#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 4.53 0.18 0.00 2.02 -1.26 -5.03 118.70 119.15 3a1c s GLU 401 Ca 0.00 1.20 -0.33 0.00 0.02 0.00 0.00 54.97 55.86 3a1c s GLU 401 Cb 0.00 -2.97 -0.15 0.00 0.10 0.00 0.00 34.13 31.11 3a1c s GLU 401 CO 0.00 0.39 1.28 -0.11 0.02 0.00 0.00 175.26 176.85 3a1c n LEU 402 N 0.91 2.11 -3.53 1.80 7.94 -1.26 -4.70 117.00 120.27 3a1c n LEU 402 Ca -0.01 1.14 -0.18 0.00 -1.11 0.00 0.00 56.01 55.84 3a1c n LEU 402 Cb 0.50 -1.29 -0.14 0.00 0.53 0.00 0.00 43.42 43.02 3a1c n LEU 402 CO 0.45 -0.96 -0.21 -0.83 -1.11 0.00 0.00 177.39 174.72 3a1c s GLY 403 N 0.20 0.03 -0.35 -3.96 0.00 -1.26 -5.03 107.32 96.95 3a1c s GLY 403 Ca 0.73 0.28 -0.05 0.00 0.00 0.00 0.00 44.72 45.69 3a1c s GLY 403 CO 0.50 2.05 0.12 -0.42 0.00 0.00 0.00 173.10 175.35 3a1c s ILE 404 N 2.31 3.50 -0.37 0.90 1.01 -1.26 -1.78 121.20 125.50 3a1c s ILE 404 Ca 0.06 -1.45 -0.18 0.00 0.00 0.00 0.00 60.65 59.08 3a1c s ILE 404 Cb -0.15 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.22 3a1c s ILE 404 CO -0.11 -0.32 0.49 -0.22 0.00 0.00 0.00 174.94 174.78 3a1c s LEU 405 N 1.30 4.49 -0.25 2.97 2.96 0.80 -4.95 118.68 126.00 3a1c s LEU 405 Ca 0.00 -0.23 -0.16 0.00 -0.22 0.00 0.00 54.13 53.52 3a1c s LEU 405 Cb -0.21 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 3a1c s LEU 405 CO -0.00 -0.52 0.40 -0.63 -1.32 0.00 0.00 176.35 174.28 3a1c s ILE 406 N 2.34 5.16 -1.90 6.68 1.01 -1.26 -0.66 121.20 132.57 3a1c s ILE 406 Ca 0.17 0.66 0.16 0.00 0.00 0.00 0.00 60.65 61.63 3a1c s ILE 406 Cb -0.16 -3.73 0.16 0.00 0.01 0.00 0.00 42.46 38.74 3a1c s ILE 406 CO 0.14 0.17 1.04 0.29 0.00 0.00 0.00 174.94 176.57 3a1c n LYS 407 N 5.14 1.36 -3.69 2.79 5.02 -0.41 -4.94 118.16 123.43 3a1c n LYS 407 Ca -0.08 -1.53 -0.10 0.00 -2.02 0.00 0.00 58.31 54.58 3a1c n LYS 407 Cb 0.51 -1.31 -0.11 0.00 -0.02 0.00 0.00 35.03 34.10 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 -1.28 -0.52 0.64 4.39 3.84 -1.25 -5.02 114.94 115.74 3a1c s ASN 408 Ca 0.20 0.91 0.39 0.00 0.21 0.00 0.00 52.86 54.57 3a1c s ASN 408 Cb 0.14 0.81 2.19 0.00 -0.55 0.00 0.00 41.25 43.84 3a1c s ASN 408 CO 0.20 -0.20 2.32 0.00 -2.79 0.00 0.00 177.10 176.63 3a1c h ALA 409 N 7.17 1.17 -0.44 1.71 0.00 -1.96 -1.29 119.26 125.63 3a1c h ALA 409 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3a1c h ALA 409 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3a1c h ALA 409 CO 0.28 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.29 3a1c n ASP 410 N -3.34 3.57 -0.32 0.00 8.00 -1.26 -4.58 116.55 118.62 3a1c n ASP 410 Ca -0.03 -2.00 -0.01 0.00 0.71 0.00 0.00 54.79 53.46 3a1c n ASP 410 Cb 0.09 -0.29 0.12 0.00 -0.02 0.00 0.00 41.12 41.02 3a1c n ASP 410 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a1c h ALA 411 N 4.52 1.16 -0.02 2.24 0.00 -1.59 -1.01 119.26 124.56 3a1c h ALA 411 Ca 0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 3a1c h ALA 411 Cb 1.00 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 18.51 3a1c h ALA 411 CO 0.00 0.39 -0.99 -0.07 0.00 0.00 0.00 179.25 178.58 3a1c h LEU 412 N 1.08 0.87 -0.46 0.00 3.38 -1.81 0.02 115.31 118.38 3a1c h LEU 412 Ca 0.35 -0.67 0.07 0.00 0.09 0.00 0.00 57.88 57.72 3a1c h LEU 412 Cb 0.03 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 3a1c h LEU 412 CO -0.12 1.47 0.13 -0.08 0.09 0.00 0.00 178.44 179.92 3a1c h GLU 413 N 0.40 0.27 -0.34 1.13 4.81 -1.79 -1.99 114.58 117.07 3a1c h GLU 413 Ca -0.11 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 3a1c h GLU 413 Cb 1.63 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.94 3a1c h GLU 413 CO 0.19 0.18 -0.03 0.28 -0.73 0.00 0.00 179.01 178.90 3a1c h VAL 414 N 0.28 1.27 -0.98 0.32 2.07 -1.14 -3.18 116.25 114.89 3a1c h VAL 414 Ca 0.22 -1.04 0.15 0.00 0.82 0.00 0.00 66.70 66.86 3a1c h VAL 414 Cb 0.26 1.26 -0.10 0.00 -1.52 0.00 0.00 31.29 31.19 3a1c h VAL 414 CO -0.27 0.34 0.59 0.00 0.02 0.00 0.00 177.57 178.26 3a1c h ALA 415 N 0.84 1.54 0.00 1.67 0.00 -0.66 0.64 119.26 123.29 3a1c h ALA 415 Ca 0.09 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3a1c h ALA 415 Cb 0.51 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3a1c h ALA 415 CO 0.02 0.06 -0.13 1.49 0.00 0.00 0.00 179.25 180.69 3a1c h GLU 416 N 0.84 0.00 0.00 0.00 4.22 -1.35 -2.61 114.58 115.68 3a1c h GLU 416 Ca 0.53 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.97 3a1c h GLU 416 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3a1c h GLU 416 CO -0.33 0.13 -0.41 1.63 -2.18 0.00 0.00 179.01 177.85 3a1c n LYS 417 N -3.36 0.16 -1.80 1.92 5.02 0.19 -4.95 118.16 115.34 3a1c n LYS 417 Ca -0.00 0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 55.94 3a1c n LYS 417 Cb 0.33 -1.62 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 3a1c n LYS 417 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3a1c s VAL 418 N -3.09 2.17 -0.04 -0.18 1.01 -0.99 -4.70 120.40 114.59 3a1c s VAL 418 Ca 0.09 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.28 3a1c s VAL 418 Cb 0.15 -3.08 -0.11 0.00 0.00 0.00 0.00 36.38 33.34 3a1c s VAL 418 CO 0.67 0.02 0.17 0.35 0.00 0.00 0.00 175.10 176.31 3a1c n THR 419 N 3.03 0.00 -3.79 3.92 -2.24 0.13 -4.92 114.28 110.41 3a1c n THR 419 Ca 0.11 -0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.57 3a1c n THR 419 Cb 0.37 0.39 -0.15 0.00 -2.10 0.00 0.00 70.33 68.83 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 -2.44 -0.03 -0.18 6.98 0.00 -1.01 -0.79 121.76 124.28 3a1c s ALA 420 Ca -0.02 0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 3a1c s ALA 420 Cb 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 3a1c s ALA 420 CO 0.30 -0.09 -0.09 0.08 0.00 0.00 0.00 175.76 175.96 3a1c s VAL 421 N 0.79 3.13 -0.21 0.00 1.01 0.29 -0.83 120.40 124.59 3a1c s VAL 421 Ca -0.06 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 3a1c s VAL 421 Cb -0.09 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 3a1c s VAL 421 CO -0.03 0.47 -0.09 -0.63 0.00 0.00 0.00 175.10 174.83 3a1c s ILE 422 N 1.05 3.01 -0.18 2.22 -1.09 0.40 -0.84 121.20 125.77 3a1c s ILE 422 Ca -0.00 -0.62 -0.11 0.00 -2.23 0.00 0.00 60.65 57.69 3a1c s ILE 422 Cb -0.15 -2.35 -0.05 0.00 -1.58 0.00 0.00 42.46 38.34 3a1c s ILE 422 CO -0.01 0.46 0.20 -0.36 -1.23 0.00 0.00 174.94 173.99 3a1c s PHE 423 N 1.38 3.44 0.17 3.97 0.08 0.04 -0.46 117.98 126.60 3a1c s PHE 423 Ca 0.05 0.45 -0.30 0.00 0.12 0.00 0.00 56.93 57.24 3a1c s PHE 423 Cb -0.14 -2.22 -0.09 0.00 -0.57 0.00 0.00 43.02 40.00 3a1c s PHE 423 CO -0.05 0.29 1.35 0.34 -0.10 0.00 0.00 175.22 177.05 3a1c s ASP 424 N 0.33 6.84 0.01 1.36 -1.08 0.14 -1.04 116.67 123.23 3a1c s ASP 424 Ca 0.12 2.40 -0.20 0.00 -0.52 0.00 0.00 52.55 54.35 3a1c s ASP 424 Cb -0.12 -2.60 -0.11 0.00 -1.46 0.00 0.00 42.92 38.63 3a1c s ASP 424 CO 0.01 -0.59 0.98 0.50 0.52 0.00 0.00 175.17 176.58 3a1c h LYS 425 N 5.86 -0.71 -0.36 4.34 3.64 -1.51 -2.89 116.57 124.95 3a1c h LYS 425 Ca -0.44 0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 58.86 3a1c h LYS 425 Cb 1.21 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 3a1c h LYS 425 CO 0.81 -0.47 -0.30 1.15 -2.27 0.00 0.00 179.45 178.36 3a1c h THR 426 N -1.00 1.28 0.00 1.00 2.02 -1.93 0.21 112.91 114.49 3a1c h THR 426 Ca -0.08 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.65 3a1c h THR 426 Cb 0.56 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 3a1c h THR 426 CO 0.12 0.48 0.00 0.61 0.37 0.00 0.00 175.52 177.10 3a1c n GLY 427 N -0.08 -0.73 0.92 2.16 0.00 -1.25 -4.55 105.19 101.66 3a1c n GLY 427 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.62 0.00 0.03 2.61 -1.04 -1.10 -3.53 114.28 109.63 3a1c n THR 428 Ca 0.01 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.04 3a1c n THR 428 Cb 0.07 -0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.49 3a1c n THR 428 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3a1c n LEU 429 N -1.96 0.71 -4.87 -4.42 4.77 0.05 -4.93 117.00 106.35 3a1c n LEU 429 Ca 0.00 0.30 -0.21 0.00 -0.03 0.00 0.00 56.01 56.07 3a1c n LEU 429 Cb 0.00 0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3a1c n LEU 429 CO 0.00 0.11 -0.08 0.42 -1.33 0.00 0.00 177.39 176.50 3a1c s THR 430 N -3.02 3.89 -1.01 -5.08 -4.23 -1.12 -0.58 115.64 104.49 3a1c s THR 430 Ca -0.04 -1.32 0.25 0.00 -1.18 0.00 0.00 61.69 59.40 3a1c s THR 430 Cb 0.09 -3.29 0.21 0.00 1.34 0.00 0.00 72.50 70.85 3a1c s THR 430 CO 0.82 -0.22 1.80 0.29 -0.54 0.00 0.00 174.62 176.76 3a1c n LYS 431 N -1.36 0.01 -2.11 3.99 5.02 -0.35 -4.67 118.16 118.69 3a1c n LYS 431 Ca -0.03 0.07 -0.10 0.00 -2.02 0.00 0.00 58.31 56.23 3a1c n LYS 431 Cb 0.59 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.09 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 1.06 0.06 2.55 0.72 0.00 -1.26 -4.98 105.19 103.34 3a1c n GLY 432 Ca 0.06 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.00 2.45 -2.27 1.61 5.02 -1.26 -5.10 118.16 116.61 3a1c n LYS 433 Ca -0.11 -4.48 -0.38 0.00 -2.02 0.00 0.00 58.31 51.31 3a1c n LYS 433 Cb 0.57 -2.10 -0.02 0.00 -0.02 0.00 0.00 35.03 33.46 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 4.07 0.04 1.97 0.04 -1.26 -4.64 135.00 132.55 3a1c s PRO 434 Ca 0.42 1.88 -0.08 0.00 0.04 0.00 0.00 61.00 63.27 3a1c s PRO 434 Cb 0.21 -2.71 -0.00 0.00 0.04 0.00 0.00 34.50 32.04 3a1c s PRO 434 CO -0.07 -0.32 0.15 -1.83 0.04 0.00 0.00 177.00 174.98 3a1c s GLU 435 N -2.25 0.65 0.06 4.56 -1.05 -0.31 -4.38 118.70 115.99 3a1c s GLU 435 Ca 0.56 -0.70 -0.31 0.00 -0.15 0.00 0.00 54.97 54.38 3a1c s GLU 435 Cb -0.32 0.26 -0.07 0.00 -0.44 0.00 0.00 34.13 33.57 3a1c s GLU 435 CO 0.40 -0.18 1.36 0.08 0.95 0.00 0.00 175.26 177.87 3a1c s VAL 436 N -2.64 3.59 -0.04 1.83 1.01 -1.26 -1.18 120.40 121.70 3a1c s VAL 436 Ca -0.05 1.09 0.08 0.00 0.00 0.00 0.00 61.98 63.10 3a1c s VAL 436 Cb -0.01 -3.70 -0.12 0.00 0.00 0.00 0.00 36.38 32.55 3a1c s VAL 436 CO -0.04 0.05 0.13 0.35 0.00 0.00 0.00 175.10 175.59 3a1c n THR 437 N 4.23 0.21 -3.80 3.92 -2.24 -0.04 -4.93 114.28 111.63 3a1c n THR 437 Ca 0.12 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 3a1c n THR 437 Cb 0.43 -0.10 -0.13 0.00 -2.10 0.00 0.00 70.33 68.43 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 -3.39 -0.15 -0.20 3.42 1.01 -1.16 -4.99 116.67 111.20 3a1c s ASP 438 Ca -0.04 0.31 0.01 0.00 0.71 0.00 0.00 52.55 53.55 3a1c s ASP 438 Cb 0.04 0.28 0.04 0.00 1.01 0.00 0.00 42.92 44.29 3a1c s ASP 438 CO 0.36 -0.08 -0.14 -0.76 0.21 0.00 0.00 175.17 174.76 3a1c s LEU 439 N 0.40 2.46 -0.62 1.23 1.43 -1.26 -1.47 118.68 120.85 3a1c s LEU 439 Ca -0.03 -0.90 0.04 0.00 -1.03 0.00 0.00 54.13 52.22 3a1c s LEU 439 Cb -0.04 -1.39 0.16 0.00 0.03 0.00 0.00 46.19 44.95 3a1c s LEU 439 CO -0.02 -0.10 0.42 -0.69 0.23 0.00 0.00 176.35 176.20 3a1c s VAL 440 N 1.30 2.40 0.34 -1.59 1.01 0.08 -4.98 120.40 118.96 3a1c s VAL 440 Ca -0.00 -3.80 -0.27 0.00 0.00 0.00 0.00 61.98 57.90 3a1c s VAL 440 Cb -0.16 -2.60 -0.09 0.00 0.00 0.00 0.00 36.38 33.53 3a1c s VAL 440 CO -0.09 -1.00 1.08 -2.16 0.00 0.00 0.00 175.10 172.93 3a1c s PRO 441 N -0.96 4.40 0.29 2.72 0.04 -1.26 -1.09 135.00 139.13 3a1c s PRO 441 Ca 0.24 1.68 0.10 0.00 0.04 0.00 0.00 61.00 63.06 3a1c s PRO 441 Cb -0.08 -2.88 0.43 0.00 0.04 0.00 0.00 34.50 32.01 3a1c s PRO 441 CO -0.14 0.03 1.66 -0.07 0.04 0.00 0.00 177.00 178.53 3a1c h LEU 442 N 3.19 0.07 0.00 -3.56 3.38 -1.17 -3.18 115.31 114.04 3a1c h LEU 442 Ca -0.47 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.30 3a1c h LEU 442 Cb 1.21 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 3a1c h LEU 442 CO 0.65 0.60 -0.76 0.78 0.09 0.00 0.00 178.44 179.79 3a1c h ASN 443 N 0.05 0.00 0.00 -0.43 2.35 -1.93 -3.47 115.58 112.15 3a1c h ASN 443 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3a1c h ASN 443 Cb 0.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.34 3a1c h ASN 443 CO 0.07 0.74 0.00 0.61 -1.65 0.00 0.00 177.43 177.20 3a1c n GLY 444 N 1.29 0.24 3.48 2.83 0.00 -1.20 -5.03 105.19 106.80 3a1c n GLY 444 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.38 6.57 0.14 1.61 3.68 -1.26 -4.86 116.67 120.17 3a1c s ASP 445 Ca 0.00 -1.82 -0.12 0.00 2.13 0.00 0.00 52.55 52.74 3a1c s ASP 445 Cb 0.00 -2.45 0.00 0.00 -1.45 0.00 0.00 42.92 39.02 3a1c s ASP 445 CO 0.00 -1.21 1.58 -0.33 0.13 0.00 0.00 175.17 175.33 3a1c h GLU 446 N 9.15 0.86 -0.32 4.34 5.08 -1.94 -2.73 114.58 129.02 3a1c h GLU 446 Ca 0.15 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 3a1c h GLU 446 Cb 1.02 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 3a1c h GLU 446 CO 1.21 0.93 -0.11 -0.09 -1.00 0.00 0.00 179.01 179.94 3a1c h ARG 447 N 0.70 0.55 0.06 2.33 2.43 -1.99 -1.19 114.38 117.27 3a1c h ARG 447 Ca 0.13 -0.16 -0.24 0.00 -0.81 0.00 0.00 59.98 58.89 3a1c h ARG 447 Cb 0.57 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3a1c h ARG 447 CO 0.03 0.66 -1.06 1.49 -1.51 0.00 0.00 179.97 179.58 3a1c h GLU 448 N 0.51 0.31 -0.17 0.20 4.57 -1.97 -0.86 114.58 117.17 3a1c h GLU 448 Ca 0.09 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 3a1c h GLU 448 Cb 0.50 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 3a1c h GLU 448 CO 0.03 1.13 0.10 1.25 -1.18 0.00 0.00 179.01 180.34 3a1c h LEU 449 N 0.14 0.17 -0.49 1.64 5.85 -1.30 -1.60 115.31 119.72 3a1c h LEU 449 Ca -0.10 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3a1c h LEU 449 Cb 1.74 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.71 3a1c h LEU 449 CO 0.18 0.13 0.30 0.25 -0.34 0.00 0.00 178.44 178.95 3a1c h LEU 450 N 0.21 0.59 -0.27 2.25 6.46 -1.21 -2.37 115.31 120.97 3a1c h LEU 450 Ca 0.06 -0.05 0.04 0.00 -0.12 0.00 0.00 57.88 57.81 3a1c h LEU 450 Cb -0.02 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.73 3a1c h LEU 450 CO -0.02 0.47 0.06 -0.09 -0.62 0.00 0.00 178.44 178.23 3a1c h ARG 451 N 0.66 0.16 -0.15 1.25 2.43 -0.98 -1.59 114.38 116.15 3a1c h ARG 451 Ca 0.18 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3a1c h ARG 451 Cb -0.02 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3a1c h ARG 451 CO -0.03 0.10 0.06 1.25 -1.51 0.00 0.00 179.97 179.84 3a1c h LEU 452 N 0.16 0.21 -0.85 3.80 5.85 -1.17 -2.50 115.31 120.81 3a1c h LEU 452 Ca 0.12 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3a1c h LEU 452 Cb 0.12 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3a1c h LEU 452 CO -0.16 0.32 0.44 0.00 -0.34 0.00 0.00 178.44 178.71 3a1c h ALA 453 N 0.90 1.10 -0.34 1.25 0.00 -1.32 -2.71 119.26 118.14 3a1c h ALA 453 Ca 0.05 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3a1c h ALA 453 Cb 0.18 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3a1c h ALA 453 CO -0.00 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 179.86 3a1c h ALA 454 N 1.24 1.34 -0.32 0.00 0.00 -1.17 0.04 119.26 120.38 3a1c h ALA 454 Ca 0.30 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3a1c h ALA 454 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3a1c h ALA 454 CO -0.04 0.45 0.02 0.82 0.00 0.00 0.00 179.25 180.51 3a1c h ILE 455 N 0.51 1.25 -0.10 0.00 2.04 -1.14 0.23 117.51 120.30 3a1c h ILE 455 Ca 0.11 -0.89 -0.13 0.00 1.00 0.00 0.00 64.86 64.94 3a1c h ILE 455 Cb 0.36 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3a1c h ILE 455 CO 0.01 0.29 -0.52 0.00 0.00 0.00 0.00 178.15 177.94 3a1c h ALA 456 N 0.87 0.94 0.00 1.87 0.00 -1.26 -3.10 119.26 118.58 3a1c h ALA 456 Ca 0.09 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3a1c h ALA 456 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3a1c h ALA 456 CO 0.01 0.67 -0.46 0.39 0.00 0.00 0.00 179.25 179.86 3a1c n GLU 457 N -3.94 0.09 -0.32 0.00 -0.58 -0.02 -4.45 120.64 111.41 3a1c n GLU 457 Ca -0.02 0.03 0.17 0.00 -0.42 0.00 0.00 57.16 56.92 3a1c n GLU 457 Cb 0.56 -1.56 0.34 0.00 -0.57 0.00 0.00 31.44 30.21 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 0.00 0.07 0.00 3.49 9.65 -0.47 -1.58 114.38 125.55 3a1c h ARG 458 Ca 0.00 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3a1c h ARG 458 Cb 0.58 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 3a1c h ARG 458 CO 0.00 0.05 -0.68 0.00 2.80 0.00 0.00 179.97 182.14 3a1c h ARG 459 N 0.07 0.00 -6.87 0.20 3.08 -1.82 -3.48 114.38 105.56 3a1c h ARG 459 Ca 0.63 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 60.20 3a1c h ARG 459 Cb 1.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.41 3a1c h ARG 459 CO -0.81 0.00 0.38 0.45 -1.07 0.00 0.00 179.97 178.92 3a1c s SER 460 N -5.23 7.27 0.00 7.04 0.15 -0.59 -4.95 113.70 117.38 3a1c s SER 460 Ca 0.03 1.95 0.28 0.00 0.70 0.00 0.00 55.95 58.91 3a1c s SER 460 Cb 0.10 -2.59 1.11 0.00 -1.71 0.00 0.00 66.02 62.93 3a1c s SER 460 CO 0.74 -0.12 1.78 1.21 1.20 0.00 0.00 173.24 178.05 3a1c n GLU 461 N 0.67 1.61 -2.29 5.44 2.13 -1.26 -4.51 120.64 122.43 3a1c n GLU 461 Ca 0.02 -0.89 -0.39 0.00 0.66 0.00 0.00 57.16 56.55 3a1c n GLU 461 Cb 0.49 -1.48 -0.03 0.00 0.27 0.00 0.00 31.44 30.69 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 3.18 0.32 4.31 2.46 -1.26 -4.79 115.29 117.51 3a1c s HIS 462 Ca 0.39 1.55 0.11 0.00 0.47 0.00 0.00 55.06 57.58 3a1c s HIS 462 Cb 0.21 -3.44 0.94 0.00 -0.13 0.00 0.00 32.58 30.16 3a1c s HIS 462 CO 0.34 -1.28 1.71 -1.35 -2.47 0.00 0.00 174.74 171.69 3a1c h PRO 463 N 3.08 0.47 -0.58 2.88 0.11 -1.99 0.17 132.00 136.15 3a1c h PRO 463 Ca -0.48 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3a1c h PRO 463 Cb 1.23 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3a1c h PRO 463 CO 0.64 0.31 0.29 0.82 -0.21 0.00 0.00 178.00 179.86 3a1c h ILE 464 N 0.49 1.20 -0.16 4.15 2.04 -1.97 -0.87 117.51 122.39 3a1c h ILE 464 Ca 0.67 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 3a1c h ILE 464 Cb 1.36 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3a1c h ILE 464 CO -0.52 0.22 0.01 0.00 0.00 0.00 0.00 178.15 177.86 3a1c h ALA 465 N 1.13 0.22 -0.74 1.87 0.00 -1.28 -2.17 119.26 118.29 3a1c h ALA 465 Ca 0.20 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.05 3a1c h ALA 465 Cb 0.09 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 3a1c h ALA 465 CO -0.03 -0.10 0.32 1.49 0.00 0.00 0.00 179.25 180.94 3a1c h GLU 466 N 0.05 0.49 -0.06 0.00 4.81 -0.63 -1.30 114.58 117.94 3a1c h GLU 466 Ca 0.05 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3a1c h GLU 466 Cb 0.34 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 3a1c h GLU 466 CO 0.01 0.33 0.02 0.00 -0.73 0.00 0.00 179.01 178.63 3a1c h ALA 467 N 1.50 0.08 -0.04 2.92 0.00 -1.02 -1.97 119.26 120.73 3a1c h ALA 467 Ca 0.39 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3a1c h ALA 467 Cb 0.52 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3a1c h ALA 467 CO -0.35 -0.32 0.02 0.82 0.00 0.00 0.00 179.25 179.42 3a1c h ILE 468 N -0.08 1.14 -0.31 0.00 2.04 -1.15 -1.90 117.51 117.26 3a1c h ILE 468 Ca 0.02 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.48 3a1c h ILE 468 Cb 0.20 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3a1c h ILE 468 CO -0.00 0.11 0.15 0.58 0.00 0.00 0.00 178.15 179.00 3a1c h VAL 469 N -0.10 0.99 -0.81 1.67 2.07 -1.31 -0.99 116.25 117.78 3a1c h VAL 469 Ca 0.01 -0.11 0.07 0.00 0.82 0.00 0.00 66.70 67.50 3a1c h VAL 469 Cb 0.17 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 3a1c h VAL 469 CO -0.00 0.06 0.48 0.50 0.02 0.00 0.00 177.57 178.63 3a1c h LYS 470 N 0.32 0.82 -0.37 1.57 3.64 -1.33 -1.19 116.57 120.03 3a1c h LYS 470 Ca 0.13 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 3a1c h LYS 470 Cb 0.04 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3a1c h LYS 470 CO -0.08 0.54 -0.06 -0.22 -2.27 0.00 0.00 179.45 177.36 3a1c h LYS 471 N 0.85 0.70 -0.21 1.90 1.63 -0.90 -1.89 116.57 118.65 3a1c h LYS 471 Ca 0.37 -0.25 -0.04 0.00 -0.85 0.00 0.00 60.65 59.88 3a1c h LYS 471 Cb 0.25 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 3a1c h LYS 471 CO -0.20 0.84 -0.04 0.00 -3.45 0.00 0.00 179.45 176.60 3a1c h ALA 472 N 0.84 1.56 -0.48 5.00 0.00 -0.98 -2.40 119.26 122.80 3a1c h ALA 472 Ca 0.10 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3a1c h ALA 472 Cb 0.56 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3a1c h ALA 472 CO 0.03 0.32 -0.10 1.25 0.00 0.00 0.00 179.25 180.75 3a1c h LEU 473 N 0.30 0.93 -1.41 0.00 5.85 -0.96 0.75 115.31 120.76 3a1c h LEU 473 Ca 0.07 -0.35 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 3a1c h LEU 473 Cb 0.26 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3a1c h LEU 473 CO 0.01 1.06 -0.25 -0.33 -0.34 0.00 0.00 178.44 178.59 3a1c h GLU 474 N 0.77 0.06 -0.42 1.25 5.08 -0.90 -2.07 114.58 118.36 3a1c h GLU 474 Ca 0.13 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3a1c h GLU 474 Cb 0.65 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3a1c h GLU 474 CO 0.04 0.31 0.00 0.72 -1.00 0.00 0.00 179.01 179.09 3a1c n HIS 475 N -4.22 0.55 -2.47 4.33 8.25 -0.94 -4.95 115.22 115.78 3a1c n HIS 475 Ca -0.02 -0.28 -0.17 0.00 -0.26 0.00 0.00 57.72 57.00 3a1c n HIS 475 Cb 0.32 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.43 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 1.30 -0.30 3.66 -1.41 0.00 -0.78 -4.95 105.19 102.70 3a1c n GLY 476 Ca 0.17 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.89 4.27 -0.11 -0.61 1.01 0.23 -4.99 121.20 118.12 3a1c s ILE 477 Ca 0.07 1.54 -0.30 0.00 0.00 0.00 0.00 60.65 61.96 3a1c s ILE 477 Cb -0.03 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 3a1c s ILE 477 CO 0.08 -0.14 1.23 -1.61 0.00 0.00 0.00 174.94 174.51 3a1c s GLU 478 N 3.50 4.29 0.33 2.79 2.02 -1.26 -4.72 118.70 125.65 3a1c s GLU 478 Ca 0.55 1.67 -0.17 0.00 0.02 0.00 0.00 54.97 57.04 3a1c s GLU 478 Cb -0.22 -3.66 -0.09 0.00 0.10 0.00 0.00 34.13 30.26 3a1c s GLU 478 CO 0.15 -0.58 0.78 -0.51 0.02 0.00 0.00 175.26 175.12 3a1c s LEU 479 N 2.85 4.09 0.19 1.80 1.02 -1.26 -5.04 118.68 122.33 3a1c s LEU 479 Ca 0.55 1.40 -0.30 0.00 0.02 0.00 0.00 54.13 55.80 3a1c s LEU 479 Cb -0.23 -4.09 -0.09 0.00 0.02 0.00 0.00 46.19 41.80 3a1c s LEU 479 CO 0.18 -0.19 1.30 -0.83 0.02 0.00 0.00 176.35 176.84 3a1c s GLY 480 N -2.13 2.44 0.11 -3.19 0.00 -1.26 -4.93 107.32 98.35 3a1c s GLY 480 Ca 0.54 1.09 -0.25 0.00 0.00 0.00 0.00 44.72 46.10 3a1c s GLY 480 CO 0.17 2.07 0.53 1.18 0.00 0.00 0.00 173.10 177.06 3a1c n GLU 481 N 2.74 0.00 -1.17 2.90 1.02 -1.26 -4.53 120.64 120.34 3a1c n GLU 481 Ca 0.06 0.00 -0.54 0.00 -0.02 0.00 0.00 57.16 56.67 3a1c n GLU 481 Cb 0.43 -0.89 -0.10 0.00 -0.02 0.00 0.00 31.44 30.85 3a1c n GLU 481 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3a1c n PRO 482 N 0.89 0.00 -3.67 3.49 -0.02 -1.26 -4.93 135.00 129.51 3a1c n PRO 482 Ca 0.14 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.36 3a1c n PRO 482 Cb 0.15 -1.31 -0.03 0.00 -0.02 0.00 0.00 33.50 32.30 3a1c n PRO 482 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3a1c s GLU 483 N 4.76 3.52 -0.20 -0.52 2.02 -1.26 -5.05 118.70 121.96 3a1c s GLU 483 Ca 1.02 -0.35 -0.29 0.00 0.02 0.00 0.00 54.97 55.38 3a1c s GLU 483 Cb -1.31 -2.82 -0.03 0.00 0.10 0.00 0.00 34.13 30.07 3a1c s GLU 483 CO 0.60 0.38 1.64 0.21 0.02 0.00 0.00 175.26 178.11 3a1c s LYS 484 N -3.43 3.81 -0.13 1.61 2.47 -1.26 -4.99 119.74 117.82 3a1c s LYS 484 Ca 0.39 1.73 0.03 0.00 -1.56 0.00 0.00 55.97 56.55 3a1c s LYS 484 Cb -0.11 -4.04 0.01 0.00 -1.46 0.00 0.00 37.83 32.23 3a1c s LYS 484 CO 0.29 -1.28 -0.21 0.08 0.16 0.00 0.00 175.35 174.39 3a1c s VAL 485 N 5.19 1.98 -0.11 4.02 1.01 -1.26 -4.31 120.40 126.91 3a1c s VAL 485 Ca 0.73 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 3a1c s VAL 485 Cb -0.26 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3a1c s VAL 485 CO 0.29 0.54 0.08 -0.70 0.00 0.00 0.00 175.10 175.31 3a1c s GLU 486 N 0.75 3.28 -0.13 2.72 2.12 0.29 -4.91 118.70 122.82 3a1c s GLU 486 Ca -0.09 -0.25 -0.04 0.00 0.36 0.00 0.00 54.97 54.95 3a1c s GLU 486 Cb -0.16 -3.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 3a1c s GLU 486 CO 0.00 0.72 0.00 0.08 -0.54 0.00 0.00 175.26 175.53 3a1c s VAL 487 N -0.90 4.30 -0.23 3.70 1.01 -1.26 0.08 120.40 127.10 3a1c s VAL 487 Ca 0.14 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3a1c s VAL 487 Cb -0.12 -2.86 0.05 0.00 0.00 0.00 0.00 36.38 33.44 3a1c s VAL 487 CO 0.03 0.53 -0.14 -0.63 0.00 0.00 0.00 175.10 174.89 3a1c s ILE 488 N -0.17 2.14 0.16 2.22 1.01 0.23 -5.02 121.20 121.77 3a1c s ILE 488 Ca 0.05 -1.39 -0.34 0.00 0.00 0.00 0.00 60.65 58.97 3a1c s ILE 488 Cb -0.13 -2.13 -0.14 0.00 0.01 0.00 0.00 42.46 40.07 3a1c s ILE 488 CO 0.02 0.17 1.50 0.00 0.00 0.00 0.00 174.94 176.64 3a1c n ALA 489 N 4.50 0.88 -1.07 9.38 0.00 -1.26 -1.51 120.51 131.43 3a1c n ALA 489 Ca -0.16 0.45 -0.02 0.00 0.00 0.00 0.00 53.44 53.71 3a1c n ALA 489 Cb 0.45 -2.29 -0.01 0.00 0.00 0.00 0.00 19.45 17.60 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 3.06 0.52 1.66 0.00 0.00 -1.26 -4.80 105.19 104.37 3a1c n GLY 490 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.87 0.00 -1.47 1.61 1.02 -0.57 -4.90 120.64 114.46 3a1c n GLU 491 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3a1c n GLU 491 Cb 0.21 -0.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.46 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 2.19 -0.11 3.45 0.62 0.00 -0.66 -1.78 105.19 108.90 3a1c n GLY 492 Ca 0.00 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.49 2.51 -0.08 1.61 -7.23 -0.56 -0.60 120.40 112.56 3a1c s VAL 493 Ca 0.00 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.17 3a1c s VAL 493 Cb 0.00 -2.22 0.03 0.00 0.56 0.00 0.00 36.38 34.75 3a1c s VAL 493 CO 0.00 -0.13 0.00 -0.69 -0.31 0.00 0.00 175.10 173.97 3a1c s VAL 494 N -1.72 0.39 0.21 1.32 1.01 0.11 -2.60 120.40 119.12 3a1c s VAL 494 Ca 0.22 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.26 3a1c s VAL 494 Cb -0.08 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.73 3a1c s VAL 494 CO 0.11 0.21 0.05 0.00 0.00 0.00 0.00 175.10 175.47 3a1c n ALA 495 N 5.14 0.22 -1.76 5.51 0.00 0.00 -0.55 120.51 129.07 3a1c n ALA 495 Ca -0.07 -0.91 -0.24 0.00 0.00 0.00 0.00 53.44 52.22 3a1c n ALA 495 Cb 0.50 0.46 -0.05 0.00 0.00 0.00 0.00 19.45 20.36 3a1c n ALA 495 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3a1c s ASP 496 N -2.17 4.51 -0.12 0.00 1.01 -1.26 -2.77 116.67 115.86 3a1c s ASP 496 Ca 0.04 0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.37 3a1c s ASP 496 Cb -0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 3a1c s ASP 496 CO 0.02 -3.20 0.00 0.61 0.21 0.00 0.00 175.17 172.81 3a1c n GLY 497 N 6.54 0.49 3.21 0.21 0.00 -1.26 -4.96 105.19 109.42 3a1c n GLY 497 Ca 0.40 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.93 1.81 -0.05 -0.61 1.01 -1.11 -1.16 121.20 119.15 3a1c s ILE 498 Ca 0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 60.65 59.73 3a1c s ILE 498 Cb 0.00 -1.55 0.03 0.00 0.01 0.00 0.00 42.46 40.95 3a1c s ILE 498 CO 0.00 0.51 -0.01 -0.22 0.00 0.00 0.00 174.94 175.22 3a1c s LEU 499 N 0.01 0.98 -0.16 2.97 2.96 -0.84 -0.82 118.68 123.78 3a1c s LEU 499 Ca -0.06 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3a1c s LEU 499 Cb -0.14 -0.37 0.04 0.00 0.50 0.00 0.00 46.19 46.22 3a1c s LEU 499 CO 0.04 -0.12 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.21 3a1c s VAL 500 N 1.37 1.02 -2.05 1.68 1.01 -1.07 -0.91 120.40 121.45 3a1c s VAL 500 Ca -0.04 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3a1c s VAL 500 Cb -0.13 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.02 3a1c s VAL 500 CO -0.02 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.79 3a1c n GLY 501 N 4.90 -0.85 2.79 4.51 0.00 -0.47 -1.50 105.19 114.56 3a1c n GLY 501 Ca -0.11 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 44.85 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 0.50 0.73 0.27 1.61 0.23 -0.73 0.01 115.26 117.88 3a1c n ASN 502 Ca 0.00 -1.69 0.10 0.00 -0.53 0.00 0.00 54.58 52.46 3a1c n ASN 502 Cb 0.00 -0.54 0.72 0.00 -2.08 0.00 0.00 39.78 37.88 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 -0.84 -3.83 1.57 -1.93 -1.43 116.57 110.11 3a1c h LYS 503 Ca -0.26 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 3a1c h LYS 503 Cb 0.87 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 3a1c h LYS 503 CO 0.25 0.03 0.39 0.00 -0.57 0.00 0.00 179.45 179.54 3a1c h ARG 504 N 0.00 1.22 -0.43 3.15 3.08 -1.92 -1.04 114.38 118.44 3a1c h ARG 504 Ca -0.00 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 59.78 3a1c h ARG 504 Cb 0.06 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3a1c h ARG 504 CO 0.00 0.95 -0.03 1.25 -1.07 0.00 0.00 179.97 181.07 3a1c h LEU 505 N 1.20 0.77 -0.61 3.04 5.85 -1.50 -1.69 115.31 122.38 3a1c h LEU 505 Ca 0.29 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 3a1c h LEU 505 Cb 0.14 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3a1c h LEU 505 CO -0.03 0.91 0.22 0.24 -0.34 0.00 0.00 178.44 179.44 3a1c h MET 506 N 0.62 0.92 -0.60 1.25 2.86 -1.34 -2.73 114.93 115.92 3a1c h MET 506 Ca 0.12 -0.18 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 3a1c h MET 506 Cb 0.53 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 3a1c h MET 506 CO 0.03 0.80 0.12 1.49 1.06 0.00 0.00 176.91 180.41 3a1c h GLU 507 N 0.85 0.95 0.00 1.72 4.81 -1.16 0.31 114.58 122.06 3a1c h GLU 507 Ca 0.20 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3a1c h GLU 507 Cb 0.24 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 3a1c h GLU 507 CO -0.01 0.86 -0.03 -0.44 -0.73 0.00 0.00 179.01 178.66 3a1c h ASP 508 N 0.90 0.00 -0.28 1.04 5.19 -1.00 -2.41 116.42 119.87 3a1c h ASP 508 Ca 0.19 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 3a1c h ASP 508 Cb 0.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.87 3a1c h ASP 508 CO 0.00 0.03 0.00 0.49 -3.12 0.00 0.00 179.24 176.64 3a1c n PHE 509 N -4.15 0.37 -2.23 4.55 3.01 -1.02 -4.99 117.46 112.99 3a1c n PHE 509 Ca -0.03 -0.39 -0.13 0.00 1.01 0.00 0.00 57.45 57.91 3a1c n PHE 509 Cb 0.11 -0.02 -0.01 0.00 -0.01 0.00 0.00 39.48 39.55 3a1c n PHE 509 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3a1c n GLY 510 N 0.56 -0.15 3.67 1.37 0.00 -0.57 -4.99 105.19 105.08 3a1c n GLY 510 Ca 0.11 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.67 4.98 0.03 1.61 1.01 0.98 -5.00 120.40 121.34 3a1c s VAL 511 Ca 0.00 1.37 -0.30 0.00 0.00 0.00 0.00 61.98 63.05 3a1c s VAL 511 Cb 0.00 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 3a1c s VAL 511 CO 0.00 0.10 1.22 0.00 0.00 0.00 0.00 175.10 176.42 3a1c s ALA 512 N 1.82 3.43 -0.25 5.51 0.00 -1.26 -4.40 121.76 126.60 3a1c s ALA 512 Ca 0.33 0.81 -0.00 0.00 0.00 0.00 0.00 51.96 53.10 3a1c s ALA 512 Cb -0.16 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.52 3a1c s ALA 512 CO 0.12 -0.54 -0.08 0.08 0.00 0.00 0.00 175.76 175.34 3a1c s VAL 513 N 1.40 2.60 0.72 0.00 1.01 -1.26 -4.61 120.40 120.25 3a1c s VAL 513 Ca 0.59 -1.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 3a1c s VAL 513 Cb -0.29 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.74 3a1c s VAL 513 CO 0.27 0.13 1.07 -0.94 0.00 0.00 0.00 175.10 175.63 3a1c s SER 514 N 1.25 5.11 0.27 3.32 1.04 -1.26 -4.85 113.70 118.57 3a1c s SER 514 Ca -0.03 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.09 3a1c s SER 514 Cb -0.18 -2.50 0.56 0.00 0.10 0.00 0.00 66.02 64.00 3a1c s SER 514 CO -0.05 -1.63 1.77 0.78 0.98 0.00 0.00 173.24 175.09 3a1c h ASN 515 N -0.83 0.59 -0.55 7.02 -0.26 -1.99 -0.76 115.58 118.79 3a1c h ASN 515 Ca -0.44 0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.40 3a1c h ASN 515 Cb 1.22 -0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 38.44 3a1c h ASN 515 CO 0.55 0.25 0.36 -0.08 -1.06 0.00 0.00 177.43 177.45 3a1c h GLU 516 N 0.67 0.73 -0.24 0.81 4.81 -1.99 0.12 114.58 119.50 3a1c h GLU 516 Ca 0.48 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.62 3a1c h GLU 516 Cb 0.68 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3a1c h GLU 516 CO -0.36 0.49 -0.03 0.28 -0.73 0.00 0.00 179.01 178.66 3a1c h VAL 517 N 0.75 1.27 -0.92 0.32 2.07 -1.81 -2.20 116.25 115.72 3a1c h VAL 517 Ca 0.20 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.77 3a1c h VAL 517 Cb -0.08 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 3a1c h VAL 517 CO -0.04 0.31 0.60 -0.08 0.02 0.00 0.00 177.57 178.38 3a1c h GLU 518 N 0.19 1.16 -0.48 1.57 4.57 -0.87 0.29 114.58 121.01 3a1c h GLU 518 Ca 0.06 -0.07 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 3a1c h GLU 518 Cb 0.47 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 3a1c h GLU 518 CO 0.02 0.77 -0.07 -0.07 -1.18 0.00 0.00 179.01 178.47 3a1c h LEU 519 N 1.19 0.90 -0.95 1.64 3.38 -0.73 -1.34 115.31 119.40 3a1c h LEU 519 Ca 0.36 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3a1c h LEU 519 Cb -0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3a1c h LEU 519 CO -0.11 1.03 0.32 0.00 0.09 0.00 0.00 178.44 179.78 3a1c h ALA 520 N 0.90 1.17 -0.15 1.53 0.00 -1.00 -1.82 119.26 119.90 3a1c h ALA 520 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3a1c h ALA 520 Cb 0.61 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3a1c h ALA 520 CO 0.04 0.61 0.08 1.25 0.00 0.00 0.00 179.25 181.24 3a1c h LEU 521 N 1.07 0.14 -0.91 0.00 5.85 -0.77 -2.60 115.31 118.08 3a1c h LEU 521 Ca 0.25 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 3a1c h LEU 521 Cb 0.16 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3a1c h LEU 521 CO -0.03 0.10 0.19 -0.33 -0.34 0.00 0.00 178.44 178.04 3a1c h GLU 522 N 0.18 0.99 -0.36 1.25 5.08 -1.01 -1.13 114.58 119.58 3a1c h GLU 522 Ca 0.06 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3a1c h GLU 522 Cb -0.01 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3a1c h GLU 522 CO -0.03 0.85 0.21 -0.22 -1.00 0.00 0.00 179.01 178.83 3a1c h LYS 523 N 0.95 0.42 -0.24 2.33 3.64 -1.20 -1.12 116.57 121.35 3a1c h LYS 523 Ca 0.21 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 3a1c h LYS 523 Cb 0.29 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3a1c h LYS 523 CO -0.01 0.28 0.03 -0.07 -2.27 0.00 0.00 179.45 177.41 3a1c h LEU 524 N 0.43 0.39 -1.07 5.20 3.38 -1.18 -2.99 115.31 119.47 3a1c h LEU 524 Ca 0.14 -0.28 0.09 0.00 0.09 0.00 0.00 57.88 57.93 3a1c h LEU 524 Cb 0.00 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 3a1c h LEU 524 CO -0.07 0.57 0.62 -0.33 0.09 0.00 0.00 178.44 179.33 3a1c h GLU 525 N 0.20 1.00 0.00 1.13 5.08 -1.04 -0.60 114.58 120.35 3a1c h GLU 525 Ca 0.07 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3a1c h GLU 525 Cb 0.36 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3a1c h GLU 525 CO 0.01 0.66 0.00 0.00 -1.00 0.00 0.00 179.01 178.68 3a1c h ARG 526 N 1.03 0.00 -0.66 2.33 3.08 -1.06 -0.38 114.38 118.73 3a1c h ARG 526 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 3a1c h ARG 526 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3a1c h ARG 526 CO -0.20 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.09 3a1c n GLU 527 N -2.35 2.62 -3.36 0.04 1.02 -0.24 -4.89 120.64 113.49 3a1c n GLU 527 Ca 0.01 -1.51 -0.16 0.00 -0.02 0.00 0.00 57.16 55.47 3a1c n GLU 527 Cb 0.16 -1.70 0.08 0.00 -0.02 0.00 0.00 31.44 29.96 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 0.40 -2.08 -2.39 0.62 0.00 -0.17 -5.04 120.51 111.85 3a1c n ALA 528 Ca 0.14 -0.02 -0.20 0.00 0.00 0.00 0.00 53.44 53.36 3a1c n ALA 528 Cb 0.60 -3.09 -0.10 0.00 0.00 0.00 0.00 19.45 16.86 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 -5.13 1.38 -0.29 0.00 1.02 -1.18 -4.83 119.74 110.71 3a1c s LYS 529 Ca 0.10 -1.58 -0.13 0.00 0.02 0.00 0.00 55.97 54.37 3a1c s LYS 529 Cb -0.01 -1.29 -0.04 0.00 -0.52 0.00 0.00 37.83 35.97 3a1c s LYS 529 CO 0.72 0.23 0.28 0.99 -0.92 0.00 0.00 175.35 176.65 3a1c s THR 530 N -2.68 5.24 -0.20 2.17 2.01 0.61 -4.21 115.64 118.59 3a1c s THR 530 Ca 0.22 0.27 -0.03 0.00 0.31 0.00 0.00 61.69 62.46 3a1c s THR 530 Cb -0.03 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 3a1c s THR 530 CO 0.08 0.16 -0.07 0.00 -0.69 0.00 0.00 174.62 174.10 3a1c s ALA 531 N 1.90 2.75 0.16 7.40 0.00 -1.26 0.01 121.76 132.71 3a1c s ALA 531 Ca 0.10 -1.10 0.09 0.00 0.00 0.00 0.00 51.96 51.06 3a1c s ALA 531 Cb -0.16 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 3a1c s ALA 531 CO 0.11 -0.25 -0.16 0.14 0.00 0.00 0.00 175.76 175.59 3a1c s VAL 532 N 1.18 2.87 -0.09 0.00 -7.23 0.30 -4.85 120.40 112.58 3a1c s VAL 532 Ca 0.02 -1.67 -0.11 0.00 -1.81 0.00 0.00 61.98 58.41 3a1c s VAL 532 Cb -0.14 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 3a1c s VAL 532 CO -0.02 -0.02 0.25 -0.63 -0.31 0.00 0.00 175.10 174.36 3a1c s ILE 533 N -1.46 5.32 -0.21 -0.62 1.01 0.10 -1.35 121.20 124.00 3a1c s ILE 533 Ca 0.21 0.46 -0.04 0.00 0.00 0.00 0.00 60.65 61.28 3a1c s ILE 533 Cb -0.09 -3.54 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 3a1c s ILE 533 CO 0.12 0.56 -0.04 -0.69 0.00 0.00 0.00 174.94 174.89 3a1c s VAL 534 N -0.72 3.49 0.02 2.92 1.01 -0.41 -1.37 120.40 125.33 3a1c s VAL 534 Ca 0.17 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.78 3a1c s VAL 534 Cb -0.14 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3a1c s VAL 534 CO 0.06 0.43 -0.24 0.00 0.00 0.00 0.00 175.10 175.35 3a1c s ALA 535 N 1.30 2.30 -0.09 5.51 0.00 -0.09 0.39 121.76 131.09 3a1c s ALA 535 Ca 0.04 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 50.83 3a1c s ALA 535 Cb -0.14 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.42 3a1c s ALA 535 CO -0.01 0.54 -0.22 0.50 0.00 0.00 0.00 175.76 176.57 3a1c s ARG 536 N -1.08 2.70 -1.57 0.00 3.52 0.14 -1.98 118.95 120.68 3a1c s ARG 536 Ca 0.12 -0.80 -0.16 0.00 -0.13 0.00 0.00 55.73 54.76 3a1c s ARG 536 Cb -0.10 -2.10 0.13 0.00 -1.56 0.00 0.00 34.95 31.32 3a1c s ARG 536 CO 0.02 0.19 0.73 0.09 -0.81 0.00 0.00 175.30 175.52 3a1c n ASN 537 N 3.46 -3.52 0.00 -2.12 3.02 -0.31 -0.62 115.26 115.16 3a1c n ASN 537 Ca -0.19 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 3a1c n ASN 537 Cb 0.53 -2.88 0.00 0.00 -0.61 0.00 0.00 39.78 36.81 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 -1.35 0.81 3.30 7.41 0.00 -1.26 -5.05 105.19 109.05 3a1c n GLY 538 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.33 1.83 0.11 1.61 3.00 0.20 -4.45 118.95 120.93 3a1c s ARG 539 Ca 0.00 -0.96 -0.31 0.00 0.00 0.00 0.00 55.73 54.46 3a1c s ARG 539 Cb 0.00 -1.87 -0.09 0.00 0.00 0.00 0.00 34.95 32.99 3a1c s ARG 539 CO 0.00 0.50 1.63 0.08 0.00 0.00 0.00 175.30 177.51 3a1c s VAL 540 N -0.67 2.83 -0.18 3.52 1.01 -1.26 0.27 120.40 125.91 3a1c s VAL 540 Ca 0.10 0.44 -0.05 0.00 0.00 0.00 0.00 61.98 62.46 3a1c s VAL 540 Cb -0.09 -3.28 -0.22 0.00 0.00 0.00 0.00 36.38 32.79 3a1c s VAL 540 CO 0.00 0.01 0.13 -0.62 0.00 0.00 0.00 175.10 174.63 3a1c n GLU 541 N 4.96 0.70 -3.30 2.72 -0.58 0.16 -4.85 120.64 120.46 3a1c n GLU 541 Ca 0.15 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 57.14 3a1c n GLU 541 Cb 0.39 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 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 2.01 -1.10 3.24 0.62 0.00 -1.08 -0.55 105.19 108.34 3a1c n GLY 542 Ca -0.38 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.51 3a1c n GLY 542 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a1c s ILE 543 N -3.00 1.61 -0.07 -0.61 -4.36 -0.25 -1.29 121.20 113.23 3a1c s ILE 543 Ca 0.00 -1.23 0.04 0.00 -0.26 0.00 0.00 60.65 59.20 3a1c s ILE 543 Cb 0.00 -1.42 -0.00 0.00 1.25 0.00 0.00 42.46 42.29 3a1c s ILE 543 CO 0.00 0.14 -0.20 -0.63 0.24 0.00 0.00 174.94 174.49 3a1c s ILE 544 N -0.87 1.68 -0.08 8.37 1.01 -0.45 -0.74 121.20 130.12 3a1c s ILE 544 Ca 0.07 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.89 3a1c s ILE 544 Cb -0.09 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 3a1c s ILE 544 CO 0.02 0.47 -0.07 0.00 0.00 0.00 0.00 174.94 175.36 3a1c s ALA 545 N 0.19 2.96 -0.00 9.38 0.00 -0.54 -0.54 121.76 133.20 3a1c s ALA 545 Ca -0.10 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.03 3a1c s ALA 545 Cb -0.14 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 3a1c s ALA 545 CO 0.05 0.54 -0.19 0.08 0.00 0.00 0.00 175.76 176.23 3a1c s VAL 546 N -0.68 1.52 0.02 0.00 1.01 0.10 -0.86 120.40 121.51 3a1c s VAL 546 Ca 0.10 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.21 3a1c s VAL 546 Cb -0.11 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 3a1c s VAL 546 CO 0.02 0.38 -0.04 -0.55 0.00 0.00 0.00 175.10 174.91 3a1c s SER 547 N -0.58 0.42 0.58 3.32 0.15 -0.33 -0.28 113.70 116.98 3a1c s SER 547 Ca 0.07 -0.34 0.08 0.00 0.70 0.00 0.00 55.95 56.47 3a1c s SER 547 Cb -0.08 0.03 0.08 0.00 -1.71 0.00 0.00 66.02 64.34 3a1c s SER 547 CO -0.00 -0.15 0.69 -0.62 1.20 0.00 0.00 173.24 174.36 3a1c s ASP 548 N -0.95 4.91 0.05 5.45 -1.08 -1.26 -1.16 116.67 122.63 3a1c s ASP 548 Ca -0.08 -1.01 0.07 0.00 -0.52 0.00 0.00 52.55 51.01 3a1c s ASP 548 Cb -0.06 0.43 -0.03 0.00 -1.46 0.00 0.00 42.92 41.79 3a1c s ASP 548 CO -0.00 -1.32 -0.19 -0.89 0.52 0.00 0.00 175.17 173.29 3a1c s THR 549 N -2.73 2.71 0.38 1.71 2.01 -1.26 -5.00 115.64 113.45 3a1c s THR 549 Ca 0.53 -1.24 -0.27 0.00 0.31 0.00 0.00 61.69 61.02 3a1c s THR 549 Cb -0.04 -2.14 -0.09 0.00 0.01 0.00 0.00 72.50 70.23 3a1c s THR 549 CO 0.34 0.32 1.31 -0.76 -0.69 0.00 0.00 174.62 175.14 3a1c s LEU 550 N -1.47 4.30 0.50 4.42 1.43 -1.26 -1.22 118.68 125.38 3a1c s LEU 550 Ca 0.14 2.69 -0.23 0.00 -1.03 0.00 0.00 54.13 55.71 3a1c s LEU 550 Cb -0.10 -3.79 -0.07 0.00 0.03 0.00 0.00 46.19 42.25 3a1c s LEU 550 CO 0.05 -0.73 1.20 0.29 0.23 0.00 0.00 176.35 177.40 3a1c n LYS 551 N 0.41 1.56 0.16 1.70 5.02 0.25 -4.73 118.16 122.52 3a1c n LYS 551 Ca 0.02 0.57 0.15 0.00 -2.02 0.00 0.00 58.31 57.03 3a1c n LYS 551 Cb 0.43 -2.36 0.72 0.00 -0.02 0.00 0.00 35.03 33.80 3a1c n LYS 551 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3a1c h GLU 552 N 1.46 0.00 -0.00 1.97 4.39 -1.93 -2.06 114.58 118.40 3a1c h GLU 552 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3a1c h GLU 552 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3a1c h GLU 552 CO 0.57 0.00 -0.11 -1.13 -1.16 0.00 0.00 179.01 177.17 3a1c n SER 553 N -4.24 0.19 0.15 1.42 3.41 -1.26 -4.24 113.62 109.05 3a1c n SER 553 Ca 0.03 0.03 -0.14 0.00 -0.26 0.00 0.00 58.87 58.54 3a1c n SER 553 Cb 0.33 -0.24 -0.08 0.00 -0.26 0.00 0.00 64.21 63.96 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 3.20 -0.39 0.04 7.33 0.00 -1.70 -1.91 119.26 125.83 3a1c h ALA 554 Ca 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3a1c h ALA 554 Cb 0.43 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3a1c h ALA 554 CO 0.00 -0.58 -0.29 -0.22 0.00 0.00 0.00 179.25 178.16 3a1c h LYS 555 N -0.67 -0.45 -0.30 0.00 1.63 -1.77 -1.40 116.57 113.61 3a1c h LYS 555 Ca -0.04 0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.73 3a1c h LYS 555 Cb 0.47 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 3a1c h LYS 555 CO 0.07 -0.30 -0.08 -1.00 -3.45 0.00 0.00 179.45 174.68 3a1c h PRO 556 N -0.47 0.48 -0.44 1.90 0.13 -1.78 -0.37 132.00 131.46 3a1c h PRO 556 Ca 0.05 -0.12 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3a1c h PRO 556 Cb 0.53 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 3a1c h PRO 556 CO -0.22 0.58 0.27 0.00 -0.23 0.00 0.00 178.00 178.39 3a1c h ALA 557 N 1.46 0.55 -0.25 -0.56 0.00 -1.07 -0.57 119.26 118.82 3a1c h ALA 557 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3a1c h ALA 557 Cb 0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3a1c h ALA 557 CO 0.02 0.04 0.10 0.28 0.00 0.00 0.00 179.25 179.69 3a1c h VAL 558 N 0.58 1.17 -0.50 0.00 2.07 -0.96 -1.21 116.25 117.40 3a1c h VAL 558 Ca 0.16 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.18 3a1c h VAL 558 Cb -0.01 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 3a1c h VAL 558 CO -0.03 0.18 0.28 1.56 0.02 0.00 0.00 177.57 179.57 3a1c h GLN 559 N 0.25 0.53 -0.37 1.57 4.20 -0.84 -0.55 115.11 119.89 3a1c h GLN 559 Ca 0.08 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.62 3a1c h GLN 559 Cb 0.19 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3a1c h GLN 559 CO -0.01 0.35 -0.31 1.49 -0.67 0.00 0.00 178.83 179.69 3a1c h GLU 560 N 0.55 0.86 -0.52 1.46 4.57 -0.95 -0.40 114.58 120.16 3a1c h GLU 560 Ca 0.21 -0.43 0.04 0.00 -1.18 0.00 0.00 59.36 58.00 3a1c h GLU 560 Cb 0.07 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 3a1c h GLU 560 CO -0.12 1.08 0.28 -0.07 -1.18 0.00 0.00 179.01 178.99 3a1c h LEU 561 N 0.67 0.41 -0.82 1.64 4.07 -0.83 -1.51 115.31 118.93 3a1c h LEU 561 Ca 0.07 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.00 3a1c h LEU 561 Cb 0.89 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.53 3a1c h LEU 561 CO 0.08 0.29 0.33 0.11 -1.08 0.00 0.00 178.44 178.17 3a1c h LYS 562 N 0.54 1.20 -0.12 1.13 1.57 -0.82 -1.94 116.57 118.12 3a1c h LYS 562 Ca 0.22 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3a1c h LYS 562 Cb 0.10 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3a1c h LYS 562 CO -0.14 0.96 0.03 -0.09 -0.57 0.00 0.00 179.45 179.64 3a1c h ARG 563 N 1.17 0.17 0.00 3.15 2.43 -0.69 -0.26 114.38 120.34 3a1c h ARG 563 Ca 0.27 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3a1c h ARG 563 Cb 0.20 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3a1c h ARG 563 CO -0.02 0.16 0.00 -1.33 -1.51 0.00 0.00 179.97 177.26 3a1c n MET 564 N -4.47 0.96 -0.86 0.20 2.81 -0.60 -4.90 117.12 110.26 3a1c n MET 564 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 3a1c n MET 564 Cb 0.12 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 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 0.96 0.47 3.78 3.03 0.00 -0.11 -5.05 105.19 108.28 3a1c n GLY 565 Ca 0.23 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 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 5.40 0.29 -0.61 1.01 -0.81 -4.99 121.20 119.49 3a1c s ILE 566 Ca 0.00 0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.54 3a1c s ILE 566 Cb 0.00 -3.42 -0.09 0.00 0.01 0.00 0.00 42.46 38.95 3a1c s ILE 566 CO 0.00 0.51 1.08 -0.54 0.00 0.00 0.00 174.94 175.99 3a1c s LYS 567 N -0.15 4.60 -0.06 2.79 1.02 0.03 -3.71 119.74 124.27 3a1c s LYS 567 Ca 0.10 1.75 0.03 0.00 0.02 0.00 0.00 55.97 57.87 3a1c s LYS 567 Cb -0.11 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 3a1c s LYS 567 CO 0.00 0.19 -0.16 0.08 -0.92 0.00 0.00 175.35 174.55 3a1c s VAL 568 N -1.22 1.37 0.33 3.17 1.01 -1.26 -0.55 120.40 123.25 3a1c s VAL 568 Ca 0.46 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.82 3a1c s VAL 568 Cb -0.30 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 3a1c s VAL 568 CO 0.39 0.40 0.13 -0.83 0.00 0.00 0.00 175.10 175.20 3a1c s GLY 569 N 0.36 2.15 0.03 4.51 0.00 -0.02 -0.04 107.32 114.31 3a1c s GLY 569 Ca -0.11 -1.70 0.04 0.00 0.00 0.00 0.00 44.72 42.96 3a1c s GLY 569 CO 0.04 -1.67 -0.13 -0.29 0.00 0.00 0.00 173.10 171.05 3a1c s MET 570 N -3.82 0.87 0.01 2.90 1.75 -1.12 -0.78 119.30 119.10 3a1c s MET 570 Ca 0.33 -0.69 0.04 0.00 -1.25 0.00 0.00 55.69 54.13 3a1c s MET 570 Cb 0.05 -0.85 -0.01 0.00 2.84 0.00 0.00 34.83 36.85 3a1c s MET 570 CO 0.16 0.21 -0.14 -1.50 -0.65 0.00 0.00 175.02 173.11 3a1c s ILE 571 N -0.80 1.10 0.02 10.11 2.07 -0.21 -0.64 121.20 132.86 3a1c s ILE 571 Ca 0.01 -0.72 -0.28 0.00 -1.41 0.00 0.00 60.65 58.25 3a1c s ILE 571 Cb -0.07 -0.94 0.07 0.00 0.13 0.00 0.00 42.46 41.65 3a1c s ILE 571 CO 0.01 0.21 0.68 0.28 -1.91 0.00 0.00 174.94 174.21 3a1c s THR 572 N -0.49 0.00 -0.99 4.00 -1.32 -0.41 -1.22 115.64 115.21 3a1c s THR 572 Ca 0.04 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 60.81 3a1c s THR 572 Cb -0.06 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.14 3a1c s THR 572 CO 0.00 0.00 1.87 0.61 -2.21 0.00 0.00 174.62 174.89 3a1c n GLY 573 N 0.39 -1.48 3.79 6.08 0.00 -1.26 -2.12 105.19 110.60 3a1c n GLY 573 Ca -0.17 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 3a1c n GLY 573 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a1c s ASP 574 N -3.05 2.41 0.59 1.61 2.15 -1.26 -3.88 116.67 115.23 3a1c s ASP 574 Ca 0.14 0.48 -0.17 0.00 0.43 0.00 0.00 52.55 53.43 3a1c s ASP 574 Cb 0.19 -0.66 -0.04 0.00 -0.30 0.00 0.00 42.92 42.11 3a1c s ASP 574 CO 0.55 -3.19 1.08 0.54 -0.17 0.00 0.00 175.17 173.99 3a1c s ASN 575 N -4.44 5.65 0.16 -0.34 2.20 -1.26 -0.87 114.94 116.04 3a1c s ASN 575 Ca 0.71 1.96 -0.14 0.00 -0.94 0.00 0.00 52.86 54.46 3a1c s ASN 575 Cb -0.07 -2.55 0.05 0.00 -2.00 0.00 0.00 41.25 36.68 3a1c s ASN 575 CO 0.54 -1.26 1.73 -0.50 -2.94 0.00 0.00 177.10 174.67 3a1c h TRP 576 N 0.62 0.77 -0.77 1.54 4.06 -1.94 -2.19 115.95 118.04 3a1c h TRP 576 Ca -0.48 -0.04 -0.01 0.00 2.06 0.00 0.00 58.89 60.42 3a1c h TRP 576 Cb 1.24 -0.24 -0.04 0.00 -1.00 0.00 0.00 29.16 29.12 3a1c h TRP 576 CO 0.56 0.61 0.45 0.00 -3.56 0.00 0.00 178.44 176.50 3a1c h ARG 577 N 0.70 1.06 -0.48 0.49 3.08 -1.93 0.13 114.38 117.43 3a1c h ARG 577 Ca 0.18 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 3a1c h ARG 577 Cb 0.14 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3a1c h ARG 577 CO -0.02 0.76 -0.16 1.03 -1.07 0.00 0.00 179.97 180.51 3a1c h SER 578 N 1.06 0.98 -0.69 7.04 0.87 -1.49 -1.70 113.55 119.63 3a1c h SER 578 Ca 0.27 -0.38 -0.07 0.00 -1.23 0.00 0.00 61.79 60.39 3a1c h SER 578 Cb -0.01 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.65 3a1c h SER 578 CO -0.05 1.14 0.16 0.00 -0.53 0.00 0.00 176.83 177.55 3a1c h ALA 579 N 0.88 0.97 -0.61 6.23 0.00 -0.83 -1.37 119.26 124.52 3a1c h ALA 579 Ca 0.12 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3a1c h ALA 579 Cb 0.73 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3a1c h ALA 579 CO 0.06 0.66 0.03 1.49 0.00 0.00 0.00 179.25 181.49 3a1c h GLU 580 N 1.06 1.05 -0.69 0.00 4.57 -0.64 0.80 114.58 120.72 3a1c h GLU 580 Ca 0.22 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3a1c h GLU 580 Cb 0.38 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 3a1c h GLU 580 CO 0.00 1.01 0.45 0.00 -1.18 0.00 0.00 179.01 179.29 3a1c h ALA 581 N 1.05 0.88 -0.50 2.92 0.00 -0.93 -0.26 119.26 122.42 3a1c h ALA 581 Ca 0.18 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3a1c h ALA 581 Cb 0.51 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3a1c h ALA 581 CO 0.02 0.32 -0.06 0.82 0.00 0.00 0.00 179.25 180.35 3a1c h ILE 582 N 0.94 1.27 -0.62 0.00 2.04 -0.92 -1.77 117.51 118.44 3a1c h ILE 582 Ca 0.25 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.94 3a1c h ILE 582 Cb -0.09 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3a1c h ILE 582 CO -0.05 0.41 0.40 -1.28 0.00 0.00 0.00 178.15 177.63 3a1c h SER 583 N 0.79 0.73 -0.35 1.72 0.87 -0.43 -0.11 113.55 116.76 3a1c h SER 583 Ca 0.13 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3a1c h SER 583 Cb 0.60 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 3a1c h SER 583 CO 0.04 0.55 0.22 0.03 -0.53 0.00 0.00 176.83 177.13 3a1c h ARG 584 N 0.85 0.48 -0.38 2.24 3.08 -0.95 -0.17 114.38 119.53 3a1c h ARG 584 Ca 0.23 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3a1c h ARG 584 Cb -0.07 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3a1c h ARG 584 CO -0.05 0.36 0.20 1.49 -1.07 0.00 0.00 179.97 180.90 3a1c h GLU 585 N 0.46 0.53 -0.01 0.04 4.57 -0.79 -2.96 114.58 116.42 3a1c h GLU 585 Ca 0.13 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3a1c h GLU 585 Cb -0.00 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 3a1c h GLU 585 CO -0.02 0.45 -0.01 1.28 -1.18 0.00 0.00 179.01 179.52 3a1c n LEU 586 N -4.74 1.39 -3.70 1.64 4.77 -0.10 -4.93 117.00 111.32 3a1c n LEU 586 Ca -0.00 -0.46 -0.25 0.00 -0.03 0.00 0.00 56.01 55.27 3a1c n LEU 586 Cb 0.09 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.23 3a1c n LEU 586 CO 0.36 0.23 0.15 0.59 -1.33 0.00 0.00 177.39 177.39 3a1c n ASN 587 N 0.06 -4.87 -4.75 -1.43 3.02 -0.20 -4.82 115.26 102.27 3a1c n ASN 587 Ca 0.19 -0.66 -0.36 0.00 -0.03 0.00 0.00 54.58 53.72 3a1c n ASN 587 Cb 0.34 -4.54 0.03 0.00 -0.61 0.00 0.00 39.78 35.00 3a1c n ASN 587 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3a1c s LEU 588 N -7.14 3.67 0.31 3.41 1.02 -0.50 -4.93 118.68 114.51 3a1c s LEU 588 Ca 0.50 2.41 0.15 0.00 0.02 0.00 0.00 54.13 57.21 3a1c s LEU 588 Cb -0.23 -4.59 0.36 0.00 0.02 0.00 0.00 46.19 41.74 3a1c s LEU 588 CO 0.77 -1.61 1.58 0.44 0.02 0.00 0.00 176.35 177.56 3a1c h ASP 589 N 0.89 0.00 -4.99 2.29 5.19 -0.81 -3.47 116.42 115.52 3a1c h ASP 589 Ca -0.50 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.87 3a1c h ASP 589 Cb 1.30 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.67 3a1c h ASP 589 CO 0.55 0.51 0.21 -1.48 -3.12 0.00 0.00 179.24 175.91 3a1c s LEU 590 N -6.88 -0.59 -0.06 1.55 0.05 -1.15 -4.98 118.68 106.62 3a1c s LEU 590 Ca 0.01 0.21 -0.04 0.00 0.05 0.00 0.00 54.13 54.36 3a1c s LEU 590 Cb 0.10 2.57 0.02 0.00 -2.05 0.00 0.00 46.19 46.84 3a1c s LEU 590 CO 0.73 -0.86 0.14 0.54 -0.55 0.00 0.00 176.35 176.35 3a1c s VAL 591 N -2.98 -0.02 -0.13 1.48 0.11 -1.26 -2.81 120.40 114.79 3a1c s VAL 591 Ca -0.02 0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 59.09 3a1c s VAL 591 Cb -0.01 -0.22 0.03 0.00 -1.53 0.00 0.00 36.38 34.65 3a1c s VAL 591 CO -0.06 0.03 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.04 3a1c s ILE 592 N 0.51 1.00 0.42 7.04 1.01 0.18 -4.98 121.20 126.39 3a1c s ILE 592 Ca -0.04 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.30 3a1c s ILE 592 Cb -0.05 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 3a1c s ILE 592 CO -0.02 0.29 0.16 0.00 0.00 0.00 0.00 174.94 175.37 3a1c s ALA 593 N 1.71 2.93 -1.22 9.38 0.00 -1.26 -1.28 121.76 132.02 3a1c s ALA 593 Ca 0.04 -1.21 -0.09 0.00 0.00 0.00 0.00 51.96 50.70 3a1c s ALA 593 Cb -0.13 0.85 0.07 0.00 0.00 0.00 0.00 23.12 23.90 3a1c s ALA 593 CO -0.08 -0.38 0.42 0.39 0.00 0.00 0.00 175.76 176.11 3a1c n GLU 594 N -0.93 -3.15 -2.32 0.00 1.02 -0.05 -4.88 120.64 110.32 3a1c n GLU 594 Ca -0.05 0.44 -0.42 0.00 -0.02 0.00 0.00 57.16 57.11 3a1c n GLU 594 Cb 0.64 -5.13 -0.03 0.00 -0.02 0.00 0.00 31.44 26.91 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 -2.86 3.97 0.77 2.62 1.01 -0.96 -4.95 120.40 119.99 3a1c s VAL 595 Ca 0.36 1.31 -0.13 0.00 0.00 0.00 0.00 61.98 63.52 3a1c s VAL 595 Cb -0.19 -3.84 0.06 0.00 0.00 0.00 0.00 36.38 32.40 3a1c s VAL 595 CO 0.44 -0.02 1.16 -0.76 0.00 0.00 0.00 175.10 175.92 3a1c s LEU 596 N 2.53 3.18 0.08 3.92 1.43 -1.26 -4.43 118.68 124.13 3a1c s LEU 596 Ca 0.60 2.17 -0.37 0.00 -1.03 0.00 0.00 54.13 55.50 3a1c s LEU 596 Cb -0.28 -4.57 -0.17 0.00 0.03 0.00 0.00 46.19 41.20 3a1c s LEU 596 CO 0.24 -2.30 1.24 -2.65 0.23 0.00 0.00 176.35 173.10 3a1c n PRO 597 N -3.14 0.86 -0.92 1.29 -0.02 -1.26 -1.57 135.00 130.24 3a1c n PRO 597 Ca 0.12 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3a1c n PRO 597 Cb 0.51 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3a1c n PRO 597 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3a1c n HIS 598 N 2.09 0.00 1.26 6.00 8.25 -1.26 -4.90 115.22 126.66 3a1c n HIS 598 Ca 0.18 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.77 3a1c n HIS 598 Cb 0.17 -0.40 0.32 0.00 1.12 0.00 0.00 29.99 31.21 3a1c n HIS 598 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3a1c n GLN 599 N -2.01 1.65 -0.35 -0.41 1.13 -0.61 -4.34 117.38 112.44 3a1c n GLN 599 Ca 0.00 -1.15 -0.01 0.00 -1.94 0.00 0.00 57.00 53.89 3a1c n GLN 599 Cb 0.04 -1.48 0.14 0.00 0.11 0.00 0.00 30.24 29.05 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 2.81 1.26 -1.01 -1.09 1.57 -1.91 -1.45 116.57 116.76 3a1c h LYS 600 Ca 0.00 -0.08 0.08 0.00 -1.87 0.00 0.00 60.65 58.78 3a1c h LYS 600 Cb 0.67 -0.28 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 3a1c h LYS 600 CO 0.00 0.84 0.65 0.77 -0.57 0.00 0.00 179.45 181.13 3a1c h SER 601 N 1.30 1.02 -0.04 0.86 0.02 -1.88 -0.50 113.55 114.33 3a1c h SER 601 Ca 0.35 0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 61.16 3a1c h SER 601 Cb -0.15 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.19 3a1c h SER 601 CO -0.08 0.63 -0.51 -0.08 -1.14 0.00 0.00 176.83 175.64 3a1c h GLU 602 N 1.14 0.61 -0.51 3.45 4.57 -1.57 0.95 114.58 123.22 3a1c h GLU 602 Ca 0.45 -0.37 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 3a1c h GLU 602 Cb 0.24 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 3a1c h GLU 602 CO -0.19 0.98 0.14 0.93 -1.18 0.00 0.00 179.01 179.68 3a1c h GLU 603 N 0.48 0.81 -0.52 1.92 4.39 -0.82 -0.91 114.58 119.92 3a1c h GLU 603 Ca 0.02 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 3a1c h GLU 603 Cb 1.06 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 3a1c h GLU 603 CO 0.10 0.77 0.32 0.28 -1.16 0.00 0.00 179.01 179.32 3a1c h VAL 604 N 0.70 1.15 -0.98 3.13 2.07 -0.88 -2.48 116.25 118.96 3a1c h VAL 604 Ca 0.16 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3a1c h VAL 604 Cb 0.31 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 3a1c h VAL 604 CO -0.00 0.16 0.63 0.50 0.02 0.00 0.00 177.57 178.87 3a1c h LYS 605 N 0.70 1.31 -0.52 1.57 3.64 -0.50 -0.88 116.57 121.89 3a1c h LYS 605 Ca 0.19 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3a1c h LYS 605 Cb -0.02 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 31.49 3a1c h LYS 605 CO -0.04 0.89 0.23 -0.22 -2.27 0.00 0.00 179.45 178.04 3a1c h LYS 606 N 1.34 0.77 -0.36 1.90 1.63 -1.00 -2.71 116.57 118.14 3a1c h LYS 606 Ca 0.36 -0.13 -0.02 0.00 -0.85 0.00 0.00 60.65 60.00 3a1c h LYS 606 Cb -0.11 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.37 3a1c h LYS 606 CO -0.07 0.66 0.12 -0.07 -3.45 0.00 0.00 179.45 176.63 3a1c h LEU 607 N 0.70 0.46 -0.06 5.20 3.38 -0.89 -2.77 115.31 121.32 3a1c h LEU 607 Ca 0.18 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3a1c h LEU 607 Cb 0.16 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3a1c h LEU 607 CO -0.02 0.44 0.00 0.00 0.09 0.00 0.00 178.44 178.95 3a1c n GLN 608 N -4.37 0.01 -0.02 1.13 6.02 -0.41 -1.09 117.38 118.65 3a1c n GLN 608 Ca 0.02 0.38 0.01 0.00 -0.01 0.00 0.00 57.00 57.40 3a1c n GLN 608 Cb 0.16 -1.52 0.32 0.00 1.02 0.00 0.00 30.24 30.22 3a1c n GLN 608 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a1c h ALA 609 N 2.25 1.46 0.00 -1.58 0.00 -1.51 -3.34 119.26 116.53 3a1c h ALA 609 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3a1c h ALA 609 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3a1c h ALA 609 CO 0.00 0.40 -0.81 1.63 0.00 0.00 0.00 179.25 180.47 3a1c n LYS 610 N -4.34 1.56 -4.35 0.00 5.02 -0.89 -5.07 118.16 110.09 3a1c n LYS 610 Ca 0.02 -0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 56.04 3a1c n LYS 610 Cb 0.18 -0.91 -0.13 0.00 -0.02 0.00 0.00 35.03 34.16 3a1c n LYS 610 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3a1c s GLU 611 N -1.83 1.30 -0.38 1.97 0.41 -0.25 -5.10 118.70 114.81 3a1c s GLU 611 Ca -0.00 -1.29 -0.20 0.00 -0.41 0.00 0.00 54.97 53.06 3a1c s GLU 611 Cb 0.01 -1.67 0.01 0.00 -1.78 0.00 0.00 34.13 30.69 3a1c s GLU 611 CO 0.03 0.39 0.64 0.08 -0.49 0.00 0.00 175.26 175.91 3a1c s VAL 612 N -1.19 4.87 -0.19 2.63 1.01 -1.26 -4.18 120.40 122.09 3a1c s VAL 612 Ca 0.12 0.45 -0.06 0.00 0.00 0.00 0.00 61.98 62.49 3a1c s VAL 612 Cb -0.10 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 3a1c s VAL 612 CO 0.06 -0.40 0.02 -0.69 0.00 0.00 0.00 175.10 174.09 3a1c s VAL 613 N 2.75 4.27 -0.21 2.92 1.01 -1.26 -0.69 120.40 129.18 3a1c s VAL 613 Ca 0.24 -0.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 3a1c s VAL 613 Cb -0.14 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 3a1c s VAL 613 CO 0.16 0.45 0.15 0.00 0.00 0.00 0.00 175.10 175.86 3a1c s ALA 614 N 0.67 3.65 -0.17 5.51 0.00 -0.01 -1.36 121.76 130.05 3a1c s ALA 614 Ca 0.01 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 3a1c s ALA 614 Cb -0.14 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.70 3a1c s ALA 614 CO 0.02 0.01 -0.01 0.12 0.00 0.00 0.00 175.76 175.90 3a1c s PHE 615 N 0.66 3.07 -0.24 0.00 5.36 -0.49 -0.45 117.98 125.88 3a1c s PHE 615 Ca 0.08 -0.27 -0.04 0.00 -0.96 0.00 0.00 56.93 55.75 3a1c s PHE 615 Cb -0.12 -2.01 0.00 0.00 -0.34 0.00 0.00 43.02 40.55 3a1c s PHE 615 CO 0.01 -0.05 -0.03 0.08 -1.46 0.00 0.00 175.22 173.77 3a1c s VAL 616 N 0.51 3.34 0.00 3.12 1.01 0.39 -0.80 120.40 127.97 3a1c s VAL 616 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3a1c s VAL 616 Cb -0.14 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.65 3a1c s VAL 616 CO 0.02 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.05 3a1c n GLY 617 N 4.78 4.11 0.02 4.51 0.00 0.08 -0.68 105.19 118.01 3a1c n GLY 617 Ca -0.17 -1.36 0.12 0.00 0.00 0.00 0.00 46.02 44.61 3a1c n GLY 617 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a1c n ASP 618 N -1.11 0.53 0.00 1.61 5.68 -1.23 -0.30 116.55 121.73 3a1c n ASP 618 Ca 0.00 -0.10 0.00 0.00 -0.50 0.00 0.00 54.79 54.19 3a1c n ASP 618 Cb 0.00 0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 3a1c n ASP 618 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a1c n GLY 619 N 1.45 1.78 0.80 6.12 0.00 -1.26 -4.52 105.19 109.56 3a1c n GLY 619 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.00 0.62 1.12 -0.61 2.08 -1.26 -1.18 119.36 118.13 3a1c n ILE 620 Ca 0.00 0.02 0.12 0.00 0.56 0.00 0.00 62.75 63.45 3a1c n ILE 620 Cb 0.00 -1.64 0.18 0.00 -0.75 0.00 0.00 39.64 37.43 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 1.74 -1.76 4.38 4.13 -1.26 -4.30 115.26 114.76 3a1c n ASN 621 Ca -0.11 -1.35 0.01 0.00 1.68 0.00 0.00 54.58 54.82 3a1c n ASN 621 Cb 0.47 0.28 0.06 0.00 -1.54 0.00 0.00 39.78 39.04 3a1c n ASN 621 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3a1c n ASP 622 N -0.09 1.57 -0.29 6.41 5.68 -1.26 -4.91 116.55 123.66 3a1c n ASP 622 Ca 0.11 -2.43 0.06 0.00 -0.50 0.00 0.00 54.79 52.03 3a1c n ASP 622 Cb 0.43 -0.39 0.20 0.00 -1.14 0.00 0.00 41.12 40.23 3a1c n ASP 622 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a1c h ALA 623 N 1.52 1.22 -0.75 2.12 0.00 -1.83 -2.27 119.26 119.27 3a1c h ALA 623 Ca -0.12 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3a1c h ALA 623 Cb 1.57 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 3a1c h ALA 623 CO 0.16 -0.06 0.49 -1.35 0.00 0.00 0.00 179.25 178.48 3a1c h PRO 624 N 0.64 0.95 -0.67 0.00 0.11 -1.95 -0.77 132.00 130.30 3a1c h PRO 624 Ca 0.44 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.42 3a1c h PRO 624 Cb 0.58 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.45 3a1c h PRO 624 CO -0.34 0.63 0.13 0.00 -0.21 0.00 0.00 178.00 178.21 3a1c h ALA 625 N 1.29 0.89 -0.81 -0.75 0.00 -1.84 -0.28 119.26 117.76 3a1c h ALA 625 Ca 0.28 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3a1c h ALA 625 Cb -0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 3a1c h ALA 625 CO -0.08 0.64 0.51 -0.07 0.00 0.00 0.00 179.25 180.25 3a1c h LEU 626 N 1.02 0.84 -0.45 0.00 3.38 -1.04 -1.40 115.31 117.66 3a1c h LEU 626 Ca 0.21 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 3a1c h LEU 626 Cb 0.42 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3a1c h LEU 626 CO 0.01 0.58 -0.07 0.00 0.09 0.00 0.00 178.44 179.05 3a1c h ALA 627 N 1.34 0.62 -0.70 1.53 0.00 -0.75 -3.21 119.26 118.09 3a1c h ALA 627 Ca 0.33 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3a1c h ALA 627 Cb 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3a1c h ALA 627 CO -0.12 0.48 0.15 0.37 0.00 0.00 0.00 179.25 180.12 3a1c h GLN 628 N 0.68 1.13 -7.13 0.00 5.75 -0.71 -3.44 115.11 111.40 3a1c h GLN 628 Ca 0.12 -0.28 -0.55 0.00 -0.15 0.00 0.00 58.65 57.78 3a1c h GLN 628 Cb 0.59 -0.14 0.16 0.00 1.07 0.00 0.00 27.48 29.16 3a1c h GLN 628 CO 0.04 1.01 0.49 0.00 -2.65 0.00 0.00 178.83 177.71 3a1c s ALA 629 N -5.27 2.28 0.26 3.38 0.00 -0.56 -4.91 121.76 116.94 3a1c s ALA 629 Ca -0.12 1.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.98 3a1c s ALA 629 Cb 0.15 -3.55 0.45 0.00 0.00 0.00 0.00 23.12 20.17 3a1c s ALA 629 CO 0.85 -1.72 1.83 -0.44 0.00 0.00 0.00 175.76 176.28 3a1c h ASP 630 N 0.30 0.83 -3.28 0.00 5.19 -1.52 -3.40 116.42 114.54 3a1c h ASP 630 Ca -0.50 0.04 -0.44 0.00 -0.62 0.00 0.00 57.03 55.50 3a1c h ASP 630 Cb 1.33 -0.13 -0.37 0.00 0.18 0.00 0.00 39.33 40.34 3a1c h ASP 630 CO 0.52 0.48 -0.77 -0.22 -3.12 0.00 0.00 179.24 176.12 3a1c s LEU 631 N -10.24 0.80 -0.23 1.55 2.96 -0.82 -5.01 118.68 107.70 3a1c s LEU 631 Ca -0.12 -0.12 -0.10 0.00 -0.22 0.00 0.00 54.13 53.57 3a1c s LEU 631 Cb 0.20 -0.50 -0.05 0.00 0.50 0.00 0.00 46.19 46.35 3a1c s LEU 631 CO 0.80 -0.16 0.14 -0.83 -1.32 0.00 0.00 176.35 174.97 3a1c s GLY 632 N 1.74 1.97 -0.18 7.98 0.00 -1.25 -1.40 107.32 116.19 3a1c s GLY 632 Ca 0.02 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.89 3a1c s GLY 632 CO -0.05 0.32 -0.19 -0.42 0.00 0.00 0.00 173.10 172.76 3a1c s ILE 633 N 0.90 2.14 -0.01 0.90 1.01 0.02 -0.56 121.20 125.60 3a1c s ILE 633 Ca 0.07 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.65 3a1c s ILE 633 Cb -0.13 -1.90 -0.06 0.00 0.01 0.00 0.00 42.46 40.39 3a1c s ILE 633 CO 0.03 0.53 0.42 0.00 0.00 0.00 0.00 174.94 175.92 3a1c s ALA 634 N 1.24 3.67 -0.05 9.38 0.00 -0.15 -0.74 121.76 135.11 3a1c s ALA 634 Ca 0.04 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.82 3a1c s ALA 634 Cb -0.13 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.53 3a1c s ALA 634 CO -0.11 0.42 -0.14 0.08 0.00 0.00 0.00 175.76 176.01 3a1c s VAL 635 N -0.87 3.11 -0.44 0.00 1.01 0.59 -0.26 120.40 123.55 3a1c s VAL 635 Ca 0.24 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3a1c s VAL 635 Cb -0.17 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 33.99 3a1c s VAL 635 CO 0.13 0.59 0.37 0.61 0.00 0.00 0.00 175.10 176.80 3a1c n GLY 636 N 2.29 0.34 0.19 4.51 0.00 -0.13 -4.67 105.19 107.72 3a1c n GLY 636 Ca -0.17 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.80 0.00 -2.33 1.61 4.64 -1.07 -3.46 113.55 112.14 3a1c h SER 637 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3a1c h SER 637 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3a1c h SER 637 CO 0.18 0.39 0.00 0.61 -0.87 0.00 0.00 176.83 177.14 3a1c n GLY 638 N -0.16 -1.47 0.26 -0.77 0.00 -0.40 -4.37 105.19 98.29 3a1c n GLY 638 Ca -0.01 -1.25 0.16 0.00 0.00 0.00 0.00 46.02 44.92 3a1c n GLY 638 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3a1c h SER 639 N 0.00 0.00 -3.71 1.61 0.02 -1.96 -3.42 113.55 106.10 3a1c h SER 639 Ca 0.00 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 3a1c h SER 639 Cb 0.00 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.37 3a1c h SER 639 CO 0.00 0.00 -0.53 -0.62 -1.14 0.00 0.00 176.83 174.54 3a1c s ASP 640 N -5.76 5.90 -0.15 3.07 2.15 -1.26 -4.97 116.67 115.65 3a1c s ASP 640 Ca 0.02 0.01 0.16 0.00 0.43 0.00 0.00 52.55 53.18 3a1c s ASP 640 Cb 0.08 -2.08 0.46 0.00 -0.30 0.00 0.00 42.92 41.08 3a1c s ASP 640 CO 0.57 0.01 1.35 1.33 -0.17 0.00 0.00 175.17 178.25 3a1c n VAL 641 N 4.66 2.09 -0.01 1.11 0.24 -1.26 -4.77 118.33 120.39 3a1c n VAL 641 Ca -0.15 -1.87 -0.11 0.00 -2.04 0.00 0.00 64.34 60.18 3a1c n VAL 641 Cb 0.52 -0.18 -0.05 0.00 -1.47 0.00 0.00 33.84 32.66 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 1.44 0.16 0.00 2.33 0.00 -1.97 -3.33 119.26 117.87 3a1c h ALA 642 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3a1c h ALA 642 Cb 1.29 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3a1c h ALA 642 CO 0.16 -0.36 -1.91 1.33 0.00 0.00 0.00 179.25 178.47 3a1c n VAL 643 N -5.01 0.47 -1.94 0.00 0.24 -1.26 -4.95 118.33 105.87 3a1c n VAL 643 Ca -0.05 -0.60 -0.42 0.00 -2.04 0.00 0.00 64.34 61.24 3a1c n VAL 643 Cb 0.03 -0.21 -0.03 0.00 -1.47 0.00 0.00 33.84 32.17 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 -3.23 4.21 0.58 7.34 8.01 -1.25 -4.87 118.70 129.48 3a1c s GLU 644 Ca -0.07 2.34 -0.06 0.00 0.01 0.00 0.00 54.97 57.19 3a1c s GLU 644 Cb 0.11 -3.34 0.01 0.00 -4.31 0.00 0.00 34.13 26.60 3a1c s GLU 644 CO 0.87 -0.65 0.89 -1.12 0.01 0.00 0.00 175.26 175.26 3a1c s SER 645 N 1.66 5.61 0.00 -0.19 0.01 -0.32 -5.04 113.70 115.43 3a1c s SER 645 Ca 0.71 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.67 3a1c s SER 645 Cb -0.42 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.11 3a1c s SER 645 CO 0.32 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.54 3a1c n GLY 646 N -2.55 3.53 0.07 3.44 0.00 -1.26 -4.36 105.19 104.06 3a1c n GLY 646 Ca 0.04 -1.83 -0.06 0.00 0.00 0.00 0.00 46.02 44.18 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 0.00 -3.72 1.61 5.19 -1.18 -3.45 116.42 114.88 3a1c h ASP 647 Ca 0.00 0.00 -0.39 0.00 -0.62 0.00 0.00 57.03 56.02 3a1c h ASP 647 Cb 0.00 0.00 -0.31 0.00 0.18 0.00 0.00 39.33 39.20 3a1c h ASP 647 CO 0.00 0.92 -0.77 -0.63 -3.12 0.00 0.00 179.24 175.64 3a1c s ILE 648 N -2.81 0.59 -0.14 0.35 1.01 -0.82 -1.28 121.20 118.10 3a1c s ILE 648 Ca 0.01 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.45 3a1c s ILE 648 Cb 0.10 -0.55 0.01 0.00 0.01 0.00 0.00 42.46 42.03 3a1c s ILE 648 CO 0.81 0.20 -0.21 -0.69 0.00 0.00 0.00 174.94 175.05 3a1c s VAL 649 N 0.36 1.98 -0.24 2.92 1.01 0.17 -0.98 120.40 125.62 3a1c s VAL 649 Ca -0.05 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 60.90 3a1c s VAL 649 Cb -0.09 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 3a1c s VAL 649 CO 0.00 0.53 0.16 -0.76 0.00 0.00 0.00 175.10 175.03 3a1c s LEU 650 N 0.85 4.07 0.15 3.92 1.43 0.64 -0.14 118.68 129.59 3a1c s LEU 650 Ca -0.07 0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 52.96 3a1c s LEU 650 Cb -0.15 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 43.99 3a1c s LEU 650 CO -0.02 0.05 1.72 0.40 0.23 0.00 0.00 176.35 178.72 3a1c h ILE 651 N 5.09 1.19 -4.01 -0.59 1.08 -1.64 0.00 117.51 118.63 3a1c h ILE 651 Ca -0.37 -0.54 -0.50 0.00 -0.39 0.00 0.00 64.86 63.06 3a1c h ILE 651 Cb 1.17 0.72 0.05 0.00 -3.07 0.00 0.00 36.82 35.69 3a1c h ILE 651 CO 0.64 0.21 0.28 -0.13 -0.69 0.00 0.00 178.15 178.46 3a1c s ARG 652 N -5.68 3.47 0.32 2.37 0.52 -1.26 -1.27 118.95 117.42 3a1c s ARG 652 Ca -0.13 0.46 0.25 0.00 -0.52 0.00 0.00 55.73 55.79 3a1c s ARG 652 Cb 0.11 -2.20 0.61 0.00 0.52 0.00 0.00 34.95 33.98 3a1c s ARG 652 CO 0.76 -0.47 1.70 -0.44 0.02 0.00 0.00 175.30 176.87 3a1c h ASP 653 N -0.12 0.00 -2.27 0.23 3.32 -1.89 -1.54 116.42 114.14 3a1c h ASP 653 Ca -0.45 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.03 3a1c h ASP 653 Cb 1.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 3a1c h ASP 653 CO 0.62 0.00 1.35 -0.62 -1.72 0.00 0.00 179.24 178.87 3a1c s ASP 654 N -5.29 5.87 0.58 6.45 -1.08 -1.26 -4.85 116.67 117.09 3a1c s ASP 654 Ca 0.09 1.97 0.37 0.00 -0.52 0.00 0.00 52.55 54.46 3a1c s ASP 654 Cb 0.09 -2.52 1.81 0.00 -1.46 0.00 0.00 42.92 40.84 3a1c s ASP 654 CO 0.63 -1.62 2.13 -0.07 0.52 0.00 0.00 175.17 176.76 3a1c h LEU 655 N 13.38 0.00 -1.18 -1.34 3.38 -1.90 -1.50 115.31 126.16 3a1c h LEU 655 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3a1c h LEU 655 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3a1c h LEU 655 CO 0.97 0.00 0.00 0.03 0.09 0.00 0.00 178.44 179.53 3a1c h ARG 656 N 0.00 0.00 0.00 1.13 3.08 -1.89 -1.47 114.38 115.22 3a1c h ARG 656 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3a1c h ARG 656 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3a1c h ARG 656 CO 0.00 0.00 -0.27 -0.44 -1.07 0.00 0.00 179.97 178.19 3a1c h ASP 657 N 0.00 0.00 -0.15 7.04 3.45 -1.66 -0.40 116.42 124.71 3a1c h ASP 657 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 3a1c h ASP 657 Cb 0.23 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.99 3a1c h ASP 657 CO 0.00 0.27 0.06 0.58 -1.57 0.00 0.00 179.24 178.58 3a1c h VAL 658 N 0.00 1.15 -0.67 -1.35 2.07 -1.45 -1.19 116.25 114.81 3a1c h VAL 658 Ca -0.00 -0.46 0.04 0.00 0.82 0.00 0.00 66.70 67.09 3a1c h VAL 658 Cb 0.69 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 3a1c h VAL 658 CO 0.04 0.14 0.40 0.58 0.02 0.00 0.00 177.57 178.75 3a1c h VAL 659 N 0.08 1.04 -0.73 2.57 2.07 -1.55 -2.32 116.25 117.40 3a1c h VAL 659 Ca 0.05 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.32 3a1c h VAL 659 Cb 0.17 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 3a1c h VAL 659 CO -0.00 0.14 0.49 0.00 0.02 0.00 0.00 177.57 178.21 3a1c h ALA 660 N 1.31 0.93 -0.64 1.67 0.00 -0.89 0.17 119.26 121.81 3a1c h ALA 660 Ca 0.28 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3a1c h ALA 660 Cb 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3a1c h ALA 660 CO -0.14 0.35 0.34 0.00 0.00 0.00 0.00 179.25 179.80 3a1c h ALA 661 N 1.27 0.82 -0.23 0.00 0.00 -0.92 0.64 119.26 120.85 3a1c h ALA 661 Ca 0.27 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 3a1c h ALA 661 Cb -0.11 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3a1c h ALA 661 CO -0.06 0.35 -0.64 0.82 0.00 0.00 0.00 179.25 179.72 3a1c h ILE 662 N 0.88 1.28 -0.89 0.00 2.04 -1.04 -2.18 117.51 117.60 3a1c h ILE 662 Ca 0.22 -1.83 -0.02 0.00 1.00 0.00 0.00 64.86 64.23 3a1c h ILE 662 Cb 0.06 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 3a1c h ILE 662 CO -0.03 0.59 0.49 1.56 0.00 0.00 0.00 178.15 180.75 3a1c h GLN 663 N 0.60 1.25 -0.84 2.37 4.20 -0.55 -1.19 115.11 120.95 3a1c h GLN 663 Ca -0.01 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.57 3a1c h GLN 663 Cb 1.25 -0.24 -0.05 0.00 0.30 0.00 0.00 27.48 28.74 3a1c h GLN 663 CO 0.14 0.92 0.55 1.25 -0.67 0.00 0.00 178.83 181.01 3a1c h LEU 664 N 1.25 0.93 -0.56 1.46 5.85 -0.82 -0.31 115.31 123.11 3a1c h LEU 664 Ca 0.31 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 3a1c h LEU 664 Cb 0.03 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3a1c h LEU 664 CO -0.05 0.65 0.20 0.77 -0.34 0.00 0.00 178.44 179.67 3a1c h SER 665 N 1.09 0.80 -0.22 1.25 4.64 -0.69 -0.96 113.55 119.47 3a1c h SER 665 Ca 0.32 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 3a1c h SER 665 Cb -0.05 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 3a1c h SER 665 CO -0.09 0.77 0.08 0.03 -0.87 0.00 0.00 176.83 176.75 3a1c h ARG 666 N 0.78 0.33 -0.66 4.77 3.08 -0.89 -0.87 114.38 120.92 3a1c h ARG 666 Ca 0.18 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3a1c h ARG 666 Cb 0.25 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 3a1c h ARG 666 CO -0.01 0.40 0.35 -0.22 -1.07 0.00 0.00 179.97 179.42 3a1c h LYS 667 N 0.19 0.91 0.01 0.04 3.64 -1.00 -2.03 116.57 118.32 3a1c h LYS 667 Ca 0.07 -0.10 -0.21 0.00 -1.27 0.00 0.00 60.65 59.14 3a1c h LYS 667 Cb 0.21 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3a1c h LYS 667 CO -0.00 0.68 -1.00 1.79 -2.27 0.00 0.00 179.45 178.65 3a1c h THR 668 N 0.92 1.70 0.00 1.00 1.35 -0.99 -3.29 112.91 113.60 3a1c h THR 668 Ca 0.23 -3.38 -0.04 0.00 -0.55 0.00 0.00 66.41 62.67 3a1c h THR 668 Cb 0.05 2.84 -0.01 0.00 -1.73 0.00 0.00 68.15 69.30 3a1c h THR 668 CO -0.04 0.97 -0.46 0.24 -0.25 0.00 0.00 175.52 175.98 3a1c h MET 669 N 0.00 0.00 0.00 4.72 2.86 -1.07 -2.59 114.93 118.85 3a1c h MET 669 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3a1c h MET 669 Cb 1.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.42 3a1c h MET 669 CO 0.13 0.15 0.00 -1.13 1.06 0.00 0.00 176.91 177.13 3a1c n SER 670 N -3.03 0.55 -0.01 1.22 3.41 -0.77 -1.85 113.62 113.14 3a1c n SER 670 Ca 0.01 0.71 0.07 0.00 -0.26 0.00 0.00 58.87 59.41 3a1c n SER 670 Cb 0.61 -0.80 -0.12 0.00 -0.26 0.00 0.00 64.21 63.64 3a1c n SER 670 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a1c n LYS 671 N -2.19 0.54 0.00 4.33 4.76 -1.07 -5.11 118.16 119.41 3a1c n LYS 671 Ca -0.00 -0.14 0.11 0.00 -2.87 0.00 0.00 58.31 55.41 3a1c n LYS 671 Cb 0.10 -1.38 0.09 0.00 -1.84 0.00 0.00 35.03 32.00 3a1c n LYS 671 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14