG 459 Cb 0.22 -1.49 -0.07 0.00 -1.16 0.00 0.00 32.46 29.96 3a1c n ARG 459 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3a1c s SER 460 N -2.57 6.45 0.00 0.55 0.01 -1.05 -4.98 113.70 112.10 3a1c s SER 460 Ca 0.22 0.53 0.30 0.00 1.31 0.00 0.00 55.95 58.32 3a1c s SER 460 Cb 0.19 -2.13 1.65 0.00 0.21 0.00 0.00 66.02 65.94 3a1c s SER 460 CO 0.55 0.28 2.08 1.21 0.41 0.00 0.00 173.24 177.77 3a1c n GLU 461 N 2.58 1.15 -2.03 12.44 2.13 -1.26 -4.60 120.64 131.05 3a1c n GLU 461 Ca -0.16 -0.22 -0.39 0.00 0.66 0.00 0.00 57.16 57.05 3a1c n GLU 461 Cb 0.53 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.77 3a1c n GLU 461 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3a1c s HIS 462 N -2.00 2.72 0.42 4.31 2.46 -1.26 -4.79 115.29 117.16 3a1c s HIS 462 Ca 0.44 1.42 0.15 0.00 0.47 0.00 0.00 55.06 57.54 3a1c s HIS 462 Cb 0.21 -3.66 1.04 0.00 -0.13 0.00 0.00 32.58 30.04 3a1c s HIS 462 CO 0.35 -2.17 1.92 -1.00 -2.47 0.00 0.00 174.74 171.36 3a1c h PRO 463 N 2.36 0.42 -0.48 2.88 0.13 -1.99 0.76 132.00 136.08 3a1c h PRO 463 Ca -0.50 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.58 3a1c h PRO 463 Cb 1.26 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 3a1c h PRO 463 CO 0.61 0.28 0.21 0.82 -0.23 0.00 0.00 178.00 179.69 3a1c h ILE 464 N 0.43 1.20 -0.19 -3.56 2.04 -1.98 -1.22 117.51 114.24 3a1c h ILE 464 Ca 0.37 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3a1c h ILE 464 Cb 0.84 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3a1c h ILE 464 CO -0.12 0.23 0.10 0.00 0.00 0.00 0.00 178.15 178.35 3a1c h ALA 465 N 1.05 0.24 -0.66 1.87 0.00 -1.52 -1.66 119.26 118.59 3a1c h ALA 465 Ca 0.16 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3a1c h ALA 465 Cb 0.16 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3a1c h ALA 465 CO -0.02 -0.21 0.36 0.93 0.00 0.00 0.00 179.25 180.32 3a1c h GLU 466 N 0.19 0.66 -0.37 0.00 5.08 -0.79 0.31 114.58 119.64 3a1c h GLU 466 Ca 0.07 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3a1c h GLU 466 Cb 0.09 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3a1c h GLU 466 CO -0.01 0.43 0.15 0.00 -1.00 0.00 0.00 179.01 178.58 3a1c h ALA 467 N 1.34 0.49 -0.20 3.43 0.00 -1.05 -1.47 119.26 121.79 3a1c h ALA 467 Ca 0.29 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3a1c h ALA 467 Cb 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3a1c h ALA 467 CO -0.18 0.09 -0.11 0.82 0.00 0.00 0.00 179.25 179.87 3a1c h ILE 468 N 0.46 1.31 -0.63 0.00 2.04 -0.96 -1.01 117.51 118.71 3a1c h ILE 468 Ca 0.12 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 3a1c h ILE 468 Cb 0.19 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 3a1c h ILE 468 CO -0.01 0.36 0.27 0.58 0.00 0.00 0.00 178.15 179.35 3a1c h VAL 469 N 0.13 1.23 -0.81 1.67 2.07 -0.96 -1.40 116.25 118.18 3a1c h VAL 469 Ca 0.04 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 3a1c h VAL 469 Cb 0.61 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 3a1c h VAL 469 CO 0.03 0.28 0.38 0.50 0.02 0.00 0.00 177.57 178.78 3a1c h LYS 470 N 0.88 1.17 -0.49 1.57 3.64 -1.16 -1.55 116.57 120.63 3a1c h LYS 470 Ca 0.21 -0.18 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 3a1c h LYS 470 Cb 0.18 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3a1c h LYS 470 CO -0.02 0.91 -0.04 -0.22 -2.27 0.00 0.00 179.45 177.80 3a1c h LYS 471 N 1.15 0.89 -0.40 1.90 1.63 -0.96 -1.05 116.57 119.73 3a1c h LYS 471 Ca 0.28 -0.31 0.03 0.00 -0.85 0.00 0.00 60.65 59.81 3a1c h LYS 471 Cb 0.13 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 3a1c h LYS 471 CO -0.03 0.95 0.19 0.00 -3.45 0.00 0.00 179.45 177.10 3a1c h ALA 472 N 0.91 0.49 -0.55 5.00 0.00 -1.07 -1.46 119.26 122.58 3a1c h ALA 472 Ca 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3a1c h ALA 472 Cb 0.57 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3a1c h ALA 472 CO 0.03 -0.18 0.29 -0.07 0.00 0.00 0.00 179.25 179.32 3a1c h LEU 473 N 0.38 0.70 -1.79 0.00 3.38 -1.12 -0.67 115.31 116.20 3a1c h LEU 473 Ca 0.17 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3a1c h LEU 473 Cb 0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3a1c h LEU 473 CO -0.13 0.60 0.22 -0.33 0.09 0.00 0.00 178.44 178.89 3a1c h GLU 474 N 0.74 0.27 -0.32 1.13 5.08 -0.86 -1.72 114.58 118.90 3a1c h GLU 474 Ca 0.19 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3a1c h GLU 474 Cb 0.07 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3a1c h GLU 474 CO -0.03 0.18 0.00 0.72 -1.00 0.00 0.00 179.01 178.88 3a1c n HIS 475 N -4.49 0.41 -1.62 4.33 8.25 -0.58 -4.93 115.22 116.60 3a1c n HIS 475 Ca 0.03 -0.21 -0.07 0.00 -0.26 0.00 0.00 57.72 57.21 3a1c n HIS 475 Cb 0.19 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.28 3a1c n HIS 475 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a1c n GLY 476 N 1.23 0.56 3.74 -1.41 0.00 -0.65 -5.00 105.19 103.67 3a1c n GLY 476 Ca 0.16 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 3a1c n GLY 476 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1c s ILE 477 N -2.32 4.58 0.23 -0.61 1.01 -0.32 -5.01 121.20 118.76 3a1c s ILE 477 Ca 0.00 1.85 -0.30 0.00 0.00 0.00 0.00 60.65 62.19 3a1c s ILE 477 Cb 0.00 -4.22 -0.10 0.00 0.01 0.00 0.00 42.46 38.15 3a1c s ILE 477 CO 0.00 0.36 1.48 -1.61 0.00 0.00 0.00 174.94 175.17 3a1c s GLU 478 N -0.14 4.24 -0.15 2.79 2.02 -1.26 -4.48 118.70 121.72 3a1c s GLU 478 Ca 0.42 2.33 -0.22 0.00 0.02 0.00 0.00 54.97 57.52 3a1c s GLU 478 Cb -0.22 -3.12 -0.03 0.00 0.10 0.00 0.00 34.13 30.86 3a1c s GLU 478 CO 0.27 -0.49 0.69 -0.51 0.02 0.00 0.00 175.26 175.24 3a1c s LEU 479 N 0.07 4.20 0.75 1.80 1.43 -1.26 -4.95 118.68 120.71 3a1c s LEU 479 Ca 0.63 1.00 -0.12 0.00 -1.03 0.00 0.00 54.13 54.61 3a1c s LEU 479 Cb -0.43 -3.01 0.04 0.00 0.03 0.00 0.00 46.19 42.82 3a1c s LEU 479 CO 0.40 -0.25 1.12 -0.83 0.23 0.00 0.00 176.35 177.02 3a1c s GLY 480 N 1.06 1.62 -0.44 -3.19 0.00 -1.26 -5.05 107.32 100.05 3a1c s GLY 480 Ca 0.33 -0.43 0.03 0.00 0.00 0.00 0.00 44.72 44.65 3a1c s GLY 480 CO 0.13 -0.02 0.18 -0.54 0.00 0.00 0.00 173.10 172.85 3a1c s GLU 481 N -5.42 1.63 0.29 2.90 0.41 -1.26 -4.87 118.70 112.38 3a1c s GLU 481 Ca 0.60 -2.20 -0.29 0.00 -0.41 0.00 0.00 54.97 52.67 3a1c s GLU 481 Cb -0.11 -3.03 -0.10 0.00 -1.78 0.00 0.00 34.13 29.11 3a1c s GLU 481 CO 0.51 -1.06 1.20 -1.25 -0.49 0.00 0.00 175.26 174.17 3a1c s PRO 482 N 0.29 4.50 0.14 0.39 0.04 -1.26 -4.94 135.00 134.16 3a1c s PRO 482 Ca 0.15 1.99 -0.14 0.00 0.04 0.00 0.00 61.00 63.04 3a1c s PRO 482 Cb -0.23 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 31.18 3a1c s PRO 482 CO -0.04 0.00 1.64 1.49 0.04 0.00 0.00 177.00 180.13 3a1c h GLU 483 N 3.84 0.77 -3.51 4.56 4.81 -1.98 -3.44 114.58 119.63 3a1c h GLU 483 Ca -0.47 -0.20 -0.26 0.00 -0.13 0.00 0.00 59.36 58.30 3a1c h GLU 483 Cb 1.22 -0.10 -0.31 0.00 0.63 0.00 0.00 28.75 30.19 3a1c h GLU 483 CO 0.67 0.77 -0.68 0.15 -0.73 0.00 0.00 179.01 179.19 3a1c s LYS 484 N -5.25 0.02 -0.05 1.92 1.02 -1.26 -5.13 119.74 111.02 3a1c s LYS 484 Ca -0.13 0.17 0.04 0.00 0.02 0.00 0.00 55.97 56.07 3a1c s LYS 484 Cb 0.11 -0.13 -0.00 0.00 -0.52 0.00 0.00 37.83 37.29 3a1c s LYS 484 CO 0.79 -0.10 -0.16 0.08 -0.92 0.00 0.00 175.35 175.04 3a1c s VAL 485 N 0.68 1.33 -0.19 3.17 1.01 -1.26 -3.61 120.40 121.52 3a1c s VAL 485 Ca -0.05 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 3a1c s VAL 485 Cb -0.08 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 3a1c s VAL 485 CO -0.02 0.39 0.05 -0.70 0.00 0.00 0.00 175.10 174.82 3a1c s GLU 486 N 0.15 3.88 -0.29 2.72 2.12 0.17 -4.95 118.70 122.50 3a1c s GLU 486 Ca -0.06 -0.39 -0.07 0.00 0.36 0.00 0.00 54.97 54.82 3a1c s GLU 486 Cb -0.12 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.07 3a1c s GLU 486 CO 0.02 0.18 0.08 0.08 -0.54 0.00 0.00 175.26 175.08 3a1c s VAL 487 N 0.62 4.06 -0.30 3.70 1.01 -1.26 -1.16 120.40 127.08 3a1c s VAL 487 Ca 0.03 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 3a1c s VAL 487 Cb -0.13 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.20 3a1c s VAL 487 CO 0.02 0.12 0.07 -0.63 0.00 0.00 0.00 175.10 174.68 3a1c s ILE 488 N 1.53 3.83 -0.07 2.22 1.01 -0.17 -5.02 121.20 124.52 3a1c s ILE 488 Ca 0.03 -0.83 -0.38 0.00 0.00 0.00 0.00 60.65 59.47 3a1c s ILE 488 Cb -0.17 -3.02 -0.17 0.00 0.01 0.00 0.00 42.46 39.12 3a1c s ILE 488 CO 0.03 0.03 1.49 0.00 0.00 0.00 0.00 174.94 176.49 3a1c n ALA 489 N 4.84 -0.80 -1.02 9.38 0.00 -1.26 -1.29 120.51 130.35 3a1c n ALA 489 Ca -0.14 0.47 -0.01 0.00 0.00 0.00 0.00 53.44 53.76 3a1c n ALA 489 Cb 0.47 -2.12 -0.00 0.00 0.00 0.00 0.00 19.45 17.80 3a1c n ALA 489 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1c n GLY 490 N 3.16 0.43 1.43 0.00 0.00 -1.26 -4.77 105.19 104.18 3a1c n GLY 490 Ca 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3a1c n GLY 490 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a1c n GLU 491 N -2.06 0.00 -0.21 1.61 1.02 -0.41 -4.84 120.64 115.75 3a1c n GLU 491 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3a1c n GLU 491 Cb 0.14 -0.29 0.00 0.00 -0.02 0.00 0.00 31.44 31.27 3a1c n GLU 491 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a1c n GLY 492 N 2.62 0.36 3.34 0.62 0.00 -0.77 -1.59 105.19 109.77 3a1c n GLY 492 Ca 0.00 -1.38 -0.23 0.00 0.00 0.00 0.00 46.02 44.42 3a1c n GLY 492 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a1c s VAL 493 N -3.84 1.88 -0.06 1.61 -7.23 -0.39 -0.99 120.40 111.37 3a1c s VAL 493 Ca 0.00 -1.88 -0.01 0.00 -1.81 0.00 0.00 61.98 58.28 3a1c s VAL 493 Cb 0.00 -1.84 0.03 0.00 0.56 0.00 0.00 36.38 35.13 3a1c s VAL 493 CO 0.00 -0.25 0.01 -0.69 -0.31 0.00 0.00 175.10 173.86 3a1c s VAL 494 N -1.87 0.28 -0.12 1.32 1.01 -0.31 -1.71 120.40 118.99 3a1c s VAL 494 Ca 0.15 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 3a1c s VAL 494 Cb -0.07 -0.44 0.06 0.00 0.00 0.00 0.00 36.38 35.93 3a1c s VAL 494 CO 0.07 0.24 0.14 0.00 0.00 0.00 0.00 175.10 175.54 3a1c s ALA 495 N 1.89 0.02 -1.38 5.51 0.00 0.29 -0.66 121.76 127.44 3a1c s ALA 495 Ca 0.03 0.22 -0.15 0.00 0.00 0.00 0.00 51.96 52.06 3a1c s ALA 495 Cb -0.12 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.06 3a1c s ALA 495 CO -0.04 -0.85 0.35 -0.25 0.00 0.00 0.00 175.76 174.97 3a1c n ASP 496 N 5.31 -1.49 0.00 0.00 8.00 -1.24 -0.63 116.55 126.51 3a1c n ASP 496 Ca -0.05 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.20 3a1c n ASP 496 Cb 0.50 -1.86 0.00 0.00 -0.02 0.00 0.00 41.12 39.74 3a1c n ASP 496 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a1c n GLY 497 N -2.29 1.59 3.71 0.44 0.00 -1.26 -5.00 105.19 102.38 3a1c n GLY 497 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 3a1c n GLY 497 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1c s ILE 498 N -2.43 5.22 -0.06 -0.61 1.01 0.20 -2.45 121.20 122.08 3a1c s ILE 498 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.78 3a1c s ILE 498 Cb 0.00 -3.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 3a1c s ILE 498 CO 0.00 0.46 -0.07 -0.76 0.00 0.00 0.00 174.94 174.56 3a1c s LEU 499 N 0.29 3.14 -0.12 2.97 1.02 0.47 -0.55 118.68 125.91 3a1c s LEU 499 Ca 0.07 -0.04 -0.02 0.00 0.02 0.00 0.00 54.13 54.16 3a1c s LEU 499 Cb -0.11 -1.69 0.04 0.00 0.02 0.00 0.00 46.19 44.45 3a1c s LEU 499 CO -0.01 0.36 0.02 -0.69 0.02 0.00 0.00 176.35 176.04 3a1c s VAL 500 N -0.82 0.41 -2.11 -1.59 1.01 -0.70 -1.00 120.40 115.62 3a1c s VAL 500 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3a1c s VAL 500 Cb -0.11 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.55 3a1c s VAL 500 CO 0.02 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.79 3a1c n GLY 501 N 5.12 -0.59 0.00 4.51 0.00 -0.45 -1.27 105.19 112.51 3a1c n GLY 501 Ca -0.08 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3a1c n GLY 501 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3a1c n ASN 502 N 0.00 0.00 0.21 1.61 0.23 -0.62 -0.21 115.26 116.47 3a1c n ASN 502 Ca 0.00 -0.99 0.05 0.00 -0.53 0.00 0.00 54.58 53.11 3a1c n ASN 502 Cb 0.00 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.14 3a1c n ASN 502 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3a1c h LYS 503 N 0.00 0.00 -0.90 -3.83 1.57 -1.94 -1.82 116.57 109.65 3a1c h LYS 503 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3a1c h LYS 503 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3a1c h LYS 503 CO 0.00 0.30 0.55 -0.09 -0.57 0.00 0.00 179.45 179.64 3a1c h ARG 504 N 0.00 1.21 -0.23 3.15 2.43 -1.91 0.37 114.38 119.39 3a1c h ARG 504 Ca -0.00 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 3a1c h ARG 504 Cb 0.60 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3a1c h ARG 504 CO 0.04 0.84 -0.10 1.25 -1.51 0.00 0.00 179.97 180.49 3a1c h LEU 505 N 1.23 0.49 -0.30 3.80 5.85 -1.64 -1.27 115.31 123.47 3a1c h LEU 505 Ca 0.32 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3a1c h LEU 505 Cb -0.07 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3a1c h LEU 505 CO -0.06 0.78 0.10 0.24 -0.34 0.00 0.00 178.44 179.17 3a1c h MET 506 N 0.19 0.23 -0.60 1.25 2.86 -0.90 -2.41 114.93 115.55 3a1c h MET 506 Ca 0.05 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3a1c h MET 506 Cb 0.60 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 3a1c h MET 506 CO 0.03 0.15 0.39 1.49 1.06 0.00 0.00 176.91 180.03 3a1c h GLU 507 N 0.24 0.76 -0.73 1.72 4.81 -0.29 0.50 114.58 121.59 3a1c h GLU 507 Ca 0.13 -0.05 0.15 0.00 -0.13 0.00 0.00 59.36 59.46 3a1c h GLU 507 Cb 0.10 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 3a1c h GLU 507 CO -0.13 0.51 0.49 0.22 -0.73 0.00 0.00 179.01 179.36 3a1c h ASP 508 N 0.79 0.36 -0.34 1.04 1.82 -0.85 -2.40 116.42 116.85 3a1c h ASP 508 Ca 0.23 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 3a1c h ASP 508 Cb -0.06 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 39.89 3a1c h ASP 508 CO -0.06 0.19 0.00 0.49 -1.61 0.00 0.00 179.24 178.25 3a1c n PHE 509 N -4.47 0.45 -2.91 0.28 3.72 -0.94 -4.98 117.46 108.61 3a1c n PHE 509 Ca 0.14 -0.40 -0.17 0.00 -0.05 0.00 0.00 57.45 56.97 3a1c n PHE 509 Cb 0.53 -0.02 0.03 0.00 -0.94 0.00 0.00 39.48 39.08 3a1c n PHE 509 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a1c n GLY 510 N 0.74 -0.18 3.64 1.37 0.00 -0.38 -5.00 105.19 105.38 3a1c n GLY 510 Ca 0.13 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 3a1c n GLY 510 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1c s VAL 511 N -3.05 5.21 0.18 1.61 1.01 0.03 -5.02 120.40 120.37 3a1c s VAL 511 Ca 0.26 0.56 -0.30 0.00 0.00 0.00 0.00 61.98 62.50 3a1c s VAL 511 Cb -0.12 -3.68 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 3a1c s VAL 511 CO 0.32 0.22 1.30 0.00 0.00 0.00 0.00 175.10 176.95 3a1c s ALA 512 N 1.65 3.52 -0.37 5.51 0.00 -1.26 -4.41 121.76 126.40 3a1c s ALA 512 Ca 0.15 1.08 -0.10 0.00 0.00 0.00 0.00 51.96 53.10 3a1c s ALA 512 Cb -0.15 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.52 3a1c s ALA 512 CO 0.08 -0.53 0.18 0.08 0.00 0.00 0.00 175.76 175.58 3a1c s VAL 513 N 0.28 4.32 0.93 0.00 1.01 -1.26 -4.67 120.40 121.01 3a1c s VAL 513 Ca 0.57 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 3a1c s VAL 513 Cb -0.36 -3.44 0.15 0.00 0.00 0.00 0.00 36.38 32.73 3a1c s VAL 513 CO 0.36 -0.24 1.09 -0.94 0.00 0.00 0.00 175.10 175.38 3a1c s SER 514 N 1.54 3.25 0.21 3.32 1.04 -1.26 -4.82 113.70 116.98 3a1c s SER 514 Ca 0.01 1.36 -0.09 0.00 0.48 0.00 0.00 55.95 57.70 3a1c s SER 514 Cb -0.19 -2.03 0.23 0.00 0.10 0.00 0.00 66.02 64.13 3a1c s SER 514 CO 0.05 -2.76 1.82 0.78 0.98 0.00 0.00 173.24 174.11 3a1c h ASN 515 N -1.64 0.60 -0.90 7.02 2.35 -1.99 -1.01 115.58 120.02 3a1c h ASN 515 Ca -0.51 0.02 0.06 0.00 -0.55 0.00 0.00 56.30 55.32 3a1c h ASN 515 Cb 1.30 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 39.51 3a1c h ASN 515 CO 0.56 0.39 0.56 -0.08 -1.65 0.00 0.00 177.43 177.22 3a1c h GLU 516 N 0.73 1.00 -0.11 0.81 4.81 -1.99 -0.31 114.58 119.52 3a1c h GLU 516 Ca 0.30 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 3a1c h GLU 516 Cb 0.15 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 3a1c h GLU 516 CO -0.16 0.66 -0.04 0.28 -0.73 0.00 0.00 179.01 179.02 3a1c h VAL 517 N 1.03 1.30 -0.94 0.32 2.07 -1.82 -2.16 116.25 116.05 3a1c h VAL 517 Ca 0.39 -1.00 0.14 0.00 0.82 0.00 0.00 66.70 67.05 3a1c h VAL 517 Cb 0.16 1.75 -0.09 0.00 -1.52 0.00 0.00 31.29 31.58 3a1c h VAL 517 CO -0.17 0.29 0.55 -0.33 0.02 0.00 0.00 177.57 177.93 3a1c h GLU 518 N -0.12 0.78 -0.36 1.57 4.39 -0.77 -0.65 114.58 119.42 3a1c h GLU 518 Ca 0.03 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 3a1c h GLU 518 Cb 0.46 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3a1c h GLU 518 CO 0.01 0.52 0.03 -0.07 -1.16 0.00 0.00 179.01 178.34 3a1c h LEU 519 N 0.80 0.60 -1.08 1.33 3.38 -1.01 -1.00 115.31 118.35 3a1c h LEU 519 Ca 0.50 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 58.20 3a1c h LEU 519 Cb 0.64 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 3a1c h LEU 519 CO -0.32 0.74 0.63 0.00 0.09 0.00 0.00 178.44 179.57 3a1c h ALA 520 N 0.88 1.33 -0.51 1.53 0.00 -0.87 -1.44 119.26 120.19 3a1c h ALA 520 Ca 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3a1c h ALA 520 Cb 0.41 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3a1c h ALA 520 CO 0.01 0.61 0.14 -0.07 0.00 0.00 0.00 179.25 179.95 3a1c h LEU 521 N 1.27 0.76 -0.35 0.00 3.38 -0.94 -1.16 115.31 118.27 3a1c h LEU 521 Ca 0.35 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3a1c h LEU 521 Cb -0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 3a1c h LEU 521 CO -0.08 0.78 0.22 -0.08 0.09 0.00 0.00 178.44 179.38 3a1c h GLU 522 N 0.71 0.48 -0.24 1.13 4.81 -0.92 0.14 114.58 120.68 3a1c h GLU 522 Ca 0.16 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3a1c h GLU 522 Cb 0.31 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3a1c h GLU 522 CO -0.00 0.34 0.14 -0.22 -0.73 0.00 0.00 179.01 178.54 3a1c h LYS 523 N 0.47 0.33 -0.10 1.92 3.64 -1.11 -1.91 116.57 119.81 3a1c h LYS 523 Ca 0.13 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.34 3a1c h LYS 523 Cb -0.02 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3a1c h LYS 523 CO -0.03 0.28 -0.47 -0.07 -2.27 0.00 0.00 179.45 176.90 3a1c h LEU 524 N 0.29 0.59 -1.23 5.20 3.38 -1.03 -3.19 115.31 119.31 3a1c h LEU 524 Ca 0.09 -0.64 -0.06 0.00 0.09 0.00 0.00 57.88 57.36 3a1c h LEU 524 Cb 0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3a1c h LEU 524 CO -0.02 1.13 -0.12 -0.33 0.09 0.00 0.00 178.44 179.19 3a1c h GLU 525 N 0.08 0.38 0.00 1.13 5.08 -0.75 -1.29 114.58 119.21 3a1c h GLU 525 Ca -0.03 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3a1c h GLU 525 Cb 1.11 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 3a1c h GLU 525 CO 0.10 0.51 -0.02 0.07 -1.00 0.00 0.00 179.01 178.67 3a1c h ARG 526 N 0.36 0.00 -0.48 2.33 0.11 -1.35 0.12 114.38 115.47 3a1c h ARG 526 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 3a1c h ARG 526 Cb 0.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.51 3a1c h ARG 526 CO 0.02 0.02 0.00 0.39 0.10 0.00 0.00 179.97 180.50 3a1c n GLU 527 N -3.21 1.90 -3.25 0.08 1.02 -0.49 -4.89 120.64 111.80 3a1c n GLU 527 Ca -0.02 -1.01 -0.16 0.00 -0.02 0.00 0.00 57.16 55.95 3a1c n GLU 527 Cb 0.17 -1.41 0.07 0.00 -0.02 0.00 0.00 31.44 30.24 3a1c n GLU 527 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a1c n ALA 528 N 0.25 -1.29 -2.44 0.62 0.00 0.03 -5.04 120.51 112.64 3a1c n ALA 528 Ca 0.09 0.15 -0.27 0.00 0.00 0.00 0.00 53.44 53.40 3a1c n ALA 528 Cb 0.36 -3.29 -0.12 0.00 0.00 0.00 0.00 19.45 16.40 3a1c n ALA 528 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3a1c s LYS 529 N -5.57 1.56 -0.21 0.00 1.02 -1.18 -4.77 119.74 110.59 3a1c s LYS 529 Ca 0.24 -1.45 -0.22 0.00 0.02 0.00 0.00 55.97 54.56 3a1c s LYS 529 Cb -0.11 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 35.28 3a1c s LYS 529 CO 0.57 0.42 0.69 0.99 -0.92 0.00 0.00 175.35 177.10 3a1c s THR 530 N -1.53 4.96 -0.31 2.17 2.01 -0.00 -4.28 115.64 118.67 3a1c s THR 530 Ca 0.20 1.31 0.01 0.00 0.31 0.00 0.00 61.69 63.51 3a1c s THR 530 Cb -0.09 -4.00 0.07 0.00 0.01 0.00 0.00 72.50 68.49 3a1c s THR 530 CO 0.10 0.06 -0.00 0.00 -0.69 0.00 0.00 174.62 174.08 3a1c s ALA 531 N 2.18 2.79 0.07 7.40 0.00 -1.26 -0.12 121.76 132.81 3a1c s ALA 531 Ca 0.31 -1.98 -0.03 0.00 0.00 0.00 0.00 51.96 50.26 3a1c s ALA 531 Cb -0.16 -1.88 -0.05 0.00 0.00 0.00 0.00 23.12 21.03 3a1c s ALA 531 CO 0.10 -1.37 0.28 0.14 0.00 0.00 0.00 175.76 174.90 3a1c s VAL 532 N 1.13 5.29 -0.13 0.00 -7.23 0.39 -4.88 120.40 114.97 3a1c s VAL 532 Ca -0.02 -0.09 -0.11 0.00 -1.81 0.00 0.00 61.98 59.95 3a1c s VAL 532 Cb -0.20 -3.61 -0.05 0.00 0.56 0.00 0.00 36.38 33.09 3a1c s VAL 532 CO -0.04 0.17 0.24 -0.63 -0.31 0.00 0.00 175.10 174.53 3a1c s ILE 533 N -1.49 5.34 -0.19 -0.62 1.01 0.70 -1.22 121.20 124.73 3a1c s ILE 533 Ca 0.35 0.43 -0.06 0.00 0.00 0.00 0.00 60.65 61.37 3a1c s ILE 533 Cb -0.13 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 3a1c s ILE 533 CO 0.23 0.49 0.01 -0.69 0.00 0.00 0.00 174.94 174.99 3a1c s VAL 534 N -0.18 4.18 0.07 2.92 1.01 -0.02 -1.34 120.40 127.03 3a1c s VAL 534 Ca 0.15 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 61.95 3a1c s VAL 534 Cb -0.13 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 3a1c s VAL 534 CO 0.04 0.44 -0.17 0.00 0.00 0.00 0.00 175.10 175.41 3a1c s ALA 535 N 0.79 1.41 -0.01 5.51 0.00 -0.17 0.35 121.76 129.63 3a1c s ALA 535 Ca 0.01 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.93 3a1c s ALA 535 Cb -0.14 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.81 3a1c s ALA 535 CO 0.02 0.25 -0.03 -0.98 0.00 0.00 0.00 175.76 175.02 3a1c s ARG 536 N -1.65 0.35 -1.48 0.00 1.70 -0.34 -0.39 118.95 117.14 3a1c s ARG 536 Ca 0.02 -0.09 -0.03 0.00 -0.47 0.00 0.00 55.73 55.17 3a1c s ARG 536 Cb -0.10 -0.38 0.02 0.00 -0.57 0.00 0.00 34.95 33.92 3a1c s ARG 536 CO 0.03 0.02 0.38 0.09 -1.08 0.00 0.00 175.30 174.74 3a1c n ASN 537 N 3.33 -0.45 0.00 -2.89 3.02 -1.03 -1.64 115.26 115.61 3a1c n ASN 537 Ca -0.17 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 3a1c n ASN 537 Cb 0.56 -2.71 0.00 0.00 -0.61 0.00 0.00 39.78 37.02 3a1c n ASN 537 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a1c n GLY 538 N -2.02 0.55 3.27 7.41 0.00 -1.26 -5.00 105.19 108.13 3a1c n GLY 538 Ca -0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 3a1c n GLY 538 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1c s ARG 539 N -0.41 3.02 0.15 1.61 1.81 -0.65 -4.56 118.95 119.92 3a1c s ARG 539 Ca 0.00 -0.84 -0.31 0.00 -1.72 0.00 0.00 55.73 52.86 3a1c s ARG 539 Cb 0.00 -2.35 -0.11 0.00 -0.45 0.00 0.00 34.95 32.04 3a1c s ARG 539 CO 0.00 0.24 1.78 0.08 -0.68 0.00 0.00 175.30 176.72 3a1c s VAL 540 N 0.22 2.37 -0.18 3.52 1.01 -1.26 -1.20 120.40 124.88 3a1c s VAL 540 Ca -0.14 0.06 0.10 0.00 0.00 0.00 0.00 61.98 61.99 3a1c s VAL 540 Cb -0.17 -3.04 -0.23 0.00 0.00 0.00 0.00 36.38 32.95 3a1c s VAL 540 CO 0.07 0.00 0.14 -0.62 0.00 0.00 0.00 175.10 174.69 3a1c n GLU 541 N 5.05 0.68 -3.52 2.72 -0.58 0.15 -4.91 120.64 120.24 3a1c n GLU 541 Ca 0.17 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 3a1c n GLU 541 Cb 0.37 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 3a1c n GLU 541 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a1c n GLY 542 N 1.88 -1.18 3.04 0.62 0.00 -1.03 -1.48 105.19 107.04 3a1c n GLY 542 Ca -0.33 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.50 3a1c n GLY 542 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1c s ILE 543 N -3.00 0.80 -0.10 -0.61 1.01 -0.20 -0.84 121.20 118.27 3a1c s ILE 543 Ca 0.00 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.26 3a1c s ILE 543 Cb 0.00 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.80 3a1c s ILE 543 CO 0.00 0.23 -0.23 -0.63 0.00 0.00 0.00 174.94 174.31 3a1c s ILE 544 N -0.19 1.98 -0.11 2.92 1.01 -0.35 -0.24 121.20 126.22 3a1c s ILE 544 Ca 0.03 -0.97 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 3a1c s ILE 544 Cb -0.04 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 3a1c s ILE 544 CO -0.00 0.54 0.04 0.00 0.00 0.00 0.00 174.94 175.52 3a1c s ALA 545 N 0.43 3.40 -0.04 9.38 0.00 -0.39 -0.46 121.76 134.08 3a1c s ALA 545 Ca -0.17 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.06 3a1c s ALA 545 Cb -0.17 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.30 3a1c s ALA 545 CO 0.07 0.51 -0.15 0.08 0.00 0.00 0.00 175.76 176.27 3a1c s VAL 546 N -0.64 1.24 0.14 0.00 1.01 0.83 -0.60 120.40 122.39 3a1c s VAL 546 Ca 0.11 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.55 3a1c s VAL 546 Cb -0.12 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3a1c s VAL 546 CO 0.02 0.37 -0.13 -0.94 0.00 0.00 0.00 175.10 174.42 3a1c s SER 547 N 0.17 2.05 -0.06 3.32 1.04 -0.42 -0.82 113.70 118.99 3a1c s SER 547 Ca -0.05 -0.88 -0.02 0.00 0.48 0.00 0.00 55.95 55.48 3a1c s SER 547 Cb -0.12 -0.07 0.03 0.00 0.10 0.00 0.00 66.02 65.97 3a1c s SER 547 CO 0.02 -0.18 0.02 -0.62 0.98 0.00 0.00 173.24 173.46 3a1c s ASP 548 N -2.72 1.43 0.34 7.02 2.15 -1.26 -1.35 116.67 122.28 3a1c s ASP 548 Ca 0.13 -0.03 -0.28 0.00 0.43 0.00 0.00 52.55 52.79 3a1c s ASP 548 Cb -0.03 -0.33 -0.10 0.00 -0.30 0.00 0.00 42.92 42.16 3a1c s ASP 548 CO 0.03 -0.22 1.27 -0.89 -0.17 0.00 0.00 175.17 175.20 3a1c s THR 549 N 2.04 2.81 0.46 1.71 2.01 -1.26 -4.75 115.64 118.67 3a1c s THR 549 Ca 0.05 0.80 -0.25 0.00 0.31 0.00 0.00 61.69 62.60 3a1c s THR 549 Cb -0.12 -3.50 -0.08 0.00 0.01 0.00 0.00 72.50 68.81 3a1c s THR 549 CO -0.04 0.17 1.44 -0.76 -0.69 0.00 0.00 174.62 174.73 3a1c s LEU 550 N -1.91 4.09 0.55 4.42 1.43 -1.26 -1.06 118.68 124.95 3a1c s LEU 550 Ca 0.50 2.94 -0.21 0.00 -1.03 0.00 0.00 54.13 56.33 3a1c s LEU 550 Cb -0.38 -3.95 -0.05 0.00 0.03 0.00 0.00 46.19 41.84 3a1c s LEU 550 CO 0.50 -1.22 1.36 -0.54 0.23 0.00 0.00 176.35 176.67 3a1c s LYS 551 N -2.49 3.10 0.41 1.70 1.02 0.41 -4.70 119.74 119.19 3a1c s LYS 551 Ca 0.62 2.23 0.18 0.00 0.02 0.00 0.00 55.97 59.02 3a1c s LYS 551 Cb -0.44 -2.23 1.10 0.00 -0.52 0.00 0.00 37.83 35.74 3a1c s LYS 551 CO 0.57 -1.22 1.80 0.93 -0.92 0.00 0.00 175.35 176.51 3a1c h GLU 552 N 1.40 0.38 0.00 1.68 5.08 -1.93 -2.34 114.58 118.85 3a1c h GLU 552 Ca -0.51 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3a1c h GLU 552 Cb 1.30 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3a1c h GLU 552 CO 0.57 0.25 0.00 -1.13 -1.00 0.00 0.00 179.01 177.70 3a1c n SER 553 N -4.57 0.33 0.34 1.42 3.41 -1.26 -4.29 113.62 109.00 3a1c n SER 553 Ca 0.23 0.53 -0.17 0.00 -0.26 0.00 0.00 58.87 59.20 3a1c n SER 553 Cb 0.82 -0.62 -0.09 0.00 -0.26 0.00 0.00 64.21 64.06 3a1c n SER 553 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a1c h ALA 554 N 2.77 -0.84 0.03 7.33 0.00 -1.73 -2.02 119.26 124.81 3a1c h ALA 554 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3a1c h ALA 554 Cb 0.58 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3a1c h ALA 554 CO 0.00 -0.93 -0.17 -0.22 0.00 0.00 0.00 179.25 177.92 3a1c h LYS 555 N -0.91 -0.29 -0.30 0.00 3.64 -1.78 -1.39 116.57 115.53 3a1c h LYS 555 Ca -0.09 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 3a1c h LYS 555 Cb 0.67 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 3a1c h LYS 555 CO 0.14 -0.19 0.07 -1.00 -2.27 0.00 0.00 179.45 176.19 3a1c h PRO 556 N -0.30 0.44 -0.11 1.90 0.13 -1.79 -0.07 132.00 132.19 3a1c h PRO 556 Ca 0.04 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 3a1c h PRO 556 Cb 0.35 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.40 3a1c h PRO 556 CO -0.14 0.42 0.02 0.00 -0.23 0.00 0.00 178.00 178.07 3a1c h ALA 557 N 1.64 0.15 -0.58 -0.56 0.00 -1.10 -0.73 119.26 118.08 3a1c h ALA 557 Ca 0.10 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3a1c h ALA 557 Cb 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3a1c h ALA 557 CO -0.00 -0.20 0.37 0.28 0.00 0.00 0.00 179.25 179.70 3a1c h VAL 558 N -0.04 1.11 -0.51 0.00 2.07 -1.07 -1.23 116.25 116.58 3a1c h VAL 558 Ca 0.03 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.33 3a1c h VAL 558 Cb 0.29 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 3a1c h VAL 558 CO 0.00 0.14 0.29 1.56 0.02 0.00 0.00 177.57 179.58 3a1c h GLN 559 N 0.75 0.55 -0.46 1.57 4.20 -0.75 -0.70 115.11 120.27 3a1c h GLN 559 Ca 0.22 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.81 3a1c h GLN 559 Cb -0.04 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 3a1c h GLN 559 CO -0.07 0.36 -0.07 0.93 -0.67 0.00 0.00 178.83 179.31 3a1c h GLU 560 N 0.57 0.86 -0.36 1.46 4.39 -0.77 -0.67 114.58 120.07 3a1c h GLU 560 Ca 0.21 -0.31 0.01 0.00 0.34 0.00 0.00 59.36 59.62 3a1c h GLU 560 Cb 0.07 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 3a1c h GLU 560 CO -0.12 0.95 0.21 -0.07 -1.16 0.00 0.00 179.01 178.81 3a1c h LEU 561 N 0.70 0.34 -0.81 1.33 3.38 -0.99 -1.99 115.31 117.26 3a1c h LEU 561 Ca 0.12 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3a1c h LEU 561 Cb 0.61 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 3a1c h LEU 561 CO 0.04 0.25 0.52 0.11 0.09 0.00 0.00 178.44 179.45 3a1c h LYS 562 N 0.43 1.00 0.00 1.13 1.57 -0.90 -1.67 116.57 118.12 3a1c h LYS 562 Ca 0.14 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3a1c h LYS 562 Cb 0.00 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 3a1c h LYS 562 CO -0.06 0.66 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.39 3a1c h ARG 563 N 1.03 0.00 -0.01 3.15 2.43 -0.76 -0.80 114.38 119.42 3a1c h ARG 563 Ca 0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 3a1c h ARG 563 Cb -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3a1c h ARG 563 CO -0.11 0.00 -0.01 -1.33 -1.51 0.00 0.00 179.97 177.01 3a1c n MET 564 N -4.23 1.16 -0.67 0.20 2.81 -0.68 -4.91 117.12 110.80 3a1c n MET 564 Ca -0.03 -0.32 0.00 0.00 -1.81 0.00 0.00 57.70 55.54 3a1c n MET 564 Cb 0.09 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 3a1c n MET 564 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a1c n GLY 565 N 1.09 0.62 3.79 3.03 0.00 -0.31 -5.06 105.19 108.35 3a1c n GLY 565 Ca 0.21 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 3a1c n GLY 565 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1c s ILE 566 N -2.00 5.39 0.13 -0.61 1.01 -0.91 -4.98 121.20 119.23 3a1c s ILE 566 Ca 0.00 0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.67 3a1c s ILE 566 Cb 0.00 -3.50 -0.07 0.00 0.01 0.00 0.00 42.46 38.90 3a1c s ILE 566 CO 0.00 0.50 1.22 -0.54 0.00 0.00 0.00 174.94 176.12 3a1c s LYS 567 N -0.17 4.45 -0.10 2.79 1.02 -0.23 -3.91 119.74 123.59 3a1c s LYS 567 Ca 0.13 1.87 0.04 0.00 0.02 0.00 0.00 55.97 58.02 3a1c s LYS 567 Cb -0.12 -3.28 -0.00 0.00 -0.52 0.00 0.00 37.83 33.91 3a1c s LYS 567 CO 0.02 -0.19 -0.22 0.08 -0.92 0.00 0.00 175.35 174.12 3a1c s VAL 568 N 0.49 2.25 0.31 3.17 1.01 -1.26 -0.27 120.40 126.10 3a1c s VAL 568 Ca 0.56 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.63 3a1c s VAL 568 Cb -0.32 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3a1c s VAL 568 CO 0.33 0.56 0.19 -0.83 0.00 0.00 0.00 175.10 175.35 3a1c s GLY 569 N 0.26 2.11 0.01 4.51 0.00 0.19 0.44 107.32 114.84 3a1c s GLY 569 Ca -0.15 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 42.76 3a1c s GLY 569 CO 0.08 -1.54 -0.02 -0.29 0.00 0.00 0.00 173.10 171.33 3a1c s MET 570 N -3.73 0.18 -0.02 2.90 1.75 -0.84 -1.23 119.30 118.30 3a1c s MET 570 Ca 0.37 -0.26 0.05 0.00 -1.25 0.00 0.00 55.69 54.60 3a1c s MET 570 Cb 0.04 -0.03 -0.01 0.00 2.84 0.00 0.00 34.83 37.67 3a1c s MET 570 CO 0.20 0.00 -0.18 -1.50 -0.65 0.00 0.00 175.02 172.89 3a1c s ILE 571 N -0.55 1.45 -0.04 10.11 2.07 -0.34 -0.83 121.20 133.07 3a1c s ILE 571 Ca -0.05 -0.77 -0.27 0.00 -1.41 0.00 0.00 60.65 58.15 3a1c s ILE 571 Cb -0.04 -1.22 0.06 0.00 0.13 0.00 0.00 42.46 41.39 3a1c s ILE 571 CO -0.00 0.41 0.59 0.28 -1.91 0.00 0.00 174.94 174.31 3a1c s THR 572 N -0.29 0.01 -1.26 4.00 -1.32 -0.39 -2.22 115.64 114.18 3a1c s THR 572 Ca 0.04 -0.12 0.29 0.00 -1.21 0.00 0.00 61.69 60.68 3a1c s THR 572 Cb -0.08 -0.90 0.32 0.00 -1.51 0.00 0.00 72.50 70.32 3a1c s THR 572 CO 0.00 -0.07 1.86 0.61 -2.21 0.00 0.00 174.62 174.82 3a1c n GLY 573 N 1.01 -1.27 3.86 6.08 0.00 -1.26 -1.76 105.19 111.84 3a1c n GLY 573 Ca -0.20 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 3a1c n GLY 573 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a1c s ASP 574 N -2.77 4.08 0.63 1.61 1.01 -1.26 -3.92 116.67 116.04 3a1c s ASP 574 Ca 0.20 0.83 -0.17 0.00 0.71 0.00 0.00 52.55 54.13 3a1c s ASP 574 Cb 0.19 -1.34 -0.02 0.00 1.01 0.00 0.00 42.92 42.77 3a1c s ASP 574 CO 0.53 -2.18 1.14 0.54 0.21 0.00 0.00 175.17 175.41 3a1c s ASN 575 N -4.38 5.15 0.19 0.27 2.20 -1.26 -1.28 114.94 115.83 3a1c s ASN 575 Ca 0.63 2.16 -0.12 0.00 -0.94 0.00 0.00 52.86 54.59 3a1c s ASN 575 Cb -0.12 -2.57 0.14 0.00 -2.00 0.00 0.00 41.25 36.69 3a1c s ASN 575 CO 0.51 -1.61 1.83 -0.50 -2.94 0.00 0.00 177.10 174.39 3a1c h TRP 576 N 0.42 0.68 -0.45 1.54 4.06 -1.94 -2.02 115.95 118.25 3a1c h TRP 576 Ca -0.48 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.47 3a1c h TRP 576 Cb 1.27 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 29.18 3a1c h TRP 576 CO 0.51 0.39 0.21 -0.09 -3.56 0.00 0.00 178.44 175.90 3a1c h ARG 577 N 0.72 0.64 -0.45 0.49 2.43 -1.92 0.23 114.38 116.52 3a1c h ARG 577 Ca 0.24 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 3a1c h ARG 577 Cb 0.02 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3a1c h ARG 577 CO -0.10 0.56 -0.05 1.03 -1.51 0.00 0.00 179.97 179.89 3a1c h SER 578 N 0.58 0.83 -0.91 -3.80 0.87 -1.54 -1.88 113.55 107.69 3a1c h SER 578 Ca 0.15 -0.34 0.04 0.00 -1.23 0.00 0.00 61.79 60.41 3a1c h SER 578 Cb 0.13 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 61.81 3a1c h SER 578 CO -0.02 0.97 0.60 0.00 -0.53 0.00 0.00 176.83 177.85 3a1c h ALA 579 N 0.89 1.42 0.00 6.23 0.00 -1.03 -1.38 119.26 125.39 3a1c h ALA 579 Ca 0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3a1c h ALA 579 Cb 0.57 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3a1c h ALA 579 CO 0.03 0.49 -0.24 0.93 0.00 0.00 0.00 179.25 180.46 3a1c h GLU 580 N 1.14 0.00 -0.45 0.00 4.39 -0.82 0.21 114.58 119.06 3a1c h GLU 580 Ca 0.36 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.01 3a1c h GLU 580 Cb 0.02 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 3a1c h GLU 580 CO -0.11 0.24 0.06 0.00 -1.16 0.00 0.00 179.01 178.05 3a1c h ALA 581 N 1.76 0.59 -0.67 3.43 0.00 -0.54 -1.45 119.26 122.39 3a1c h ALA 581 Ca -0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3a1c h ALA 581 Cb 1.14 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3a1c h ALA 581 CO 0.03 0.32 0.17 0.82 0.00 0.00 0.00 179.25 180.59 3a1c h ILE 582 N 0.60 1.25 -0.88 0.00 2.04 -0.99 -1.95 117.51 117.60 3a1c h ILE 582 Ca 0.13 -0.93 0.08 0.00 1.00 0.00 0.00 64.86 65.14 3a1c h ILE 582 Cb 0.40 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 3a1c h ILE 582 CO 0.01 0.35 0.54 -1.28 0.00 0.00 0.00 178.15 177.77 3a1c h SER 583 N 1.00 0.83 -0.04 1.72 0.87 -0.78 -0.63 113.55 116.51 3a1c h SER 583 Ca 0.21 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 3a1c h SER 583 Cb 0.35 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3a1c h SER 583 CO 0.00 0.51 0.02 -0.09 -0.53 0.00 0.00 176.83 176.74 3a1c h ARG 584 N 0.95 0.05 -0.82 2.24 2.43 -0.89 0.22 114.38 118.57 3a1c h ARG 584 Ca 0.40 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.62 3a1c h ARG 584 Cb 0.24 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.73 3a1c h ARG 584 CO -0.20 0.16 0.53 0.93 -1.51 0.00 0.00 179.97 179.88 3a1c h GLU 585 N -0.06 0.88 -0.01 0.20 5.08 -0.59 -2.78 114.58 117.29 3a1c h GLU 585 Ca 0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3a1c h GLU 585 Cb 0.12 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3a1c h GLU 585 CO -0.00 0.58 -0.53 1.28 -1.00 0.00 0.00 179.01 179.34 3a1c n LEU 586 N -4.48 1.74 -3.87 1.33 4.77 -0.32 -4.98 117.00 111.19 3a1c n LEU 586 Ca 0.12 -0.71 -0.35 0.00 -0.03 0.00 0.00 56.01 55.04 3a1c n LEU 586 Cb 0.20 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 3a1c n LEU 586 CO 0.33 0.34 -0.15 -3.20 -1.33 0.00 0.00 177.39 173.38 3a1c n ASN 587 N -0.31 -3.76 -4.77 -1.43 4.05 0.71 -4.84 115.26 104.93 3a1c n ASN 587 Ca 0.08 -1.11 -0.32 0.00 0.45 0.00 0.00 54.58 53.67 3a1c n ASN 587 Cb 0.41 -2.75 0.06 0.00 1.23 0.00 0.00 39.78 38.73 3a1c n ASN 587 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3a1c s LEU 588 N -6.89 3.27 0.18 1.20 1.43 -0.85 -4.98 118.68 112.04 3a1c s LEU 588 Ca 0.37 1.95 0.22 0.00 -1.03 0.00 0.00 54.13 55.65 3a1c s LEU 588 Cb -0.16 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.48 3a1c s LEU 588 CO 0.90 -1.78 0.98 0.47 0.23 0.00 0.00 176.35 177.15 3a1c n ASP 589 N -2.78 0.78 -3.72 2.29 10.43 0.17 -4.94 116.55 118.79 3a1c n ASP 589 Ca 0.10 0.30 -0.12 0.00 2.57 0.00 0.00 54.79 57.65 3a1c n ASP 589 Cb 0.52 0.55 -0.11 0.00 1.84 0.00 0.00 41.12 43.92 3a1c n ASP 589 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3a1c s LEU 590 N -5.32 0.26 -0.07 0.64 1.43 -1.16 -4.97 118.68 109.49 3a1c s LEU 590 Ca -0.01 0.74 0.03 0.00 -1.03 0.00 0.00 54.13 53.85 3a1c s LEU 590 Cb 0.10 1.13 0.01 0.00 0.03 0.00 0.00 46.19 47.46 3a1c s LEU 590 CO 0.80 -0.17 -0.16 -0.69 0.23 0.00 0.00 176.35 176.37 3a1c s VAL 591 N 1.03 1.38 -0.29 -1.59 1.01 -1.26 -1.99 120.40 118.69 3a1c s VAL 591 Ca -0.07 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3a1c s VAL 591 Cb -0.07 -1.23 0.08 0.00 0.00 0.00 0.00 36.38 35.16 3a1c s VAL 591 CO -0.08 0.41 0.03 -0.63 0.00 0.00 0.00 175.10 174.83 3a1c s ILE 592 N 0.49 1.43 0.41 2.22 1.01 -0.01 -4.98 121.20 121.78 3a1c s ILE 592 Ca -0.14 -1.54 0.07 0.00 0.00 0.00 0.00 60.65 59.04 3a1c s ILE 592 Cb -0.16 -1.94 -0.07 0.00 0.01 0.00 0.00 42.46 40.30 3a1c s ILE 592 CO 0.05 -0.44 0.04 0.00 0.00 0.00 0.00 174.94 174.59 3a1c s ALA 593 N 1.37 3.25 -1.44 9.38 0.00 -1.26 -1.27 121.76 131.79 3a1c s ALA 593 Ca 0.04 -2.27 -0.07 0.00 0.00 0.00 0.00 51.96 49.66 3a1c s ALA 593 Cb -0.18 0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.04 3a1c s ALA 593 CO -0.14 -0.13 0.61 0.39 0.00 0.00 0.00 175.76 176.49 3a1c n GLU 594 N -1.02 -4.47 -2.28 0.00 1.02 -0.40 -4.89 120.64 108.61 3a1c n GLU 594 Ca -0.04 0.71 -0.42 0.00 -0.02 0.00 0.00 57.16 57.38 3a1c n GLU 594 Cb 0.67 -5.52 -0.03 0.00 -0.02 0.00 0.00 31.44 26.54 3a1c n GLU 594 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3a1c s VAL 595 N -3.09 3.96 0.77 2.62 1.01 -0.78 -4.94 120.40 119.94 3a1c s VAL 595 Ca 0.38 1.24 -0.12 0.00 0.00 0.00 0.00 61.98 63.47 3a1c s VAL 595 Cb -0.18 -3.80 0.06 0.00 0.00 0.00 0.00 36.38 32.46 3a1c s VAL 595 CO 0.47 -0.06 1.13 -0.76 0.00 0.00 0.00 175.10 175.88 3a1c s LEU 596 N 3.09 3.13 0.26 3.92 1.43 -1.26 -4.43 118.68 124.83 3a1c s LEU 596 Ca 0.62 2.05 -0.28 0.00 -1.03 0.00 0.00 54.13 55.48 3a1c s LEU 596 Cb -0.27 -4.55 -0.15 0.00 0.03 0.00 0.00 46.19 41.24 3a1c s LEU 596 CO 0.22 -2.22 0.89 -2.65 0.23 0.00 0.00 176.35 172.82 3a1c n PRO 597 N -3.26 1.00 -1.60 1.29 -0.02 -1.26 -1.37 135.00 129.77 3a1c n PRO 597 Ca 0.11 0.35 -0.09 0.00 -2.02 0.00 0.00 63.50 61.84 3a1c n PRO 597 Cb 0.52 -1.63 -0.03 0.00 -0.02 0.00 0.00 33.50 32.34 3a1c n PRO 597 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3a1c n HIS 598 N 0.21 -0.83 1.06 6.00 1.44 -1.26 -4.81 115.22 117.02 3a1c n HIS 598 Ca 0.12 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.94 3a1c n HIS 598 Cb 0.30 -2.19 0.09 0.00 0.12 0.00 0.00 29.99 28.30 3a1c n HIS 598 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3a1c n GLN 599 N -1.94 0.65 -0.25 -1.40 1.13 -0.47 -4.46 117.38 110.64 3a1c n GLN 599 Ca -0.10 -0.49 -0.06 0.00 -1.94 0.00 0.00 57.00 54.41 3a1c n GLN 599 Cb 0.39 -1.49 0.05 0.00 0.11 0.00 0.00 30.24 29.30 3a1c n GLN 599 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 3a1c h LYS 600 N 1.20 0.97 -0.02 -1.09 1.57 -1.88 -0.97 116.57 116.35 3a1c h LYS 600 Ca 0.00 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.58 3a1c h LYS 600 Cb 0.60 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3a1c h LYS 600 CO 0.00 0.72 -0.40 0.66 -0.57 0.00 0.00 179.45 179.86 3a1c h SER 601 N 0.96 0.04 -0.38 0.86 4.64 -1.88 -1.64 113.55 116.15 3a1c h SER 601 Ca 0.25 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.47 3a1c h SER 601 Cb 0.03 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 3a1c h SER 601 CO -0.04 0.44 -0.05 -0.08 -0.87 0.00 0.00 176.83 176.23 3a1c h GLU 602 N 0.03 0.79 -0.33 4.77 4.57 -1.64 -0.66 114.58 122.11 3a1c h GLU 602 Ca 0.00 -0.23 -0.16 0.00 -1.18 0.00 0.00 59.36 57.79 3a1c h GLU 602 Cb 0.72 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.23 3a1c h GLU 602 CO 0.05 0.82 -0.42 0.93 -1.18 0.00 0.00 179.01 179.22 3a1c h GLU 603 N 0.73 0.86 -0.36 1.92 4.39 -0.67 -1.08 114.58 120.38 3a1c h GLU 603 Ca 0.13 -0.49 0.05 0.00 0.34 0.00 0.00 59.36 59.39 3a1c h GLU 603 Cb 0.51 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.15 3a1c h GLU 603 CO 0.03 1.13 0.09 0.28 -1.16 0.00 0.00 179.01 179.38 3a1c h VAL 604 N 0.65 0.84 -0.87 3.13 2.07 -1.15 -1.68 116.25 119.25 3a1c h VAL 604 Ca 0.04 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3a1c h VAL 604 Cb 1.02 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3a1c h VAL 604 CO 0.10 0.04 0.57 0.50 0.02 0.00 0.00 177.57 178.80 3a1c h LYS 605 N 0.22 1.15 -0.40 1.57 3.64 -0.86 -0.07 116.57 121.81 3a1c h LYS 605 Ca 0.17 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3a1c h LYS 605 Cb 0.18 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3a1c h LYS 605 CO -0.21 0.76 0.25 0.87 -2.27 0.00 0.00 179.45 178.86 3a1c h LYS 606 N 1.18 0.54 -0.65 1.90 1.57 -0.95 -2.65 116.57 117.51 3a1c h LYS 606 Ca 0.32 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 59.01 3a1c h LYS 606 Cb -0.13 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.03 3a1c h LYS 606 CO -0.07 0.38 0.22 1.25 -0.57 0.00 0.00 179.45 180.67 3a1c h LEU 607 N 0.53 0.90 -1.80 2.94 5.85 -0.79 -2.48 115.31 120.47 3a1c h LEU 607 Ca 0.15 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3a1c h LEU 607 Cb -0.03 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.77 3a1c h LEU 607 CO -0.03 0.83 0.02 1.56 -0.34 0.00 0.00 178.44 180.48 3a1c h GLN 608 N 0.94 0.00 -0.17 1.25 4.20 -0.65 -1.48 115.11 119.21 3a1c h GLN 608 Ca 0.21 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.97 3a1c h GLN 608 Cb 0.24 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 3a1c h GLN 608 CO -0.01 0.00 0.12 0.00 -0.67 0.00 0.00 178.83 178.27 3a1c h ALA 609 N 1.95 2.14 0.00 3.87 0.00 -1.39 -3.28 119.26 122.55 3a1c h ALA 609 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a1c h ALA 609 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3a1c h ALA 609 CO 0.00 -0.21 -0.13 0.36 0.00 0.00 0.00 179.25 179.27 3a1c n LYS 610 N -4.45 4.77 -4.41 0.00 2.85 -0.83 -5.09 118.16 111.00 3a1c n LYS 610 Ca 0.01 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.05 3a1c n LYS 610 Cb 0.26 -0.47 -0.10 0.00 -0.65 0.00 0.00 35.03 34.06 3a1c n LYS 610 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3a1c s GLU 611 N -0.91 1.50 -0.36 -1.58 0.41 -0.62 -5.10 118.70 112.03 3a1c s GLU 611 Ca 0.00 -1.63 -0.16 0.00 -0.41 0.00 0.00 54.97 52.78 3a1c s GLU 611 Cb 0.00 -1.53 -0.00 0.00 -1.78 0.00 0.00 34.13 30.81 3a1c s GLU 611 CO 0.00 0.29 0.37 0.08 -0.49 0.00 0.00 175.26 175.52 3a1c s VAL 612 N -2.44 5.16 -0.19 2.63 1.01 -1.26 -4.27 120.40 121.04 3a1c s VAL 612 Ca 0.24 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 3a1c s VAL 612 Cb -0.04 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3a1c s VAL 612 CO 0.11 -0.18 -0.00 -0.69 0.00 0.00 0.00 175.10 174.33 3a1c s VAL 613 N 2.02 4.01 -0.20 2.92 1.01 -1.26 -1.06 120.40 127.84 3a1c s VAL 613 Ca 0.11 -0.30 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 3a1c s VAL 613 Cb -0.17 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 3a1c s VAL 613 CO 0.12 0.45 0.24 0.00 0.00 0.00 0.00 175.10 175.90 3a1c s ALA 614 N 0.80 3.61 -0.15 5.51 0.00 -0.17 -1.19 121.76 130.17 3a1c s ALA 614 Ca 0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 3a1c s ALA 614 Cb -0.14 -2.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 3a1c s ALA 614 CO 0.02 -0.03 0.01 0.12 0.00 0.00 0.00 175.76 175.89 3a1c s PHE 615 N 0.73 3.16 -0.21 0.00 5.36 -0.21 -0.44 117.98 126.36 3a1c s PHE 615 Ca 0.13 -0.02 -0.02 0.00 -0.96 0.00 0.00 56.93 56.06 3a1c s PHE 615 Cb -0.13 -1.96 0.01 0.00 -0.34 0.00 0.00 43.02 40.60 3a1c s PHE 615 CO 0.03 0.17 -0.10 0.08 -1.46 0.00 0.00 175.22 173.94 3a1c s VAL 616 N 0.03 2.82 0.00 3.12 1.01 0.55 -0.66 120.40 127.27 3a1c s VAL 616 Ca 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3a1c s VAL 616 Cb -0.13 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.97 3a1c s VAL 616 CO 0.02 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.15 3a1c n GLY 617 N 4.71 3.60 3.61 4.51 0.00 -0.31 -0.19 105.19 121.13 3a1c n GLY 617 Ca -0.19 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 3a1c n GLY 617 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a1c s ASP 618 N 1.75 6.25 0.00 1.61 3.68 -1.26 -1.03 116.67 127.67 3a1c s ASP 618 Ca 0.00 0.29 0.00 0.00 2.13 0.00 0.00 52.55 54.97 3a1c s ASP 618 Cb 0.00 -2.21 0.00 0.00 -1.45 0.00 0.00 42.92 39.26 3a1c s ASP 618 CO 0.00 -0.17 0.63 0.61 0.13 0.00 0.00 175.17 176.37 3a1c n GLY 619 N 4.64 -0.35 0.87 2.66 0.00 -1.26 -2.12 105.19 109.63 3a1c n GLY 619 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 3a1c n GLY 619 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3a1c n ILE 620 N -0.37 0.73 0.73 -0.61 2.08 -1.26 -0.59 119.36 120.07 3a1c n ILE 620 Ca 0.00 0.13 0.12 0.00 0.56 0.00 0.00 62.75 63.56 3a1c n ILE 620 Cb 0.04 -1.64 0.22 0.00 -0.75 0.00 0.00 39.64 37.51 3a1c n ILE 620 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3a1c n ASN 621 N -3.42 0.60 -0.47 4.38 3.02 -1.22 -4.20 115.26 113.95 3a1c n ASN 621 Ca -0.06 0.02 0.07 0.00 -0.03 0.00 0.00 54.58 54.58 3a1c n ASN 621 Cb 0.35 0.16 0.19 0.00 -0.61 0.00 0.00 39.78 39.87 3a1c n ASN 621 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3a1c n ASP 622 N -1.89 1.87 -0.34 6.41 8.00 -0.90 -4.85 116.55 124.85 3a1c n ASP 622 Ca 0.04 -3.70 0.03 0.00 0.71 0.00 0.00 54.79 51.87 3a1c n ASP 622 Cb 0.40 -0.50 0.17 0.00 -0.02 0.00 0.00 41.12 41.17 3a1c n ASP 622 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a1c h ALA 623 N 0.75 1.32 -1.01 2.24 0.00 -1.74 -2.01 119.26 118.82 3a1c h ALA 623 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3a1c h ALA 623 Cb 1.00 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 3a1c h ALA 623 CO 0.00 0.34 0.67 -1.35 0.00 0.00 0.00 179.25 178.90 3a1c h PRO 624 N 1.06 1.30 -0.29 0.00 0.11 -1.95 0.16 132.00 132.39 3a1c h PRO 624 Ca 0.42 -0.08 -0.17 0.00 0.11 0.00 0.00 66.00 66.28 3a1c h PRO 624 Cb 0.22 -0.29 -0.00 0.00 0.11 0.00 0.00 31.00 31.03 3a1c h PRO 624 CO -0.19 0.86 -0.49 0.00 -0.21 0.00 0.00 178.00 177.97 3a1c h ALA 625 N 1.38 0.58 -0.92 -0.75 0.00 -1.83 -0.90 119.26 116.82 3a1c h ALA 625 Ca 0.38 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3a1c h ALA 625 Cb -0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3a1c h ALA 625 CO -0.09 0.68 0.53 -0.07 0.00 0.00 0.00 179.25 180.30 3a1c h LEU 626 N 0.63 1.12 -0.37 0.00 3.38 -0.90 -1.52 115.31 117.64 3a1c h LEU 626 Ca 0.03 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 3a1c h LEU 626 Cb 1.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3a1c h LEU 626 CO 0.11 0.87 -0.37 0.00 0.09 0.00 0.00 178.44 179.14 3a1c h ALA 627 N 1.31 0.54 -0.58 1.53 0.00 -0.82 -3.22 119.26 118.02 3a1c h ALA 627 Ca 0.33 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3a1c h ALA 627 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3a1c h ALA 627 CO -0.06 0.63 -0.01 0.37 0.00 0.00 0.00 179.25 180.18 3a1c h GLN 628 N 0.70 1.04 -7.00 0.00 5.75 -0.96 -3.45 115.11 111.19 3a1c h GLN 628 Ca 0.06 -0.34 -0.56 0.00 -0.15 0.00 0.00 58.65 57.67 3a1c h GLN 628 Cb 0.96 -0.09 0.17 0.00 1.07 0.00 0.00 27.48 29.59 3a1c h GLN 628 CO 0.09 1.03 0.24 0.00 -2.65 0.00 0.00 178.83 177.54 3a1c n ALA 629 N -2.48 0.23 -0.16 3.38 0.00 -0.59 -4.90 120.51 115.99 3a1c n ALA 629 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3a1c n ALA 629 Cb 0.35 -2.18 0.26 0.00 0.00 0.00 0.00 19.45 17.88 3a1c n ALA 629 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3a1c h ASP 630 N 0.02 0.77 -3.25 0.00 5.19 -1.46 -3.40 116.42 114.29 3a1c h ASP 630 Ca -0.48 -0.05 -0.45 0.00 -0.62 0.00 0.00 57.03 55.42 3a1c h ASP 630 Cb 1.34 -0.20 -0.38 0.00 0.18 0.00 0.00 39.33 40.27 3a1c h ASP 630 CO 0.49 0.61 -0.77 -0.22 -3.12 0.00 0.00 179.24 176.23 3a1c s LEU 631 N -9.66 0.70 -0.21 1.55 2.96 -0.83 -5.01 118.68 108.19 3a1c s LEU 631 Ca -0.10 -0.17 -0.09 0.00 -0.22 0.00 0.00 54.13 53.54 3a1c s LEU 631 Cb 0.17 -0.50 -0.05 0.00 0.50 0.00 0.00 46.19 46.32 3a1c s LEU 631 CO 0.78 -0.20 0.12 -0.83 -1.32 0.00 0.00 176.35 174.90 3a1c s GLY 632 N 1.93 1.98 -0.17 7.98 0.00 -1.24 -1.04 107.32 116.76 3a1c s GLY 632 Ca 0.04 -0.78 0.01 0.00 0.00 0.00 0.00 44.72 43.99 3a1c s GLY 632 CO -0.06 0.22 -0.16 -0.42 0.00 0.00 0.00 173.10 172.67 3a1c s ILE 633 N 0.63 1.82 0.01 0.90 1.01 0.17 -0.66 121.20 125.08 3a1c s ILE 633 Ca 0.07 -0.83 -0.16 0.00 0.00 0.00 0.00 60.65 59.73 3a1c s ILE 633 Cb -0.12 -1.69 -0.06 0.00 0.01 0.00 0.00 42.46 40.60 3a1c s ILE 633 CO 0.01 0.46 0.44 0.00 0.00 0.00 0.00 174.94 175.85 3a1c s ALA 634 N 1.38 3.67 -0.04 9.38 0.00 -0.01 -1.16 121.76 134.98 3a1c s ALA 634 Ca 0.04 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 51.89 3a1c s ALA 634 Cb -0.13 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.53 3a1c s ALA 634 CO -0.11 0.46 -0.20 0.08 0.00 0.00 0.00 175.76 175.98 3a1c s VAL 635 N -1.06 2.52 -0.47 0.00 1.01 -0.20 0.02 120.40 122.22 3a1c s VAL 635 Ca 0.25 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 3a1c s VAL 635 Cb -0.17 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.27 3a1c s VAL 635 CO 0.14 0.58 0.40 0.61 0.00 0.00 0.00 175.10 176.83 3a1c n GLY 636 N 2.47 0.27 0.18 4.51 0.00 -0.27 -4.72 105.19 107.63 3a1c n GLY 636 Ca -0.17 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.58 3a1c n GLY 636 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a1c h SER 637 N -0.84 0.00 -3.48 1.61 4.64 -1.05 -3.46 113.55 110.97 3a1c h SER 637 Ca -0.21 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.14 3a1c h SER 637 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 3a1c h SER 637 CO 0.19 0.42 -0.04 0.61 -0.87 0.00 0.00 176.83 177.15 3a1c n GLY 638 N -0.10 -1.95 0.03 -0.77 0.00 -0.37 -4.41 105.19 97.63 3a1c n GLY 638 Ca -0.01 -1.37 0.13 0.00 0.00 0.00 0.00 46.02 44.77 3a1c n GLY 638 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a1c n SER 639 N -0.51 0.19 -4.52 1.61 3.41 -1.26 -4.50 113.62 108.04 3a1c n SER 639 Ca 0.00 0.52 -0.38 0.00 -0.26 0.00 0.00 58.87 58.75 3a1c n SER 639 Cb 0.05 -0.57 -0.11 0.00 -0.26 0.00 0.00 64.21 63.31 3a1c n SER 639 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a1c s ASP 640 N -3.36 5.78 -0.11 4.04 -1.08 -1.26 -4.96 116.67 115.72 3a1c s ASP 640 Ca 0.12 -0.22 0.15 0.00 -0.52 0.00 0.00 52.55 52.07 3a1c s ASP 640 Cb 0.16 -2.07 0.49 0.00 -1.46 0.00 0.00 42.92 40.04 3a1c s ASP 640 CO 0.50 -0.11 1.40 1.33 0.52 0.00 0.00 175.17 178.81 3a1c n VAL 641 N 5.03 1.78 -0.17 1.11 0.24 -1.26 -4.77 118.33 120.29 3a1c n VAL 641 Ca -0.14 -1.45 -0.02 0.00 -2.04 0.00 0.00 64.34 60.68 3a1c n VAL 641 Cb 0.51 0.07 0.07 0.00 -1.47 0.00 0.00 33.84 33.02 3a1c n VAL 641 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a1c h ALA 642 N 2.29 0.63 -0.00 2.33 0.00 -1.97 -3.32 119.26 119.22 3a1c h ALA 642 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3a1c h ALA 642 Cb 1.21 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3a1c h ALA 642 CO 0.15 -0.24 -0.34 1.33 0.00 0.00 0.00 179.25 180.16 3a1c n VAL 643 N -5.03 0.00 -2.17 0.00 0.24 -1.26 -4.99 118.33 105.12 3a1c n VAL 643 Ca 0.06 -0.33 -0.42 0.00 -2.04 0.00 0.00 64.34 61.61 3a1c n VAL 643 Cb 0.23 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.62 3a1c n VAL 643 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3a1c s GLU 644 N -1.65 4.31 0.49 7.34 8.01 -1.25 -4.86 118.70 131.10 3a1c s GLU 644 Ca 0.06 2.07 -0.10 0.00 0.01 0.00 0.00 54.97 57.00 3a1c s GLU 644 Cb 0.08 -3.31 -0.05 0.00 -4.31 0.00 0.00 34.13 26.53 3a1c s GLU 644 CO 0.33 -0.47 0.87 -1.12 0.01 0.00 0.00 175.26 174.88 3a1c s SER 645 N 1.28 6.41 0.00 -0.19 0.01 0.25 -5.03 113.70 116.43 3a1c s SER 645 Ca 0.65 1.23 0.00 0.00 1.31 0.00 0.00 55.95 59.14 3a1c s SER 645 Cb -0.36 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.49 3a1c s SER 645 CO 0.30 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.97 3a1c n GLY 646 N -1.92 3.99 0.08 3.44 0.00 -1.26 -4.34 105.19 105.18 3a1c n GLY 646 Ca 0.04 -1.65 -0.06 0.00 0.00 0.00 0.00 46.02 44.35 3a1c n GLY 646 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3a1c h ASP 647 N 0.00 0.01 -3.72 1.61 5.19 -1.22 -3.45 116.42 114.84 3a1c h ASP 647 Ca 0.00 -0.01 -0.42 0.00 -0.62 0.00 0.00 57.03 55.98 3a1c h ASP 647 Cb 0.00 -0.00 -0.31 0.00 0.18 0.00 0.00 39.33 39.19 3a1c h ASP 647 CO 0.00 0.91 -0.78 -0.63 -3.12 0.00 0.00 179.24 175.61 3a1c s ILE 648 N -2.94 0.74 -0.12 0.35 1.01 -0.82 -0.96 121.20 118.45 3a1c s ILE 648 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.36 3a1c s ILE 648 Cb 0.11 -0.67 0.01 0.00 0.01 0.00 0.00 42.46 41.92 3a1c s ILE 648 CO 0.81 0.24 -0.19 -0.69 0.00 0.00 0.00 174.94 175.11 3a1c s VAL 649 N 0.35 1.79 -0.23 2.92 1.01 0.10 -0.83 120.40 125.50 3a1c s VAL 649 Ca -0.05 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 3a1c s VAL 649 Cb -0.10 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 3a1c s VAL 649 CO 0.01 0.50 0.23 -0.76 0.00 0.00 0.00 175.10 175.07 3a1c s LEU 650 N 0.89 4.12 0.13 3.92 1.43 0.10 -0.58 118.68 128.70 3a1c s LEU 650 Ca -0.07 0.22 -0.16 0.00 -1.03 0.00 0.00 54.13 53.08 3a1c s LEU 650 Cb -0.15 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 3a1c s LEU 650 CO -0.01 0.02 1.69 0.40 0.23 0.00 0.00 176.35 178.67 3a1c h ILE 651 N 5.03 1.18 -3.77 -0.59 1.08 -1.61 -0.33 117.51 118.51 3a1c h ILE 651 Ca -0.37 -0.55 -0.48 0.00 -0.39 0.00 0.00 64.86 63.07 3a1c h ILE 651 Cb 1.17 0.85 0.05 0.00 -3.07 0.00 0.00 36.82 35.82 3a1c h ILE 651 CO 0.67 0.20 0.20 -0.13 -0.69 0.00 0.00 178.15 178.40 3a1c s ARG 652 N -5.61 3.15 0.22 2.37 0.52 -1.26 -1.23 118.95 117.10 3a1c s ARG 652 Ca -0.13 0.16 0.25 0.00 -0.52 0.00 0.00 55.73 55.49 3a1c s ARG 652 Cb 0.10 -2.26 0.65 0.00 0.52 0.00 0.00 34.95 33.96 3a1c s ARG 652 CO 0.74 -0.58 1.65 -0.44 0.02 0.00 0.00 175.30 176.70 3a1c h ASP 653 N -0.12 0.00 -2.57 0.23 3.32 -1.89 -1.18 116.42 114.21 3a1c h ASP 653 Ca -0.46 -0.04 -0.56 0.00 0.02 0.00 0.00 57.03 55.99 3a1c h ASP 653 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 3a1c h ASP 653 CO 0.61 0.02 1.17 -0.62 -1.72 0.00 0.00 179.24 178.71 3a1c s ASP 654 N -4.66 6.36 0.28 6.45 -1.08 -1.26 -4.83 116.67 117.93 3a1c s ASP 654 Ca 0.09 1.98 0.24 0.00 -0.52 0.00 0.00 52.55 54.34 3a1c s ASP 654 Cb 0.12 -2.53 1.02 0.00 -1.46 0.00 0.00 42.92 40.06 3a1c s ASP 654 CO 0.63 -1.22 1.72 0.18 0.52 0.00 0.00 175.17 177.01 3a1c n LEU 655 N 8.32 0.70 0.30 -1.34 4.77 -1.26 -1.54 117.00 126.95 3a1c n LEU 655 Ca 0.20 0.68 0.18 0.00 -0.03 0.00 0.00 56.01 57.04 3a1c n LEU 655 Cb 0.44 -0.60 0.93 0.00 -2.33 0.00 0.00 43.42 41.86 3a1c n LEU 655 CO 0.65 -0.60 1.08 0.03 -1.33 0.00 0.00 177.39 177.21 3a1c h ARG 656 N 0.00 0.00 0.00 3.23 3.08 -1.90 -1.30 114.38 117.49 3a1c h ARG 656 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3a1c h ARG 656 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 3a1c h ARG 656 CO 0.00 0.04 -0.16 -0.44 -1.07 0.00 0.00 179.97 178.34 3a1c h ASP 657 N 0.00 0.00 -0.24 7.04 3.45 -1.67 -0.03 116.42 124.97 3a1c h ASP 657 Ca -0.00 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.40 3a1c h ASP 657 Cb 0.21 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 3a1c h ASP 657 CO 0.00 0.16 -0.07 0.58 -1.57 0.00 0.00 179.24 178.35 3a1c h VAL 658 N 0.00 1.29 -0.33 -1.35 2.07 -1.41 -0.72 116.25 115.80 3a1c h VAL 658 Ca -0.00 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.45 3a1c h VAL 658 Cb 0.63 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 3a1c h VAL 658 CO 0.02 0.33 0.20 0.58 0.02 0.00 0.00 177.57 178.73 3a1c h VAL 659 N 0.20 1.05 -0.78 2.57 2.07 -1.46 -2.14 116.25 117.75 3a1c h VAL 659 Ca 0.06 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.51 3a1c h VAL 659 Cb 0.53 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 3a1c h VAL 659 CO 0.03 0.08 0.46 0.00 0.02 0.00 0.00 177.57 178.15 3a1c h ALA 660 N 1.14 1.08 -0.34 1.67 0.00 -0.91 0.19 119.26 122.09 3a1c h ALA 660 Ca 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3a1c h ALA 660 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3a1c h ALA 660 CO -0.05 0.15 0.12 0.00 0.00 0.00 0.00 179.25 179.47 3a1c h ALA 661 N 1.40 0.45 -0.45 0.00 0.00 -0.85 -1.83 119.26 117.97 3a1c h ALA 661 Ca 0.35 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3a1c h ALA 661 Cb 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3a1c h ALA 661 CO -0.19 0.07 -0.16 0.82 0.00 0.00 0.00 179.25 179.79 3a1c h ILE 662 N 0.40 1.27 0.00 0.00 2.04 -0.97 -2.96 117.51 117.30 3a1c h ILE 662 Ca 0.11 -1.28 -0.02 0.00 1.00 0.00 0.00 64.86 64.67 3a1c h ILE 662 Cb 0.22 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3a1c h ILE 662 CO -0.01 0.44 -0.09 1.56 0.00 0.00 0.00 178.15 180.06 3a1c h GLN 663 N 0.77 0.00 -0.58 2.37 4.20 -0.37 -1.48 115.11 120.02 3a1c h GLN 663 Ca 0.12 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.99 3a1c h GLN 663 Cb 0.69 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 3a1c h GLN 663 CO 0.05 0.09 0.45 -0.07 -0.67 0.00 0.00 178.83 178.68 3a1c h LEU 664 N 0.00 0.00 -1.67 1.46 3.38 -1.16 -2.16 115.31 115.17 3a1c h LEU 664 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a1c h LEU 664 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3a1c h LEU 664 CO 0.01 0.00 -0.07 -1.54 0.09 0.00 0.00 178.44 176.93 3a1c n SER 665 N -4.19 2.66 0.00 -0.43 3.41 -0.56 -5.13 113.62 109.38 3a1c n SER 665 Ca 0.11 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 3a1c n SER 665 Cb 0.69 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 3a1c n SER 665 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42