#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 1.22 -3.60 1.34 4.77 -1.26 -4.92 117.00 114.55 3dpo n LEU 390 Ca 0.00 -0.42 -0.14 0.00 -0.03 0.00 0.00 56.01 55.41 3dpo n LEU 390 Cb 0.00 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 3dpo n LEU 390 CO 0.00 0.25 0.25 -1.48 -1.33 0.00 0.00 177.39 175.08 3dpo s LEU 391 N -2.72 0.04 0.19 2.23 2.34 -1.26 -5.16 118.68 114.33 3dpo s LEU 391 Ca 0.16 0.20 -0.23 0.00 0.06 0.00 0.00 54.13 54.31 3dpo s LEU 391 Cb 0.18 2.01 0.05 0.00 -0.56 0.00 0.00 46.19 47.87 3dpo s LEU 391 CO 0.66 -0.67 0.81 -1.48 -1.06 0.00 0.00 176.35 174.62 3dpo s LEU 392 N -1.82 -0.28 -0.04 1.48 0.05 -1.26 -5.15 118.68 111.66 3dpo s LEU 392 Ca -0.07 -0.40 -0.23 0.00 0.05 0.00 0.00 54.13 53.49 3dpo s LEU 392 Cb -0.01 2.43 -0.04 0.00 -2.05 0.00 0.00 46.19 46.52 3dpo s LEU 392 CO 0.00 -1.06 0.68 -1.81 -0.55 0.00 0.00 176.35 173.61 3dpo s ASP 393 N -2.86 7.01 0.16 1.48 1.01 -1.26 -5.05 116.67 117.15 3dpo s ASP 393 Ca 0.10 1.21 0.06 0.00 0.71 0.00 0.00 52.55 54.63 3dpo s ASP 393 Cb -0.03 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 3dpo s ASP 393 CO 0.01 -0.05 -0.13 0.68 0.21 0.00 0.00 175.17 175.89 3dpo s VAL 394 N 0.48 1.48 -0.04 -1.27 -7.23 -1.26 -1.77 120.40 110.78 3dpo s VAL 394 Ca 0.36 -2.03 -0.26 0.00 -1.81 0.00 0.00 61.98 58.24 3dpo s VAL 394 Cb -0.18 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 3dpo s VAL 394 CO 0.18 -0.58 0.80 0.28 -0.31 0.00 0.00 175.10 175.47 3dpo s THR 395 N -2.81 4.98 -0.90 5.32 -1.32 -0.61 -4.89 115.64 115.42 3dpo s THR 395 Ca 0.17 1.66 0.26 0.00 -1.21 0.00 0.00 61.69 62.56 3dpo s THR 395 Cb -0.01 -4.14 0.07 0.00 -1.51 0.00 0.00 72.50 66.91 3dpo s THR 395 CO 0.04 0.22 1.51 -0.81 -2.21 0.00 0.00 174.62 173.37 3dpo n PRO 396 N 3.79 0.09 -4.19 7.08 -0.04 -1.26 -0.60 135.00 139.87 3dpo n PRO 396 Ca 0.01 0.03 -0.14 0.00 -0.04 0.00 0.00 63.50 63.36 3dpo n PRO 396 Cb 0.51 -1.56 -0.11 0.00 -0.04 0.00 0.00 33.50 32.30 3dpo n PRO 396 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dpo s LEU 397 N -3.38 2.43 0.50 1.53 1.43 -1.26 -4.30 118.68 115.62 3dpo s LEU 397 Ca 0.10 -0.85 -0.23 0.00 -1.03 0.00 0.00 54.13 52.13 3dpo s LEU 397 Cb 0.17 -0.31 -0.07 0.00 0.03 0.00 0.00 46.19 46.00 3dpo s LEU 397 CO 0.67 -0.28 1.21 -1.20 0.23 0.00 0.00 176.35 176.98 3dpo n SER 398 N 0.43 2.08 -4.17 2.29 7.64 -1.26 -4.24 113.62 116.40 3dpo n SER 398 Ca -0.15 0.99 -0.27 0.00 1.01 0.00 0.00 58.87 60.45 3dpo n SER 398 Cb 0.58 -1.49 -0.16 0.00 -1.01 0.00 0.00 64.21 62.13 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 -2.21 1.96 0.00 -3.43 1.43 0.41 -0.64 118.68 116.20 3dpo s LEU 399 Ca 0.68 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 3dpo s LEU 399 Cb -0.46 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 44.70 3dpo s LEU 399 CO 0.53 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.89 3dpo n GLY 400 N 3.08 2.54 3.17 -3.19 0.00 -0.50 0.11 105.19 110.40 3dpo n GLY 400 Ca -0.18 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.04 0.50 0.08 -0.61 -4.36 -0.34 -0.86 121.20 113.56 3dpo s ILE 401 Ca 0.00 -1.92 -0.30 0.00 -0.26 0.00 0.00 60.65 58.17 3dpo s ILE 401 Cb 0.00 -1.84 -0.05 0.00 1.25 0.00 0.00 42.46 41.82 3dpo s ILE 401 CO 0.00 -0.71 0.96 -0.70 0.24 0.00 0.00 174.94 174.73 3dpo s GLU 402 N -3.91 4.65 0.49 0.37 -6.30 -1.08 -0.35 118.70 112.58 3dpo s GLU 402 Ca 0.17 1.44 0.03 0.00 -2.50 0.00 0.00 54.97 54.10 3dpo s GLU 402 Cb 0.06 -3.40 -0.02 0.00 0.00 0.00 0.00 34.13 30.77 3dpo s GLU 402 CO -0.02 0.13 0.05 0.95 0.02 0.00 0.00 175.26 176.39 3dpo s THR 403 N 0.31 1.40 -0.08 -1.70 -4.23 -0.22 -4.72 115.64 106.41 3dpo s THR 403 Ca 0.48 -1.94 -0.38 0.00 -1.18 0.00 0.00 61.69 58.68 3dpo s THR 403 Cb -0.23 -2.34 -0.15 0.00 1.34 0.00 0.00 72.50 71.12 3dpo s THR 403 CO 0.29 0.00 1.60 0.80 -0.54 0.00 0.00 174.62 176.78 3dpo n MET 404 N -1.26 1.39 0.00 3.99 1.56 -1.26 -1.62 117.12 119.92 3dpo n MET 404 Ca -0.14 0.51 0.00 0.00 -0.27 0.00 0.00 57.70 57.79 3dpo n MET 404 Cb 0.67 -2.21 0.00 0.00 2.15 0.00 0.00 33.22 33.83 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 3.55 0.64 1.01 -5.12 0.00 -1.26 -4.40 105.19 99.62 3dpo n GLY 405 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.99 1.07 3.74 -0.02 0.00 -0.64 -4.97 105.19 102.38 3dpo n GLY 406 Ca 0.00 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 3dpo n GLY 406 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dpo s VAL 407 N -2.17 4.31 -0.06 1.61 0.11 -1.12 -1.28 120.40 121.79 3dpo s VAL 407 Ca 0.00 -0.94 -0.19 0.00 -2.93 0.00 0.00 61.98 57.92 3dpo s VAL 407 Cb 0.00 -3.10 -0.05 0.00 -1.53 0.00 0.00 36.38 31.71 3dpo s VAL 407 CO 0.00 0.07 0.52 -0.32 -3.33 0.00 0.00 175.10 172.04 3dpo s MET 408 N -2.53 4.29 -0.23 1.54 1.75 -0.41 -1.06 119.30 122.66 3dpo s MET 408 Ca 0.28 0.57 0.00 0.00 -1.25 0.00 0.00 55.69 55.29 3dpo s MET 408 Cb -0.11 -3.38 0.03 0.00 2.84 0.00 0.00 34.83 34.21 3dpo s MET 408 CO 0.21 0.28 -0.12 0.99 -0.65 0.00 0.00 175.02 175.73 3dpo s THR 409 N 0.19 2.45 0.14 10.11 2.01 0.52 -4.93 115.64 126.13 3dpo s THR 409 Ca 0.28 -1.15 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 3dpo s THR 409 Cb -0.16 -2.23 -0.07 0.00 0.01 0.00 0.00 72.50 70.04 3dpo s THR 409 CO 0.13 0.24 1.07 -0.89 -0.69 0.00 0.00 174.62 174.49 3dpo s THR 410 N 1.26 4.07 -0.18 -0.82 2.01 -1.26 -1.20 115.64 119.52 3dpo s THR 410 Ca -0.01 1.73 0.03 0.00 0.31 0.00 0.00 61.69 63.76 3dpo s THR 410 Cb -0.16 -4.10 -0.13 0.00 0.01 0.00 0.00 72.50 68.11 3dpo s THR 410 CO -0.07 0.27 -0.13 0.18 -0.69 0.00 0.00 174.62 174.18 3dpo n LEU 411 N 2.67 2.51 -4.00 4.42 7.99 0.12 -4.92 117.00 125.77 3dpo n LEU 411 Ca 0.03 -0.08 -0.30 0.00 -0.01 0.00 0.00 56.01 55.65 3dpo n LEU 411 Cb 0.47 -0.48 -0.16 0.00 -0.11 0.00 0.00 43.42 43.14 3dpo n LEU 411 CO 0.53 0.74 -0.47 -0.63 -1.51 0.00 0.00 177.39 176.05 3dpo s ILE 412 N -2.36 1.63 0.58 -0.08 1.01 -0.28 -4.83 121.20 116.87 3dpo s ILE 412 Ca -0.22 -0.91 -0.19 0.00 0.00 0.00 0.00 60.65 59.33 3dpo s ILE 412 Cb 0.06 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 3dpo s ILE 412 CO 0.45 0.25 1.19 0.00 0.00 0.00 0.00 174.94 176.83 3dpo s ALA 413 N 1.42 2.59 0.32 9.38 0.00 -1.26 -0.44 121.76 133.76 3dpo s ALA 413 Ca 0.00 0.97 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 3dpo s ALA 413 Cb -0.15 -3.43 -0.12 0.00 0.00 0.00 0.00 23.12 19.41 3dpo s ALA 413 CO -0.09 -1.07 1.36 0.36 0.00 0.00 0.00 175.76 176.32 3dpo n LYS 414 N -1.51 2.21 -1.11 0.00 2.85 -1.26 -2.51 118.16 116.84 3dpo n LYS 414 Ca 0.13 0.78 -0.04 0.00 -1.05 0.00 0.00 58.31 58.13 3dpo n LYS 414 Cb 0.50 -2.41 -0.02 0.00 -0.65 0.00 0.00 35.03 32.46 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 1.12 -3.74 -4.75 -5.58 5.03 0.23 -4.88 115.26 102.68 3dpo n ASN 415 Ca 0.06 0.09 -0.41 0.00 0.87 0.00 0.00 54.58 55.19 3dpo n ASN 415 Cb 0.35 -1.57 -0.02 0.00 -1.02 0.00 0.00 39.78 37.52 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 -2.04 2.60 0.44 3.41 2.01 -1.04 -4.76 115.64 116.25 3dpo s THR 416 Ca 0.00 0.52 -0.24 0.00 0.31 0.00 0.00 61.69 62.28 3dpo s THR 416 Cb 0.00 -3.33 -0.08 0.00 0.01 0.00 0.00 72.50 69.10 3dpo s THR 416 CO 0.00 0.09 1.19 0.42 -0.69 0.00 0.00 174.62 175.63 3dpo s THR 417 N -0.20 3.00 0.11 -0.82 -4.23 -1.26 -1.57 115.64 110.67 3dpo s THR 417 Ca 0.58 0.79 0.09 0.00 -1.18 0.00 0.00 61.69 61.97 3dpo s THR 417 Cb -0.42 -3.42 -0.04 0.00 1.34 0.00 0.00 72.50 69.96 3dpo s THR 417 CO 0.46 0.03 -0.19 0.27 -0.54 0.00 0.00 174.62 174.64 3dpo s ILE 418 N -1.46 2.75 0.80 2.99 -4.36 -0.73 -4.19 121.20 117.00 3dpo s ILE 418 Ca 0.62 -1.50 -0.11 0.00 -0.26 0.00 0.00 60.65 59.40 3dpo s ILE 418 Cb -0.31 -2.24 0.07 0.00 1.25 0.00 0.00 42.46 41.23 3dpo s ILE 418 CO 0.38 0.13 1.10 -2.16 0.24 0.00 0.00 174.94 174.62 3dpo s PRO 419 N -2.04 2.05 0.06 0.37 0.04 -1.26 -4.73 135.00 129.49 3dpo s PRO 419 Ca 0.17 1.17 -0.23 0.00 0.04 0.00 0.00 61.00 62.15 3dpo s PRO 419 Cb -0.10 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.62 3dpo s PRO 419 CO 0.09 -1.79 0.54 -0.08 0.04 0.00 0.00 177.00 175.80 3dpo s THR 420 N -2.88 0.03 -0.04 1.26 -1.32 -0.49 -5.00 115.64 107.19 3dpo s THR 420 Ca 0.62 -0.21 -0.02 0.00 -1.21 0.00 0.00 61.69 60.87 3dpo s THR 420 Cb -0.18 -0.99 0.02 0.00 -1.51 0.00 0.00 72.50 69.84 3dpo s THR 420 CO 0.56 -0.11 0.09 -0.75 -2.21 0.00 0.00 174.62 172.20 3dpo s LYS 421 N -2.59 0.08 -0.09 7.08 2.20 -1.26 -0.39 119.74 124.77 3dpo s LYS 421 Ca -0.04 0.19 -0.12 0.00 -0.36 0.00 0.00 55.97 55.64 3dpo s LYS 421 Cb -0.01 -0.06 0.03 0.00 -1.51 0.00 0.00 37.83 36.29 3dpo s LYS 421 CO -0.03 -0.07 0.31 -1.58 -0.36 0.00 0.00 175.35 173.62 3dpo s HIS 422 N 0.49 -0.29 0.05 4.03 2.46 -0.14 -5.01 115.29 116.87 3dpo s HIS 422 Ca -0.04 0.67 0.06 0.00 0.47 0.00 0.00 55.06 56.22 3dpo s HIS 422 Cb -0.05 0.11 -0.02 0.00 -0.13 0.00 0.00 32.58 32.48 3dpo s HIS 422 CO -0.02 -0.24 -0.17 -1.12 -2.47 0.00 0.00 174.74 170.72 3dpo s SER 423 N -0.30 2.03 -0.14 9.88 0.01 -1.26 -0.77 113.70 123.14 3dpo s SER 423 Ca -0.04 -0.50 -0.16 0.00 1.31 0.00 0.00 55.95 56.56 3dpo s SER 423 Cb -0.03 -0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.09 3dpo s SER 423 CO 0.02 0.08 0.43 -1.58 0.41 0.00 0.00 173.24 172.60 3dpo s GLN 424 N -1.21 0.54 -0.01 12.44 0.74 0.47 -4.97 119.66 127.66 3dpo s GLN 424 Ca 0.04 0.51 -0.22 0.00 0.05 0.00 0.00 55.36 55.74 3dpo s GLN 424 Cb -0.08 0.26 -0.05 0.00 1.10 0.00 0.00 33.01 34.24 3dpo s GLN 424 CO 0.02 -0.08 0.66 0.08 -0.55 0.00 0.00 175.29 175.41 3dpo s VAL 425 N 0.03 4.90 0.32 1.34 1.01 -1.26 -0.81 120.40 125.91 3dpo s VAL 425 Ca -0.02 1.38 0.08 0.00 0.00 0.00 0.00 61.98 63.42 3dpo s VAL 425 Cb -0.03 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 3dpo s VAL 425 CO 0.01 0.37 -0.07 -0.36 0.00 0.00 0.00 175.10 175.05 3dpo s PHE 426 N 0.07 2.19 0.00 5.22 0.40 0.20 -4.95 117.98 121.11 3dpo s PHE 426 Ca 0.34 -0.61 0.00 0.00 -0.60 0.00 0.00 56.93 56.06 3dpo s PHE 426 Cb -0.19 -1.26 0.00 0.00 0.51 0.00 0.00 43.02 42.08 3dpo s PHE 426 CO 0.19 0.43 0.00 0.45 0.70 0.00 0.00 175.22 176.98 3dpo n SER 427 N -0.70 0.91 -4.86 1.36 2.88 -1.26 -0.18 113.62 111.78 3dpo n SER 427 Ca -0.05 -0.05 -0.35 0.00 -1.33 0.00 0.00 58.87 57.09 3dpo n SER 427 Cb 0.64 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.04 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 -0.17 5.28 0.21 2.46 -4.23 -1.26 -4.93 115.64 113.00 3dpo s THR 428 Ca 0.00 -0.07 -0.00 0.00 -1.18 0.00 0.00 61.69 60.44 3dpo s THR 428 Cb 0.00 -3.38 -0.05 0.00 1.34 0.00 0.00 72.50 70.41 3dpo s THR 428 CO 0.00 0.45 1.53 0.00 -0.54 0.00 0.00 174.62 176.07 3dpo h ALA 429 N 4.36 0.77 -2.32 3.99 0.00 -1.97 -2.96 119.26 121.13 3dpo h ALA 429 Ca -0.51 -0.52 -0.20 0.00 0.00 0.00 0.00 54.91 53.68 3dpo h ALA 429 Cb 1.20 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 3dpo h ALA 429 CO 0.63 0.70 -0.67 -1.21 0.00 0.00 0.00 179.25 178.70 3dpo s GLU 430 N -3.92 0.88 0.49 0.00 0.41 -1.26 -4.90 118.70 110.39 3dpo s GLU 430 Ca -0.06 -1.39 -0.24 0.00 -0.41 0.00 0.00 54.97 52.87 3dpo s GLU 430 Cb 0.12 0.06 -0.07 0.00 -1.78 0.00 0.00 34.13 32.46 3dpo s GLU 430 CO 0.82 -0.16 1.41 -0.51 -0.49 0.00 0.00 175.26 176.33 3dpo s ASP 431 N -3.04 5.63 -1.32 -0.19 1.01 -1.26 -3.35 116.67 114.13 3dpo s ASP 431 Ca 0.18 2.87 0.00 0.00 0.71 0.00 0.00 52.55 56.32 3dpo s ASP 431 Cb 0.07 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.35 3dpo s ASP 431 CO -0.01 -1.34 0.00 0.59 0.21 0.00 0.00 175.17 174.61 3dpo n ASN 432 N -0.52 -4.46 -4.67 0.27 3.02 0.20 -4.88 115.26 104.23 3dpo n ASN 432 Ca 0.07 0.17 -0.42 0.00 -0.03 0.00 0.00 54.58 54.38 3dpo n ASN 432 Cb 0.43 -3.39 -0.04 0.00 -0.61 0.00 0.00 39.78 36.17 3dpo n ASN 432 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3dpo s GLN 433 N -3.89 4.30 0.00 3.52 0.74 -1.21 -4.72 119.66 118.40 3dpo s GLN 433 Ca 0.00 1.10 0.16 0.00 0.05 0.00 0.00 55.36 56.67 3dpo s GLN 433 Cb 0.00 -3.58 0.07 0.00 1.10 0.00 0.00 33.01 30.60 3dpo s GLN 433 CO 0.00 -0.38 0.94 0.45 -0.55 0.00 0.00 175.29 175.75 3dpo n SER 434 N 5.41 2.03 -3.70 6.67 2.88 -1.26 -4.57 113.62 121.09 3dpo n SER 434 Ca 0.06 -1.52 -0.14 0.00 -1.33 0.00 0.00 58.87 55.94 3dpo n SER 434 Cb 0.48 0.20 -0.08 0.00 -0.75 0.00 0.00 64.21 64.07 3dpo n SER 434 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dpo s ALA 435 N -1.58 -1.06 0.15 -1.46 0.00 -1.26 -1.67 121.76 114.88 3dpo s ALA 435 Ca 0.16 0.71 0.08 0.00 0.00 0.00 0.00 51.96 52.92 3dpo s ALA 435 Cb 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 3dpo s ALA 435 CO 0.29 -0.28 -0.17 0.14 0.00 0.00 0.00 175.76 175.74 3dpo s VAL 436 N -1.02 1.72 -0.16 0.00 -7.23 -0.44 -4.99 120.40 108.29 3dpo s VAL 436 Ca -0.11 -1.87 -0.04 0.00 -1.81 0.00 0.00 61.98 58.15 3dpo s VAL 436 Cb -0.04 -1.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 3dpo s VAL 436 CO 0.05 -0.33 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.61 3dpo s THR 437 N -2.05 4.16 -0.48 5.32 2.01 -1.26 -0.79 115.64 122.56 3dpo s THR 437 Ca 0.14 -0.26 -0.13 0.00 0.31 0.00 0.00 61.69 61.75 3dpo s THR 437 Cb -0.06 -2.83 0.10 0.00 0.01 0.00 0.00 72.50 69.72 3dpo s THR 437 CO 0.06 0.50 0.38 -0.63 -0.69 0.00 0.00 174.62 174.24 3dpo s ILE 438 N 0.25 4.77 -0.30 1.82 -1.09 -0.04 -4.93 121.20 121.67 3dpo s ILE 438 Ca -0.01 -1.43 -0.18 0.00 -2.23 0.00 0.00 60.65 56.80 3dpo s ILE 438 Cb -0.13 -3.99 -0.02 0.00 -1.58 0.00 0.00 42.46 36.74 3dpo s ILE 438 CO 0.02 -0.69 0.51 -1.00 -1.23 0.00 0.00 174.94 172.55 3dpo s HIS 439 N 1.52 3.22 -0.21 3.97 3.76 -1.26 -2.06 115.29 124.23 3dpo s HIS 439 Ca 0.04 0.43 -0.14 0.00 -0.15 0.00 0.00 55.06 55.24 3dpo s HIS 439 Cb -0.26 -2.82 -0.04 0.00 1.11 0.00 0.00 32.58 30.57 3dpo s HIS 439 CO 0.03 -0.40 0.33 0.08 -0.85 0.00 0.00 174.74 173.93 3dpo s VAL 440 N 2.36 5.24 0.07 -0.90 1.01 0.11 -2.62 120.40 125.66 3dpo s VAL 440 Ca 0.20 0.57 0.06 0.00 0.00 0.00 0.00 61.98 62.81 3dpo s VAL 440 Cb -0.15 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 3dpo s VAL 440 CO 0.11 0.28 -0.16 -0.76 0.00 0.00 0.00 175.10 174.57 3dpo s LEU 441 N 1.20 2.24 -0.11 3.92 1.43 -0.04 -0.45 118.68 126.86 3dpo s LEU 441 Ca 0.16 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 3dpo s LEU 441 Cb -0.14 -0.67 0.01 0.00 0.03 0.00 0.00 46.19 45.42 3dpo s LEU 441 CO 0.07 0.01 -0.17 -1.58 0.23 0.00 0.00 176.35 174.91 3dpo s GLN 442 N -1.54 2.43 0.00 1.70 0.74 0.50 -1.42 119.66 122.07 3dpo s GLN 442 Ca 0.02 -0.64 0.00 0.00 0.05 0.00 0.00 55.36 54.79 3dpo s GLN 442 Cb -0.09 -2.02 0.00 0.00 1.10 0.00 0.00 33.01 32.00 3dpo s GLN 442 CO 0.02 -0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.14 3dpo n GLY 443 N 4.12 -0.43 0.25 2.59 0.00 0.19 -0.66 105.19 111.25 3dpo n GLY 443 Ca -0.19 -1.69 0.03 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.31 1.34 -3.41 1.61 -0.58 -1.26 -4.03 120.64 112.99 3dpo n GLU 444 Ca 0.00 -1.28 -0.35 0.00 -0.42 0.00 0.00 57.16 55.11 3dpo n GLU 444 Cb 0.00 -1.11 -0.06 0.00 -0.57 0.00 0.00 31.44 29.70 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 -0.72 3.92 0.22 3.49 1.81 -1.26 -4.90 118.95 121.51 3dpo s ARG 445 Ca 0.08 0.40 0.11 0.00 -1.72 0.00 0.00 55.73 54.60 3dpo s ARG 445 Cb 0.05 -2.93 0.11 0.00 -0.45 0.00 0.00 34.95 31.73 3dpo s ARG 445 CO 0.07 0.49 1.46 0.87 -0.68 0.00 0.00 175.30 177.51 3dpo h LYS 446 N 3.54 0.00 -6.01 3.54 1.79 -1.92 -3.42 116.57 114.09 3dpo h LYS 446 Ca -0.49 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.40 3dpo h LYS 446 Cb 1.19 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.77 3dpo h LYS 446 CO 0.66 0.74 0.69 1.03 -1.08 0.00 0.00 179.45 181.49 3dpo s ARG 447 N -3.13 4.20 0.33 3.15 0.52 -1.26 -1.29 118.95 121.47 3dpo s ARG 447 Ca 0.01 1.16 0.06 0.00 -0.52 0.00 0.00 55.73 56.43 3dpo s ARG 447 Cb 0.11 -3.66 0.71 0.00 0.52 0.00 0.00 34.95 32.63 3dpo s ARG 447 CO 0.78 -0.64 1.88 0.00 0.02 0.00 0.00 175.30 177.34 3dpo h ALA 448 N 7.64 1.71 0.00 2.13 0.00 -1.43 0.98 119.26 130.28 3dpo h ALA 448 Ca -0.21 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3dpo h ALA 448 Cb 1.07 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3dpo h ALA 448 CO 0.95 0.08 0.00 0.00 0.00 0.00 0.00 179.25 180.28 3dpo h ALA 449 N 1.57 1.00 0.00 0.00 0.00 -1.91 -1.27 119.26 118.65 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 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3dpo h ALA 449 CO -0.19 0.00 -0.61 -0.25 0.00 0.00 0.00 179.25 178.20 3dpo n ASP 450 N -2.61 0.59 -4.99 0.00 8.00 0.34 -4.88 116.55 113.00 3dpo n ASP 450 Ca -0.01 -0.33 -0.20 0.00 0.71 0.00 0.00 54.79 54.97 3dpo n ASP 450 Cb 0.13 0.38 0.03 0.00 -0.02 0.00 0.00 41.12 41.64 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 -3.13 5.42 -0.21 -2.24 0.01 -0.48 -4.87 114.94 109.43 3dpo s ASN 451 Ca 0.10 -0.15 -0.22 0.00 -0.71 0.00 0.00 52.86 51.87 3dpo s ASN 451 Cb 0.17 -0.80 -0.02 0.00 0.41 0.00 0.00 41.25 41.01 3dpo s ASN 451 CO 0.73 -1.00 0.71 -0.75 -1.51 0.00 0.00 177.10 175.28 3dpo s LYS 452 N -4.61 4.21 -0.01 -0.60 2.47 0.17 -4.86 119.74 116.50 3dpo s LYS 452 Ca 0.56 0.75 -0.30 0.00 -1.56 0.00 0.00 55.97 55.43 3dpo s LYS 452 Cb -0.10 -3.60 -0.05 0.00 -1.46 0.00 0.00 37.83 32.62 3dpo s LYS 452 CO 0.36 -0.33 1.27 0.45 0.16 0.00 0.00 175.35 177.26 3dpo s SER 453 N 1.26 6.98 -0.01 1.43 0.15 -1.26 -0.37 113.70 121.88 3dpo s SER 453 Ca 0.32 1.96 0.16 0.00 0.70 0.00 0.00 55.95 59.09 3dpo s SER 453 Cb -0.16 -2.56 -0.20 0.00 -1.71 0.00 0.00 66.02 61.39 3dpo s SER 453 CO 0.10 -0.61 0.57 0.18 1.20 0.00 0.00 173.24 174.68 3dpo n LEU 454 N 4.97 0.50 0.00 3.45 4.77 0.40 -4.90 117.00 126.19 3dpo n LEU 454 Ca 0.11 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3dpo n LEU 454 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3dpo n LEU 454 CO 0.56 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 3dpo n GLY 455 N 1.44 2.97 3.64 -0.72 0.00 -1.21 -4.97 105.19 106.34 3dpo n GLY 455 Ca 0.01 -1.36 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.14 1.54 0.02 1.61 -2.07 -1.26 0.04 119.66 117.41 3dpo s GLN 456 Ca 0.00 -0.94 -0.27 0.00 -1.82 0.00 0.00 55.36 52.33 3dpo s GLN 456 Cb 0.00 0.55 0.08 0.00 -1.09 0.00 0.00 33.01 32.55 3dpo s GLN 456 CO 0.00 -0.67 0.73 -0.59 -1.32 0.00 0.00 175.29 173.44 3dpo s PHE 457 N -3.90 -0.52 0.11 9.60 -0.71 -0.88 -5.03 117.98 116.65 3dpo s PHE 457 Ca 0.11 0.59 0.03 0.00 -1.04 0.00 0.00 56.93 56.62 3dpo s PHE 457 Cb -0.03 0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 42.24 3dpo s PHE 457 CO 0.02 -0.65 0.15 -0.80 -1.34 0.00 0.00 175.22 172.59 3dpo s ASN 458 N -2.02 5.81 -0.24 1.98 0.02 -1.26 -0.86 114.94 118.36 3dpo s ASN 458 Ca -0.02 0.04 0.02 0.00 -1.02 0.00 0.00 52.86 51.88 3dpo s ASN 458 Cb -0.01 -1.63 0.05 0.00 0.02 0.00 0.00 41.25 39.69 3dpo s ASN 458 CO -0.03 0.13 -0.12 -0.22 0.02 0.00 0.00 177.10 176.87 3dpo s LEU 459 N -2.71 3.08 0.50 0.60 2.96 0.03 -4.86 118.68 118.29 3dpo s LEU 459 Ca 0.32 -1.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.06 3dpo s LEU 459 Cb -0.12 -1.49 0.00 0.00 0.50 0.00 0.00 46.19 45.08 3dpo s LEU 459 CO 0.24 -0.16 0.27 -1.81 -1.32 0.00 0.00 176.35 173.58 3dpo s ASP 460 N 1.17 4.51 0.00 3.68 -0.00 -1.26 -1.32 116.67 123.45 3dpo s ASP 460 Ca -0.06 -1.26 0.00 0.00 -0.00 0.00 0.00 52.55 51.23 3dpo s ASP 460 Cb -0.18 0.16 0.00 0.00 -0.00 0.00 0.00 42.92 42.90 3dpo s ASP 460 CO -0.07 -0.89 0.00 0.61 -0.00 0.00 0.00 175.17 174.82 3dpo n GLY 461 N -1.53 0.49 3.74 0.21 0.00 -0.96 -4.92 105.19 102.23 3dpo n GLY 461 Ca -0.05 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.00 3.19 0.02 -0.61 1.01 -0.67 -4.95 121.20 117.19 3dpo s ILE 462 Ca 0.00 1.02 -0.30 0.00 0.00 0.00 0.00 60.65 61.36 3dpo s ILE 462 Cb 0.00 -3.65 -0.06 0.00 0.01 0.00 0.00 42.46 38.76 3dpo s ILE 462 CO 0.00 0.17 1.49 0.21 0.00 0.00 0.00 174.94 176.81 3dpo s ASN 463 N 0.16 6.76 0.10 3.58 3.04 -1.26 -4.38 114.94 122.94 3dpo s ASN 463 Ca 0.55 2.24 -0.31 0.00 0.04 0.00 0.00 52.86 55.38 3dpo s ASN 463 Cb -0.36 -2.56 -0.09 0.00 -1.54 0.00 0.00 41.25 36.69 3dpo s ASN 463 CO 0.40 -0.78 1.72 -2.84 -3.04 0.00 0.00 177.10 172.56 3dpo s PRO 464 N 2.52 4.17 0.23 0.43 0.02 -1.26 -4.87 135.00 136.24 3dpo s PRO 464 Ca 0.67 2.45 -0.08 0.00 0.02 0.00 0.00 61.00 64.06 3dpo s PRO 464 Cb -0.34 -3.55 -0.02 0.00 0.02 0.00 0.00 34.50 30.61 3dpo s PRO 464 CO 0.28 -0.77 0.35 0.00 -0.33 0.00 0.00 177.00 176.53 3dpo s ALA 465 N 2.54 0.29 0.41 -1.55 0.00 -1.26 -4.81 121.76 117.37 3dpo s ALA 465 Ca 0.76 -1.19 -0.26 0.00 0.00 0.00 0.00 51.96 51.27 3dpo s ALA 465 Cb -0.43 1.19 -0.10 0.00 0.00 0.00 0.00 23.12 23.78 3dpo s ALA 465 CO 0.34 -0.75 1.38 -2.30 0.00 0.00 0.00 175.76 174.42 3dpo n PRO 466 N -0.34 2.25 -1.64 0.00 -0.02 -1.26 0.62 135.00 134.61 3dpo n PRO 466 Ca -0.00 0.80 -0.46 0.00 -2.02 0.00 0.00 63.50 61.82 3dpo n PRO 466 Cb 0.63 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 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 0.15 1.77 0.00 -0.52 1.85 -1.26 -1.42 116.66 117.23 3dpo n ARG 467 Ca 0.04 0.63 0.00 0.00 -1.00 0.00 0.00 57.85 57.52 3dpo n ARG 467 Cb 0.39 -2.24 0.00 0.00 -1.05 0.00 0.00 32.46 29.57 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 2.10 1.16 0.07 2.89 0.00 -1.12 -4.93 105.19 105.36 3dpo n GLY 468 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 3dpo n GLY 468 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3dpo h MET 469 N 3.44 -0.02 -6.90 1.61 4.05 -1.56 -3.46 114.93 112.09 3dpo h MET 469 Ca 0.00 0.00 -0.56 0.00 -0.28 0.00 0.00 59.70 58.86 3dpo h MET 469 Cb 0.00 0.00 0.14 0.00 -0.80 0.00 0.00 31.60 30.95 3dpo h MET 469 CO 0.00 0.75 0.42 -2.30 0.23 0.00 0.00 176.91 176.00 3dpo n PRO 470 N -4.68 1.50 -3.90 0.39 -0.02 -1.26 -4.96 135.00 122.08 3dpo n PRO 470 Ca -0.08 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.62 3dpo n PRO 470 Cb 0.37 -2.38 -0.13 0.00 -0.02 0.00 0.00 33.50 31.34 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 -2.63 1.93 -0.43 -0.52 -1.52 -1.26 -4.16 119.66 111.07 3dpo s GLN 471 Ca 0.70 -2.21 -0.15 0.00 -1.95 0.00 0.00 55.36 51.75 3dpo s GLN 471 Cb -0.45 -3.41 0.04 0.00 -0.22 0.00 0.00 33.01 28.97 3dpo s GLN 471 CO 0.51 -1.06 0.32 0.42 -0.25 0.00 0.00 175.29 175.23 3dpo s ILE 472 N 0.41 5.16 -0.24 1.08 1.01 0.75 -1.79 121.20 127.58 3dpo s ILE 472 Ca 0.13 -0.83 -0.26 0.00 0.00 0.00 0.00 60.65 59.70 3dpo s ILE 472 Cb -0.22 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.30 3dpo s ILE 472 CO -0.04 -0.39 0.90 -0.70 0.00 0.00 0.00 174.94 174.71 3dpo s GLU 473 N 1.65 4.20 -0.18 2.79 2.56 0.38 -0.63 118.70 129.47 3dpo s GLU 473 Ca 0.04 1.08 -0.02 0.00 0.00 0.00 0.00 54.97 56.07 3dpo s GLU 473 Cb -0.21 -3.65 -0.01 0.00 2.00 0.00 0.00 34.13 32.27 3dpo s GLU 473 CO 0.08 -0.57 -0.09 0.08 -0.56 0.00 0.00 175.26 174.20 3dpo s VAL 474 N 2.99 3.09 -0.12 3.70 1.01 0.01 -1.22 120.40 129.86 3dpo s VAL 474 Ca 0.38 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.79 3dpo s VAL 474 Cb -0.15 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.88 3dpo s VAL 474 CO 0.07 0.47 -0.23 -0.89 0.00 0.00 0.00 175.10 174.53 3dpo s THR 475 N 1.06 2.08 -0.20 3.92 2.01 0.16 -0.39 115.64 124.29 3dpo s THR 475 Ca 0.00 -1.00 -0.04 0.00 0.31 0.00 0.00 61.69 60.96 3dpo s THR 475 Cb -0.15 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.54 3dpo s THR 475 CO -0.02 0.56 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.08 3dpo s PHE 476 N 0.51 3.00 -0.11 4.92 0.40 0.05 -1.42 117.98 125.33 3dpo s PHE 476 Ca -0.15 -0.58 -0.01 0.00 -0.60 0.00 0.00 56.93 55.60 3dpo s PHE 476 Cb -0.17 -2.06 0.03 0.00 0.51 0.00 0.00 43.02 41.33 3dpo s PHE 476 CO 0.05 -0.30 -0.07 0.34 0.70 0.00 0.00 175.22 175.94 3dpo s ASP 477 N 1.01 2.11 -0.24 1.36 2.15 0.38 -0.97 116.67 122.47 3dpo s ASP 477 Ca 0.01 -0.28 -0.07 0.00 0.43 0.00 0.00 52.55 52.65 3dpo s ASP 477 Cb -0.14 -0.79 -0.03 0.00 -0.30 0.00 0.00 42.92 41.65 3dpo s ASP 477 CO 0.01 -0.13 0.05 -0.63 -0.17 0.00 0.00 175.17 174.30 3dpo s ILE 478 N 1.73 4.18 0.89 4.11 1.01 0.48 0.21 121.20 133.81 3dpo s ILE 478 Ca 0.05 -0.22 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 3dpo s ILE 478 Cb -0.13 -2.95 0.20 0.00 0.01 0.00 0.00 42.46 39.60 3dpo s ILE 478 CO -0.08 0.36 1.21 -0.90 0.00 0.00 0.00 174.94 175.53 3dpo n ASP 479 N 4.83 0.30 0.29 3.58 5.68 -0.44 -1.40 116.55 129.39 3dpo n ASP 479 Ca -0.16 -1.56 0.18 0.00 -0.50 0.00 0.00 54.79 52.75 3dpo n ASP 479 Cb 0.51 -0.91 0.84 0.00 -1.14 0.00 0.00 41.12 40.43 3dpo n ASP 479 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dpo h ALA 480 N -1.60 1.02 -0.26 2.12 0.00 -1.91 -0.81 119.26 117.82 3dpo h ALA 480 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3dpo h ALA 480 Cb 1.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3dpo h ALA 480 CO 0.30 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 179.32 3dpo n ASP 481 N -3.14 2.69 0.00 0.00 8.00 -1.26 -4.86 116.55 117.98 3dpo n ASP 481 Ca -0.01 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.62 3dpo n ASP 481 Cb 0.24 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 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 1.34 0.70 3.70 0.44 0.00 -0.31 -4.72 105.19 106.35 3dpo n GLY 482 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.29 4.52 -0.26 -0.61 1.01 -1.26 -3.87 121.20 118.45 3dpo s ILE 483 Ca 0.00 1.81 -0.11 0.00 0.00 0.00 0.00 60.65 62.35 3dpo s ILE 483 Cb 0.00 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 3dpo s ILE 483 CO 0.00 0.09 0.19 -0.22 0.00 0.00 0.00 174.94 175.00 3dpo s LEU 484 N 1.40 4.08 -0.20 2.97 2.96 0.00 -1.33 118.68 128.57 3dpo s LEU 484 Ca 0.54 0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 54.49 3dpo s LEU 484 Cb -0.23 -2.14 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 3dpo s LEU 484 CO 0.26 0.00 -0.02 -1.00 -1.32 0.00 0.00 176.35 174.27 3dpo s HIS 485 N 1.38 3.00 -0.13 5.38 3.76 0.13 -0.24 115.29 128.58 3dpo s HIS 485 Ca 0.08 -0.56 0.03 0.00 -0.15 0.00 0.00 55.06 54.46 3dpo s HIS 485 Cb -0.15 -2.06 0.01 0.00 1.11 0.00 0.00 32.58 31.49 3dpo s HIS 485 CO 0.07 -0.29 -0.22 0.08 -0.85 0.00 0.00 174.74 173.53 3dpo s VAL 486 N 1.01 2.12 0.08 -0.90 1.01 -0.69 -0.47 120.40 122.56 3dpo s VAL 486 Ca 0.01 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.06 3dpo s VAL 486 Cb -0.14 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 3dpo s VAL 486 CO 0.01 0.55 -0.12 -0.94 0.00 0.00 0.00 175.10 174.60 3dpo s SER 487 N 0.63 1.54 -0.05 3.32 1.04 -0.51 -0.90 113.70 118.77 3dpo s SER 487 Ca -0.11 -0.66 0.02 0.00 0.48 0.00 0.00 55.95 55.67 3dpo s SER 487 Cb -0.16 -0.03 0.02 0.00 0.10 0.00 0.00 66.02 65.94 3dpo s SER 487 CO 0.02 -0.14 -0.09 0.00 0.98 0.00 0.00 173.24 174.01 3dpo s ALA 488 N -1.59 1.03 -0.07 5.32 0.00 -0.31 -0.66 121.76 125.47 3dpo s ALA 488 Ca -0.01 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.68 3dpo s ALA 488 Cb -0.08 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.56 3dpo s ALA 488 CO 0.02 0.08 -0.09 0.21 0.00 0.00 0.00 175.76 175.97 3dpo s LYS 489 N 0.70 1.46 -0.39 0.00 2.20 -0.36 -1.49 119.74 121.87 3dpo s LYS 489 Ca -0.13 -0.30 -0.27 0.00 -0.36 0.00 0.00 55.97 54.91 3dpo s LYS 489 Cb -0.15 -1.33 0.02 0.00 -1.51 0.00 0.00 37.83 34.86 3dpo s LYS 489 CO 0.02 -0.08 0.99 0.34 -0.36 0.00 0.00 175.35 176.27 3dpo s ASP 490 N 1.01 6.71 0.41 1.43 2.15 0.04 -0.47 116.67 127.95 3dpo s ASP 490 Ca -0.09 0.62 0.09 0.00 0.43 0.00 0.00 52.55 53.60 3dpo s ASP 490 Cb -0.15 -2.49 0.87 0.00 -0.30 0.00 0.00 42.92 40.85 3dpo s ASP 490 CO -0.00 -0.95 2.00 0.11 -0.17 0.00 0.00 175.17 176.16 3dpo h LYS 491 N 8.58 0.35 0.14 4.34 1.57 -1.67 0.41 116.57 130.29 3dpo h LYS 491 Ca -0.23 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 3dpo h LYS 491 Cb 1.07 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.32 3dpo h LYS 491 CO 1.02 0.33 -0.07 -0.97 -0.57 0.00 0.00 179.45 179.19 3dpo h ASN 492 N 0.35 -0.16 1.10 0.86 -1.24 -1.92 -3.31 115.58 111.25 3dpo h ASN 492 Ca 0.08 -0.37 0.00 0.00 0.71 0.00 0.00 56.30 56.72 3dpo h ASN 492 Cb 0.14 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.23 3dpo h ASN 492 CO -0.00 0.35 -0.69 0.77 -1.29 0.00 0.00 177.43 176.56 3dpo h SER 493 N -0.73 0.00 0.00 1.15 4.64 -1.91 -3.47 113.55 113.23 3dpo h SER 493 Ca -0.02 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3dpo h SER 493 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3dpo h SER 493 CO 0.03 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 3dpo n GLY 494 N 1.23 0.47 3.74 -0.77 0.00 0.14 -4.98 105.19 105.03 3dpo n GLY 494 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.57 4.24 0.03 1.61 1.02 -1.21 -4.77 119.74 120.09 3dpo s LYS 495 Ca 0.00 2.34 0.01 0.00 0.02 0.00 0.00 55.97 58.34 3dpo s LYS 495 Cb 0.00 -3.11 -0.02 0.00 -0.52 0.00 0.00 37.83 34.18 3dpo s LYS 495 CO 0.00 -0.48 -0.05 -2.00 -0.92 0.00 0.00 175.35 171.91 3dpo s GLU 496 N -0.12 0.42 0.04 1.68 2.12 -1.26 -0.78 118.70 120.80 3dpo s GLU 496 Ca 0.62 -0.74 -0.10 0.00 0.36 0.00 0.00 54.97 55.11 3dpo s GLU 496 Cb -0.43 -0.01 0.01 0.00 0.26 0.00 0.00 34.13 33.96 3dpo s GLU 496 CO 0.42 -0.02 0.21 -1.14 -0.54 0.00 0.00 175.26 174.18 3dpo s GLN 497 N -1.82 0.71 0.09 4.30 2.00 -0.56 -5.02 119.66 119.36 3dpo s GLN 497 Ca -0.11 -0.61 -0.20 0.00 -2.00 0.00 0.00 55.36 52.44 3dpo s GLN 497 Cb -0.08 0.30 0.05 0.00 0.80 0.00 0.00 33.01 34.08 3dpo s GLN 497 CO -0.02 -0.21 0.50 -1.59 -0.50 0.00 0.00 175.29 173.47 3dpo s LYS 498 N -2.54 1.08 0.11 1.67 -2.85 -1.26 -1.16 119.74 114.78 3dpo s LYS 498 Ca -0.05 -0.41 0.01 0.00 -1.00 0.00 0.00 55.97 54.51 3dpo s LYS 498 Cb -0.01 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.21 3dpo s LYS 498 CO -0.04 -0.42 -0.02 0.96 0.10 0.00 0.00 175.35 175.94 3dpo s ILE 499 N -3.05 0.45 -0.11 3.79 -4.36 -0.08 -5.01 121.20 112.83 3dpo s ILE 499 Ca -0.02 -1.91 0.03 0.00 -0.26 0.00 0.00 60.65 58.50 3dpo s ILE 499 Cb -0.00 -1.79 -0.00 0.00 1.25 0.00 0.00 42.46 41.92 3dpo s ILE 499 CO -0.07 -0.75 -0.22 -0.89 0.24 0.00 0.00 174.94 173.25 3dpo s THR 500 N -3.79 2.22 -0.17 8.37 2.01 -1.26 -1.70 115.64 121.31 3dpo s THR 500 Ca 0.15 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.20 3dpo s THR 500 Cb 0.07 -1.86 0.02 0.00 0.01 0.00 0.00 72.50 70.74 3dpo s THR 500 CO -0.03 0.55 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.65 3dpo s ILE 501 N 0.41 1.84 0.48 1.82 1.01 0.67 -5.01 121.20 122.42 3dpo s ILE 501 Ca -0.16 -0.85 -0.24 0.00 0.00 0.00 0.00 60.65 59.40 3dpo s ILE 501 Cb -0.17 -1.72 -0.07 0.00 0.01 0.00 0.00 42.46 40.51 3dpo s ILE 501 CO 0.07 0.46 1.36 0.29 0.00 0.00 0.00 174.94 177.11 3dpo n LYS 502 N 4.68 1.96 0.27 2.79 5.02 -1.26 -0.82 118.16 130.79 3dpo n LYS 502 Ca -0.19 0.70 0.16 0.00 -2.02 0.00 0.00 58.31 56.96 3dpo n LYS 502 Cb 0.49 -2.54 0.88 0.00 -0.02 0.00 0.00 35.03 33.85 3dpo n LYS 502 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dpo h ALA 503 N 1.91 1.63 -0.00 7.82 0.00 -1.85 0.05 119.26 128.83 3dpo h ALA 503 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3dpo h ALA 503 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3dpo h ALA 503 CO 0.59 -0.10 -0.20 -1.13 0.00 0.00 0.00 179.25 178.41 3dpo n SER 504 N -3.85 0.29 -4.62 0.00 3.41 -1.26 -4.87 113.62 102.72 3dpo n SER 504 Ca -0.01 -0.02 -0.30 0.00 -0.26 0.00 0.00 58.87 58.27 3dpo n SER 504 Cb 0.16 -0.14 0.19 0.00 -0.26 0.00 0.00 64.21 64.17 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 -2.87 2.35 0.21 4.04 0.01 0.00 -4.88 113.70 112.56 3dpo s SER 505 Ca 0.17 1.88 0.00 0.00 1.31 0.00 0.00 55.95 59.30 3dpo s SER 505 Cb 0.19 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.98 3dpo s SER 505 CO 0.57 -3.41 0.00 0.61 0.41 0.00 0.00 173.24 171.43 3dpo n GLY 506 N 0.23 -0.20 3.81 3.44 0.00 -1.26 -4.95 105.19 106.26 3dpo n GLY 506 Ca 0.08 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 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 4.38 0.00 0.99 1.43 -1.26 -5.07 118.68 119.15 3dpo s LEU 507 Ca 0.00 1.42 -0.08 0.00 -1.03 0.00 0.00 54.13 54.44 3dpo s LEU 507 Cb 0.00 -3.50 0.15 0.00 0.03 0.00 0.00 46.19 42.87 3dpo s LEU 507 CO 0.00 0.07 0.93 -0.46 0.23 0.00 0.00 176.35 177.12 3dpo n ASN 508 N 0.87 0.48 -0.25 2.29 0.23 -1.26 -4.75 115.26 112.86 3dpo n ASN 508 Ca -0.03 -1.58 -0.06 0.00 -0.53 0.00 0.00 54.58 52.37 3dpo n ASN 508 Cb 0.51 -0.67 0.05 0.00 -2.08 0.00 0.00 39.78 37.58 3dpo n ASN 508 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3dpo h GLU 509 N 0.00 1.02 0.33 -3.83 5.08 -1.99 0.31 114.58 115.50 3dpo h GLU 509 Ca -0.30 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 3dpo h GLU 509 Cb 0.93 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3dpo h GLU 509 CO 0.25 0.81 -0.16 0.22 -1.00 0.00 0.00 179.01 179.13 3dpo h ASP 510 N 0.98 -0.37 -0.31 1.42 3.58 -2.00 -1.96 116.42 117.76 3dpo h ASP 510 Ca 0.24 -0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.67 3dpo h ASP 510 Cb 0.14 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 3dpo h ASP 510 CO -0.03 -0.20 0.20 -0.33 -2.88 0.00 0.00 179.24 176.00 3dpo h GLU 511 N -0.52 0.32 -0.21 0.28 5.08 -1.72 -0.89 114.58 116.92 3dpo h GLU 511 Ca -0.04 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 3dpo h GLU 511 Cb 0.39 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3dpo h GLU 511 CO 0.07 0.21 -0.11 0.82 -1.00 0.00 0.00 179.01 179.01 3dpo h ILE 512 N 0.33 1.31 -0.18 3.13 2.04 -0.10 0.55 117.51 124.59 3dpo h ILE 512 Ca 0.12 -1.18 -0.16 0.00 1.00 0.00 0.00 64.86 64.64 3dpo h ILE 512 Cb 0.08 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3dpo h ILE 512 CO -0.03 0.36 -0.55 1.56 0.00 0.00 0.00 178.15 179.49 3dpo h GLN 513 N 0.15 0.53 -0.65 2.37 1.08 -0.61 -1.17 115.11 116.81 3dpo h GLN 513 Ca 0.05 -0.33 -0.08 0.00 -1.45 0.00 0.00 58.65 56.84 3dpo h GLN 513 Cb 0.60 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.05 3dpo h GLN 513 CO 0.03 0.94 0.11 0.87 -0.95 0.00 0.00 178.83 179.83 3dpo h LYS 514 N 0.41 1.08 -0.31 1.46 1.57 -1.06 -1.59 116.57 118.13 3dpo h LYS 514 Ca 0.01 -0.29 0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3dpo h LYS 514 Cb 1.09 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 3dpo h LYS 514 CO 0.10 0.99 0.16 1.98 -0.57 0.00 0.00 179.45 182.12 3dpo h MET 515 N 1.00 0.33 -0.79 3.15 4.05 -0.32 0.26 114.93 122.61 3dpo h MET 515 Ca 0.20 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.57 3dpo h MET 515 Cb 0.44 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.13 3dpo h MET 515 CO 0.01 0.22 0.37 0.28 0.23 0.00 0.00 176.91 178.02 3dpo h VAL 516 N 0.34 1.25 -0.01 -5.77 2.07 -0.99 -0.68 116.25 112.45 3dpo h VAL 516 Ca 0.13 -0.71 -0.15 0.00 0.82 0.00 0.00 66.70 66.79 3dpo h VAL 516 Cb 0.03 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 3dpo h VAL 516 CO -0.08 0.30 -0.69 0.03 0.02 0.00 0.00 177.57 177.15 3dpo h ARG 517 N 1.12 0.05 0.06 1.57 3.08 -0.47 -2.02 114.38 117.77 3dpo h ARG 517 Ca 0.27 -0.05 -0.24 0.00 0.07 0.00 0.00 59.98 60.04 3dpo h ARG 517 Cb 0.13 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3dpo h ARG 517 CO -0.03 0.72 -1.09 -0.44 -1.07 0.00 0.00 179.97 178.06 3dpo h ASP 518 N 0.04 0.25 -0.36 7.04 3.32 -0.03 -1.77 116.42 124.89 3dpo h ASP 518 Ca -0.01 -0.25 -0.11 0.00 0.02 0.00 0.00 57.03 56.68 3dpo h ASP 518 Cb 1.23 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 3dpo h ASP 518 CO 0.09 1.17 -0.21 0.00 -1.72 0.00 0.00 179.24 178.57 3dpo h ALA 519 N 0.80 0.52 -0.10 3.45 0.00 -0.94 -1.85 119.26 121.14 3dpo h ALA 519 Ca -0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3dpo h ALA 519 Cb 1.82 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 3dpo h ALA 519 CO 0.17 0.48 0.01 0.93 0.00 0.00 0.00 179.25 180.84 3dpo h GLU 520 N 0.58 0.17 0.00 0.00 5.08 -1.34 -1.87 114.58 117.20 3dpo h GLU 520 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3dpo h GLU 520 Cb 0.77 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3dpo h GLU 520 CO 0.06 0.39 0.00 0.00 -1.00 0.00 0.00 179.01 178.46 3dpo h ALA 521 N 0.78 1.00 -0.12 3.43 0.00 -1.21 -2.47 119.26 120.67 3dpo h ALA 521 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3dpo h ALA 521 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3dpo h ALA 521 CO 0.00 0.00 -0.06 0.09 0.00 0.00 0.00 179.25 179.28 3dpo n ASN 522 N -3.06 2.77 -0.21 0.00 3.02 -0.70 -4.77 115.26 112.30 3dpo n ASN 522 Ca -0.01 -3.23 -0.06 0.00 -0.03 0.00 0.00 54.58 51.25 3dpo n ASN 522 Cb 0.20 -0.50 0.04 0.00 -0.61 0.00 0.00 39.78 38.91 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 0.77 0.78 -0.14 5.41 0.00 -0.85 -0.02 119.26 125.21 3dpo h ALA 523 Ca 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3dpo h ALA 523 Cb 1.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3dpo h ALA 523 CO 0.11 0.24 0.00 1.49 0.00 0.00 0.00 179.25 181.10 3dpo h GLU 524 N 0.83 0.24 -0.33 0.00 4.81 -1.86 -1.67 114.58 116.59 3dpo h GLU 524 Ca 0.22 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 3dpo h GLU 524 Cb -0.04 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3dpo h GLU 524 CO -0.04 0.47 -0.06 0.00 -0.73 0.00 0.00 179.01 178.65 3dpo h ALA 525 N 0.77 1.28 -0.17 2.92 0.00 -1.87 -1.03 119.26 121.16 3dpo h ALA 525 Ca 0.04 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 3dpo h ALA 525 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3dpo h ALA 525 CO 0.01 0.48 -0.46 -0.44 0.00 0.00 0.00 179.25 178.83 3dpo h ASP 526 N 0.51 0.46 -0.47 0.00 5.19 -0.79 -0.94 116.42 120.38 3dpo h ASP 526 Ca 0.10 -0.22 -0.13 0.00 -0.62 0.00 0.00 57.03 56.16 3dpo h ASP 526 Cb 0.42 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 3dpo h ASP 526 CO 0.02 0.85 -0.24 -0.09 -3.12 0.00 0.00 179.24 176.67 3dpo h ARG 527 N 0.34 0.98 -0.54 3.56 2.43 -0.79 -1.29 114.38 119.07 3dpo h ARG 527 Ca 0.02 -0.43 -0.07 0.00 -0.81 0.00 0.00 59.98 58.68 3dpo h ARG 527 Cb 0.95 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 3dpo h ARG 527 CO 0.08 1.11 0.04 0.87 -1.51 0.00 0.00 179.97 180.56 3dpo h LYS 528 N 0.83 0.89 -0.26 0.20 1.57 -0.80 -1.13 116.57 117.87 3dpo h LYS 528 Ca 0.10 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3dpo h LYS 528 Cb 0.82 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3dpo h LYS 528 CO 0.07 0.86 0.04 0.35 -0.57 0.00 0.00 179.45 180.20 3dpo h PHE 529 N 0.84 0.46 -0.40 -1.35 3.57 -0.98 0.21 116.94 119.29 3dpo h PHE 529 Ca 0.16 -0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.66 3dpo h PHE 529 Cb 0.44 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 3dpo h PHE 529 CO 0.03 0.55 0.08 1.49 -2.23 0.00 0.00 178.31 178.23 3dpo h GLU 530 N 0.24 0.21 -0.63 1.11 4.81 -1.00 0.58 114.58 119.90 3dpo h GLU 530 Ca 0.08 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 3dpo h GLU 530 Cb 0.34 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3dpo h GLU 530 CO 0.01 0.14 0.04 0.93 -0.73 0.00 0.00 179.01 179.40 3dpo h GLU 531 N 0.21 1.07 -0.60 1.92 5.08 -0.90 -1.97 114.58 119.39 3dpo h GLU 531 Ca 0.19 -0.32 0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3dpo h GLU 531 Cb 0.23 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 3dpo h GLU 531 CO -0.25 1.02 0.33 1.25 -1.00 0.00 0.00 179.01 180.36 3dpo h LEU 532 N 0.99 0.50 -0.47 1.33 5.85 0.30 -2.03 115.31 121.78 3dpo h LEU 532 Ca 0.18 0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.77 3dpo h LEU 532 Cb 0.51 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3dpo h LEU 532 CO 0.02 0.33 -0.45 0.58 -0.34 0.00 0.00 178.44 178.59 3dpo h VAL 533 N 0.63 1.29 -0.93 1.05 2.07 -0.62 0.15 116.25 119.88 3dpo h VAL 533 Ca 0.26 -1.63 0.02 0.00 0.82 0.00 0.00 66.70 66.17 3dpo h VAL 533 Cb 0.14 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 3dpo h VAL 533 CO -0.16 0.53 0.62 -0.61 0.02 0.00 0.00 177.57 177.97 3dpo h GLN 534 N 0.62 1.21 -0.10 1.57 4.15 -1.07 0.41 115.11 121.89 3dpo h GLN 534 Ca 0.04 -0.07 -0.12 0.00 0.77 0.00 0.00 58.65 59.27 3dpo h GLN 534 Cb 1.01 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.43 3dpo h GLN 534 CO 0.10 0.80 -0.41 1.15 -1.93 0.00 0.00 178.83 178.54 3dpo h THR 535 N 1.24 1.38 -0.77 2.39 2.02 -0.84 -1.27 112.91 117.05 3dpo h THR 535 Ca 0.35 -1.75 0.05 0.00 0.77 0.00 0.00 66.41 65.84 3dpo h THR 535 Cb -0.11 2.19 -0.05 0.00 -1.74 0.00 0.00 68.15 68.45 3dpo h THR 535 CO -0.09 0.52 0.51 0.03 0.37 0.00 0.00 175.52 176.86 3dpo h ARG 536 N 0.04 0.85 -0.22 6.66 3.08 -0.41 0.78 114.38 125.17 3dpo h ARG 536 Ca -0.02 -0.05 -0.19 0.00 0.07 0.00 0.00 59.98 59.79 3dpo h ARG 536 Cb 1.05 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.91 3dpo h ARG 536 CO 0.09 0.56 -0.59 -0.91 -1.07 0.00 0.00 179.97 178.05 3dpo h ASN 537 N 0.88 0.90 -0.49 7.04 2.35 -0.67 0.26 115.58 125.84 3dpo h ASN 537 Ca 0.32 -0.57 -0.01 0.00 -0.55 0.00 0.00 56.30 55.49 3dpo h ASN 537 Cb 0.17 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 3dpo h ASN 537 CO -0.11 1.31 0.27 1.56 -1.65 0.00 0.00 177.43 178.82 3dpo h GLN 538 N 0.53 0.69 -0.29 0.81 4.20 -0.57 -1.27 115.11 119.21 3dpo h GLN 538 Ca -0.01 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.50 3dpo h GLN 538 Cb 1.20 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 3dpo h GLN 538 CO 0.13 0.54 -0.30 0.78 -0.67 0.00 0.00 178.83 179.30 3dpo h GLY 539 N 0.66 0.66 1.00 3.46 0.00 -0.59 -0.99 103.07 107.27 3dpo h GLY 539 Ca 0.17 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3dpo h GLY 539 CO -0.03 0.54 0.11 -1.80 0.00 0.00 0.00 176.54 175.36 3dpo h ASP 540 N 0.52 0.19 0.59 0.19 3.58 -0.16 -1.62 116.42 119.71 3dpo h ASP 540 Ca 0.06 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.43 3dpo h ASP 540 Cb 0.78 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 3dpo h ASP 540 CO 0.06 0.13 -0.36 0.45 -2.88 0.00 0.00 179.24 176.64 3dpo h HIS 541 N 0.22 0.00 -0.24 0.28 3.86 -0.82 -2.16 115.15 116.30 3dpo h HIS 541 Ca 0.06 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.12 3dpo h HIS 541 Cb -0.02 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 3dpo h HIS 541 CO -0.07 0.36 -0.49 1.25 0.86 0.00 0.00 177.93 179.85 3dpo h LEU 542 N 0.00 0.69 0.63 2.43 5.85 -0.74 -1.30 115.31 122.88 3dpo h LEU 542 Ca -0.00 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 3dpo h LEU 542 Cb 0.76 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3dpo h LEU 542 CO 0.05 1.06 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.83 3dpo h LEU 543 N 0.50 -0.75 0.09 2.25 3.38 -0.67 -0.58 115.31 119.53 3dpo h LEU 543 Ca 0.02 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3dpo h LEU 543 Cb 1.03 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3dpo h LEU 543 CO 0.10 -0.53 -0.13 0.45 0.09 0.00 0.00 178.44 178.42 3dpo h HIS 544 N -0.87 -0.33 -0.13 1.13 3.86 -1.45 -0.03 115.15 117.34 3dpo h HIS 544 Ca -0.09 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.18 3dpo h HIS 544 Cb 0.67 0.14 -0.06 0.00 1.06 0.00 0.00 27.41 29.22 3dpo h HIS 544 CO -0.04 -0.20 -0.24 0.77 0.86 0.00 0.00 177.93 179.08 3dpo h SER 545 N -0.26 -0.74 -0.72 2.45 0.02 -1.24 -1.17 113.55 111.88 3dpo h SER 545 Ca 0.02 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3dpo h SER 545 Cb 0.27 0.33 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 3dpo h SER 545 CO -0.06 -0.29 0.43 0.74 -1.14 0.00 0.00 176.83 176.51 3dpo h THR 546 N -0.31 1.21 -0.05 -2.27 2.02 -0.80 -1.01 112.91 111.70 3dpo h THR 546 Ca 0.10 -0.48 -0.11 0.00 0.77 0.00 0.00 66.41 66.69 3dpo h THR 546 Cb 0.46 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3dpo h THR 546 CO -0.30 0.22 -0.50 0.03 0.37 0.00 0.00 175.52 175.34 3dpo h ARG 547 N 1.02 0.12 0.00 6.66 3.08 -0.32 -0.98 114.38 123.96 3dpo h ARG 547 Ca 0.26 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 3dpo h ARG 547 Cb -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 3dpo h ARG 547 CO -0.05 0.59 -0.35 0.87 -1.07 0.00 0.00 179.97 179.96 3dpo h LYS 548 N 0.09 0.00 0.00 0.04 1.57 -0.03 -2.89 116.57 115.36 3dpo h LYS 548 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 3dpo h LYS 548 Cb 0.92 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.19 3dpo h LYS 548 CO 0.07 0.11 -1.55 1.96 -0.57 0.00 0.00 179.45 179.47 3dpo h GLN 549 N 0.00 0.00 0.00 3.15 4.20 -0.66 -2.74 115.11 119.07 3dpo h GLN 549 Ca -0.01 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 3dpo h GLN 549 Cb 1.10 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 3dpo h GLN 549 CO 0.01 0.46 -0.56 0.28 -0.67 0.00 0.00 178.83 178.35 3dpo h VAL 550 N 0.00 1.20 0.00 -0.54 2.07 -1.12 -2.27 116.25 115.60 3dpo h VAL 550 Ca -0.23 -2.07 -0.08 0.00 0.82 0.00 0.00 66.70 65.14 3dpo h VAL 550 Cb 1.86 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 33.79 3dpo h VAL 550 CO 0.07 0.55 -0.81 -0.33 0.02 0.00 0.00 177.57 177.07 3dpo h GLU 551 N 0.00 0.00 0.00 1.57 3.07 -1.57 -2.92 114.58 114.73 3dpo h GLU 551 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3dpo h GLU 551 Cb 1.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 3dpo h GLU 551 CO 0.07 0.24 -0.52 1.05 -1.40 0.00 0.00 179.01 178.46 3dpo h GLU 552 N 0.00 0.00 0.00 2.33 4.11 -1.15 -3.22 114.58 116.66 3dpo h GLU 552 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 3dpo h GLU 552 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 3dpo h GLU 552 CO 0.03 0.00 -1.59 0.00 0.07 0.00 0.00 179.01 177.52 3dpo n ALA 553 N -1.87 2.45 0.00 1.06 0.00 -0.89 -4.97 120.51 116.29 3dpo n ALA 553 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3dpo n ALA 553 Cb 0.45 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 1.78 0.17 0.11 0.00 0.00 -1.10 -0.97 105.19 105.18 3dpo n GLY 554 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.02 3dpo n GLY 554 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3dpo h ASP 555 N 0.00 0.00 -0.16 1.61 3.58 -1.92 -3.26 116.42 116.27 3dpo h ASP 555 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3dpo h ASP 555 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 3dpo h ASP 555 CO 0.00 0.45 0.00 0.29 -2.88 0.00 0.00 179.24 177.10 3dpo n LYS 556 N -2.93 1.74 -3.76 0.28 5.02 -0.14 -4.60 118.16 113.77 3dpo n LYS 556 Ca -0.05 -1.11 -0.36 0.00 -2.02 0.00 0.00 58.31 54.76 3dpo n LYS 556 Cb 0.76 -1.40 -0.13 0.00 -0.02 0.00 0.00 35.03 34.24 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 -1.59 3.44 0.30 -0.35 2.96 -1.23 -5.01 118.68 117.19 3dpo s LEU 557 Ca 0.33 -0.24 -0.29 0.00 -0.22 0.00 0.00 54.13 53.71 3dpo s LEU 557 Cb 0.18 -1.91 -0.13 0.00 0.50 0.00 0.00 46.19 44.82 3dpo s LEU 557 CO 0.27 -0.04 1.33 -2.65 -1.32 0.00 0.00 176.35 173.93 3dpo n PRO 558 N 4.92 2.07 -0.15 0.98 -0.02 -1.26 -4.79 135.00 136.75 3dpo n PRO 558 Ca -0.16 0.73 0.13 0.00 -2.02 0.00 0.00 63.50 62.18 3dpo n PRO 558 Cb 0.51 -2.33 0.48 0.00 -0.02 0.00 0.00 33.50 32.13 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 3.23 2.01 0.00 3.55 0.00 -1.97 0.36 119.26 126.44 3dpo h ALA 559 Ca -0.45 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 3dpo h ALA 559 Cb 1.28 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3dpo h ALA 559 CO 0.68 -0.19 -0.14 -0.44 0.00 0.00 0.00 179.25 179.17 3dpo h ASP 560 N 0.47 0.00 0.07 0.00 3.32 -1.99 -1.53 116.42 116.75 3dpo h ASP 560 Ca 0.34 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 3dpo h ASP 560 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 3dpo h ASP 560 CO -0.11 0.14 -0.03 0.44 -1.72 0.00 0.00 179.24 177.96 3dpo h ASP 561 N 0.00 -0.08 -0.92 6.45 3.32 -0.76 -2.72 116.42 121.71 3dpo h ASP 561 Ca -0.00 -0.37 0.23 0.00 0.02 0.00 0.00 57.03 56.91 3dpo h ASP 561 Cb 0.89 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.40 3dpo h ASP 561 CO 0.02 0.57 0.63 0.11 -1.72 0.00 0.00 179.24 178.85 3dpo h LYS 562 N -0.97 0.24 -0.00 3.56 6.56 -0.80 -1.43 116.57 123.72 3dpo h LYS 562 Ca -0.01 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.53 3dpo h LYS 562 Cb 0.45 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.06 3dpo h LYS 562 CO 0.02 0.16 -0.13 1.15 -2.06 0.00 0.00 179.45 178.59 3dpo h THR 563 N 0.25 1.58 -0.97 -0.16 2.02 -1.28 0.12 112.91 114.48 3dpo h THR 563 Ca 0.47 -1.89 0.10 0.00 0.77 0.00 0.00 66.41 65.86 3dpo h THR 563 Cb 1.43 2.82 -0.08 0.00 -1.74 0.00 0.00 68.15 70.58 3dpo h THR 563 CO -0.13 0.50 0.61 0.00 0.37 0.00 0.00 175.52 176.87 3dpo h ALA 564 N 0.24 1.42 -0.16 6.16 0.00 -1.09 -1.73 119.26 124.10 3dpo h ALA 564 Ca -0.02 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 3dpo h ALA 564 Cb 0.89 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.48 3dpo h ALA 564 CO 0.02 0.25 -0.73 0.82 0.00 0.00 0.00 179.25 179.62 3dpo h ILE 565 N 1.00 1.28 0.00 0.00 2.04 -1.04 -1.89 117.51 118.90 3dpo h ILE 565 Ca 0.46 -1.93 -0.05 0.00 1.00 0.00 0.00 64.86 64.35 3dpo h ILE 565 Cb 0.39 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 3dpo h ILE 565 CO -0.24 0.61 -0.24 -0.33 0.00 0.00 0.00 178.15 177.96 3dpo h GLU 566 N 0.52 0.00 0.01 2.37 4.39 -0.24 -0.52 114.58 121.11 3dpo h GLU 566 Ca -0.04 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.42 3dpo h GLU 566 Cb 1.36 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.98 3dpo h GLU 566 CO 0.15 0.24 -1.16 1.03 -1.16 0.00 0.00 179.01 178.11 3dpo h SER 567 N 0.00 0.04 1.24 1.42 0.87 -1.02 -2.81 113.55 113.30 3dpo h SER 567 Ca -0.00 -0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.38 3dpo h SER 567 Cb 0.42 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 3dpo h SER 567 CO 0.03 1.04 -0.59 0.00 -0.53 0.00 0.00 176.83 176.79 3dpo h ALA 568 N 0.95 0.67 -0.39 6.23 0.00 -0.64 -2.00 119.26 124.08 3dpo h ALA 568 Ca -0.08 -0.54 -0.16 0.00 0.00 0.00 0.00 54.91 54.14 3dpo h ALA 568 Cb 1.84 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 3dpo h ALA 568 CO 0.13 0.74 -0.37 -0.07 0.00 0.00 0.00 179.25 179.67 3dpo h LEU 569 N 0.00 0.99 -0.19 0.00 3.38 -1.03 -1.69 115.31 116.78 3dpo h LEU 569 Ca -0.01 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 3dpo h LEU 569 Cb 1.37 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3dpo h LEU 569 CO 0.08 1.25 -0.13 0.74 0.09 0.00 0.00 178.44 180.46 3dpo h THR 570 N 0.75 1.32 -0.76 0.22 2.02 -1.22 0.19 112.91 115.44 3dpo h THR 570 Ca 0.06 -1.25 -0.01 0.00 0.77 0.00 0.00 66.41 65.99 3dpo h THR 570 Cb 0.96 1.73 -0.04 0.00 -1.74 0.00 0.00 68.15 69.07 3dpo h THR 570 CO 0.09 0.37 0.45 0.00 0.37 0.00 0.00 175.52 176.81 3dpo h ALA 571 N 0.66 1.36 -0.13 6.16 0.00 -1.31 -0.77 119.26 125.23 3dpo h ALA 571 Ca 0.04 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3dpo h ALA 571 Cb 0.65 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3dpo h ALA 571 CO 0.04 0.54 -0.32 1.25 0.00 0.00 0.00 179.25 180.76 3dpo h LEU 572 N 1.04 0.51 -1.08 0.00 5.85 -0.80 -0.59 115.31 120.25 3dpo h LEU 572 Ca 0.27 -0.57 0.12 0.00 0.84 0.00 0.00 57.88 58.54 3dpo h LEU 572 Cb -0.03 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 40.77 3dpo h LEU 572 CO -0.05 0.99 0.62 -0.08 -0.34 0.00 0.00 178.44 179.58 3dpo h GLU 573 N 0.05 0.92 -0.20 1.25 4.81 -0.08 -0.58 114.58 120.75 3dpo h GLU 573 Ca -0.00 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.03 3dpo h GLU 573 Cb 0.92 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3dpo h GLU 573 CO 0.07 0.61 -0.41 1.15 -0.73 0.00 0.00 179.01 179.69 3dpo h THR 574 N 0.94 1.32 -0.22 0.32 2.02 -0.83 -2.87 112.91 113.60 3dpo h THR 574 Ca 0.48 -1.64 -0.04 0.00 0.77 0.00 0.00 66.41 65.97 3dpo h THR 574 Cb 0.50 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 3dpo h THR 574 CO -0.24 0.51 -0.06 0.00 0.37 0.00 0.00 175.52 176.10 3dpo h ALA 575 N 0.60 1.49 0.00 6.16 0.00 -0.40 -2.53 119.26 124.58 3dpo h ALA 575 Ca 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3dpo h ALA 575 Cb 1.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3dpo h ALA 575 CO 0.09 0.36 -0.05 -0.07 0.00 0.00 0.00 179.25 179.58 3dpo h LEU 576 N 0.32 0.00 0.00 0.00 3.38 -0.89 -0.49 115.31 117.63 3dpo h LEU 576 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3dpo h LEU 576 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3dpo h LEU 576 CO 0.01 0.05 -0.16 0.11 0.09 0.00 0.00 178.44 178.54 3dpo h LYS 577 N 0.00 0.00 -7.53 1.13 1.57 -1.49 -3.45 116.57 106.80 3dpo h LYS 577 Ca -0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 3dpo h LYS 577 Cb 0.31 0.00 0.13 0.00 0.08 0.00 0.00 32.23 32.76 3dpo h LYS 577 CO 0.01 0.00 0.29 0.20 -0.57 0.00 0.00 179.45 179.37 3dpo s GLY 578 N -3.73 1.78 -0.11 3.86 0.00 -0.19 -5.02 107.32 103.91 3dpo s GLY 578 Ca 0.09 -1.54 0.15 0.00 0.00 0.00 0.00 44.72 43.41 3dpo s GLY 578 CO 0.64 -0.81 1.16 1.18 0.00 0.00 0.00 173.10 175.27 3dpo n GLU 579 N -3.41 1.91 -3.56 2.90 1.02 -1.26 -4.95 120.64 113.29 3dpo n GLU 579 Ca 0.16 -2.38 -0.41 0.00 -0.02 0.00 0.00 57.16 54.51 3dpo n GLU 579 Cb 0.60 -1.44 -0.10 0.00 -0.02 0.00 0.00 31.44 30.48 3dpo n GLU 579 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3dpo s ASP 580 N -2.30 5.81 0.07 1.62 -1.08 -1.26 -4.97 116.67 114.56 3dpo s ASP 580 Ca 0.27 -1.13 -0.21 0.00 -0.52 0.00 0.00 52.55 50.95 3dpo s ASP 580 Cb 0.23 -2.05 -0.11 0.00 -1.46 0.00 0.00 42.92 39.52 3dpo s ASP 580 CO 0.04 -0.46 1.58 0.50 0.52 0.00 0.00 175.17 177.35 3dpo h LYS 581 N 8.49 0.22 -0.43 4.34 3.64 -1.93 -2.69 116.57 128.21 3dpo h LYS 581 Ca -0.25 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.08 3dpo h LYS 581 Cb 1.10 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 3dpo h LYS 581 CO 0.72 0.35 0.28 0.00 -2.27 0.00 0.00 179.45 178.53 3dpo h ALA 582 N 0.86 1.70 -0.33 5.00 0.00 -1.99 -1.39 119.26 123.12 3dpo h ALA 582 Ca 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3dpo h ALA 582 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3dpo h ALA 582 CO -0.00 0.27 -0.19 0.00 0.00 0.00 0.00 179.25 179.33 3dpo h ALA 583 N 1.74 1.06 -0.14 0.00 0.00 -1.90 -0.69 119.26 119.33 3dpo h ALA 583 Ca 0.16 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 3dpo h ALA 583 Cb -0.05 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.60 3dpo h ALA 583 CO -0.03 0.57 -0.54 0.82 0.00 0.00 0.00 179.25 180.06 3dpo h ILE 584 N 0.54 1.34 -0.28 0.00 2.04 -1.06 -2.18 117.51 117.91 3dpo h ILE 584 Ca 0.09 -1.81 -0.08 0.00 1.00 0.00 0.00 64.86 64.05 3dpo h ILE 584 Cb 0.63 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 3dpo h ILE 584 CO 0.04 0.56 -0.15 -0.33 0.00 0.00 0.00 178.15 178.27 3dpo h GLU 585 N 0.27 0.49 -0.37 2.37 5.08 -1.17 0.06 114.58 121.31 3dpo h GLU 585 Ca -0.03 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.06 3dpo h GLU 585 Cb 1.18 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3dpo h GLU 585 CO 0.11 0.64 -0.25 0.00 -1.00 0.00 0.00 179.01 178.51 3dpo h ALA 586 N 1.39 0.86 -0.00 3.43 0.00 -0.95 -0.49 119.26 123.49 3dpo h ALA 586 Ca 0.08 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 3dpo h ALA 586 Cb 0.53 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3dpo h ALA 586 CO 0.03 0.63 -0.72 0.87 0.00 0.00 0.00 179.25 180.07 3dpo h LYS 587 N 0.66 0.03 -0.57 0.00 1.79 -0.74 -1.07 116.57 116.65 3dpo h LYS 587 Ca 0.09 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 3dpo h LYS 587 Cb 0.76 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.39 3dpo h LYS 587 CO 0.06 0.73 0.22 0.52 -1.08 0.00 0.00 179.45 179.90 3dpo h MET 588 N 0.02 0.84 -0.01 3.15 2.86 -0.28 -1.78 114.93 119.73 3dpo h MET 588 Ca -0.01 -0.13 -0.24 0.00 -2.06 0.00 0.00 59.70 57.25 3dpo h MET 588 Cb 1.27 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 32.80 3dpo h MET 588 CO 0.10 0.70 -0.98 0.37 1.06 0.00 0.00 176.91 178.15 3dpo h GLN 589 N 0.83 0.56 -0.05 1.72 5.75 -0.49 0.49 115.11 123.92 3dpo h GLN 589 Ca 0.20 -0.60 -0.10 0.00 -0.15 0.00 0.00 58.65 58.00 3dpo h GLN 589 Cb 0.18 0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 3dpo h GLN 589 CO -0.02 1.21 -0.44 0.93 -2.65 0.00 0.00 178.83 177.86 3dpo h GLU 590 N 0.32 0.12 0.02 1.69 5.08 -1.09 -0.34 114.58 120.39 3dpo h GLU 590 Ca -0.10 -0.06 -0.24 0.00 -1.00 0.00 0.00 59.36 57.96 3dpo h GLU 590 Cb 1.62 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.89 3dpo h GLU 590 CO 0.18 0.54 -0.94 1.25 -1.00 0.00 0.00 179.01 179.05 3dpo h LEU 591 N 0.10 0.78 -1.27 1.33 5.85 -0.99 -2.55 115.31 118.57 3dpo h LEU 591 Ca 0.01 -0.76 0.04 0.00 0.84 0.00 0.00 57.88 58.00 3dpo h LEU 591 Cb 0.83 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 3dpo h LEU 591 CO 0.06 1.45 0.51 0.00 -0.34 0.00 0.00 178.44 180.13 3dpo h ALA 592 N 0.35 1.54 0.00 1.25 0.00 -0.59 -1.92 119.26 119.89 3dpo h ALA 592 Ca -0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3dpo h ALA 592 Cb 1.61 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3dpo h ALA 592 CO 0.18 0.38 -0.21 1.96 0.00 0.00 0.00 179.25 181.56 3dpo h GLN 593 N 0.95 0.00 -0.29 0.00 4.20 -0.64 -2.27 115.11 117.06 3dpo h GLN 593 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 3dpo h GLN 593 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3dpo h GLN 593 CO -0.09 0.21 0.00 1.33 -0.67 0.00 0.00 178.83 179.61 3dpo n VAL 594 N -4.26 2.01 0.04 -0.54 0.24 -0.77 -4.32 118.33 110.73 3dpo n VAL 594 Ca -0.02 -1.66 0.03 0.00 -2.04 0.00 0.00 64.34 60.64 3dpo n VAL 594 Cb 0.27 -0.08 0.05 0.00 -1.47 0.00 0.00 33.84 32.60 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 -0.23 2.00 -0.35 -1.34 7.64 -0.85 -4.54 113.62 115.95 3dpo n SER 595 Ca 0.19 -1.67 -0.02 0.00 1.01 0.00 0.00 58.87 58.38 3dpo n SER 595 Cb 0.80 -0.06 0.11 0.00 -1.01 0.00 0.00 64.21 64.05 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 0.95 1.20 -0.19 1.43 4.20 -1.75 0.14 115.11 121.09 3dpo h GLN 596 Ca 0.00 -0.07 -0.20 0.00 0.06 0.00 0.00 58.65 58.44 3dpo h GLN 596 Cb 0.44 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3dpo h GLN 596 CO 0.00 0.80 -0.67 1.57 -0.67 0.00 0.00 178.83 179.86 3dpo h LYS 597 N 1.24 0.73 0.00 1.46 -0.00 -1.93 -1.09 116.57 116.98 3dpo h LYS 597 Ca 0.36 -0.53 -0.03 0.00 -0.00 0.00 0.00 60.65 60.44 3dpo h LYS 597 Cb -0.08 0.09 -0.00 0.00 -0.00 0.00 0.00 32.23 32.23 3dpo h LYS 597 CO -0.09 1.15 -0.16 1.25 -0.00 0.00 0.00 179.45 181.60 3dpo h LEU 598 N 0.53 0.00 0.12 7.07 5.85 -1.57 0.21 115.31 127.51 3dpo h LEU 598 Ca -0.02 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.43 3dpo h LEU 598 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3dpo h LEU 598 CO 0.14 0.16 -1.26 0.24 -0.34 0.00 0.00 178.44 177.38 3dpo h MET 599 N 0.00 0.25 0.31 1.25 2.86 -0.13 -3.15 114.93 116.33 3dpo h MET 599 Ca -0.00 -0.43 -0.02 0.00 -2.06 0.00 0.00 59.70 57.20 3dpo h MET 599 Cb 0.61 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.43 3dpo h MET 599 CO 0.02 1.19 -0.15 1.05 1.06 0.00 0.00 176.91 180.08 3dpo h GLU 600 N 0.07 -0.40 0.00 1.72 -0.00 0.26 -3.51 114.58 112.71 3dpo h GLU 600 Ca -0.14 0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.25 3dpo h GLU 600 Cb 1.96 0.09 0.00 0.00 -0.00 0.00 0.00 28.75 30.81 3dpo h GLU 600 CO 0.19 -0.13 0.00 -0.89 -0.00 0.00 0.00 179.01 178.19