#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpo n LEU 390 N 0.00 2.00 -3.75 1.34 4.77 -1.26 -4.95 117.00 115.15 3dpo n LEU 390 Ca 0.00 -0.85 -0.19 0.00 -0.03 0.00 0.00 56.01 54.94 3dpo n LEU 390 Cb 0.00 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 3dpo n LEU 390 CO 0.00 0.37 -0.36 -0.22 -1.33 0.00 0.00 177.39 175.84 3dpo s LEU 391 N -1.92 0.67 -0.04 2.23 0.20 -1.26 -5.13 118.68 113.44 3dpo s LEU 391 Ca 0.17 -0.00 0.03 0.00 0.69 0.00 0.00 54.13 55.02 3dpo s LEU 391 Cb 0.14 -0.24 0.00 0.00 -0.43 0.00 0.00 46.19 45.67 3dpo s LEU 391 CO 0.36 -0.18 -0.12 -0.76 -0.29 0.00 0.00 176.35 175.37 3dpo s LEU 392 N 1.66 1.79 -0.40 -0.68 1.43 -1.26 -5.11 118.68 116.11 3dpo s LEU 392 Ca -0.01 -0.24 -0.21 0.00 -1.03 0.00 0.00 54.13 52.63 3dpo s LEU 392 Cb -0.13 -0.70 0.01 0.00 0.03 0.00 0.00 46.19 45.41 3dpo s LEU 392 CO -0.03 0.08 0.67 -0.62 0.23 0.00 0.00 176.35 176.68 3dpo s ASP 393 N 0.23 6.40 0.17 2.29 2.15 -1.26 -5.03 116.67 121.62 3dpo s ASP 393 Ca -0.05 -0.03 0.04 0.00 0.43 0.00 0.00 52.55 52.94 3dpo s ASP 393 Cb -0.10 -2.34 -0.05 0.00 -0.30 0.00 0.00 42.92 40.13 3dpo s ASP 393 CO 0.01 -0.71 -0.07 0.68 -0.17 0.00 0.00 175.17 174.91 3dpo s VAL 394 N 2.86 1.12 -0.08 1.11 -7.23 -1.26 -1.44 120.40 115.48 3dpo s VAL 394 Ca 0.25 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.07 3dpo s VAL 394 Cb -0.14 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 3dpo s VAL 394 CO 0.17 -0.63 1.34 0.42 -0.31 0.00 0.00 175.10 176.10 3dpo s THR 395 N -3.36 4.02 -0.40 5.32 -4.23 -0.56 -4.89 115.64 111.54 3dpo s THR 395 Ca 0.20 1.31 0.26 0.00 -1.18 0.00 0.00 61.69 62.27 3dpo s THR 395 Cb 0.03 -3.84 0.33 0.00 1.34 0.00 0.00 72.50 70.37 3dpo s THR 395 CO 0.03 -0.06 1.73 1.55 -0.54 0.00 0.00 174.62 177.33 3dpo h PRO 396 N 8.13 0.00 -4.08 3.99 0.13 -1.93 0.59 132.00 138.83 3dpo h PRO 396 Ca -0.33 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.64 3dpo h PRO 396 Cb 1.15 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.09 3dpo h PRO 396 CO 0.93 0.00 -0.69 -0.51 -0.23 0.00 0.00 178.00 177.49 3dpo s LEU 397 N -5.71 2.32 0.58 1.56 1.43 -1.26 -4.37 118.68 113.23 3dpo s LEU 397 Ca 0.06 -0.65 -0.20 0.00 -1.03 0.00 0.00 54.13 52.31 3dpo s LEU 397 Cb 0.08 0.12 -0.04 0.00 0.03 0.00 0.00 46.19 46.38 3dpo s LEU 397 CO 0.61 -0.39 1.31 -1.20 0.23 0.00 0.00 176.35 176.91 3dpo n SER 398 N 1.14 2.35 -4.14 2.29 7.64 -1.26 -4.38 113.62 117.26 3dpo n SER 398 Ca -0.21 0.92 -0.25 0.00 1.01 0.00 0.00 58.87 60.34 3dpo n SER 398 Cb 0.57 -1.56 -0.16 0.00 -1.01 0.00 0.00 64.21 62.05 3dpo n SER 398 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3dpo s LEU 399 N -3.62 1.95 0.00 -3.43 1.43 0.17 -0.99 118.68 114.18 3dpo s LEU 399 Ca 0.76 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 3dpo s LEU 399 Cb -0.41 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 44.89 3dpo s LEU 399 CO 0.46 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.82 3dpo n GLY 400 N 2.98 1.81 3.23 -3.19 0.00 -0.50 -0.11 105.19 109.41 3dpo n GLY 400 Ca -0.17 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 3dpo n GLY 400 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dpo s ILE 401 N -2.55 0.91 0.05 -0.61 -4.36 -0.45 -0.46 121.20 113.73 3dpo s ILE 401 Ca 0.00 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.11 3dpo s ILE 401 Cb 0.00 -1.87 -0.05 0.00 1.25 0.00 0.00 42.46 41.79 3dpo s ILE 401 CO 0.00 -0.71 0.87 -0.70 0.24 0.00 0.00 174.94 174.64 3dpo s GLU 402 N -3.81 4.58 0.46 0.37 2.12 -0.87 -0.95 118.70 120.60 3dpo s GLU 402 Ca 0.17 1.25 0.05 0.00 0.36 0.00 0.00 54.97 56.81 3dpo s GLU 402 Cb 0.04 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 3dpo s GLU 402 CO -0.00 0.18 0.13 0.95 -0.54 0.00 0.00 175.26 175.98 3dpo s THR 403 N 0.23 1.87 -0.02 -1.70 -4.23 0.12 -4.71 115.64 107.19 3dpo s THR 403 Ca 0.44 -1.80 -0.37 0.00 -1.18 0.00 0.00 61.69 58.77 3dpo s THR 403 Cb -0.21 -2.67 -0.16 0.00 1.34 0.00 0.00 72.50 70.80 3dpo s THR 403 CO 0.26 0.00 1.51 0.80 -0.54 0.00 0.00 174.62 176.65 3dpo n MET 404 N -1.26 1.31 -0.08 3.99 1.56 -1.26 -1.75 117.12 119.62 3dpo n MET 404 Ca -0.06 0.47 0.00 0.00 -0.27 0.00 0.00 57.70 57.84 3dpo n MET 404 Cb 0.66 -2.15 0.00 0.00 2.15 0.00 0.00 33.22 33.87 3dpo n MET 404 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3dpo n GLY 405 N 3.19 0.77 1.20 -5.12 0.00 -1.26 -4.26 105.19 99.71 3dpo n GLY 405 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3dpo n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dpo n GLY 406 N -2.04 0.94 3.79 -0.02 0.00 -0.72 -4.98 105.19 102.15 3dpo n GLY 406 Ca 0.00 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 3dpo n GLY 406 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dpo s VAL 407 N -2.25 4.90 -0.23 1.61 1.01 -0.96 -1.08 120.40 123.41 3dpo s VAL 407 Ca 0.00 -0.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.67 3dpo s VAL 407 Cb 0.00 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 3dpo s VAL 407 CO 0.00 0.56 0.76 -0.32 0.00 0.00 0.00 175.10 176.10 3dpo s MET 408 N -1.11 4.19 -0.19 2.72 1.75 -0.27 0.10 119.30 126.49 3dpo s MET 408 Ca 0.16 0.82 -0.02 0.00 -1.25 0.00 0.00 55.69 55.40 3dpo s MET 408 Cb -0.12 -3.63 -0.00 0.00 2.84 0.00 0.00 34.83 33.93 3dpo s MET 408 CO 0.05 -0.43 -0.11 0.99 -0.65 0.00 0.00 175.02 174.88 3dpo s THR 409 N 2.53 2.94 0.03 10.11 2.01 -0.12 -4.84 115.64 128.29 3dpo s THR 409 Ca 0.33 -0.65 -0.27 0.00 0.31 0.00 0.00 61.69 61.40 3dpo s THR 409 Cb -0.16 -2.29 -0.05 0.00 0.01 0.00 0.00 72.50 70.02 3dpo s THR 409 CO 0.09 0.48 0.87 -0.89 -0.69 0.00 0.00 174.62 174.47 3dpo s THR 410 N 1.19 4.76 -0.18 -0.82 2.01 -1.26 -1.34 115.64 120.00 3dpo s THR 410 Ca 0.02 1.83 0.05 0.00 0.31 0.00 0.00 61.69 63.91 3dpo s THR 410 Cb -0.14 -4.21 -0.15 0.00 0.01 0.00 0.00 72.50 68.01 3dpo s THR 410 CO -0.04 0.28 -0.10 0.18 -0.69 0.00 0.00 174.62 174.25 3dpo n LEU 411 N 3.26 2.00 -4.07 4.42 4.32 0.85 -4.93 117.00 122.86 3dpo n LEU 411 Ca 0.01 -0.07 -0.31 0.00 -0.02 0.00 0.00 56.01 55.63 3dpo n LEU 411 Cb 0.50 -0.33 -0.16 0.00 -1.62 0.00 0.00 43.42 41.81 3dpo n LEU 411 CO 0.49 0.68 -0.50 -0.63 -1.22 0.00 0.00 177.39 176.21 3dpo s ILE 412 N -2.38 1.73 0.55 -0.08 1.01 -0.55 -4.80 121.20 116.69 3dpo s ILE 412 Ca -0.20 -0.75 -0.20 0.00 0.00 0.00 0.00 60.65 59.51 3dpo s ILE 412 Cb 0.06 -1.59 -0.06 0.00 0.01 0.00 0.00 42.46 40.88 3dpo s ILE 412 CO 0.50 0.49 1.14 0.00 0.00 0.00 0.00 174.94 177.07 3dpo s ALA 413 N 1.29 2.69 0.61 9.38 0.00 -1.26 -0.66 121.76 133.81 3dpo s ALA 413 Ca 0.02 0.86 -0.19 0.00 0.00 0.00 0.00 51.96 52.65 3dpo s ALA 413 Cb -0.13 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 3dpo s ALA 413 CO -0.09 -0.83 1.23 0.36 0.00 0.00 0.00 175.76 176.43 3dpo n LYS 414 N -1.30 1.20 -1.82 0.00 2.85 -1.26 -2.65 118.16 115.18 3dpo n LYS 414 Ca 0.12 0.46 -0.16 0.00 -1.05 0.00 0.00 58.31 57.68 3dpo n LYS 414 Cb 0.51 -2.45 -0.04 0.00 -0.65 0.00 0.00 35.03 32.39 3dpo n LYS 414 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3dpo n ASN 415 N -1.37 -4.89 -4.72 -5.58 5.03 0.21 -4.89 115.26 99.04 3dpo n ASN 415 Ca 0.14 0.23 -0.42 0.00 0.87 0.00 0.00 54.58 55.40 3dpo n ASN 415 Cb 0.47 -3.89 -0.03 0.00 -1.02 0.00 0.00 39.78 35.30 3dpo n ASN 415 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3dpo s THR 416 N -2.69 4.42 0.30 3.41 2.01 -1.09 -4.79 115.64 117.22 3dpo s THR 416 Ca 0.00 1.79 -0.29 0.00 0.31 0.00 0.00 61.69 63.50 3dpo s THR 416 Cb 0.00 -4.15 -0.10 0.00 0.01 0.00 0.00 72.50 68.26 3dpo s THR 416 CO 0.00 0.17 1.43 0.42 -0.69 0.00 0.00 174.62 175.95 3dpo s THR 417 N 0.79 2.48 0.14 -0.82 -4.23 -1.26 -1.50 115.64 111.25 3dpo s THR 417 Ca 0.54 0.44 -0.06 0.00 -1.18 0.00 0.00 61.69 61.43 3dpo s THR 417 Cb -0.25 -3.28 -0.06 0.00 1.34 0.00 0.00 72.50 70.25 3dpo s THR 417 CO 0.29 0.09 0.40 0.27 -0.54 0.00 0.00 174.62 175.13 3dpo s ILE 418 N -0.55 5.13 0.62 2.99 -5.25 -0.52 -4.17 121.20 119.44 3dpo s ILE 418 Ca 0.56 0.14 -0.11 0.00 -0.99 0.00 0.00 60.65 60.25 3dpo s ILE 418 Cb -0.43 -3.62 -0.04 0.00 2.95 0.00 0.00 42.46 41.32 3dpo s ILE 418 CO 0.50 0.06 1.03 -2.16 -1.79 0.00 0.00 174.94 172.58 3dpo s PRO 419 N -2.57 3.56 0.16 0.37 0.04 -1.26 -4.90 135.00 130.39 3dpo s PRO 419 Ca 0.41 0.79 -0.22 0.00 0.04 0.00 0.00 61.00 62.02 3dpo s PRO 419 Cb -0.12 -2.07 0.06 0.00 0.04 0.00 0.00 34.50 32.40 3dpo s PRO 419 CO 0.23 -0.60 0.58 -0.08 0.04 0.00 0.00 177.00 177.16 3dpo s THR 420 N -3.11 0.01 -0.21 1.26 -1.32 -0.53 -5.04 115.64 106.70 3dpo s THR 420 Ca 0.56 -0.18 -0.14 0.00 -1.21 0.00 0.00 61.69 60.72 3dpo s THR 420 Cb -0.11 -1.11 0.06 0.00 -1.51 0.00 0.00 72.50 69.83 3dpo s THR 420 CO 0.52 -0.05 0.53 -0.75 -2.21 0.00 0.00 174.62 172.66 3dpo s LYS 421 N -3.77 0.56 -0.03 7.08 2.20 -1.26 -0.44 119.74 124.08 3dpo s LYS 421 Ca 0.02 0.91 -0.12 0.00 -0.36 0.00 0.00 55.97 56.42 3dpo s LYS 421 Cb -0.01 0.13 0.02 0.00 -1.51 0.00 0.00 37.83 36.46 3dpo s LYS 421 CO -0.11 -0.13 0.26 -1.58 -0.36 0.00 0.00 175.35 173.43 3dpo s HIS 422 N 1.11 -0.14 0.05 4.03 2.46 -0.07 -5.01 115.29 117.72 3dpo s HIS 422 Ca -0.07 0.24 0.06 0.00 0.47 0.00 0.00 55.06 55.76 3dpo s HIS 422 Cb -0.06 0.06 -0.02 0.00 -0.13 0.00 0.00 32.58 32.43 3dpo s HIS 422 CO -0.11 -0.32 -0.16 -1.12 -2.47 0.00 0.00 174.74 170.56 3dpo s SER 423 N -1.09 1.87 -0.17 9.88 0.01 -1.26 -0.63 113.70 122.30 3dpo s SER 423 Ca -0.12 -0.49 -0.18 0.00 1.31 0.00 0.00 55.95 56.47 3dpo s SER 423 Cb -0.05 -0.12 0.05 0.00 0.21 0.00 0.00 66.02 66.10 3dpo s SER 423 CO 0.03 0.05 0.49 -1.58 0.41 0.00 0.00 173.24 172.64 3dpo s GLN 424 N -1.23 0.60 -0.04 12.44 0.74 -0.04 -5.01 119.66 127.13 3dpo s GLN 424 Ca 0.03 0.61 -0.21 0.00 0.05 0.00 0.00 55.36 55.84 3dpo s GLN 424 Cb -0.08 0.29 -0.05 0.00 1.10 0.00 0.00 33.01 34.27 3dpo s GLN 424 CO 0.02 -0.09 0.61 0.08 -0.55 0.00 0.00 175.29 175.36 3dpo s VAL 425 N 0.10 5.00 0.39 1.34 1.01 -1.26 -1.15 120.40 125.83 3dpo s VAL 425 Ca -0.01 1.26 0.06 0.00 0.00 0.00 0.00 61.98 63.28 3dpo s VAL 425 Cb -0.03 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 3dpo s VAL 425 CO 0.01 0.35 0.02 -0.36 0.00 0.00 0.00 175.10 175.13 3dpo s PHE 426 N 0.25 2.35 0.00 5.22 0.40 0.12 -4.94 117.98 121.38 3dpo s PHE 426 Ca 0.32 -0.76 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 3dpo s PHE 426 Cb -0.18 -1.65 0.00 0.00 0.51 0.00 0.00 43.02 41.71 3dpo s PHE 426 CO 0.16 0.33 0.00 0.45 0.70 0.00 0.00 175.22 176.86 3dpo n SER 427 N -0.92 0.11 -4.84 1.36 2.88 -1.26 0.11 113.62 111.06 3dpo n SER 427 Ca -0.05 -1.00 -0.36 0.00 -1.33 0.00 0.00 58.87 56.13 3dpo n SER 427 Cb 0.67 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.07 3dpo n SER 427 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3dpo s THR 428 N -1.94 4.84 0.14 2.46 -4.23 -1.26 -4.90 115.64 110.74 3dpo s THR 428 Ca 0.00 0.92 -0.08 0.00 -1.18 0.00 0.00 61.69 61.35 3dpo s THR 428 Cb 0.00 -3.77 -0.12 0.00 1.34 0.00 0.00 72.50 69.95 3dpo s THR 428 CO 0.00 0.33 1.38 0.00 -0.54 0.00 0.00 174.62 175.79 3dpo h ALA 429 N 3.83 0.46 -2.92 3.99 0.00 -1.96 -2.26 119.26 120.40 3dpo h ALA 429 Ca -0.49 -0.59 -0.47 0.00 0.00 0.00 0.00 54.91 53.36 3dpo h ALA 429 Cb 1.20 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.77 3dpo h ALA 429 CO 0.65 0.71 -0.77 -1.21 0.00 0.00 0.00 179.25 178.63 3dpo s GLU 430 N -3.76 1.15 0.29 0.00 0.41 -1.26 -4.85 118.70 110.69 3dpo s GLU 430 Ca -0.08 -1.32 -0.29 0.00 -0.41 0.00 0.00 54.97 52.86 3dpo s GLU 430 Cb 0.10 -1.13 -0.13 0.00 -1.78 0.00 0.00 34.13 31.19 3dpo s GLU 430 CO 0.88 0.23 1.33 -0.25 -0.49 0.00 0.00 175.26 176.95 3dpo n ASP 431 N 0.42 2.68 -0.90 -0.19 8.00 -1.26 -2.38 116.55 122.93 3dpo n ASP 431 Ca -0.14 1.18 -0.12 0.00 0.71 0.00 0.00 54.79 56.42 3dpo n ASP 431 Cb 0.57 -1.45 -0.05 0.00 -0.02 0.00 0.00 41.12 40.17 3dpo n ASP 431 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dpo n ASN 432 N 1.40 -5.34 -4.70 -2.24 3.02 0.28 -4.86 115.26 102.82 3dpo n ASN 432 Ca 0.08 0.29 -0.43 0.00 -0.03 0.00 0.00 54.58 54.48 3dpo n ASN 432 Cb 0.34 -3.87 -0.03 0.00 -0.61 0.00 0.00 39.78 35.60 3dpo n ASN 432 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3dpo n GLN 433 N -1.42 2.59 0.01 3.52 7.27 -1.00 -4.81 117.38 123.54 3dpo n GLN 433 Ca -0.12 0.93 0.11 0.00 0.07 0.00 0.00 57.00 57.99 3dpo n GLN 433 Cb 0.54 -2.76 -0.04 0.00 2.41 0.00 0.00 30.24 30.39 3dpo n GLN 433 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 3dpo n SER 434 N 4.01 0.72 -3.75 1.69 3.41 -1.26 -4.74 113.62 113.71 3dpo n SER 434 Ca 0.17 -0.59 -0.13 0.00 -0.26 0.00 0.00 58.87 58.05 3dpo n SER 434 Cb 0.33 0.95 -0.08 0.00 -0.26 0.00 0.00 64.21 65.15 3dpo n SER 434 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dpo s ALA 435 N -3.10 -0.78 0.09 7.33 0.00 -1.26 -0.68 121.76 123.35 3dpo s ALA 435 Ca 0.06 0.26 0.08 0.00 0.00 0.00 0.00 51.96 52.36 3dpo s ALA 435 Cb 0.16 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 3dpo s ALA 435 CO 0.83 -0.31 -0.21 0.14 0.00 0.00 0.00 175.76 176.21 3dpo s VAL 436 N -1.67 1.74 -0.16 0.00 -7.23 0.06 -4.98 120.40 108.15 3dpo s VAL 436 Ca -0.11 -1.46 -0.07 0.00 -1.81 0.00 0.00 61.98 58.53 3dpo s VAL 436 Cb -0.04 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 3dpo s VAL 436 CO 0.02 0.03 0.08 -0.89 -0.31 0.00 0.00 175.10 174.03 3dpo s THR 437 N -1.05 4.96 -0.50 5.32 2.01 -1.26 -0.34 115.64 124.78 3dpo s THR 437 Ca 0.07 0.02 -0.12 0.00 0.31 0.00 0.00 61.69 61.97 3dpo s THR 437 Cb -0.10 -3.21 0.12 0.00 0.01 0.00 0.00 72.50 69.32 3dpo s THR 437 CO 0.04 0.50 0.42 -0.63 -0.69 0.00 0.00 174.62 174.25 3dpo s ILE 438 N 0.01 4.70 -0.34 1.82 -1.09 0.13 -4.95 121.20 121.47 3dpo s ILE 438 Ca 0.07 -1.62 -0.21 0.00 -2.23 0.00 0.00 60.65 56.66 3dpo s ILE 438 Cb -0.12 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 3dpo s ILE 438 CO 0.01 -0.80 0.65 -1.00 -1.23 0.00 0.00 174.94 172.56 3dpo s HIS 439 N 1.48 3.16 -0.14 3.97 3.76 -1.26 -1.71 115.29 124.55 3dpo s HIS 439 Ca 0.04 0.43 -0.19 0.00 -0.15 0.00 0.00 55.06 55.19 3dpo s HIS 439 Cb -0.28 -3.13 -0.04 0.00 1.11 0.00 0.00 32.58 30.24 3dpo s HIS 439 CO 0.01 -0.60 0.51 0.08 -0.85 0.00 0.00 174.74 173.89 3dpo s VAL 440 N 2.73 5.15 0.08 -0.90 1.01 0.23 -2.04 120.40 126.65 3dpo s VAL 440 Ca 0.25 1.00 0.07 0.00 0.00 0.00 0.00 61.98 63.31 3dpo s VAL 440 Cb -0.14 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3dpo s VAL 440 CO 0.14 0.27 -0.18 -0.76 0.00 0.00 0.00 175.10 174.57 3dpo s LEU 441 N 0.98 2.27 -0.11 3.92 1.43 0.39 -0.74 118.68 126.82 3dpo s LEU 441 Ca 0.27 -0.63 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 3dpo s LEU 441 Cb -0.15 -0.75 0.01 0.00 0.03 0.00 0.00 46.19 45.32 3dpo s LEU 441 CO 0.11 0.03 -0.16 -1.58 0.23 0.00 0.00 176.35 174.97 3dpo s GLN 442 N -1.71 2.31 0.00 1.70 0.74 0.11 -1.41 119.66 121.40 3dpo s GLN 442 Ca 0.03 -0.60 0.00 0.00 0.05 0.00 0.00 55.36 54.85 3dpo s GLN 442 Cb -0.10 -1.93 0.00 0.00 1.10 0.00 0.00 33.01 32.08 3dpo s GLN 442 CO 0.03 -0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.14 3dpo n GLY 443 N 4.12 0.82 0.17 2.59 0.00 -0.16 -0.17 105.19 112.57 3dpo n GLY 443 Ca -0.19 -1.69 0.04 0.00 0.00 0.00 0.00 46.02 44.17 3dpo n GLY 443 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dpo n GLU 444 N -1.65 2.35 -2.85 1.61 -0.58 -1.26 -4.09 120.64 114.17 3dpo n GLU 444 Ca 0.00 -0.51 -0.40 0.00 -0.42 0.00 0.00 57.16 55.83 3dpo n GLU 444 Cb 0.00 -1.01 -0.05 0.00 -0.57 0.00 0.00 31.44 29.80 3dpo n GLU 444 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3dpo s ARG 445 N -1.23 4.67 0.44 3.49 1.81 -1.26 -4.93 118.95 121.94 3dpo s ARG 445 Ca 0.07 1.31 0.22 0.00 -1.72 0.00 0.00 55.73 55.61 3dpo s ARG 445 Cb 0.07 -3.31 1.02 0.00 -0.45 0.00 0.00 34.95 32.27 3dpo s ARG 445 CO 0.21 0.41 1.90 0.87 -0.68 0.00 0.00 175.30 178.02 3dpo h LYS 446 N 4.83 0.00 -6.08 3.54 1.79 -1.91 -3.41 116.57 115.33 3dpo h LYS 446 Ca -0.45 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.43 3dpo h LYS 446 Cb 1.21 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.77 3dpo h LYS 446 CO 0.69 0.25 0.63 1.03 -1.08 0.00 0.00 179.45 180.97 3dpo s ARG 447 N -3.96 3.94 0.35 3.15 0.52 -1.26 -1.11 118.95 120.57 3dpo s ARG 447 Ca -0.02 0.73 0.08 0.00 -0.52 0.00 0.00 55.73 56.00 3dpo s ARG 447 Cb 0.12 -3.77 0.79 0.00 0.52 0.00 0.00 34.95 32.62 3dpo s ARG 447 CO 0.65 -0.87 1.88 0.00 0.02 0.00 0.00 175.30 176.98 3dpo h ALA 448 N 8.28 1.80 0.00 2.13 0.00 -1.33 -1.28 119.26 128.86 3dpo h ALA 448 Ca -0.23 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3dpo h ALA 448 Cb 1.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3dpo h ALA 448 CO 0.97 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 180.21 3dpo h ALA 449 N 1.59 1.00 -0.17 0.00 0.00 -1.92 -1.99 119.26 117.77 3dpo h ALA 449 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3dpo h ALA 449 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3dpo h ALA 449 CO -0.19 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.81 3dpo n ASP 450 N -2.98 2.71 -4.92 0.00 8.00 -0.48 -4.89 116.55 113.98 3dpo n ASP 450 Ca -0.00 -1.88 -0.19 0.00 0.71 0.00 0.00 54.79 53.43 3dpo n ASP 450 Cb 0.23 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.21 3dpo n ASP 450 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3dpo s ASN 451 N -1.75 5.32 -0.19 -2.24 0.01 -0.75 -4.84 114.94 110.49 3dpo s ASN 451 Ca 0.34 -0.59 -0.22 0.00 -0.71 0.00 0.00 52.86 51.68 3dpo s ASN 451 Cb 0.21 -0.67 -0.02 0.00 0.41 0.00 0.00 41.25 41.17 3dpo s ASN 451 CO 0.30 -0.65 0.66 -0.75 -1.51 0.00 0.00 177.10 175.16 3dpo s LYS 452 N -4.19 4.23 -0.02 -0.60 2.47 0.77 -4.87 119.74 117.54 3dpo s LYS 452 Ca 0.50 0.68 -0.30 0.00 -1.56 0.00 0.00 55.97 55.29 3dpo s LYS 452 Cb -0.06 -3.57 -0.04 0.00 -1.46 0.00 0.00 37.83 32.70 3dpo s LYS 452 CO 0.30 -0.24 1.12 -1.12 0.16 0.00 0.00 175.35 175.57 3dpo s SER 453 N 1.17 7.16 -0.01 1.43 0.01 -1.26 0.08 113.70 122.27 3dpo s SER 453 Ca 0.30 1.80 0.15 0.00 1.31 0.00 0.00 55.95 59.52 3dpo s SER 453 Cb -0.16 -2.57 -0.21 0.00 0.21 0.00 0.00 66.02 63.30 3dpo s SER 453 CO 0.11 -0.46 0.46 0.18 0.41 0.00 0.00 173.24 173.94 3dpo n LEU 454 N 4.52 0.29 0.00 2.44 4.77 0.08 -4.85 117.00 124.24 3dpo n LEU 454 Ca 0.09 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3dpo n LEU 454 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3dpo n LEU 454 CO 0.54 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3dpo n GLY 455 N 1.51 2.79 3.20 -0.72 0.00 -1.22 -4.98 105.19 105.77 3dpo n GLY 455 Ca -0.01 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 3dpo n GLY 455 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dpo s GLN 456 N -2.10 0.65 0.09 1.61 -2.07 -1.26 -0.60 119.66 115.97 3dpo s GLN 456 Ca 0.00 -0.39 -0.13 0.00 -1.82 0.00 0.00 55.36 53.02 3dpo s GLN 456 Cb 0.00 0.28 0.02 0.00 -1.09 0.00 0.00 33.01 32.22 3dpo s GLN 456 CO 0.00 -0.18 0.30 -0.59 -1.32 0.00 0.00 175.29 173.50 3dpo s PHE 457 N -1.81 -0.06 0.08 9.60 -0.71 -0.69 -5.00 117.98 119.39 3dpo s PHE 457 Ca -0.11 -0.23 -0.00 0.00 -1.04 0.00 0.00 56.93 55.55 3dpo s PHE 457 Cb -0.04 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 3dpo s PHE 457 CO 0.01 -0.59 0.24 -0.80 -1.34 0.00 0.00 175.22 172.74 3dpo s ASN 458 N -2.57 6.38 -0.17 1.98 0.02 -1.26 0.19 114.94 119.50 3dpo s ASN 458 Ca 0.01 0.31 0.01 0.00 -1.02 0.00 0.00 52.86 52.16 3dpo s ASN 458 Cb 0.02 -1.97 0.03 0.00 0.02 0.00 0.00 41.25 39.34 3dpo s ASN 458 CO -0.09 0.14 -0.16 -0.22 0.02 0.00 0.00 177.10 176.79 3dpo s LEU 459 N -2.61 1.99 0.00 0.60 2.96 0.54 -4.85 118.68 117.31 3dpo s LEU 459 Ca 0.36 -0.63 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 3dpo s LEU 459 Cb -0.13 -1.31 0.04 0.00 0.50 0.00 0.00 46.19 45.29 3dpo s LEU 459 CO 0.28 -0.05 0.33 0.47 -1.32 0.00 0.00 176.35 176.05 3dpo n ASP 460 N 4.69 1.80 -0.94 3.68 8.00 -1.26 -0.76 116.55 131.77 3dpo n ASP 460 Ca -0.18 -2.07 -0.11 0.00 0.71 0.00 0.00 54.79 53.13 3dpo n ASP 460 Cb 0.49 -0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.45 3dpo n ASP 460 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dpo n GLY 461 N 0.90 1.05 3.68 0.44 0.00 -0.84 -4.91 105.19 105.51 3dpo n GLY 461 Ca 0.02 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 3dpo n GLY 461 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dpo s ILE 462 N -2.44 3.77 0.61 -0.61 1.01 0.14 -4.87 121.20 118.81 3dpo s ILE 462 Ca 0.00 1.08 -0.17 0.00 0.00 0.00 0.00 60.65 61.55 3dpo s ILE 462 Cb 0.00 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 3dpo s ILE 462 CO 0.00 -0.04 1.15 0.20 0.00 0.00 0.00 174.94 176.25 3dpo s ASN 463 N 2.21 5.28 0.14 3.58 0.02 -1.26 -4.39 114.94 120.52 3dpo s ASN 463 Ca 0.64 2.18 -0.34 0.00 -1.02 0.00 0.00 52.86 54.32 3dpo s ASN 463 Cb -0.30 -2.58 -0.16 0.00 0.02 0.00 0.00 41.25 38.24 3dpo s ASN 463 CO 0.25 -1.52 1.33 -2.65 0.02 0.00 0.00 177.10 174.53 3dpo n PRO 464 N -1.85 1.42 -3.57 -0.60 -0.02 -1.26 -4.87 135.00 124.25 3dpo n PRO 464 Ca 0.12 0.51 -0.10 0.00 -2.02 0.00 0.00 63.50 62.01 3dpo n PRO 464 Cb 0.51 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 3dpo n PRO 464 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dpo s ALA 465 N 0.28 -1.92 0.62 3.55 0.00 -1.26 -4.96 121.76 118.07 3dpo s ALA 465 Ca 0.78 1.51 -0.18 0.00 0.00 0.00 0.00 51.96 54.07 3dpo s ALA 465 Cb -0.84 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 3dpo s ALA 465 CO 0.47 -0.37 1.06 -2.30 0.00 0.00 0.00 175.76 174.62 3dpo n PRO 466 N 0.58 0.93 -1.63 0.00 -0.02 -1.26 -0.56 135.00 133.04 3dpo n PRO 466 Ca -0.10 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.34 3dpo n PRO 466 Cb 0.58 -2.28 0.02 0.00 -0.02 0.00 0.00 33.50 31.80 3dpo n PRO 466 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3dpo n ARG 467 N -1.33 1.41 0.00 -0.52 1.85 -1.26 -2.18 116.66 114.63 3dpo n ARG 467 Ca 0.15 0.51 0.00 0.00 -1.00 0.00 0.00 57.85 57.50 3dpo n ARG 467 Cb 0.48 -2.13 0.00 0.00 -1.05 0.00 0.00 32.46 29.75 3dpo n ARG 467 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3dpo n GLY 468 N 1.12 2.12 0.14 2.89 0.00 -0.85 -4.88 105.19 105.72 3dpo n GLY 468 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 3dpo n GLY 468 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dpo n MET 469 N -2.00 0.74 -1.47 1.61 2.81 -0.93 -4.83 117.12 113.05 3dpo n MET 469 Ca 0.00 0.30 -0.36 0.00 -1.81 0.00 0.00 57.70 55.83 3dpo n MET 469 Cb 0.00 -1.71 0.09 0.00 -0.71 0.00 0.00 33.22 30.89 3dpo n MET 469 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 3dpo n PRO 470 N -3.60 0.72 -3.84 0.03 -0.02 -1.26 -4.97 135.00 122.06 3dpo n PRO 470 Ca -0.32 0.31 -0.35 0.00 -2.02 0.00 0.00 63.50 61.12 3dpo n PRO 470 Cb 1.00 -2.48 -0.13 0.00 -0.02 0.00 0.00 33.50 31.88 3dpo n PRO 470 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3dpo s GLN 471 N -3.65 2.14 -0.43 -0.52 -0.21 -1.26 -4.26 119.66 111.46 3dpo s GLN 471 Ca 0.79 -1.60 -0.12 0.00 0.02 0.00 0.00 55.36 54.45 3dpo s GLN 471 Cb -0.34 -3.40 0.07 0.00 1.00 0.00 0.00 33.01 30.33 3dpo s GLN 471 CO 0.45 -0.88 0.30 0.42 -2.12 0.00 0.00 175.29 173.45 3dpo s ILE 472 N 1.17 4.63 -0.31 1.08 -1.09 0.12 -1.65 121.20 125.15 3dpo s ILE 472 Ca 0.03 -1.19 -0.23 0.00 -2.23 0.00 0.00 60.65 57.03 3dpo s ILE 472 Cb -0.21 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 36.90 3dpo s ILE 472 CO -0.03 -0.48 0.79 -0.70 -1.23 0.00 0.00 174.94 173.29 3dpo s GLU 473 N 1.52 3.96 -0.18 2.79 2.12 0.27 0.11 118.70 129.30 3dpo s GLU 473 Ca 0.03 0.59 -0.07 0.00 0.36 0.00 0.00 54.97 55.88 3dpo s GLU 473 Cb -0.23 -3.73 -0.04 0.00 0.26 0.00 0.00 34.13 30.39 3dpo s GLU 473 CO 0.04 -0.68 0.07 0.08 -0.54 0.00 0.00 175.26 174.23 3dpo s VAL 474 N 2.97 4.84 -0.08 3.70 1.01 -0.30 -0.88 120.40 131.66 3dpo s VAL 474 Ca 0.32 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.31 3dpo s VAL 474 Cb -0.14 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.07 3dpo s VAL 474 CO 0.13 0.47 -0.16 -0.89 0.00 0.00 0.00 175.10 174.64 3dpo s THR 475 N 0.26 1.45 -0.19 3.92 2.01 0.13 -0.86 115.64 122.37 3dpo s THR 475 Ca 0.04 -0.67 -0.02 0.00 0.31 0.00 0.00 61.69 61.35 3dpo s THR 475 Cb -0.12 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 3dpo s THR 475 CO 0.00 0.42 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.91 3dpo s PHE 476 N 0.53 2.90 -0.16 4.92 0.40 0.19 -0.93 117.98 125.83 3dpo s PHE 476 Ca -0.15 -0.90 -0.00 0.00 -0.60 0.00 0.00 56.93 55.28 3dpo s PHE 476 Cb -0.16 -2.00 0.04 0.00 0.51 0.00 0.00 43.02 41.40 3dpo s PHE 476 CO 0.05 -0.45 -0.07 0.34 0.70 0.00 0.00 175.22 175.79 3dpo s ASP 477 N 1.08 2.79 -0.24 1.36 3.68 0.69 -0.89 116.67 125.14 3dpo s ASP 477 Ca 0.00 -0.62 -0.07 0.00 2.13 0.00 0.00 52.55 54.00 3dpo s ASP 477 Cb -0.15 -0.97 -0.03 0.00 -1.45 0.00 0.00 42.92 40.33 3dpo s ASP 477 CO -0.01 -0.16 0.06 -0.63 0.13 0.00 0.00 175.17 174.55 3dpo s ILE 478 N 1.60 4.24 0.79 4.11 1.01 0.42 0.20 121.20 133.56 3dpo s ILE 478 Ca 0.02 -0.20 -0.06 0.00 0.00 0.00 0.00 60.65 60.40 3dpo s ILE 478 Cb -0.15 -2.97 0.14 0.00 0.01 0.00 0.00 42.46 39.49 3dpo s ILE 478 CO -0.08 0.36 1.09 1.51 0.00 0.00 0.00 174.94 177.82 3dpo s ASP 479 N 1.48 4.07 0.53 3.58 1.47 -0.97 -1.45 116.67 125.38 3dpo s ASP 479 Ca 0.06 -0.04 0.35 0.00 1.18 0.00 0.00 52.55 54.10 3dpo s ASP 479 Cb -0.15 -0.30 1.68 0.00 -0.34 0.00 0.00 42.92 43.81 3dpo s ASP 479 CO 0.03 -2.06 2.05 0.00 0.68 0.00 0.00 175.17 175.86 3dpo h ALA 480 N -0.86 1.00 -0.01 2.11 0.00 -1.94 0.15 119.26 119.71 3dpo h ALA 480 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3dpo h ALA 480 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3dpo h ALA 480 CO 0.43 0.00 -0.15 -0.25 0.00 0.00 0.00 179.25 179.28 3dpo n ASP 481 N -2.87 1.15 0.00 0.00 8.00 -1.26 -4.94 116.55 116.64 3dpo n ASP 481 Ca -0.01 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.39 3dpo n ASP 481 Cb 0.18 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 3dpo n ASP 481 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dpo n GLY 482 N 1.27 0.60 3.71 0.44 0.00 0.53 -4.74 105.19 107.00 3dpo n GLY 482 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3dpo n GLY 482 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dpo s ILE 483 N -2.28 4.61 -0.24 -0.61 1.01 -1.26 -3.72 121.20 118.70 3dpo s ILE 483 Ca 0.00 1.88 -0.11 0.00 0.00 0.00 0.00 60.65 62.43 3dpo s ILE 483 Cb 0.00 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 3dpo s ILE 483 CO 0.00 0.15 0.16 -0.22 0.00 0.00 0.00 174.94 175.04 3dpo s LEU 484 N 0.98 4.11 -0.19 2.97 2.96 0.02 -2.30 118.68 127.23 3dpo s LEU 484 Ca 0.54 0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 54.51 3dpo s LEU 484 Cb -0.24 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.32 3dpo s LEU 484 CO 0.28 0.06 -0.01 -1.00 -1.32 0.00 0.00 176.35 174.36 3dpo s HIS 485 N 1.09 3.03 -0.11 5.38 3.76 0.13 -0.26 115.29 128.31 3dpo s HIS 485 Ca 0.08 -0.47 0.03 0.00 -0.15 0.00 0.00 55.06 54.54 3dpo s HIS 485 Cb -0.14 -2.06 0.01 0.00 1.11 0.00 0.00 32.58 31.50 3dpo s HIS 485 CO 0.05 -0.23 -0.19 0.08 -0.85 0.00 0.00 174.74 173.60 3dpo s VAL 486 N 0.94 1.71 0.10 -0.90 1.01 -0.22 -0.22 120.40 122.81 3dpo s VAL 486 Ca 0.01 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.26 3dpo s VAL 486 Cb -0.14 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3dpo s VAL 486 CO 0.02 0.48 -0.15 -0.94 0.00 0.00 0.00 175.10 174.51 3dpo s SER 487 N 0.73 1.94 -0.04 3.32 1.04 -0.11 -0.60 113.70 119.99 3dpo s SER 487 Ca -0.11 -0.71 0.02 0.00 0.48 0.00 0.00 55.95 55.63 3dpo s SER 487 Cb -0.16 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 65.90 3dpo s SER 487 CO 0.02 -0.09 -0.10 0.00 0.98 0.00 0.00 173.24 174.05 3dpo s ALA 488 N -1.64 0.99 -0.05 5.32 0.00 0.00 -0.69 121.76 125.68 3dpo s ALA 488 Ca 0.04 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.67 3dpo s ALA 488 Cb -0.08 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.65 3dpo s ALA 488 CO 0.03 0.13 -0.09 0.21 0.00 0.00 0.00 175.76 176.04 3dpo s LYS 489 N 0.38 1.27 -0.36 0.00 2.20 -0.06 -1.29 119.74 121.88 3dpo s LYS 489 Ca -0.07 -0.29 -0.21 0.00 -0.36 0.00 0.00 55.97 55.04 3dpo s LYS 489 Cb -0.11 -1.12 0.00 0.00 -1.51 0.00 0.00 37.83 35.10 3dpo s LYS 489 CO 0.01 0.01 0.67 0.34 -0.36 0.00 0.00 175.35 176.02 3dpo s ASP 490 N 0.65 6.45 0.58 1.43 -1.08 0.45 -0.56 116.67 124.59 3dpo s ASP 490 Ca -0.12 0.17 0.35 0.00 -0.52 0.00 0.00 52.55 52.44 3dpo s ASP 490 Cb -0.14 -2.34 1.70 0.00 -1.46 0.00 0.00 42.92 40.68 3dpo s ASP 490 CO 0.02 -0.63 2.12 0.11 0.52 0.00 0.00 175.17 177.31 3dpo h LYS 491 N 8.48 0.00 0.03 4.34 1.57 -1.62 0.36 116.57 129.73 3dpo h LYS 491 Ca -0.26 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.29 3dpo h LYS 491 Cb 1.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 3dpo h LYS 491 CO 0.85 0.04 -1.25 -0.97 -0.57 0.00 0.00 179.45 177.55 3dpo h ASN 492 N 0.00 0.11 0.73 0.86 -1.24 -1.92 -3.37 115.58 110.74 3dpo h ASN 492 Ca -0.00 -0.66 0.00 0.00 0.71 0.00 0.00 56.30 56.35 3dpo h ASN 492 Cb 0.32 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.34 3dpo h ASN 492 CO 0.00 1.51 -0.99 -1.54 -1.29 0.00 0.00 177.43 175.12 3dpo n SER 493 N -4.26 0.68 0.00 1.15 3.41 -1.15 -4.92 113.62 108.54 3dpo n SER 493 Ca -0.29 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 3dpo n SER 493 Cb 0.74 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.28 3dpo n SER 493 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dpo n GLY 494 N 1.28 0.94 3.77 5.00 0.00 0.13 -5.00 105.19 111.31 3dpo n GLY 494 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3dpo n GLY 494 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dpo s LYS 495 N -0.20 4.25 0.03 1.61 1.02 -1.23 -4.75 119.74 120.47 3dpo s LYS 495 Ca 0.00 2.02 -0.01 0.00 0.02 0.00 0.00 55.97 58.00 3dpo s LYS 495 Cb 0.00 -2.92 -0.02 0.00 -0.52 0.00 0.00 37.83 34.37 3dpo s LYS 495 CO 0.00 -0.21 -0.01 -2.00 -0.92 0.00 0.00 175.35 172.21 3dpo s GLU 496 N -1.96 0.39 -0.00 1.68 2.12 -1.26 -0.41 118.70 119.25 3dpo s GLU 496 Ca 0.52 -0.71 -0.06 0.00 0.36 0.00 0.00 54.97 55.07 3dpo s GLU 496 Cb -0.35 0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.18 3dpo s GLU 496 CO 0.46 -0.07 0.12 -0.65 -0.54 0.00 0.00 175.26 174.58 3dpo s GLN 497 N -1.95 0.42 0.03 4.30 -1.52 -0.41 -5.01 119.66 115.51 3dpo s GLN 497 Ca -0.11 -0.32 0.01 0.00 -1.95 0.00 0.00 55.36 52.99 3dpo s GLN 497 Cb -0.06 0.17 -0.02 0.00 -0.22 0.00 0.00 33.01 32.88 3dpo s GLN 497 CO -0.03 -0.09 -0.05 0.15 -0.25 0.00 0.00 175.29 175.02 3dpo s LYS 498 N -1.15 0.39 0.20 2.91 1.02 -1.26 -0.82 119.74 121.02 3dpo s LYS 498 Ca -0.12 -0.62 0.02 0.00 0.02 0.00 0.00 55.97 55.27 3dpo s LYS 498 Cb -0.07 -0.08 -0.05 0.00 -0.52 0.00 0.00 37.83 37.11 3dpo s LYS 498 CO 0.01 0.00 0.01 0.96 -0.92 0.00 0.00 175.35 175.41 3dpo s ILE 499 N -1.29 0.74 -0.09 2.17 -4.36 0.23 -5.00 121.20 113.59 3dpo s ILE 499 Ca -0.12 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.30 3dpo s ILE 499 Cb -0.09 -2.23 0.01 0.00 1.25 0.00 0.00 42.46 41.39 3dpo s ILE 499 CO -0.00 -0.38 -0.17 -0.89 0.24 0.00 0.00 174.94 173.74 3dpo s THR 500 N -3.62 1.57 -0.17 8.37 2.01 -1.26 -1.06 115.64 121.48 3dpo s THR 500 Ca 0.27 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.56 3dpo s THR 500 Cb 0.06 -1.41 0.03 0.00 0.01 0.00 0.00 72.50 71.19 3dpo s THR 500 CO 0.06 0.45 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.67 3dpo s ILE 501 N 0.71 1.71 0.64 1.82 1.01 0.64 -4.99 121.20 122.73 3dpo s ILE 501 Ca -0.12 -0.80 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 3dpo s ILE 501 Cb -0.16 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 3dpo s ILE 501 CO 0.03 0.41 1.13 -1.59 0.00 0.00 0.00 174.94 174.92 3dpo s LYS 502 N 1.42 2.85 0.54 2.79 -2.85 -1.26 -0.80 119.74 122.42 3dpo s LYS 502 Ca 0.03 1.51 0.24 0.00 -1.00 0.00 0.00 55.97 56.75 3dpo s LYS 502 Cb -0.14 -1.95 1.41 0.00 -2.06 0.00 0.00 37.83 35.10 3dpo s LYS 502 CO -0.11 -1.23 2.05 0.00 0.10 0.00 0.00 175.35 176.16 3dpo h ALA 503 N 0.29 2.24 -0.01 0.59 0.00 -1.85 -1.46 119.26 119.06 3dpo h ALA 503 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3dpo h ALA 503 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3dpo h ALA 503 CO 0.54 -0.42 -0.07 -1.13 0.00 0.00 0.00 179.25 178.18 3dpo n SER 504 N -4.31 0.71 -4.65 0.00 3.41 -1.26 -4.90 113.62 102.62 3dpo n SER 504 Ca 0.05 -0.96 -0.29 0.00 -0.26 0.00 0.00 58.87 57.41 3dpo n SER 504 Cb 0.42 -0.02 0.18 0.00 -0.26 0.00 0.00 64.21 64.53 3dpo n SER 504 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3dpo s SER 505 N -2.23 2.60 0.41 4.04 0.01 -0.55 -4.88 113.70 113.09 3dpo s SER 505 Ca 0.35 1.39 0.00 0.00 1.31 0.00 0.00 55.95 59.01 3dpo s SER 505 Cb 0.21 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.36 3dpo s SER 505 CO 0.41 -3.17 0.00 0.61 0.41 0.00 0.00 173.24 171.50 3dpo n GLY 506 N -0.69 0.34 3.80 3.44 0.00 -1.26 -4.92 105.19 105.90 3dpo n GLY 506 Ca 0.06 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 3dpo n GLY 506 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dpo s LEU 507 N 0.00 4.44 0.86 0.99 1.43 -1.26 -5.07 118.68 120.08 3dpo s LEU 507 Ca 0.00 1.48 -0.12 0.00 -1.03 0.00 0.00 54.13 54.46 3dpo s LEU 507 Cb 0.00 -3.42 0.15 0.00 0.03 0.00 0.00 46.19 42.95 3dpo s LEU 507 CO 0.00 0.12 1.21 0.54 0.23 0.00 0.00 176.35 178.44 3dpo s ASN 508 N -1.43 3.78 0.22 2.29 2.20 -1.26 -4.78 114.94 115.96 3dpo s ASN 508 Ca 0.39 0.29 -0.08 0.00 -0.94 0.00 0.00 52.86 52.53 3dpo s ASN 508 Cb -0.19 -0.55 0.27 0.00 -2.00 0.00 0.00 41.25 38.78 3dpo s ASN 508 CO 0.22 -2.30 1.83 -0.33 -2.94 0.00 0.00 177.10 173.58 3dpo h GLU 509 N -1.23 0.81 -0.71 3.55 5.08 -1.99 0.15 114.58 120.23 3dpo h GLU 509 Ca -0.44 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 57.81 3dpo h GLU 509 Cb 1.27 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 3dpo h GLU 509 CO 0.46 0.53 0.17 0.22 -1.00 0.00 0.00 179.01 179.39 3dpo h ASP 510 N 0.83 1.09 0.44 1.42 1.82 -2.00 -2.33 116.42 117.69 3dpo h ASP 510 Ca 0.33 -0.24 -0.11 0.00 -0.39 0.00 0.00 57.03 56.63 3dpo h ASP 510 Cb 0.16 -0.29 -0.01 0.00 0.68 0.00 0.00 39.33 39.87 3dpo h ASP 510 CO -0.17 1.04 -0.49 -0.33 -1.61 0.00 0.00 179.24 177.69 3dpo h GLU 511 N 1.08 0.06 -0.12 0.28 5.08 -1.38 -1.63 114.58 117.95 3dpo h GLU 511 Ca 0.22 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 3dpo h GLU 511 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3dpo h GLU 511 CO 0.00 0.53 -0.08 0.82 -1.00 0.00 0.00 179.01 179.29 3dpo h ILE 512 N 0.05 1.34 -0.60 3.13 2.04 -0.45 0.72 117.51 123.73 3dpo h ILE 512 Ca -0.00 -1.17 0.01 0.00 1.00 0.00 0.00 64.86 64.70 3dpo h ILE 512 Cb 0.88 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.79 3dpo h ILE 512 CO 0.07 0.33 0.40 -0.61 0.00 0.00 0.00 178.15 178.34 3dpo h GLN 513 N -0.12 0.79 -0.80 2.37 4.15 -1.27 -1.65 115.11 118.58 3dpo h GLN 513 Ca 0.02 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 3dpo h GLN 513 Cb 0.57 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.04 3dpo h GLN 513 CO 0.02 0.53 0.48 0.87 -1.93 0.00 0.00 178.83 178.80 3dpo h LYS 514 N 0.81 1.09 -0.42 1.69 1.57 -1.02 -2.48 116.57 117.81 3dpo h LYS 514 Ca 0.22 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3dpo h LYS 514 Cb -0.09 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 31.98 3dpo h LYS 514 CO -0.05 0.76 -0.03 1.98 -0.57 0.00 0.00 179.45 181.54 3dpo h MET 515 N 1.11 0.76 -0.64 3.15 4.05 -0.21 0.59 114.93 123.74 3dpo h MET 515 Ca 0.29 -0.26 -0.06 0.00 -0.28 0.00 0.00 59.70 59.39 3dpo h MET 515 Cb -0.04 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.67 3dpo h MET 515 CO -0.05 0.85 0.17 0.28 0.23 0.00 0.00 176.91 178.39 3dpo h VAL 516 N 0.58 1.25 -0.42 -5.77 2.07 -1.03 -0.16 116.25 112.78 3dpo h VAL 516 Ca 0.11 -0.90 -0.13 0.00 0.82 0.00 0.00 66.70 66.60 3dpo h VAL 516 Cb 0.53 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3dpo h VAL 516 CO 0.03 0.34 -0.24 0.03 0.02 0.00 0.00 177.57 177.75 3dpo h ARG 517 N 0.93 0.90 -0.80 1.57 3.08 -1.28 -1.79 114.38 116.98 3dpo h ARG 517 Ca 0.20 -0.41 0.01 0.00 0.07 0.00 0.00 59.98 59.85 3dpo h ARG 517 Cb 0.34 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 3dpo h ARG 517 CO -0.00 1.06 0.53 0.22 -1.07 0.00 0.00 179.97 180.71 3dpo h ASP 518 N 0.73 0.91 -0.17 7.04 3.58 -0.40 -0.67 116.42 127.43 3dpo h ASP 518 Ca 0.09 -0.02 -0.14 0.00 0.42 0.00 0.00 57.03 57.38 3dpo h ASP 518 Cb 0.81 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 3dpo h ASP 518 CO 0.07 0.66 -0.38 0.00 -2.88 0.00 0.00 179.24 176.70 3dpo h ALA 519 N 1.30 0.76 -0.43 -0.78 0.00 -0.78 -2.06 119.26 117.28 3dpo h ALA 519 Ca 0.30 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3dpo h ALA 519 Cb -0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3dpo h ALA 519 CO -0.07 0.66 -0.18 1.05 0.00 0.00 0.00 179.25 180.71 3dpo h GLU 520 N 0.58 0.83 0.00 0.00 -0.00 -0.60 -1.41 114.58 113.98 3dpo h GLU 520 Ca 0.05 -0.32 0.00 0.00 -0.00 0.00 0.00 59.36 59.09 3dpo h GLU 520 Cb 0.92 -0.05 0.00 0.00 -0.00 0.00 0.00 28.75 29.62 3dpo h GLU 520 CO 0.08 0.95 0.00 0.00 -0.00 0.00 0.00 179.01 180.04 3dpo h ALA 521 N 1.06 1.00 -0.14 1.06 0.00 -0.75 -3.10 119.26 118.40 3dpo h ALA 521 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3dpo h ALA 521 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3dpo h ALA 521 CO 0.05 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.39 3dpo n ASN 522 N -3.09 2.85 -0.32 0.00 3.02 -0.81 -4.69 115.26 112.22 3dpo n ASN 522 Ca 0.03 -2.64 0.01 0.00 -0.03 0.00 0.00 54.58 51.94 3dpo n ASN 522 Cb 0.44 -0.34 0.15 0.00 -0.61 0.00 0.00 39.78 39.42 3dpo n ASN 522 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dpo h ALA 523 N 0.92 1.20 0.01 5.41 0.00 -1.19 -0.05 119.26 125.56 3dpo h ALA 523 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3dpo h ALA 523 Cb 0.98 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.55 3dpo h ALA 523 CO 0.07 0.28 -0.64 1.49 0.00 0.00 0.00 179.25 180.45 3dpo h GLU 524 N 0.98 0.41 -0.07 0.00 4.57 -1.86 -2.35 114.58 116.27 3dpo h GLU 524 Ca 0.38 -0.46 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3dpo h GLU 524 Cb 0.18 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3dpo h GLU 524 CO -0.18 1.13 0.04 0.00 -1.18 0.00 0.00 179.01 178.81 3dpo h ALA 525 N 0.30 1.93 0.01 2.92 0.00 -1.82 -1.61 119.26 120.98 3dpo h ALA 525 Ca -0.08 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 3dpo h ALA 525 Cb 1.36 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3dpo h ALA 525 CO 0.13 0.06 -0.92 -0.44 0.00 0.00 0.00 179.25 178.08 3dpo h ASP 526 N 0.10 0.32 -0.33 0.00 3.32 -0.87 0.13 116.42 119.09 3dpo h ASP 526 Ca 0.03 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 56.74 3dpo h ASP 526 Cb 0.01 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3dpo h ASP 526 CO -0.00 1.08 -0.02 -0.09 -1.72 0.00 0.00 179.24 178.49 3dpo h ARG 527 N 0.13 0.69 0.02 3.56 2.43 -0.85 -1.13 114.38 119.22 3dpo h ARG 527 Ca -0.06 -0.18 -0.21 0.00 -0.81 0.00 0.00 59.98 58.72 3dpo h ARG 527 Cb 1.56 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.02 3dpo h ARG 527 CO 0.14 0.72 -0.94 0.87 -1.51 0.00 0.00 179.97 179.25 3dpo h LYS 528 N 0.65 0.25 -0.43 0.20 1.79 -0.88 -2.78 116.57 115.37 3dpo h LYS 528 Ca 0.13 -0.29 -0.08 0.00 -2.18 0.00 0.00 60.65 58.23 3dpo h LYS 528 Cb 0.43 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.15 3dpo h LYS 528 CO 0.02 1.02 -0.05 0.35 -1.08 0.00 0.00 179.45 179.71 3dpo h PHE 529 N 0.13 0.77 -0.44 -1.35 3.57 -0.43 -1.55 116.94 117.64 3dpo h PHE 529 Ca -0.06 -0.12 -0.07 0.00 3.53 0.00 0.00 57.97 61.25 3dpo h PHE 529 Cb 1.59 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 40.11 3dpo h PHE 529 CO 0.04 0.75 -0.03 0.93 -2.23 0.00 0.00 178.31 177.78 3dpo h GLU 530 N 0.67 0.74 -0.14 1.11 4.39 -0.96 -1.07 114.58 119.32 3dpo h GLU 530 Ca 0.13 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 3dpo h GLU 530 Cb 0.49 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3dpo h GLU 530 CO 0.03 0.77 -0.21 0.93 -1.16 0.00 0.00 179.01 179.36 3dpo h GLU 531 N 0.69 0.40 -0.90 2.33 5.08 -1.22 -2.36 114.58 118.60 3dpo h GLU 531 Ca 0.13 -0.24 0.15 0.00 -1.00 0.00 0.00 59.36 58.41 3dpo h GLU 531 Cb 0.46 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.64 3dpo h GLU 531 CO 0.02 0.82 0.50 1.25 -1.00 0.00 0.00 179.01 180.60 3dpo h LEU 532 N 0.01 0.64 -0.43 1.33 5.85 -0.92 -2.15 115.31 119.65 3dpo h LEU 532 Ca 0.01 0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.65 3dpo h LEU 532 Cb 0.78 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3dpo h LEU 532 CO 0.05 0.27 -0.79 0.58 -0.34 0.00 0.00 178.44 178.21 3dpo h VAL 533 N 0.70 1.51 -0.73 1.05 2.07 -0.79 0.55 116.25 120.60 3dpo h VAL 533 Ca 0.49 -2.54 0.04 0.00 0.82 0.00 0.00 66.70 65.51 3dpo h VAL 533 Cb 0.68 2.38 -0.05 0.00 -1.52 0.00 0.00 31.29 32.79 3dpo h VAL 533 CO -0.35 0.73 0.46 -0.61 0.02 0.00 0.00 177.57 177.82 3dpo h GLN 534 N 0.06 0.86 -0.03 1.57 4.15 -0.88 0.14 115.11 120.97 3dpo h GLN 534 Ca -0.02 -0.05 -0.16 0.00 0.77 0.00 0.00 58.65 59.19 3dpo h GLN 534 Cb 1.38 -0.19 0.01 0.00 0.21 0.00 0.00 27.48 28.89 3dpo h GLN 534 CO 0.11 0.57 -0.62 1.15 -1.93 0.00 0.00 178.83 178.11 3dpo h THR 535 N 0.88 1.40 -0.68 2.39 2.02 -1.23 -2.09 112.91 115.60 3dpo h THR 535 Ca 0.30 -2.03 0.09 0.00 0.77 0.00 0.00 66.41 65.54 3dpo h THR 535 Cb 0.05 2.48 -0.07 0.00 -1.74 0.00 0.00 68.15 68.87 3dpo h THR 535 CO -0.12 0.60 0.33 0.03 0.37 0.00 0.00 175.52 176.73 3dpo h ARG 536 N -0.00 0.56 -0.36 6.66 3.08 -0.63 -0.55 114.38 123.14 3dpo h ARG 536 Ca -0.07 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.81 3dpo h ARG 536 Cb 1.31 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 3dpo h ARG 536 CO 0.12 0.37 -0.31 -0.91 -1.07 0.00 0.00 179.97 178.17 3dpo h ASN 537 N 0.58 0.83 -0.72 7.04 2.35 -0.51 0.62 115.58 125.76 3dpo h ASN 537 Ca 0.33 -0.34 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3dpo h ASN 537 Cb 0.35 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 3dpo h ASN 537 CO -0.26 1.07 0.47 1.56 -1.65 0.00 0.00 177.43 178.62 3dpo h GLN 538 N 0.67 0.96 -0.36 0.81 4.20 -0.85 -0.69 115.11 119.84 3dpo h GLN 538 Ca 0.07 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 58.55 3dpo h GLN 538 Cb 0.85 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 3dpo h GLN 538 CO 0.07 0.64 -0.43 0.78 -0.67 0.00 0.00 178.83 179.22 3dpo h GLY 539 N 0.99 1.01 1.30 3.46 0.00 -0.20 -1.80 103.07 107.84 3dpo h GLY 539 Ca 0.26 -1.08 -0.09 0.00 0.00 0.00 0.00 47.33 46.43 3dpo h GLY 539 CO -0.06 0.97 -0.05 -1.80 0.00 0.00 0.00 176.54 175.61 3dpo h ASP 540 N 0.74 0.82 -0.07 0.19 -0.00 -0.49 -1.21 116.42 116.40 3dpo h ASP 540 Ca 0.05 -0.23 -0.12 0.00 -0.00 0.00 0.00 57.03 56.74 3dpo h ASP 540 Cb 1.04 -0.22 -0.01 0.00 -0.00 0.00 0.00 39.33 40.13 3dpo h ASP 540 CO 0.10 0.91 -0.33 0.45 -0.00 0.00 0.00 179.24 180.38 3dpo h HIS 541 N 0.77 0.63 -0.12 0.28 3.86 -0.79 -0.35 115.15 119.44 3dpo h HIS 541 Ca 0.14 -0.16 -0.19 0.00 -1.16 0.00 0.00 60.37 59.00 3dpo h HIS 541 Cb 0.54 -0.14 0.01 0.00 1.06 0.00 0.00 27.41 28.87 3dpo h HIS 541 CO 0.03 0.81 -0.68 1.25 0.86 0.00 0.00 177.93 180.20 3dpo h LEU 542 N 0.47 0.80 -0.34 2.43 5.85 -0.99 -1.27 115.31 122.25 3dpo h LEU 542 Ca 0.05 -0.65 0.06 0.00 0.84 0.00 0.00 57.88 58.19 3dpo h LEU 542 Cb 0.80 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 3dpo h LEU 542 CO 0.06 1.32 -0.01 0.25 -0.34 0.00 0.00 178.44 179.73 3dpo h LEU 543 N 0.33 -0.15 -0.52 2.25 5.85 -0.98 -0.43 115.31 121.67 3dpo h LEU 543 Ca -0.05 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 3dpo h LEU 543 Cb 1.32 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 3dpo h LEU 543 CO 0.14 -0.04 -0.25 0.45 -0.34 0.00 0.00 178.44 178.40 3dpo h HIS 544 N 0.09 1.08 -0.16 1.25 3.86 -0.95 -1.69 115.15 118.63 3dpo h HIS 544 Ca 0.16 -0.27 -0.16 0.00 -1.16 0.00 0.00 60.37 58.94 3dpo h HIS 544 Cb 0.23 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 3dpo h HIS 544 CO -0.25 1.08 -0.56 0.77 0.86 0.00 0.00 177.93 179.84 3dpo h SER 545 N 0.80 0.55 -0.19 2.45 0.02 -0.95 -2.37 113.55 113.86 3dpo h SER 545 Ca 0.10 -0.29 -0.14 0.00 -0.84 0.00 0.00 61.79 60.61 3dpo h SER 545 Cb 0.82 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.21 3dpo h SER 545 CO 0.07 0.99 -0.45 0.74 -1.14 0.00 0.00 176.83 177.05 3dpo h THR 546 N 0.38 1.33 -0.30 -2.27 2.02 -1.00 -1.95 112.91 111.11 3dpo h THR 546 Ca 0.01 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.50 3dpo h THR 546 Cb 1.09 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.39 3dpo h THR 546 CO 0.10 0.52 0.19 -0.09 0.37 0.00 0.00 175.52 176.62 3dpo h ARG 547 N 0.31 0.40 -0.90 6.66 2.43 -1.19 -0.79 114.38 121.29 3dpo h ARG 547 Ca -0.00 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3dpo h ARG 547 Cb 1.06 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.46 3dpo h ARG 547 CO 0.10 0.27 0.58 -0.22 -1.51 0.00 0.00 179.97 179.19 3dpo h LYS 548 N 0.40 1.08 -0.09 0.20 1.63 -1.32 -2.12 116.57 116.36 3dpo h LYS 548 Ca 0.11 -0.06 -0.15 0.00 -0.85 0.00 0.00 60.65 59.69 3dpo h LYS 548 Cb -0.04 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 31.34 3dpo h LYS 548 CO -0.02 0.71 -0.61 1.96 -3.45 0.00 0.00 179.45 178.05 3dpo h GLN 549 N 1.11 0.31 -0.06 1.90 4.20 -0.60 -0.42 115.11 121.56 3dpo h GLN 549 Ca 0.36 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 3dpo h GLN 549 Cb 0.03 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 3dpo h GLN 549 CO -0.13 0.82 0.01 0.28 -0.67 0.00 0.00 178.83 179.14 3dpo h VAL 550 N 0.23 1.23 0.28 -0.54 2.07 -0.55 -2.09 116.25 116.88 3dpo h VAL 550 Ca -0.01 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3dpo h VAL 550 Cb 1.12 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3dpo h VAL 550 CO 0.10 0.19 -0.17 -0.08 0.02 0.00 0.00 177.57 177.63 3dpo h GLU 551 N -0.16 -0.42 -1.03 1.57 4.81 -1.20 0.43 114.58 118.58 3dpo h GLU 551 Ca 0.02 0.03 0.29 0.00 -0.13 0.00 0.00 59.36 59.56 3dpo h GLU 551 Cb 0.30 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 3dpo h GLU 551 CO 0.00 -0.28 0.72 0.93 -0.73 0.00 0.00 179.01 179.66 3dpo h GLU 552 N -0.43 0.09 0.00 1.92 5.08 -0.97 -1.70 114.58 118.57 3dpo h GLU 552 Ca -0.03 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.13 3dpo h GLU 552 Cb 0.36 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 3dpo h GLU 552 CO 0.03 0.06 -2.04 0.00 -1.00 0.00 0.00 179.01 176.06 3dpo n ALA 553 N -2.68 2.05 0.00 3.43 0.00 -0.61 -4.91 120.51 117.78 3dpo n ALA 553 Ca 0.22 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.78 3dpo n ALA 553 Cb 1.04 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3dpo n ALA 553 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dpo n GLY 554 N 1.50 0.14 0.07 0.00 0.00 0.14 -1.08 105.19 105.96 3dpo n GLY 554 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.92 3dpo n GLY 554 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dpo n ASP 555 N 0.29 0.44 -0.10 1.61 2.03 -1.26 -3.68 116.55 115.88 3dpo n ASP 555 Ca 0.00 0.18 0.13 0.00 0.52 0.00 0.00 54.79 55.62 3dpo n ASP 555 Cb 0.00 1.09 0.50 0.00 -0.72 0.00 0.00 41.12 41.99 3dpo n ASP 555 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3dpo n LYS 556 N -2.54 0.47 -3.21 -0.67 5.02 -0.24 -4.67 118.16 112.32 3dpo n LYS 556 Ca -0.05 -0.19 -0.41 0.00 -2.02 0.00 0.00 58.31 55.63 3dpo n LYS 556 Cb 0.64 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.08 3dpo n LYS 556 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3dpo s LEU 557 N -2.67 4.29 0.33 -0.35 2.96 -1.24 -5.04 118.68 116.97 3dpo s LEU 557 Ca 0.22 0.08 -0.28 0.00 -0.22 0.00 0.00 54.13 53.93 3dpo s LEU 557 Cb 0.19 -2.64 -0.12 0.00 0.50 0.00 0.00 46.19 44.11 3dpo s LEU 557 CO 0.54 -0.49 1.26 -2.65 -1.32 0.00 0.00 176.35 173.69 3dpo n PRO 558 N 5.80 2.04 0.28 0.98 -0.02 -1.26 -4.77 135.00 138.04 3dpo n PRO 558 Ca -0.04 0.72 0.13 0.00 -2.02 0.00 0.00 63.50 62.29 3dpo n PRO 558 Cb 0.49 -2.27 0.80 0.00 -0.02 0.00 0.00 33.50 32.49 3dpo n PRO 558 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dpo h ALA 559 N 2.50 1.45 0.18 3.55 0.00 -1.96 0.70 119.26 125.69 3dpo h ALA 559 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3dpo h ALA 559 Cb 1.29 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3dpo h ALA 559 CO 0.62 0.08 -0.17 -0.44 0.00 0.00 0.00 179.25 179.34 3dpo h ASP 560 N 0.00 -0.46 -0.61 0.00 3.45 -2.01 -2.69 116.42 114.10 3dpo h ASP 560 Ca -0.00 0.04 -0.09 0.00 0.43 0.00 0.00 57.03 57.42 3dpo h ASP 560 Cb 0.16 0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.07 3dpo h ASP 560 CO 0.01 -0.26 0.05 0.44 -1.57 0.00 0.00 179.24 177.91 3dpo h ASP 561 N -0.38 1.02 1.33 6.45 3.32 -1.23 -2.65 116.42 124.27 3dpo h ASP 561 Ca -0.00 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3dpo h ASP 561 Cb 0.36 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3dpo h ASP 561 CO -0.04 1.05 0.00 0.50 -1.72 0.00 0.00 179.24 179.04 3dpo h LYS 562 N 0.96 0.00 0.17 3.56 3.64 -1.27 -1.17 116.57 122.46 3dpo h LYS 562 Ca 0.18 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.23 3dpo h LYS 562 Cb 0.50 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3dpo h LYS 562 CO 0.02 0.00 -1.61 1.15 -2.27 0.00 0.00 179.45 176.75 3dpo h THR 563 N 0.00 1.10 -0.01 1.00 2.02 -1.14 -2.69 112.91 113.18 3dpo h THR 563 Ca 0.00 -2.67 -0.13 0.00 0.77 0.00 0.00 66.41 64.38 3dpo h THR 563 Cb 0.66 2.82 -0.02 0.00 -1.74 0.00 0.00 68.15 69.87 3dpo h THR 563 CO 0.00 0.84 -0.60 0.00 0.37 0.00 0.00 175.52 176.13 3dpo h ALA 564 N 0.28 0.99 0.13 6.16 0.00 -1.14 -2.69 119.26 122.98 3dpo h ALA 564 Ca -0.28 -0.54 -0.19 0.00 0.00 0.00 0.00 54.91 53.90 3dpo h ALA 564 Cb 2.08 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 19.80 3dpo h ALA 564 CO 0.19 0.74 -0.81 0.82 0.00 0.00 0.00 179.25 180.19 3dpo h ILE 565 N 0.03 1.50 -0.21 0.00 2.04 -1.30 -1.39 117.51 118.18 3dpo h ILE 565 Ca -0.01 -2.51 -0.01 0.00 1.00 0.00 0.00 64.86 63.33 3dpo h ILE 565 Cb 1.06 3.16 -0.01 0.00 -0.74 0.00 0.00 36.82 40.29 3dpo h ILE 565 CO 0.08 0.71 0.07 -0.33 0.00 0.00 0.00 178.15 178.69 3dpo h GLU 566 N -0.34 0.29 -0.03 2.37 4.39 -1.48 0.34 114.58 120.12 3dpo h GLU 566 Ca -0.14 -0.03 -0.26 0.00 0.34 0.00 0.00 59.36 59.27 3dpo h GLU 566 Cb 1.63 -0.06 0.02 0.00 -0.10 0.00 0.00 28.75 30.24 3dpo h GLU 566 CO 0.15 0.25 -0.99 0.77 -1.16 0.00 0.00 179.01 178.04 3dpo h SER 567 N 0.29 0.88 0.16 1.42 0.02 -1.35 -2.63 113.55 112.34 3dpo h SER 567 Ca 0.07 -0.68 -0.16 0.00 -0.84 0.00 0.00 61.79 60.18 3dpo h SER 567 Cb 0.08 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 3dpo h SER 567 CO -0.01 1.48 -0.61 0.00 -1.14 0.00 0.00 176.83 176.55 3dpo h ALA 568 N 0.47 0.70 -0.68 3.77 0.00 -0.38 -1.36 119.26 121.77 3dpo h ALA 568 Ca -0.11 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.19 3dpo h ALA 568 Cb 1.64 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 3dpo h ALA 568 CO 0.19 0.71 0.17 -0.07 0.00 0.00 0.00 179.25 180.26 3dpo h LEU 569 N 0.33 1.03 -0.39 0.00 3.38 -0.34 -0.38 115.31 118.94 3dpo h LEU 569 Ca -0.01 -0.23 -0.17 0.00 0.09 0.00 0.00 57.88 57.56 3dpo h LEU 569 Cb 1.16 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3dpo h LEU 569 CO 0.11 0.99 -0.51 0.74 0.09 0.00 0.00 178.44 179.86 3dpo h THR 570 N 1.02 1.28 -0.69 0.22 2.02 -1.10 -0.77 112.91 114.90 3dpo h THR 570 Ca 0.22 -1.70 -0.05 0.00 0.77 0.00 0.00 66.41 65.65 3dpo h THR 570 Cb 0.36 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 3dpo h THR 570 CO 0.00 0.55 0.25 0.00 0.37 0.00 0.00 175.52 176.69 3dpo h ALA 571 N 0.79 1.14 -0.25 6.16 0.00 -0.79 -1.40 119.26 124.91 3dpo h ALA 571 Ca 0.02 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 3dpo h ALA 571 Cb 1.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3dpo h ALA 571 CO 0.11 0.60 -0.48 1.25 0.00 0.00 0.00 179.25 180.73 3dpo h LEU 572 N 1.00 0.74 -0.21 0.00 5.85 -0.41 -1.25 115.31 121.03 3dpo h LEU 572 Ca 0.23 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 3dpo h LEU 572 Cb 0.23 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3dpo h LEU 572 CO -0.02 1.10 0.06 -0.08 -0.34 0.00 0.00 178.44 179.17 3dpo h GLU 573 N 0.54 0.32 0.39 1.25 4.81 -0.65 -1.37 114.58 119.87 3dpo h GLU 573 Ca 0.03 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3dpo h GLU 573 Cb 1.03 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 3dpo h GLU 573 CO 0.10 0.42 -0.38 1.15 -0.73 0.00 0.00 179.01 179.57 3dpo h THR 574 N 0.16 0.23 -1.10 0.32 2.02 -1.11 -2.64 112.91 110.79 3dpo h THR 574 Ca 0.07 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.55 3dpo h THR 574 Cb 0.23 0.23 -0.10 0.00 -1.74 0.00 0.00 68.15 66.77 3dpo h THR 574 CO -0.00 0.00 0.71 0.00 0.37 0.00 0.00 175.52 176.60 3dpo h ALA 575 N -0.38 2.38 0.00 6.16 0.00 -0.68 0.16 119.26 126.90 3dpo h ALA 575 Ca -0.03 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dpo h ALA 575 Cb 0.70 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3dpo h ALA 575 CO -0.06 -0.82 -0.00 -0.07 0.00 0.00 0.00 179.25 178.30 3dpo h LEU 576 N 0.31 0.00 -0.16 0.00 3.38 -0.88 -1.48 115.31 116.47 3dpo h LEU 576 Ca 0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.60 3dpo h LEU 576 Cb 1.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.50 3dpo h LEU 576 CO -0.30 0.00 -0.15 0.29 0.09 0.00 0.00 178.44 178.37 3dpo n LYS 577 N -3.10 0.47 -3.01 1.13 5.02 0.55 -4.82 118.16 114.40 3dpo n LYS 577 Ca -0.01 -0.16 -0.19 0.00 -2.02 0.00 0.00 58.31 55.92 3dpo n LYS 577 Cb 0.18 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.74 3dpo n LYS 577 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3dpo s GLY 578 N -2.64 1.78 -0.21 0.72 0.00 -0.56 -5.03 107.32 101.38 3dpo s GLY 578 Ca 0.24 -2.01 0.13 0.00 0.00 0.00 0.00 44.72 43.08 3dpo s GLY 578 CO 0.52 -1.61 1.30 -2.21 0.00 0.00 0.00 173.10 171.10 3dpo n GLU 579 N -2.17 1.76 -3.40 2.90 2.13 -1.26 -4.93 120.64 115.68 3dpo n GLU 579 Ca 0.14 -3.05 -0.41 0.00 0.66 0.00 0.00 57.16 54.49 3dpo n GLU 579 Cb 0.61 -1.68 -0.09 0.00 0.27 0.00 0.00 31.44 30.54 3dpo n GLU 579 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3dpo s ASP 580 N -2.79 6.17 0.03 4.31 -1.08 -1.26 -4.96 116.67 117.08 3dpo s ASP 580 Ca 0.39 -0.38 -0.24 0.00 -0.52 0.00 0.00 52.55 51.81 3dpo s ASP 580 Cb 0.36 -2.20 -0.17 0.00 -1.46 0.00 0.00 42.92 39.45 3dpo s ASP 580 CO -0.01 -0.39 1.44 0.50 0.52 0.00 0.00 175.17 177.24 3dpo h LYS 581 N 8.53 0.06 -0.49 4.34 3.64 -1.94 -2.69 116.57 128.02 3dpo h LYS 581 Ca -0.29 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.09 3dpo h LYS 581 Cb 1.14 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 3dpo h LYS 581 CO 0.71 0.36 0.29 0.00 -2.27 0.00 0.00 179.45 178.54 3dpo h ALA 582 N 0.70 0.63 -0.64 5.00 0.00 -1.99 -0.98 119.26 121.98 3dpo h ALA 582 Ca 0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3dpo h ALA 582 Cb 0.34 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3dpo h ALA 582 CO 0.00 -0.02 0.42 0.00 0.00 0.00 0.00 179.25 179.65 3dpo h ALA 583 N 1.23 1.62 0.04 0.00 0.00 -1.95 0.22 119.26 120.42 3dpo h ALA 583 Ca 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3dpo h ALA 583 Cb 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3dpo h ALA 583 CO -0.10 0.32 -0.02 0.82 0.00 0.00 0.00 179.25 180.27 3dpo h ILE 584 N 0.78 1.24 0.00 0.00 2.04 -0.99 -1.51 117.51 119.08 3dpo h ILE 584 Ca 0.25 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 3dpo h ILE 584 Cb 0.02 1.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3dpo h ILE 584 CO -0.06 0.23 -0.13 -0.33 0.00 0.00 0.00 178.15 177.85 3dpo h GLU 585 N -0.46 0.00 -0.19 2.37 5.08 -0.44 -1.10 114.58 119.84 3dpo h GLU 585 Ca -0.01 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 3dpo h GLU 585 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3dpo h GLU 585 CO 0.01 0.13 -0.51 0.00 -1.00 0.00 0.00 179.01 177.64 3dpo h ALA 586 N 1.87 0.32 -0.03 3.43 0.00 -0.51 -0.50 119.26 123.84 3dpo h ALA 586 Ca -0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 3dpo h ALA 586 Cb 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3dpo h ALA 586 CO 0.02 0.51 -0.40 0.87 0.00 0.00 0.00 179.25 180.24 3dpo h LYS 587 N 0.38 0.06 -0.52 0.00 1.79 -0.40 -1.56 116.57 116.32 3dpo h LYS 587 Ca -0.01 -0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 58.33 3dpo h LYS 587 Cb 1.13 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.76 3dpo h LYS 587 CO 0.11 0.45 -0.11 0.52 -1.08 0.00 0.00 179.45 179.34 3dpo h MET 588 N 0.05 0.98 -0.58 3.15 2.86 -0.88 -1.94 114.93 118.57 3dpo h MET 588 Ca 0.00 -0.37 0.01 0.00 -2.06 0.00 0.00 59.70 57.28 3dpo h MET 588 Cb 0.73 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.30 3dpo h MET 588 CO 0.05 1.04 0.38 0.37 1.06 0.00 0.00 176.91 179.82 3dpo h GLN 589 N 0.85 0.74 0.00 1.72 5.75 -0.59 -1.13 115.11 122.45 3dpo h GLN 589 Ca 0.13 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.52 3dpo h GLN 589 Cb 0.67 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.04 3dpo h GLN 589 CO 0.05 0.49 -0.31 0.93 -2.65 0.00 0.00 178.83 177.34 3dpo h GLU 590 N 0.77 0.00 0.02 1.69 5.08 -0.94 -0.77 114.58 120.42 3dpo h GLU 590 Ca 0.22 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.33 3dpo h GLU 590 Cb -0.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.20 3dpo h GLU 590 CO -0.06 0.31 -1.02 1.25 -1.00 0.00 0.00 179.01 178.50 3dpo h LEU 591 N 0.00 0.67 -1.22 1.33 5.85 -0.91 -2.99 115.31 118.03 3dpo h LEU 591 Ca -0.00 -0.55 -0.08 0.00 0.84 0.00 0.00 57.88 58.09 3dpo h LEU 591 Cb 0.58 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3dpo h LEU 591 CO 0.04 1.36 -0.33 0.00 -0.34 0.00 0.00 178.44 179.17 3dpo h ALA 592 N 0.59 1.36 0.00 1.25 0.00 -0.34 -2.50 119.26 119.62 3dpo h ALA 592 Ca -0.11 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3dpo h ALA 592 Cb 1.66 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 3dpo h ALA 592 CO 0.18 0.46 -0.13 1.96 0.00 0.00 0.00 179.25 181.73 3dpo h GLN 593 N 0.08 0.00 -0.41 0.00 4.20 -1.02 -2.71 115.11 115.25 3dpo h GLN 593 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3dpo h GLN 593 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 3dpo h GLN 593 CO 0.05 0.13 0.00 1.33 -0.67 0.00 0.00 178.83 179.67 3dpo n VAL 594 N -3.23 1.10 0.05 -0.54 0.24 -0.96 -4.48 118.33 110.51 3dpo n VAL 594 Ca 0.01 -1.06 0.04 0.00 -2.04 0.00 0.00 64.34 61.29 3dpo n VAL 594 Cb 0.43 0.45 0.07 0.00 -1.47 0.00 0.00 33.84 33.32 3dpo n VAL 594 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3dpo n SER 595 N 0.64 2.21 -0.09 -1.34 7.64 -1.02 -4.69 113.62 116.96 3dpo n SER 595 Ca 0.14 -1.72 0.00 0.00 1.01 0.00 0.00 58.87 58.31 3dpo n SER 595 Cb 0.50 -0.09 0.28 0.00 -1.01 0.00 0.00 64.21 63.89 3dpo n SER 595 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3dpo h GLN 596 N 1.37 0.73 0.00 1.43 1.08 -1.79 -0.35 115.11 117.59 3dpo h GLN 596 Ca 0.00 -0.10 -0.17 0.00 -1.45 0.00 0.00 58.65 56.93 3dpo h GLN 596 Cb 0.51 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 3dpo h GLN 596 CO 0.00 0.59 -0.81 -0.22 -0.95 0.00 0.00 178.83 177.44 3dpo h LYS 597 N 0.73 0.00 -0.33 1.46 1.63 -1.95 -2.13 116.57 115.97 3dpo h LYS 597 Ca 0.18 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.84 3dpo h LYS 597 Cb 0.12 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 3dpo h LYS 597 CO -0.02 0.81 -0.36 1.25 -3.45 0.00 0.00 179.45 177.68 3dpo h LEU 598 N 0.00 0.81 -0.62 5.20 5.85 -1.63 -1.03 115.31 123.89 3dpo h LEU 598 Ca -0.01 -0.35 -0.15 0.00 0.84 0.00 0.00 57.88 58.21 3dpo h LEU 598 Cb 1.47 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 3dpo h LEU 598 CO 0.11 1.09 -0.56 0.24 -0.34 0.00 0.00 178.44 178.97 3dpo h MET 599 N 0.64 0.39 -0.13 1.25 2.86 -0.67 0.23 114.93 119.49 3dpo h MET 599 Ca 0.06 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.39 3dpo h MET 599 Cb 0.90 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.59 3dpo h MET 599 CO 0.08 0.84 -0.16 0.93 1.06 0.00 0.00 176.91 179.67 3dpo h GLU 600 N 0.30 0.34 0.91 1.72 5.08 -1.07 -1.70 114.58 120.16 3dpo h GLU 600 Ca 0.00 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 3dpo h GLU 600 Cb 1.07 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.34 3dpo h GLU 600 CO 0.10 0.75 -0.44 0.82 -1.00 0.00 0.00 179.01 179.23 3dpo h ILE 601 N -0.05 0.05 -0.88 3.13 2.04 -0.87 -2.76 117.51 118.17 3dpo h ILE 601 Ca 0.02 -0.06 0.23 0.00 1.00 0.00 0.00 64.86 66.05 3dpo h ILE 601 Cb 0.70 0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 3dpo h ILE 601 CO 0.04 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.80 3dpo h ALA 602 N -1.23 2.57 -0.01 1.87 0.00 -0.58 -3.51 119.26 118.37 3dpo h ALA 602 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3dpo h ALA 602 Cb 0.94 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3dpo h ALA 602 CO 0.21 -0.84 0.00 0.00 0.00 0.00 0.00 179.25 178.61