#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpq n LEU 390 N 0.00 0.91 -4.01 1.34 4.77 -1.26 -4.97 117.00 113.78 3dpq n LEU 390 Ca 0.00 -0.66 -0.24 0.00 -0.03 0.00 0.00 56.01 55.08 3dpq n LEU 390 Cb 0.00 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 3dpq n LEU 390 CO 0.00 0.19 -0.46 -0.22 -1.33 0.00 0.00 177.39 175.57 3dpq s LEU 391 N -1.93 1.62 -0.11 2.23 0.20 -1.26 -5.12 118.68 114.32 3dpq s LEU 391 Ca 0.06 -0.28 -0.04 0.00 0.69 0.00 0.00 54.13 54.56 3dpq s LEU 391 Cb 0.08 -0.79 0.06 0.00 -0.43 0.00 0.00 46.19 45.10 3dpq s LEU 391 CO 0.30 0.03 0.22 -0.22 -0.29 0.00 0.00 176.35 176.39 3dpq s LEU 392 N 0.67 -0.17 -0.66 -0.68 2.96 -1.26 -5.10 118.68 114.44 3dpq s LEU 392 Ca -0.14 0.49 -0.27 0.00 -0.22 0.00 0.00 54.13 53.99 3dpq s LEU 392 Cb -0.16 0.53 0.04 0.00 0.50 0.00 0.00 46.19 47.10 3dpq s LEU 392 CO 0.03 -0.24 1.18 -0.62 -1.32 0.00 0.00 176.35 175.39 3dpq s ASP 393 N 2.30 6.27 0.50 3.68 2.15 -1.26 -4.97 116.67 125.34 3dpq s ASP 393 Ca 0.01 -0.33 0.01 0.00 0.43 0.00 0.00 52.55 52.68 3dpq s ASP 393 Cb -0.12 -2.53 -0.01 0.00 -0.30 0.00 0.00 42.92 39.96 3dpq s ASP 393 CO -0.07 -1.62 0.02 0.68 -0.17 0.00 0.00 175.17 174.01 3dpq s VAL 394 N 5.12 1.06 -0.56 1.11 -7.23 -1.26 -2.33 120.40 116.31 3dpq s VAL 394 Ca 0.35 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.34 3dpq s VAL 394 Cb -0.09 -2.18 0.09 0.00 0.56 0.00 0.00 36.38 34.76 3dpq s VAL 394 CO 0.18 0.00 0.64 0.42 -0.31 0.00 0.00 175.10 176.03 3dpq s THR 395 N -2.93 4.91 -0.22 5.32 -4.23 0.26 -4.83 115.64 113.92 3dpq s THR 395 Ca 0.08 -0.93 0.27 0.00 -1.18 0.00 0.00 61.69 59.93 3dpq s THR 395 Cb 0.02 -4.40 0.35 0.00 1.34 0.00 0.00 72.50 69.81 3dpq s THR 395 CO 0.05 -0.98 1.76 1.55 -0.54 0.00 0.00 174.62 176.45 3dpq h PRO 396 N 9.08 0.00 -6.19 3.99 0.13 -1.93 4.68 132.00 141.76 3dpq h PRO 396 Ca -0.29 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.29 3dpq h PRO 396 Cb 1.09 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.13 3dpq h PRO 396 CO 1.04 0.01 -0.63 -0.51 -0.23 0.00 0.00 178.00 177.69 3dpq s LEU 397 N -6.21 3.24 0.14 1.56 1.43 -1.26 -4.26 118.68 113.32 3dpq s LEU 397 Ca 0.05 -0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 52.21 3dpq s LEU 397 Cb 0.07 -1.75 -0.07 0.00 0.03 0.00 0.00 46.19 44.46 3dpq s LEU 397 CO 0.62 -0.03 1.09 -0.44 0.23 0.00 0.00 176.35 177.82 3dpq s SER 398 N -3.70 7.27 0.04 2.29 0.01 -1.25 -3.75 113.70 114.62 3dpq s SER 398 Ca 0.32 2.01 0.03 0.00 1.31 0.00 0.00 55.95 59.62 3dpq s SER 398 Cb -0.06 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 3dpq s SER 398 CO 0.20 -0.25 0.00 -0.76 0.41 0.00 0.00 173.24 172.85 3dpq s LEU 399 N 0.02 3.49 0.00 2.44 1.43 0.55 0.32 118.68 126.93 3dpq s LEU 399 Ca 0.51 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 3dpq s LEU 399 Cb -0.28 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 43.83 3dpq s LEU 399 CO 0.33 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.75 3dpq n GLY 400 N 0.99 -0.75 0.00 -3.19 0.00 0.11 -2.75 105.19 99.60 3dpq n GLY 400 Ca -0.13 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3dpq n GLY 400 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3dpq n ILE 401 N 2.31 0.00 -3.34 -0.61 -5.35 -1.19 -0.62 119.36 110.55 3dpq n ILE 401 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3dpq n ILE 401 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 3dpq n ILE 401 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 3dpq n GLU 402 N 0.00 0.00 -3.80 6.28 0.28 -1.26 -2.54 120.64 119.60 3dpq n GLU 402 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.96 3dpq n GLU 402 Cb 0.00 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 32.87 3dpq n GLU 402 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3dpq s THR 403 N -1.74 0.00 0.19 3.84 -4.23 -0.91 -4.77 115.64 108.02 3dpq s THR 403 Ca 0.00 -0.73 -0.32 0.00 -1.18 0.00 0.00 61.69 59.46 3dpq s THR 403 Cb 0.00 -2.29 -0.12 0.00 1.34 0.00 0.00 72.50 71.43 3dpq s THR 403 CO 0.00 0.00 1.75 0.80 -0.54 0.00 0.00 174.62 176.63 3dpq n MET 404 N -0.53 2.75 0.00 3.99 1.56 -1.26 -0.81 117.12 122.82 3dpq n MET 404 Ca -0.05 0.99 0.00 0.00 -0.27 0.00 0.00 57.70 58.37 3dpq n MET 404 Cb 0.60 -2.85 0.00 0.00 2.15 0.00 0.00 33.22 33.12 3dpq n MET 404 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3dpq n GLY 405 N 4.01 0.36 2.41 -5.12 0.00 -1.26 -4.28 105.19 101.30 3dpq n GLY 405 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 3dpq n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dpq n GLY 406 N -1.97 -0.01 3.94 -0.02 0.00 0.01 -4.99 105.19 102.14 3dpq n GLY 406 Ca 0.00 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 3dpq n GLY 406 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dpq s VAL 407 N -3.21 5.12 -0.18 1.61 1.01 -1.15 -2.65 120.40 120.96 3dpq s VAL 407 Ca 0.01 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 3dpq s VAL 407 Cb -0.01 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 3dpq s VAL 407 CO 0.42 -0.50 -0.04 -0.32 0.00 0.00 0.00 175.10 174.66 3dpq s MET 408 N -4.18 3.56 0.30 2.72 1.75 -1.15 -2.13 119.30 120.17 3dpq s MET 408 Ca 0.39 -0.57 0.09 0.00 -1.25 0.00 0.00 55.69 54.36 3dpq s MET 408 Cb -0.10 -2.94 -0.05 0.00 2.84 0.00 0.00 34.83 34.59 3dpq s MET 408 CO 0.35 0.09 0.04 0.99 -0.65 0.00 0.00 175.02 175.83 3dpq s THR 409 N 0.75 3.13 -0.12 10.11 2.01 -1.05 -4.92 115.64 125.54 3dpq s THR 409 Ca -0.02 -1.87 -0.01 0.00 0.31 0.00 0.00 61.69 60.10 3dpq s THR 409 Cb -0.15 -2.86 0.04 0.00 0.01 0.00 0.00 72.50 69.54 3dpq s THR 409 CO 0.02 -0.28 -0.01 -0.89 -0.69 0.00 0.00 174.62 172.77 3dpq s THR 410 N -2.40 0.63 -0.02 -0.82 2.01 -1.26 -3.20 115.64 110.58 3dpq s THR 410 Ca 0.34 -0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.10 3dpq s THR 410 Cb -0.04 -0.86 -0.00 0.00 0.01 0.00 0.00 72.50 71.61 3dpq s THR 410 CO 0.20 0.14 -0.01 -0.07 -0.69 0.00 0.00 174.62 174.19 3dpq h LEU 411 N 8.25 0.00 -8.85 4.42 -0.00 -1.91 -3.45 115.31 113.76 3dpq h LEU 411 Ca -0.21 0.00 -0.64 0.00 -0.00 0.00 0.00 57.88 57.03 3dpq h LEU 411 Cb 1.12 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 41.62 3dpq h LEU 411 CO 0.32 0.13 -0.33 -0.63 -0.00 0.00 0.00 178.44 177.94 3dpq s ILE 412 N -1.17 5.21 -0.12 1.22 1.01 -1.12 -4.95 121.20 121.28 3dpq s ILE 412 Ca -0.01 0.27 -0.07 0.00 0.00 0.00 0.00 60.65 60.84 3dpq s ILE 412 Cb 0.00 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 3dpq s ILE 412 CO 0.01 0.09 0.13 0.00 0.00 0.00 0.00 174.94 175.18 3dpq s ALA 413 N 1.97 3.85 0.04 9.38 0.00 -1.26 0.21 121.76 135.94 3dpq s ALA 413 Ca 0.12 -0.65 -0.26 0.00 0.00 0.00 0.00 51.96 51.17 3dpq s ALA 413 Cb -0.16 -1.96 -0.14 0.00 0.00 0.00 0.00 23.12 20.86 3dpq s ALA 413 CO 0.11 0.60 0.65 0.36 0.00 0.00 0.00 175.76 177.48 3dpq n LYS 414 N 2.05 0.00 -2.67 0.00 2.85 -1.25 -1.97 118.16 117.18 3dpq n LYS 414 Ca -0.20 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 56.92 3dpq n LYS 414 Cb 0.55 -0.96 0.02 0.00 -0.65 0.00 0.00 35.03 33.98 3dpq n LYS 414 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3dpq n ASN 415 N 1.17 -4.42 -4.74 -5.58 5.03 1.53 -4.91 115.26 103.35 3dpq n ASN 415 Ca 0.14 -0.16 -0.39 0.00 0.87 0.00 0.00 54.58 55.04 3dpq n ASN 415 Cb 0.09 -3.34 -0.05 0.00 -1.02 0.00 0.00 39.78 35.46 3dpq n ASN 415 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3dpq s THR 416 N -2.90 4.97 0.61 3.41 2.01 -0.83 -4.66 115.64 118.26 3dpq s THR 416 Ca 0.16 1.34 -0.17 0.00 0.31 0.00 0.00 61.69 63.34 3dpq s THR 416 Cb -0.07 -3.99 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 3dpq s THR 416 CO 0.20 0.33 1.12 0.42 -0.69 0.00 0.00 174.62 176.01 3dpq s THR 417 N 0.32 3.18 0.25 -0.82 -4.23 -1.26 0.91 115.64 113.98 3dpq s THR 417 Ca 0.34 0.62 0.04 0.00 -1.18 0.00 0.00 61.69 61.51 3dpq s THR 417 Cb -0.18 -3.17 -0.03 0.00 1.34 0.00 0.00 72.50 70.46 3dpq s THR 417 CO 0.18 -0.27 0.38 0.27 -0.54 0.00 0.00 174.62 174.64 3dpq s ILE 418 N -2.10 5.24 0.62 2.99 -4.36 -0.98 -4.08 121.20 118.52 3dpq s ILE 418 Ca 0.70 -0.85 -0.12 0.00 -0.26 0.00 0.00 60.65 60.12 3dpq s ILE 418 Cb -0.22 -3.84 -0.04 0.00 1.25 0.00 0.00 42.46 39.61 3dpq s ILE 418 CO 0.36 -0.34 1.03 -2.16 0.24 0.00 0.00 174.94 174.07 3dpq s PRO 419 N -3.93 3.54 0.20 0.37 0.05 -1.26 -4.99 135.00 128.98 3dpq s PRO 419 Ca 0.35 0.81 -0.16 0.00 0.05 0.00 0.00 61.00 62.05 3dpq s PRO 419 Cb -0.09 -2.07 0.02 0.00 0.05 0.00 0.00 34.50 32.40 3dpq s PRO 419 CO 0.30 -0.61 0.50 -0.08 0.05 0.00 0.00 177.00 177.16 3dpq s THR 420 N -3.08 0.03 0.09 1.26 -1.32 -0.78 -5.04 115.64 106.79 3dpq s THR 420 Ca 0.56 -0.94 -0.21 0.00 -1.21 0.00 0.00 61.69 59.89 3dpq s THR 420 Cb -0.11 -1.70 0.05 0.00 -1.51 0.00 0.00 72.50 69.23 3dpq s THR 420 CO 0.51 -0.12 0.52 -0.75 -2.21 0.00 0.00 174.62 172.57 3dpq s LYS 421 N -3.90 1.10 -0.18 7.08 2.20 -1.26 -0.29 119.74 124.49 3dpq s LYS 421 Ca 0.12 -0.38 -0.28 0.00 -0.36 0.00 0.00 55.97 55.07 3dpq s LYS 421 Cb -0.01 0.50 0.08 0.00 -1.51 0.00 0.00 37.83 36.89 3dpq s LYS 421 CO -0.01 -0.43 0.76 -1.58 -0.36 0.00 0.00 175.35 173.74 3dpq s HIS 422 N -3.01 -0.67 0.14 4.03 2.46 0.20 -4.99 115.29 113.44 3dpq s HIS 422 Ca -0.02 1.42 0.06 0.00 0.47 0.00 0.00 55.06 56.99 3dpq s HIS 422 Cb -0.00 0.35 -0.04 0.00 -0.13 0.00 0.00 32.58 32.76 3dpq s HIS 422 CO -0.06 -0.45 -0.13 -1.12 -2.47 0.00 0.00 174.74 170.51 3dpq s SER 423 N -0.38 2.01 0.20 9.88 0.01 -1.26 0.36 113.70 124.52 3dpq s SER 423 Ca -0.04 -0.87 -0.18 0.00 1.31 0.00 0.00 55.95 56.17 3dpq s SER 423 Cb -0.03 -0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.17 3dpq s SER 423 CO 0.04 -0.19 0.54 -1.58 0.41 0.00 0.00 173.24 172.46 3dpq s GLN 424 N -2.99 1.40 -0.15 12.44 0.74 -0.98 -5.02 119.66 125.11 3dpq s GLN 424 Ca 0.12 -0.84 -0.05 0.00 0.05 0.00 0.00 55.36 54.63 3dpq s GLN 424 Cb -0.03 0.53 -0.04 0.00 1.10 0.00 0.00 33.01 34.58 3dpq s GLN 424 CO 0.03 -0.60 0.03 0.08 -0.55 0.00 0.00 175.29 174.28 3dpq s VAL 425 N -3.87 4.51 0.47 1.34 1.01 -1.26 -2.11 120.40 120.50 3dpq s VAL 425 Ca 0.09 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.94 3dpq s VAL 425 Cb -0.01 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 3dpq s VAL 425 CO -0.03 0.52 0.07 -0.36 0.00 0.00 0.00 175.10 175.30 3dpq s PHE 426 N -0.08 1.79 0.00 5.22 0.40 0.34 -4.96 117.98 120.70 3dpq s PHE 426 Ca 0.05 -1.15 0.00 0.00 -0.60 0.00 0.00 56.93 55.23 3dpq s PHE 426 Cb -0.12 -1.38 0.00 0.00 0.51 0.00 0.00 43.02 42.03 3dpq s PHE 426 CO 0.02 -0.06 0.00 0.45 0.70 0.00 0.00 175.22 176.33 3dpq n SER 427 N -1.35 0.00 -4.82 1.36 2.88 -1.26 -0.85 113.62 109.58 3dpq n SER 427 Ca -0.14 -0.61 -0.36 0.00 -1.33 0.00 0.00 58.87 56.43 3dpq n SER 427 Cb 0.66 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.05 3dpq n SER 427 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3dpq s THR 428 N -2.62 5.42 -0.02 2.46 -4.23 -1.26 -4.89 115.64 110.51 3dpq s THR 428 Ca 0.00 0.28 0.30 0.00 -1.18 0.00 0.00 61.69 61.09 3dpq s THR 428 Cb 0.00 -3.47 0.36 0.00 1.34 0.00 0.00 72.50 70.73 3dpq s THR 428 CO 0.00 0.54 1.88 0.00 -0.54 0.00 0.00 174.62 176.50 3dpq h ALA 429 N 5.61 1.00 -3.32 3.99 0.00 -1.95 -2.67 119.26 121.91 3dpq h ALA 429 Ca -0.49 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.19 3dpq h ALA 429 Cb 1.20 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.74 3dpq h ALA 429 CO 0.65 0.05 -0.70 -1.21 0.00 0.00 0.00 179.25 178.04 3dpq s GLU 430 N -3.56 0.17 -0.03 0.00 0.41 -1.26 -4.92 118.70 109.51 3dpq s GLU 430 Ca 0.02 -0.32 -0.33 0.00 -0.41 0.00 0.00 54.97 53.94 3dpq s GLU 430 Cb 0.08 0.06 -0.11 0.00 -1.78 0.00 0.00 34.13 32.39 3dpq s GLU 430 CO 0.59 -0.03 1.92 -0.25 -0.49 0.00 0.00 175.26 176.99 3dpq n ASP 431 N 2.29 3.74 -0.71 -0.19 8.00 -1.26 -2.50 116.55 125.92 3dpq n ASP 431 Ca -0.18 0.95 -0.01 0.00 0.71 0.00 0.00 54.79 56.25 3dpq n ASP 431 Cb 0.57 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 3dpq n ASP 431 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dpq n ASN 432 N 6.96 -2.14 -4.41 -2.24 3.02 0.68 -4.82 115.26 112.30 3dpq n ASN 432 Ca 0.22 -0.02 -0.44 0.00 -0.03 0.00 0.00 54.58 54.30 3dpq n ASN 432 Cb 0.34 -0.68 -0.04 0.00 -0.61 0.00 0.00 39.78 38.79 3dpq n ASN 432 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3dpq s GLN 433 N -4.86 3.09 0.00 3.52 0.74 -1.04 -4.90 119.66 116.21 3dpq s GLN 433 Ca 0.02 -1.07 0.17 0.00 0.05 0.00 0.00 55.36 54.53 3dpq s GLN 433 Cb -0.01 -4.23 0.97 0.00 1.10 0.00 0.00 33.01 30.84 3dpq s GLN 433 CO 0.03 -1.59 1.63 -1.13 -0.55 0.00 0.00 175.29 173.68 3dpq n SER 434 N 6.79 0.18 -3.60 6.67 3.41 -1.26 -4.69 113.62 121.11 3dpq n SER 434 Ca -0.07 -1.50 -0.14 0.00 -0.26 0.00 0.00 58.87 56.89 3dpq n SER 434 Cb 0.44 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.31 3dpq n SER 434 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dpq s ALA 435 N -1.98 -1.80 -0.02 7.33 0.00 -1.26 -0.92 121.76 123.10 3dpq s ALA 435 Ca 0.26 1.83 0.04 0.00 0.00 0.00 0.00 51.96 54.09 3dpq s ALA 435 Cb 0.12 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 3dpq s ALA 435 CO 0.20 -0.33 -0.14 0.14 0.00 0.00 0.00 175.76 175.63 3dpq s VAL 436 N -0.05 1.11 -0.20 0.00 -7.23 -0.49 -4.97 120.40 108.56 3dpq s VAL 436 Ca -0.02 -0.57 -0.12 0.00 -1.81 0.00 0.00 61.98 59.45 3dpq s VAL 436 Cb -0.04 -0.94 -0.05 0.00 0.56 0.00 0.00 36.38 35.91 3dpq s VAL 436 CO 0.02 0.32 0.24 -0.89 -0.31 0.00 0.00 175.10 174.48 3dpq s THR 437 N -0.11 5.32 -0.47 5.32 2.01 -1.26 0.37 115.64 126.83 3dpq s THR 437 Ca 0.01 0.39 -0.10 0.00 0.31 0.00 0.00 61.69 62.30 3dpq s THR 437 Cb -0.08 -3.58 0.11 0.00 0.01 0.00 0.00 72.50 68.96 3dpq s THR 437 CO 0.00 0.36 0.35 -0.63 -0.69 0.00 0.00 174.62 174.01 3dpq s ILE 438 N 0.81 4.39 -0.33 1.82 -1.09 -0.02 -5.00 121.20 121.77 3dpq s ILE 438 Ca 0.12 -1.63 -0.15 0.00 -2.23 0.00 0.00 60.65 56.76 3dpq s ILE 438 Cb -0.13 -3.82 -0.01 0.00 -1.58 0.00 0.00 42.46 36.92 3dpq s ILE 438 CO 0.04 -0.71 0.38 -1.00 -1.23 0.00 0.00 174.94 172.41 3dpq s HIS 439 N 1.42 3.21 -0.20 3.97 3.76 -1.26 -1.70 115.29 124.49 3dpq s HIS 439 Ca 0.05 0.06 -0.17 0.00 -0.15 0.00 0.00 55.06 54.84 3dpq s HIS 439 Cb -0.26 -2.69 -0.03 0.00 1.11 0.00 0.00 32.58 30.71 3dpq s HIS 439 CO 0.01 -0.42 0.47 0.08 -0.85 0.00 0.00 174.74 174.03 3dpq s VAL 440 N 2.07 5.14 0.04 -0.90 1.01 -0.12 -4.11 120.40 123.53 3dpq s VAL 440 Ca 0.13 0.85 0.04 0.00 0.00 0.00 0.00 61.98 63.00 3dpq s VAL 440 Cb -0.16 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 3dpq s VAL 440 CO 0.12 0.20 -0.11 -0.76 0.00 0.00 0.00 175.10 174.55 3dpq s LEU 441 N 1.52 2.18 -0.09 3.92 1.43 0.21 0.13 118.68 127.98 3dpq s LEU 441 Ca 0.22 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 3dpq s LEU 441 Cb -0.15 -0.45 -0.01 0.00 0.03 0.00 0.00 46.19 45.62 3dpq s LEU 441 CO 0.09 -0.03 -0.21 -1.58 0.23 0.00 0.00 176.35 174.85 3dpq s GLN 442 N -1.19 2.98 0.00 1.70 0.74 -0.94 0.06 119.66 123.00 3dpq s GLN 442 Ca -0.02 -0.83 0.00 0.00 0.05 0.00 0.00 55.36 54.57 3dpq s GLN 442 Cb -0.08 -2.35 0.00 0.00 1.10 0.00 0.00 33.01 31.68 3dpq s GLN 442 CO 0.01 0.26 0.00 0.41 -0.55 0.00 0.00 175.29 175.42 3dpq n GLY 443 N 3.32 1.50 0.20 2.59 0.00 0.15 -2.72 105.19 110.23 3dpq n GLY 443 Ca -0.18 -1.05 0.05 0.00 0.00 0.00 0.00 46.02 44.84 3dpq n GLY 443 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dpq n GLU 444 N -0.77 2.33 -2.69 1.61 -0.58 -1.26 -3.88 120.64 115.39 3dpq n GLU 444 Ca 0.00 -0.50 -0.36 0.00 -0.42 0.00 0.00 57.16 55.88 3dpq n GLU 444 Cb 0.00 -1.10 -0.05 0.00 -0.57 0.00 0.00 31.44 29.72 3dpq n GLU 444 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3dpq s ARG 445 N -1.59 4.31 0.03 3.49 1.81 -1.26 -4.98 118.95 120.77 3dpq s ARG 445 Ca 0.08 1.36 0.17 0.00 -1.72 0.00 0.00 55.73 55.62 3dpq s ARG 445 Cb 0.09 -2.54 -0.16 0.00 -0.45 0.00 0.00 34.95 31.89 3dpq s ARG 445 CO 0.32 0.02 0.74 1.17 -0.68 0.00 0.00 175.30 176.87 3dpq n LYS 446 N -0.01 0.63 -2.80 3.54 3.00 -1.26 -4.39 118.16 116.87 3dpq n LYS 446 Ca 0.05 0.19 -0.43 0.00 -0.00 0.00 0.00 58.31 58.12 3dpq n LYS 446 Cb 0.51 -1.77 -0.03 0.00 0.00 0.00 0.00 35.03 33.74 3dpq n LYS 446 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3dpq s ARG 447 N -2.90 3.62 0.00 1.64 0.52 -1.26 -2.94 118.95 117.63 3dpq s ARG 447 Ca -0.04 -1.58 0.00 0.00 -0.52 0.00 0.00 55.73 53.59 3dpq s ARG 447 Cb 0.09 -5.09 0.00 0.00 0.52 0.00 0.00 34.95 30.47 3dpq s ARG 447 CO 0.82 -1.93 0.00 0.00 0.02 0.00 0.00 175.30 174.21 3dpq n ALA 448 N 7.34 0.69 0.10 2.13 0.00 -1.08 0.34 120.51 130.03 3dpq n ALA 448 Ca 0.28 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.74 3dpq n ALA 448 Cb 0.49 -0.57 0.03 0.00 0.00 0.00 0.00 19.45 19.40 3dpq n ALA 448 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dpq n ALA 449 N 0.05 2.35 0.15 0.00 0.00 -1.26 -4.29 120.51 117.51 3dpq n ALA 449 Ca 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 53.44 52.74 3dpq n ALA 449 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 19.45 19.28 3dpq n ALA 449 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dpq n ASP 450 N 0.13 0.53 -4.85 0.00 8.00 1.04 -4.96 116.55 116.45 3dpq n ASP 450 Ca 0.03 -0.77 -0.36 0.00 0.71 0.00 0.00 54.79 54.41 3dpq n ASP 450 Cb 0.18 0.67 -0.06 0.00 -0.02 0.00 0.00 41.12 41.90 3dpq n ASP 450 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3dpq s ASN 451 N -0.97 6.72 0.08 -2.24 0.01 -1.21 -4.90 114.94 112.42 3dpq s ASN 451 Ca 0.02 0.89 -0.31 0.00 -0.71 0.00 0.00 52.86 52.76 3dpq s ASN 451 Cb 0.03 -2.22 -0.07 0.00 0.41 0.00 0.00 41.25 39.40 3dpq s ASN 451 CO 0.10 0.20 1.38 -0.75 -1.51 0.00 0.00 177.10 176.52 3dpq s LYS 452 N -1.69 4.32 -0.14 -0.60 2.47 -1.10 -4.88 119.74 118.11 3dpq s LYS 452 Ca 0.31 2.02 -0.29 0.00 -1.56 0.00 0.00 55.97 56.45 3dpq s LYS 452 Cb -0.15 -3.36 -0.01 0.00 -1.46 0.00 0.00 37.83 32.85 3dpq s LYS 452 CO 0.17 -0.46 1.12 0.45 0.16 0.00 0.00 175.35 176.79 3dpq s SER 453 N 1.35 7.09 0.17 1.43 0.15 -1.26 -2.22 113.70 120.40 3dpq s SER 453 Ca 0.64 1.59 0.23 0.00 0.70 0.00 0.00 55.95 59.11 3dpq s SER 453 Cb -0.35 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.40 3dpq s SER 453 CO 0.29 -0.62 1.00 0.18 1.20 0.00 0.00 173.24 175.29 3dpq n LEU 454 N 5.80 0.74 0.00 3.45 4.77 0.35 -4.96 117.00 127.16 3dpq n LEU 454 Ca 0.11 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3dpq n LEU 454 Cb 0.46 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3dpq n LEU 454 CO 0.54 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3dpq n GLY 455 N 1.21 -0.51 0.00 -0.72 0.00 -1.16 -4.99 105.19 99.01 3dpq n GLY 455 Ca -0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3dpq n GLY 455 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dpq n GLN 456 N 0.00 0.00 -4.02 1.61 10.64 -1.26 -0.95 117.38 123.40 3dpq n GLN 456 Ca 0.00 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.07 3dpq n GLN 456 Cb 0.00 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.30 3dpq n GLN 456 CO 0.00 0.00 0.00 -0.59 -1.83 0.00 0.00 177.06 174.64 3dpq s PHE 457 N -0.89 0.54 0.04 2.61 -0.71 -0.69 -5.01 117.98 113.87 3dpq s PHE 457 Ca 0.00 -0.91 -0.00 0.00 -1.04 0.00 0.00 56.93 54.98 3dpq s PHE 457 Cb 0.00 -0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.58 3dpq s PHE 457 CO 0.00 -0.66 0.17 -0.80 -1.34 0.00 0.00 175.22 172.59 3dpq s ASN 458 N -2.99 6.17 -0.48 1.98 0.02 -1.26 -0.84 114.94 117.54 3dpq s ASN 458 Ca 0.19 0.23 0.03 0.00 -1.02 0.00 0.00 52.86 52.30 3dpq s ASN 458 Cb 0.05 -1.87 0.15 0.00 0.02 0.00 0.00 41.25 39.60 3dpq s ASN 458 CO 0.01 0.20 0.31 -0.22 0.02 0.00 0.00 177.10 177.42 3dpq s LEU 459 N -2.27 2.64 0.66 0.60 2.96 0.16 -4.86 118.68 118.57 3dpq s LEU 459 Ca 0.31 -2.95 -0.03 0.00 -0.22 0.00 0.00 54.13 51.24 3dpq s LEU 459 Cb -0.13 -0.95 0.06 0.00 0.50 0.00 0.00 46.19 45.68 3dpq s LEU 459 CO 0.23 -0.21 0.93 1.51 -1.32 0.00 0.00 176.35 177.50 3dpq s ASP 460 N -0.02 4.89 0.00 3.68 1.47 -1.26 -1.40 116.67 124.03 3dpq s ASP 460 Ca 0.23 0.20 0.00 0.00 1.18 0.00 0.00 52.55 54.16 3dpq s ASP 460 Cb -0.13 -0.90 0.00 0.00 -0.34 0.00 0.00 42.92 41.55 3dpq s ASP 460 CO -0.08 -1.49 0.00 0.61 0.68 0.00 0.00 175.17 174.89 3dpq n GLY 461 N -2.73 0.95 3.70 2.12 0.00 -0.18 -4.91 105.19 104.15 3dpq n GLY 461 Ca 0.09 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3dpq n GLY 461 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dpq s ILE 462 N -2.00 3.39 0.72 -0.61 1.01 -0.10 -4.78 121.20 118.83 3dpq s ILE 462 Ca 0.00 0.91 -0.11 0.00 0.00 0.00 0.00 60.65 61.44 3dpq s ILE 462 Cb 0.00 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.91 3dpq s ILE 462 CO 0.00 0.03 1.08 0.20 0.00 0.00 0.00 174.94 176.25 3dpq s ASN 463 N 1.61 5.02 0.17 3.58 0.02 -1.26 -4.25 114.94 119.83 3dpq s ASN 463 Ca 0.66 1.74 -0.33 0.00 -1.02 0.00 0.00 52.86 53.91 3dpq s ASN 463 Cb -0.35 -2.51 -0.15 0.00 0.02 0.00 0.00 41.25 38.25 3dpq s ASN 463 CO 0.29 -1.69 1.26 -2.65 0.02 0.00 0.00 177.10 174.34 3dpq n PRO 464 N -3.17 1.37 -3.60 -0.60 -0.01 -1.26 -4.76 135.00 122.98 3dpq n PRO 464 Ca 0.08 0.49 -0.07 0.00 -0.01 0.00 0.00 63.50 63.99 3dpq n PRO 464 Cb 0.53 -2.06 -0.05 0.00 -0.01 0.00 0.00 33.50 31.92 3dpq n PRO 464 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3dpq s ALA 465 N 0.01 -2.00 0.31 3.55 0.00 -1.26 -4.97 121.76 117.39 3dpq s ALA 465 Ca 0.74 1.68 -0.29 0.00 0.00 0.00 0.00 51.96 54.09 3dpq s ALA 465 Cb -0.82 -0.94 -0.11 0.00 0.00 0.00 0.00 23.12 21.25 3dpq s ALA 465 CO 0.50 -0.30 1.46 -2.14 0.00 0.00 0.00 175.76 175.28 3dpq s PRO 466 N -1.17 4.21 -0.29 0.00 0.02 -1.26 -0.23 135.00 136.28 3dpq s PRO 466 Ca 0.02 2.42 -0.42 0.00 0.02 0.00 0.00 61.00 63.04 3dpq s PRO 466 Cb -0.01 -3.05 -0.17 0.00 0.02 0.00 0.00 34.50 31.29 3dpq s PRO 466 CO -0.02 -0.45 1.63 2.89 -0.33 0.00 0.00 177.00 180.71 3dpq n ARG 467 N 1.53 0.75 0.00 5.54 1.85 -1.26 -0.53 116.66 124.54 3dpq n ARG 467 Ca 0.04 0.27 0.00 0.00 -1.00 0.00 0.00 57.85 57.17 3dpq n ARG 467 Cb 0.40 -1.89 0.00 0.00 -1.05 0.00 0.00 32.46 29.92 3dpq n ARG 467 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3dpq n GLY 468 N 3.82 1.09 0.18 2.89 0.00 -1.01 -4.87 105.19 107.30 3dpq n GLY 468 Ca 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.23 3dpq n GLY 468 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3dpq h MET 469 N 2.30 -0.35 -6.44 1.61 2.86 -1.13 -3.46 114.93 110.32 3dpq h MET 469 Ca 0.00 0.02 -0.61 0.00 -2.06 0.00 0.00 59.70 57.06 3dpq h MET 469 Cb 0.00 0.08 0.12 0.00 0.06 0.00 0.00 31.60 31.86 3dpq h MET 469 CO 0.00 -0.23 0.02 -2.30 1.06 0.00 0.00 176.91 175.46 3dpq n PRO 470 N -4.87 1.16 -3.73 -0.22 -0.02 -1.26 -4.94 135.00 121.11 3dpq n PRO 470 Ca -0.04 0.41 -0.38 0.00 -2.02 0.00 0.00 63.50 61.47 3dpq n PRO 470 Cb 0.14 -1.77 -0.12 0.00 -0.02 0.00 0.00 33.50 31.73 3dpq n PRO 470 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3dpq s GLN 471 N -1.58 2.95 -0.23 -0.52 -1.52 -1.26 -4.48 119.66 113.03 3dpq s GLN 471 Ca 0.60 -0.96 -0.06 0.00 -1.95 0.00 0.00 55.36 52.99 3dpq s GLN 471 Cb -0.69 -3.45 -0.02 0.00 -0.22 0.00 0.00 33.01 28.63 3dpq s GLN 471 CO 0.59 -0.53 0.03 0.42 -0.25 0.00 0.00 175.29 175.55 3dpq s ILE 472 N 1.49 4.04 -0.35 1.08 -1.09 -0.03 -2.02 121.20 124.32 3dpq s ILE 472 Ca 0.02 -0.27 -0.15 0.00 -2.23 0.00 0.00 60.65 58.01 3dpq s ILE 472 Cb -0.18 -2.86 -0.01 0.00 -1.58 0.00 0.00 42.46 37.83 3dpq s ILE 472 CO 0.03 0.39 0.35 -0.70 -1.23 0.00 0.00 174.94 173.78 3dpq s GLU 473 N 1.35 3.48 0.22 2.79 2.12 0.31 -0.50 118.70 128.47 3dpq s GLU 473 Ca 0.05 -0.51 -0.09 0.00 0.36 0.00 0.00 54.97 54.77 3dpq s GLU 473 Cb -0.15 -3.83 -0.07 0.00 0.26 0.00 0.00 34.13 30.34 3dpq s GLU 473 CO 0.02 -0.56 0.54 0.08 -0.54 0.00 0.00 175.26 174.80 3dpq s VAL 474 N 1.97 4.95 -0.03 3.70 1.01 -0.90 0.19 120.40 131.29 3dpq s VAL 474 Ca 0.11 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.54 3dpq s VAL 474 Cb -0.17 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.61 3dpq s VAL 474 CO 0.12 -0.06 -0.04 -0.89 0.00 0.00 0.00 175.10 174.22 3dpq s THR 475 N -1.80 0.48 -0.26 3.92 2.01 0.83 -2.33 115.64 118.50 3dpq s THR 475 Ca 0.47 -0.13 -0.08 0.00 0.31 0.00 0.00 61.69 62.26 3dpq s THR 475 Cb -0.11 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 3dpq s THR 475 CO 0.21 0.20 0.08 -0.36 -0.69 0.00 0.00 174.62 174.07 3dpq s PHE 476 N 0.70 3.11 -0.07 4.92 0.40 0.16 -1.04 117.98 126.15 3dpq s PHE 476 Ca -0.09 -0.49 0.03 0.00 -0.60 0.00 0.00 56.93 55.77 3dpq s PHE 476 Cb -0.12 -2.26 0.01 0.00 0.51 0.00 0.00 43.02 41.16 3dpq s PHE 476 CO -0.00 -0.39 -0.14 0.34 0.70 0.00 0.00 175.22 175.72 3dpq s ASP 477 N 1.61 1.99 -0.03 1.36 2.15 0.35 0.59 116.67 124.69 3dpq s ASP 477 Ca 0.06 -0.34 0.01 0.00 0.43 0.00 0.00 52.55 52.71 3dpq s ASP 477 Cb -0.16 -0.90 0.02 0.00 -0.30 0.00 0.00 42.92 41.58 3dpq s ASP 477 CO 0.04 0.06 -0.03 -0.63 -0.17 0.00 0.00 175.17 174.44 3dpq s ILE 478 N 0.57 0.35 0.54 4.11 1.01 0.60 0.31 121.20 128.69 3dpq s ILE 478 Ca -0.15 -0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.51 3dpq s ILE 478 Cb -0.16 -0.38 0.04 0.00 0.01 0.00 0.00 42.46 41.97 3dpq s ILE 478 CO 0.04 0.16 0.42 1.51 0.00 0.00 0.00 174.94 177.08 3dpq s ASP 479 N 0.73 4.67 0.60 3.58 1.47 -1.14 -1.86 116.67 124.72 3dpq s ASP 479 Ca -0.08 -1.21 0.30 0.00 1.18 0.00 0.00 52.55 52.75 3dpq s ASP 479 Cb -0.12 0.37 1.76 0.00 -0.34 0.00 0.00 42.92 44.59 3dpq s ASP 479 CO -0.01 -1.10 2.14 0.00 0.68 0.00 0.00 175.17 176.89 3dpq h ALA 480 N 0.73 1.65 0.00 2.11 0.00 -1.95 3.71 119.26 125.51 3dpq h ALA 480 Ca -0.37 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 3dpq h ALA 480 Cb 1.30 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3dpq h ALA 480 CO 0.56 -0.22 -1.02 -0.44 0.00 0.00 0.00 179.25 178.13 3dpq h ASP 481 N 0.00 0.00 -0.17 0.00 3.32 -2.02 -3.48 116.42 114.07 3dpq h ASP 481 Ca 0.06 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3dpq h ASP 481 Cb 0.38 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 3dpq h ASP 481 CO -0.00 0.58 -0.03 0.61 -1.72 0.00 0.00 179.24 178.68 3dpq n GLY 482 N 1.32 0.33 3.67 2.75 0.00 1.23 -4.92 105.19 109.57 3dpq n GLY 482 Ca -0.04 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 3dpq n GLY 482 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dpq s ILE 483 N -2.06 4.92 -0.36 -0.61 1.01 -1.26 -4.42 121.20 118.41 3dpq s ILE 483 Ca 0.00 1.53 -0.14 0.00 0.00 0.00 0.00 60.65 62.04 3dpq s ILE 483 Cb 0.00 -4.09 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 3dpq s ILE 483 CO 0.00 0.06 0.29 -0.22 0.00 0.00 0.00 174.94 175.07 3dpq s LEU 484 N 2.01 4.65 -0.19 2.97 2.96 -0.99 -2.87 118.68 127.22 3dpq s LEU 484 Ca 0.36 -0.50 -0.17 0.00 -0.22 0.00 0.00 54.13 53.61 3dpq s LEU 484 Cb -0.16 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 3dpq s LEU 484 CO 0.12 -0.33 0.44 -1.00 -1.32 0.00 0.00 176.35 174.27 3dpq s HIS 485 N 1.80 3.39 -0.21 5.38 3.76 0.90 -2.45 115.29 127.86 3dpq s HIS 485 Ca 0.07 0.69 0.01 0.00 -0.15 0.00 0.00 55.06 55.69 3dpq s HIS 485 Cb -0.18 -2.56 0.05 0.00 1.11 0.00 0.00 32.58 31.00 3dpq s HIS 485 CO 0.11 -0.01 -0.11 0.08 -0.85 0.00 0.00 174.74 173.95 3dpq s VAL 486 N 1.31 1.83 0.08 -0.90 1.01 -0.94 0.13 120.40 122.92 3dpq s VAL 486 Ca 0.21 -1.18 0.10 0.00 0.00 0.00 0.00 61.98 61.11 3dpq s VAL 486 Cb -0.15 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 3dpq s VAL 486 CO 0.09 0.15 -0.26 -0.94 0.00 0.00 0.00 175.10 174.13 3dpq s SER 487 N 1.30 3.15 -0.04 3.32 1.04 -0.21 -0.38 113.70 121.89 3dpq s SER 487 Ca -0.03 -0.66 -0.02 0.00 0.48 0.00 0.00 55.95 55.73 3dpq s SER 487 Cb -0.17 -0.25 0.03 0.00 0.10 0.00 0.00 66.02 65.73 3dpq s SER 487 CO -0.08 0.21 0.06 0.00 0.98 0.00 0.00 173.24 174.41 3dpq s ALA 488 N -0.93 0.23 -0.01 5.32 0.00 -0.05 0.29 121.76 126.61 3dpq s ALA 488 Ca 0.12 0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.32 3dpq s ALA 488 Cb -0.10 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 3dpq s ALA 488 CO 0.04 -0.46 -0.15 0.21 0.00 0.00 0.00 175.76 175.39 3dpq s LYS 489 N 2.08 1.23 -0.18 0.00 2.20 0.51 -1.85 119.74 123.74 3dpq s LYS 489 Ca 0.04 -0.58 -0.15 0.00 -0.36 0.00 0.00 55.97 54.92 3dpq s LYS 489 Cb -0.12 -1.20 -0.04 0.00 -1.51 0.00 0.00 37.83 34.96 3dpq s LYS 489 CO -0.03 0.33 0.35 0.34 -0.36 0.00 0.00 175.35 175.98 3dpq s ASP 490 N -0.45 6.45 0.23 1.43 -1.08 -0.91 0.11 116.67 122.46 3dpq s ASP 490 Ca 0.06 0.53 0.11 0.00 -0.52 0.00 0.00 52.55 52.72 3dpq s ASP 490 Cb -0.06 -2.21 0.17 0.00 -1.46 0.00 0.00 42.92 39.36 3dpq s ASP 490 CO -0.00 0.01 1.49 0.11 0.52 0.00 0.00 175.17 177.30 3dpq h LYS 491 N 7.01 0.00 0.00 4.34 1.79 -1.74 -1.30 116.57 126.67 3dpq h LYS 491 Ca -0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 3dpq h LYS 491 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 3dpq h LYS 491 CO 0.74 0.71 0.00 -1.71 -1.08 0.00 0.00 179.45 178.11 3dpq n ASN 492 N -3.56 0.00 0.27 0.86 5.15 -1.26 -4.29 115.26 112.43 3dpq n ASN 492 Ca -0.00 0.27 0.15 0.00 -0.60 0.00 0.00 54.58 54.40 3dpq n ASN 492 Cb 0.73 -0.07 0.67 0.00 -0.53 0.00 0.00 39.78 40.58 3dpq n ASN 492 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 3dpq h SER 493 N 0.00 0.00 0.00 1.20 4.64 -1.87 -3.46 113.55 114.07 3dpq h SER 493 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dpq h SER 493 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3dpq h SER 493 CO 0.00 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 3dpq n GLY 494 N -0.08 1.69 3.77 -0.77 0.00 -0.49 -4.98 105.19 104.33 3dpq n GLY 494 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3dpq n GLY 494 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dpq s LYS 495 N -0.08 4.22 -0.05 1.61 -0.14 -1.25 -4.67 119.74 119.36 3dpq s LYS 495 Ca 0.00 2.42 -0.13 0.00 -1.36 0.00 0.00 55.97 56.90 3dpq s LYS 495 Cb 0.00 -3.02 0.02 0.00 -1.68 0.00 0.00 37.83 33.15 3dpq s LYS 495 CO 0.00 -0.40 0.29 -2.00 -0.76 0.00 0.00 175.35 172.48 3dpq s GLU 496 N -1.70 0.54 0.12 1.68 2.12 -1.26 -2.15 118.70 118.04 3dpq s GLU 496 Ca 0.53 0.02 0.06 0.00 0.36 0.00 0.00 54.97 55.94 3dpq s GLU 496 Cb -0.44 0.24 -0.04 0.00 0.26 0.00 0.00 34.13 34.16 3dpq s GLU 496 CO 0.56 -0.12 -0.15 -0.65 -0.54 0.00 0.00 175.26 174.36 3dpq s GLN 497 N -0.78 1.03 0.12 4.30 -1.52 -0.77 -5.02 119.66 117.01 3dpq s GLN 497 Ca -0.09 -1.20 -0.06 0.00 -1.95 0.00 0.00 55.36 52.06 3dpq s GLN 497 Cb -0.04 -0.99 -0.02 0.00 -0.22 0.00 0.00 33.01 31.74 3dpq s GLN 497 CO 0.03 0.20 0.17 0.15 -0.25 0.00 0.00 175.29 175.59 3dpq s LYS 498 N -2.45 0.94 0.29 2.91 1.02 -1.26 -0.87 119.74 120.32 3dpq s LYS 498 Ca 0.08 -1.15 0.04 0.00 0.02 0.00 0.00 55.97 54.95 3dpq s LYS 498 Cb -0.06 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.53 3dpq s LYS 498 CO 0.03 -0.30 0.20 0.96 -0.92 0.00 0.00 175.35 175.32 3dpq s ILE 499 N -3.94 0.11 0.01 2.17 -4.36 0.48 -5.00 121.20 110.67 3dpq s ILE 499 Ca 0.13 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.55 3dpq s ILE 499 Cb 0.05 -2.50 -0.01 0.00 1.25 0.00 0.00 42.46 41.25 3dpq s ILE 499 CO -0.05 0.00 -0.10 -0.89 0.24 0.00 0.00 174.94 174.15 3dpq s THR 500 N -3.69 0.75 -0.12 8.37 2.01 -1.26 -2.22 115.64 119.49 3dpq s THR 500 Ca 0.38 -0.59 -0.04 0.00 0.31 0.00 0.00 61.69 61.75 3dpq s THR 500 Cb 0.04 -0.67 0.05 0.00 0.01 0.00 0.00 72.50 71.94 3dpq s THR 500 CO 0.20 0.08 0.11 -0.63 -0.69 0.00 0.00 174.62 173.68 3dpq s ILE 501 N -0.49 -0.15 1.12 1.82 1.01 -1.03 -5.03 121.20 118.44 3dpq s ILE 501 Ca 0.01 0.13 -0.19 0.00 0.00 0.00 0.00 60.65 60.60 3dpq s ILE 501 Cb -0.05 -0.39 0.10 0.00 0.01 0.00 0.00 42.46 42.13 3dpq s ILE 501 CO 0.00 -0.05 0.00 0.29 0.00 0.00 0.00 174.94 175.19 3dpq n LYS 502 N 5.30 -1.56 0.09 2.79 5.02 -1.26 -2.34 118.16 126.19 3dpq n LYS 502 Ca -0.05 -0.44 -0.12 0.00 -2.02 0.00 0.00 58.31 55.68 3dpq n LYS 502 Cb 0.50 -1.70 -0.11 0.00 -0.02 0.00 0.00 35.03 33.69 3dpq n LYS 502 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dpq h ALA 503 N -2.05 0.25 0.40 7.82 0.00 -1.92 -3.31 119.26 120.45 3dpq h ALA 503 Ca -0.53 -0.87 -0.02 0.00 0.00 0.00 0.00 54.91 53.49 3dpq h ALA 503 Cb 1.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3dpq h ALA 503 CO 0.38 1.06 -0.19 0.66 0.00 0.00 0.00 179.25 181.16 3dpq h SER 504 N 0.05 -0.45 0.00 0.00 4.64 -1.91 -3.46 113.55 112.43 3dpq h SER 504 Ca -0.08 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3dpq h SER 504 Cb 1.83 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 3dpq h SER 504 CO 0.17 -0.04 0.00 -1.20 -0.87 0.00 0.00 176.83 174.89 3dpq n SER 505 N -5.16 0.00 0.00 4.97 7.64 -1.25 -4.60 113.62 115.22 3dpq n SER 505 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 3dpq n SER 505 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 3dpq n SER 505 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dpq n GLY 506 N 0.00 0.35 3.40 0.23 0.00 -1.26 -4.98 105.19 102.94 3dpq n GLY 506 Ca 0.00 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.28 3dpq n GLY 506 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dpq s LEU 507 N 0.00 2.94 0.00 0.99 1.43 -1.26 -5.11 118.68 117.67 3dpq s LEU 507 Ca 0.00 -0.27 -0.09 0.00 -1.03 0.00 0.00 54.13 52.75 3dpq s LEU 507 Cb 0.00 -1.70 0.12 0.00 0.03 0.00 0.00 46.19 44.64 3dpq s LEU 507 CO 0.00 0.13 0.61 -0.46 0.23 0.00 0.00 176.35 176.86 3dpq n ASN 508 N 3.79 -0.39 -0.18 2.29 0.23 -1.26 -4.72 115.26 115.02 3dpq n ASN 508 Ca -0.18 -1.12 -0.10 0.00 -0.53 0.00 0.00 54.58 52.65 3dpq n ASN 508 Cb 0.52 -0.49 0.01 0.00 -2.08 0.00 0.00 39.78 37.75 3dpq n ASN 508 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3dpq h GLU 509 N 0.00 1.03 -0.03 -3.83 5.08 -1.99 0.38 114.58 115.22 3dpq h GLU 509 Ca -0.20 -0.39 -0.18 0.00 -1.00 0.00 0.00 59.36 57.58 3dpq h GLU 509 Cb 0.58 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3dpq h GLU 509 CO 0.14 1.08 -0.77 0.22 -1.00 0.00 0.00 179.01 178.69 3dpq h ASP 510 N 0.91 0.29 0.93 1.42 1.82 -2.00 -2.09 116.42 117.70 3dpq h ASP 510 Ca 0.14 -0.21 -0.05 0.00 -0.39 0.00 0.00 57.03 56.52 3dpq h ASP 510 Cb 0.70 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 3dpq h ASP 510 CO 0.05 0.95 -0.25 -0.33 -1.61 0.00 0.00 179.24 178.05 3dpq h GLU 511 N 0.15 0.00 0.16 0.28 5.08 -1.55 -1.77 114.58 116.93 3dpq h GLU 511 Ca -0.03 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.04 3dpq h GLU 511 Cb 1.35 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.61 3dpq h GLU 511 CO 0.12 0.25 -1.30 0.82 -1.00 0.00 0.00 179.01 177.90 3dpq h ILE 512 N 0.00 1.44 -0.19 3.13 2.04 -0.59 -2.53 117.51 120.80 3dpq h ILE 512 Ca -0.00 -2.95 -0.03 0.00 1.00 0.00 0.00 64.86 62.88 3dpq h ILE 512 Cb 0.78 2.96 -0.01 0.00 -0.74 0.00 0.00 36.82 39.81 3dpq h ILE 512 CO 0.03 0.87 -0.00 -0.61 0.00 0.00 0.00 178.15 178.44 3dpq h GLN 513 N 0.10 0.33 -0.50 2.37 4.15 -1.14 -1.45 115.11 118.97 3dpq h GLN 513 Ca -0.17 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.11 3dpq h GLN 513 Cb 2.02 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 29.65 3dpq h GLN 513 CO 0.22 0.54 0.16 0.87 -1.93 0.00 0.00 178.83 178.69 3dpq h LYS 514 N 0.08 0.78 -0.67 1.69 1.57 -1.42 -2.60 116.57 116.00 3dpq h LYS 514 Ca 0.05 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3dpq h LYS 514 Cb 0.39 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 3dpq h LYS 514 CO 0.01 0.72 0.39 1.98 -0.57 0.00 0.00 179.45 181.98 3dpq h MET 515 N 0.68 0.92 -0.97 3.15 4.05 -1.25 0.49 114.93 122.00 3dpq h MET 515 Ca 0.16 -0.09 0.01 0.00 -0.28 0.00 0.00 59.70 59.50 3dpq h MET 515 Cb 0.27 -0.19 -0.05 0.00 -0.80 0.00 0.00 31.60 30.83 3dpq h MET 515 CO -0.01 0.67 0.64 0.28 0.23 0.00 0.00 176.91 178.73 3dpq h VAL 516 N 0.91 1.25 0.03 -5.77 2.07 -1.12 0.42 116.25 114.04 3dpq h VAL 516 Ca 0.24 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3dpq h VAL 516 Cb 0.00 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.60 3dpq h VAL 516 CO -0.04 0.24 -0.01 0.03 0.02 0.00 0.00 177.57 177.81 3dpq h ARG 517 N 1.31 -0.04 -0.79 1.57 3.08 -0.48 -2.56 114.38 116.47 3dpq h ARG 517 Ca 0.35 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.56 3dpq h ARG 517 Cb -0.15 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 29.86 3dpq h ARG 517 CO -0.08 0.56 0.52 0.22 -1.07 0.00 0.00 179.97 180.13 3dpq h ASP 518 N -0.68 0.43 -0.19 7.04 3.58 0.04 -0.33 116.42 126.31 3dpq h ASP 518 Ca -0.00 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 3dpq h ASP 518 Cb 0.62 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.61 3dpq h ASP 518 CO 0.01 0.22 -0.17 0.00 -2.88 0.00 0.00 179.24 176.42 3dpq h ALA 519 N 1.63 0.27 0.00 -0.78 0.00 -0.80 -1.82 119.26 117.77 3dpq h ALA 519 Ca 0.39 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3dpq h ALA 519 Cb 0.87 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3dpq h ALA 519 CO -0.14 0.17 -0.36 1.49 0.00 0.00 0.00 179.25 180.42 3dpq h GLU 520 N 0.11 0.00 0.00 0.00 4.22 -0.80 -2.26 114.58 115.85 3dpq h GLU 520 Ca 0.03 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.36 3dpq h GLU 520 Cb 0.70 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3dpq h GLU 520 CO 0.04 0.36 -0.51 0.00 -2.18 0.00 0.00 179.01 176.72 3dpq h ALA 521 N 1.64 0.71 -0.47 2.92 0.00 -0.90 -3.05 119.26 120.11 3dpq h ALA 521 Ca -0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3dpq h ALA 521 Cb 0.75 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3dpq h ALA 521 CO 0.05 0.64 0.03 0.09 0.00 0.00 0.00 179.25 180.06 3dpq n ASN 522 N -3.29 4.85 0.00 0.00 3.02 -0.70 -4.72 115.26 114.42 3dpq n ASN 522 Ca 0.01 -3.03 0.00 0.00 -0.03 0.00 0.00 54.58 51.53 3dpq n ASN 522 Cb 0.71 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 3dpq n ASN 522 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dpq n ALA 523 N 0.04 -0.05 0.20 5.41 0.00 -0.92 -0.92 120.51 124.29 3dpq n ALA 523 Ca 0.27 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.78 3dpq n ALA 523 Cb 1.11 0.09 0.59 0.00 0.00 0.00 0.00 19.45 21.23 3dpq n ALA 523 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3dpq h GLU 524 N 0.00 0.12 0.00 0.00 4.57 -1.85 0.46 114.58 117.87 3dpq h GLU 524 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3dpq h GLU 524 Cb 0.00 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 3dpq h GLU 524 CO 0.00 0.08 0.00 0.00 -1.18 0.00 0.00 179.01 177.91 3dpq h ALA 525 N 1.94 1.00 0.00 2.92 0.00 -1.86 -1.50 119.26 121.77 3dpq h ALA 525 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3dpq h ALA 525 Cb -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3dpq h ALA 525 CO -0.01 0.00 -1.97 -0.25 0.00 0.00 0.00 179.25 177.02 3dpq n ASP 526 N -2.57 0.07 -0.00 0.00 9.92 0.15 -3.16 116.55 120.95 3dpq n ASP 526 Ca 0.01 0.03 0.14 0.00 -0.53 0.00 0.00 54.79 54.44 3dpq n ASP 526 Cb 0.25 1.76 0.60 0.00 -0.64 0.00 0.00 41.12 43.09 3dpq n ASP 526 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3dpq n ARG 527 N -2.35 0.03 -0.13 -1.24 0.63 -0.60 -3.32 116.66 109.69 3dpq n ARG 527 Ca -0.07 -0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.58 3dpq n ARG 527 Cb 0.64 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 31.96 3dpq n ARG 527 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3dpq n LYS 528 N -1.48 0.54 0.00 -0.14 4.81 -1.00 -3.59 118.16 117.30 3dpq n LYS 528 Ca 0.07 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 3dpq n LYS 528 Cb 0.33 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 33.97 3dpq n LYS 528 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3dpq n PHE 529 N -4.12 0.00 0.00 5.64 7.35 -1.19 -2.67 117.46 122.47 3dpq n PHE 529 Ca -0.50 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.19 3dpq n PHE 529 Cb 0.86 -0.18 0.00 0.00 0.35 0.00 0.00 39.48 40.51 3dpq n PHE 529 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 3dpq n GLU 530 N -1.16 0.00 -0.55 -4.13 4.07 -1.21 -2.39 120.64 115.28 3dpq n GLU 530 Ca 0.00 0.00 0.44 0.00 -0.06 0.00 0.00 57.16 57.54 3dpq n GLU 530 Cb 0.27 0.00 0.73 0.00 -0.06 0.00 0.00 31.44 32.38 3dpq n GLU 530 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3dpq h GLU 531 N 0.00 0.01 0.00 5.31 4.39 -1.70 -0.15 114.58 122.44 3dpq h GLU 531 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3dpq h GLU 531 Cb 0.00 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3dpq h GLU 531 CO 0.00 0.01 0.00 -0.11 -1.16 0.00 0.00 179.01 177.75 3dpq n LEU 532 N -4.47 0.00 -0.07 1.33 7.94 -1.09 -1.14 117.00 119.50 3dpq n LEU 532 Ca 0.41 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 55.37 3dpq n LEU 532 Cb 1.71 0.00 0.09 0.00 0.53 0.00 0.00 43.42 45.75 3dpq n LEU 532 CO 0.27 0.00 0.19 0.52 -1.11 0.00 0.00 177.39 177.27 3dpq n VAL 533 N 0.00 0.00 0.28 1.96 0.31 -0.08 0.59 118.33 121.39 3dpq n VAL 533 Ca 0.00 0.19 -0.16 0.00 -0.01 0.00 0.00 64.34 64.36 3dpq n VAL 533 Cb 0.00 -0.33 -0.08 0.00 -0.91 0.00 0.00 33.84 32.52 3dpq n VAL 533 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3dpq h GLN 534 N 0.00 -0.67 0.00 5.55 4.15 -1.29 0.28 115.11 123.13 3dpq h GLN 534 Ca 0.11 0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 3dpq h GLN 534 Cb 0.48 0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.32 3dpq h GLN 534 CO -0.00 -0.40 -0.09 1.15 -1.93 0.00 0.00 178.83 177.56 3dpq h THR 535 N -0.82 0.72 0.00 2.39 2.02 1.79 -0.17 112.91 118.85 3dpq h THR 535 Ca -0.07 -0.36 -0.23 0.00 0.77 0.00 0.00 66.41 66.52 3dpq h THR 535 Cb 0.59 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 3dpq h THR 535 CO 0.12 0.09 -1.31 -0.09 0.37 0.00 0.00 175.52 174.69 3dpq h ARG 536 N 0.00 0.00 0.06 6.66 2.43 -1.24 -3.26 114.38 119.03 3dpq h ARG 536 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3dpq h ARG 536 Cb 0.21 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3dpq h ARG 536 CO 0.01 0.67 -0.04 -0.91 -1.51 0.00 0.00 179.97 178.18 3dpq h ASN 537 N 0.00 -0.11 -0.34 -3.80 2.35 0.14 -2.66 115.58 111.16 3dpq h ASN 537 Ca -0.14 0.01 0.10 0.00 -0.55 0.00 0.00 56.30 55.71 3dpq h ASN 537 Cb 1.83 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 40.22 3dpq h ASN 537 CO 0.09 -0.06 0.55 0.00 -1.65 0.00 0.00 177.43 176.36 3dpq n GLN 538 N -2.44 0.01 0.02 0.81 6.02 -0.87 0.15 117.38 121.07 3dpq n GLN 538 Ca -0.01 0.47 0.05 0.00 -0.01 0.00 0.00 57.00 57.50 3dpq n GLN 538 Cb 0.04 -1.21 0.21 0.00 1.02 0.00 0.00 30.24 30.31 3dpq n GLN 538 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dpq n GLY 539 N -1.14 -0.80 0.40 1.08 0.00 -1.00 0.25 105.19 103.98 3dpq n GLY 539 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 3dpq n GLY 539 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dpq n ASP 540 N -1.61 1.46 -0.00 1.61 10.43 0.39 -3.44 116.55 125.38 3dpq n ASP 540 Ca 0.02 0.25 -0.00 0.00 2.57 0.00 0.00 54.79 57.62 3dpq n ASP 540 Cb 0.09 -0.58 -0.00 0.00 1.84 0.00 0.00 41.12 42.47 3dpq n ASP 540 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 3dpq n HIS 541 N -3.96 -0.00 0.00 1.24 8.25 0.14 0.11 115.22 121.00 3dpq n HIS 541 Ca -0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.18 3dpq n HIS 541 Cb 0.63 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.71 3dpq n HIS 541 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3dpq n LEU 542 N -2.09 0.46 0.09 2.41 7.94 -0.51 -4.33 117.00 120.96 3dpq n LEU 542 Ca 0.00 0.47 0.00 0.00 -1.11 0.00 0.00 56.01 55.37 3dpq n LEU 542 Cb 0.00 -0.41 0.00 0.00 0.53 0.00 0.00 43.42 43.54 3dpq n LEU 542 CO -0.00 -0.41 0.62 -0.11 -1.11 0.00 0.00 177.39 176.37 3dpq n LEU 543 N -1.74 0.00 -0.01 -1.96 7.94 -0.44 -2.19 117.00 118.59 3dpq n LEU 543 Ca 0.00 0.14 -0.00 0.00 -1.11 0.00 0.00 56.01 55.04 3dpq n LEU 543 Cb 0.00 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.95 3dpq n LEU 543 CO 0.00 -0.14 -0.04 1.41 -1.11 0.00 0.00 177.39 177.51 3dpq n HIS 544 N -1.38 0.08 0.16 1.96 8.25 0.29 -3.87 115.22 120.72 3dpq n HIS 544 Ca 0.00 0.04 0.07 0.00 -0.26 0.00 0.00 57.72 57.56 3dpq n HIS 544 Cb 0.62 -0.28 0.37 0.00 1.12 0.00 0.00 29.99 31.82 3dpq n HIS 544 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3dpq n SER 545 N -2.50 0.35 -0.19 0.41 3.41 -0.93 0.14 113.62 114.32 3dpq n SER 545 Ca -0.01 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.30 3dpq n SER 545 Cb 0.03 -0.51 0.39 0.00 -0.26 0.00 0.00 64.21 63.85 3dpq n SER 545 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3dpq n THR 546 N -2.06 0.00 -0.06 6.66 -1.04 -1.18 0.53 114.28 117.13 3dpq n THR 546 Ca -0.01 -0.10 -0.02 0.00 -2.04 0.00 0.00 64.05 61.88 3dpq n THR 546 Cb 0.31 0.30 -0.13 0.00 -1.82 0.00 0.00 70.33 68.99 3dpq n THR 546 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3dpq n ARG 547 N -0.84 1.08 -0.05 -2.82 0.63 0.38 -4.49 116.66 110.56 3dpq n ARG 547 Ca 0.11 -0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 3dpq n ARG 547 Cb 0.34 -1.41 -0.16 0.00 0.45 0.00 0.00 32.46 31.68 3dpq n ARG 547 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3dpq n LYS 548 N -2.43 0.67 0.30 -0.14 5.02 -1.09 -4.14 118.16 116.35 3dpq n LYS 548 Ca -0.19 -0.07 0.16 0.00 -2.02 0.00 0.00 58.31 56.19 3dpq n LYS 548 Cb 0.84 -1.55 0.93 0.00 -0.02 0.00 0.00 35.03 35.22 3dpq n LYS 548 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3dpq h GLN 549 N 0.00 0.00 0.42 1.97 4.15 -0.14 -1.25 115.11 120.26 3dpq h GLN 549 Ca -0.27 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.13 3dpq h GLN 549 Cb 1.62 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.32 3dpq h GLN 549 CO 0.02 0.03 -0.20 0.28 -1.93 0.00 0.00 178.83 177.03 3dpq h VAL 550 N 0.00 0.00 -0.20 2.39 2.07 -1.77 -1.93 116.25 116.81 3dpq h VAL 550 Ca -0.00 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.24 3dpq h VAL 550 Cb 0.09 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.83 3dpq h VAL 550 CO 0.00 0.00 -0.07 -0.62 0.02 0.00 0.00 177.57 176.90 3dpq n GLU 551 N -4.38 -0.04 -0.16 1.57 1.02 -0.50 0.35 120.64 118.50 3dpq n GLU 551 Ca -0.07 0.31 -0.06 0.00 -0.02 0.00 0.00 57.16 57.33 3dpq n GLU 551 Cb 0.22 -0.47 0.03 0.00 -0.02 0.00 0.00 31.44 31.21 3dpq n GLU 551 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3dpq h GLU 552 N 0.00 0.55 -0.69 3.49 4.81 -1.11 -0.04 114.58 121.60 3dpq h GLU 552 Ca 0.08 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3dpq h GLU 552 Cb 0.13 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3dpq h GLU 552 CO -0.20 0.37 0.00 0.00 -0.73 0.00 0.00 179.01 178.44 3dpq n ALA 553 N -2.28 2.85 0.00 2.92 0.00 1.10 -4.89 120.51 120.22 3dpq n ALA 553 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.84 3dpq n ALA 553 Cb 0.08 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3dpq n ALA 553 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dpq n GLY 554 N 0.42 0.00 0.00 0.00 0.00 0.73 -0.81 105.19 105.53 3dpq n GLY 554 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.20 3dpq n GLY 554 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dpq n ASP 555 N 0.00 0.85 -0.48 1.61 8.00 -1.26 -4.34 116.55 120.93 3dpq n ASP 555 Ca 0.00 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.63 3dpq n ASP 555 Cb 0.00 1.06 0.00 0.00 -0.02 0.00 0.00 41.12 42.16 3dpq n ASP 555 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3dpq n LYS 556 N -1.48 0.65 -3.97 -1.24 5.02 0.01 -4.66 118.16 112.49 3dpq n LYS 556 Ca 0.03 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.98 3dpq n LYS 556 Cb 0.30 -1.31 -0.14 0.00 -0.02 0.00 0.00 35.03 33.85 3dpq n LYS 556 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3dpq s LEU 557 N -0.04 3.06 -0.05 -0.35 2.96 -1.24 -4.94 118.68 118.08 3dpq s LEU 557 Ca 0.00 -0.79 -0.30 0.00 -0.22 0.00 0.00 54.13 52.82 3dpq s LEU 557 Cb 0.00 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 3dpq s LEU 557 CO 0.00 -0.10 1.38 -2.16 -1.32 0.00 0.00 176.35 174.15 3dpq s PRO 558 N 1.34 4.27 0.00 0.98 0.04 -1.26 -4.80 135.00 135.56 3dpq s PRO 558 Ca 0.01 1.90 0.00 0.00 0.04 0.00 0.00 61.00 62.95 3dpq s PRO 558 Cb -0.16 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 30.72 3dpq s PRO 558 CO -0.05 -0.62 0.00 0.00 0.04 0.00 0.00 177.00 176.37 3dpq n ALA 559 N 5.81 1.10 0.10 8.56 0.00 -1.26 0.23 120.51 135.06 3dpq n ALA 559 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.59 3dpq n ALA 559 Cb 0.44 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 3dpq n ALA 559 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dpq n ASP 560 N 0.60 1.36 -0.06 0.00 8.00 -1.26 -4.02 116.55 121.17 3dpq n ASP 560 Ca 0.00 -0.40 -0.20 0.00 0.71 0.00 0.00 54.79 54.89 3dpq n ASP 560 Cb 0.00 1.04 -0.13 0.00 -0.02 0.00 0.00 41.12 42.01 3dpq n ASP 560 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3dpq n ASP 561 N -1.23 2.06 0.27 -2.24 8.00 0.63 -4.18 116.55 119.85 3dpq n ASP 561 Ca 0.00 0.07 0.17 0.00 0.71 0.00 0.00 54.79 55.75 3dpq n ASP 561 Cb 0.06 -0.68 0.66 0.00 -0.02 0.00 0.00 41.12 41.14 3dpq n ASP 561 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3dpq h LYS 562 N -0.02 0.00 0.00 -1.24 3.64 -1.71 0.39 116.57 117.63 3dpq h LYS 562 Ca -0.49 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3dpq h LYS 562 Cb 1.95 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.77 3dpq h LYS 562 CO -0.01 0.00 -0.00 1.79 -2.27 0.00 0.00 179.45 178.96 3dpq h THR 563 N 0.00 0.00 -0.93 1.00 1.35 -1.78 -1.14 112.91 111.41 3dpq h THR 563 Ca 0.00 -0.23 0.27 0.00 -0.55 0.00 0.00 66.41 65.90 3dpq h THR 563 Cb 0.52 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 66.79 3dpq h THR 563 CO 0.00 0.00 0.32 0.00 -0.25 0.00 0.00 175.52 175.59 3dpq h ALA 564 N -1.77 1.50 0.66 6.62 0.00 -1.72 0.35 119.26 124.89 3dpq h ALA 564 Ca -0.00 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3dpq h ALA 564 Cb 0.00 0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.10 3dpq h ALA 564 CO 0.00 -0.53 -0.32 0.82 0.00 0.00 0.00 179.25 179.23 3dpq h ILE 565 N 0.21 0.00 -0.94 0.00 2.04 -0.33 -2.50 117.51 116.00 3dpq h ILE 565 Ca 0.62 -0.11 0.21 0.00 1.00 0.00 0.00 64.86 66.58 3dpq h ILE 565 Cb 1.33 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.33 3dpq h ILE 565 CO -0.67 0.00 0.61 -0.33 0.00 0.00 0.00 178.15 177.76 3dpq h GLU 566 N -0.99 0.47 -0.69 2.37 4.39 0.40 0.32 114.58 120.85 3dpq h GLU 566 Ca -0.09 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.40 3dpq h GLU 566 Cb 0.68 -0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 29.11 3dpq h GLU 566 CO 0.15 0.31 0.22 0.45 -1.16 0.00 0.00 179.01 178.98 3dpq n SER 567 N -4.57 4.87 0.00 1.42 2.88 1.00 -1.72 113.62 117.50 3dpq n SER 567 Ca 0.21 -3.20 0.00 0.00 -1.33 0.00 0.00 58.87 54.55 3dpq n SER 567 Cb 0.69 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 3dpq n SER 567 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dpq n ALA 568 N -0.10 1.08 -0.04 -1.46 0.00 0.10 -3.90 120.51 116.19 3dpq n ALA 568 Ca 0.38 -0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.57 3dpq n ALA 568 Cb 1.34 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.66 3dpq n ALA 568 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dpq n LEU 569 N -0.43 2.55 0.22 0.00 4.77 -0.64 -3.45 117.00 120.01 3dpq n LEU 569 Ca 0.00 0.18 -0.09 0.00 -0.03 0.00 0.00 56.01 56.08 3dpq n LEU 569 Cb 0.02 -1.04 -0.04 0.00 -2.33 0.00 0.00 43.42 40.02 3dpq n LEU 569 CO 0.00 0.77 0.35 0.74 -1.33 0.00 0.00 177.39 177.92 3dpq h THR 570 N -0.16 0.00 0.00 -5.08 2.02 -1.60 3.63 112.91 111.72 3dpq h THR 570 Ca -0.46 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.51 3dpq h THR 570 Cb 1.88 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 3dpq h THR 570 CO -0.02 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.87 3dpq n ALA 571 N -2.45 0.86 0.00 6.16 0.00 -1.25 -0.32 120.51 123.51 3dpq n ALA 571 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3dpq n ALA 571 Cb 0.23 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.11 3dpq n ALA 571 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3dpq n LEU 572 N -0.75 1.49 -0.01 0.00 7.94 -0.70 -4.89 117.00 120.08 3dpq n LEU 572 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 3dpq n LEU 572 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 3dpq n LEU 572 CO 0.00 0.25 0.50 -0.08 -1.11 0.00 0.00 177.39 176.95 3dpq h GLU 573 N 0.00 -0.39 0.00 1.96 4.57 0.99 -3.26 114.58 118.45 3dpq h GLU 573 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3dpq h GLU 573 Cb 0.96 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 3dpq h GLU 573 CO 0.00 -0.26 0.00 2.41 -1.18 0.00 0.00 179.01 179.98 3dpq n THR 574 N -4.59 0.00 0.00 0.32 -1.04 -1.24 -2.54 114.28 105.18 3dpq n THR 574 Ca -0.04 0.27 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 3dpq n THR 574 Cb 0.27 -1.03 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 3dpq n THR 574 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dpq n ALA 575 N -3.00 0.94 0.12 2.41 0.00 -1.26 0.85 120.51 120.57 3dpq n ALA 575 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3dpq n ALA 575 Cb 0.00 -0.66 0.27 0.00 0.00 0.00 0.00 19.45 19.07 3dpq n ALA 575 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3dpq n LEU 576 N 0.85 3.39 -0.05 0.00 -0.00 -1.05 -4.19 117.00 115.95 3dpq n LEU 576 Ca 0.00 -1.61 -0.02 0.00 -0.00 0.00 0.00 56.01 54.39 3dpq n LEU 576 Cb 0.00 -0.36 -0.12 0.00 -0.00 0.00 0.00 43.42 42.95 3dpq n LEU 576 CO 0.00 0.80 -0.86 0.29 -0.00 0.00 0.00 177.39 177.62 3dpq n LYS 577 N 1.38 1.21 -2.45 1.96 5.02 0.25 -4.96 118.16 120.57 3dpq n LYS 577 Ca 0.21 -0.06 -0.24 0.00 -2.02 0.00 0.00 58.31 56.20 3dpq n LYS 577 Cb 0.56 -1.37 0.08 0.00 -0.02 0.00 0.00 35.03 34.28 3dpq n LYS 577 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3dpq s GLY 578 N -4.41 1.76 -0.51 0.72 0.00 -1.26 -4.98 107.32 98.65 3dpq s GLY 578 Ca -0.07 -1.33 -0.02 0.00 0.00 0.00 0.00 44.72 43.31 3dpq s GLY 578 CO 0.61 -0.89 2.09 -2.21 0.00 0.00 0.00 173.10 172.71 3dpq n GLU 579 N -2.75 2.28 -3.72 2.90 2.13 -1.26 -4.79 120.64 115.43 3dpq n GLU 579 Ca 0.11 -2.47 -0.38 0.00 0.66 0.00 0.00 57.16 55.07 3dpq n GLU 579 Cb 0.60 -1.98 -0.11 0.00 0.27 0.00 0.00 31.44 30.22 3dpq n GLU 579 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3dpq s ASP 580 N -0.72 5.36 0.00 4.31 -1.08 -1.26 -4.97 116.67 118.31 3dpq s ASP 580 Ca 0.49 -1.67 0.01 0.00 -0.52 0.00 0.00 52.55 50.85 3dpq s ASP 580 Cb 0.38 -1.88 -0.26 0.00 -1.46 0.00 0.00 42.92 39.70 3dpq s ASP 580 CO -0.05 -0.49 0.85 0.50 0.52 0.00 0.00 175.17 176.49 3dpq h LYS 581 N 8.20 0.17 -0.02 4.34 3.64 -1.97 -2.74 116.57 128.19 3dpq h LYS 581 Ca -0.19 -0.29 -0.15 0.00 -1.27 0.00 0.00 60.65 58.75 3dpq h LYS 581 Cb 1.07 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 3dpq h LYS 581 CO 0.70 0.99 -0.68 0.00 -2.27 0.00 0.00 179.45 178.19 3dpq h ALA 582 N 0.63 0.83 -0.20 5.00 0.00 -1.98 -2.54 119.26 120.99 3dpq h ALA 582 Ca -0.23 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.04 3dpq h ALA 582 Cb 1.98 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 3dpq h ALA 582 CO 0.14 0.82 0.01 0.00 0.00 0.00 0.00 179.25 180.22 3dpq h ALA 583 N 1.24 0.27 -0.31 0.00 0.00 -1.95 0.20 119.26 118.71 3dpq h ALA 583 Ca -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3dpq h ALA 583 Cb 1.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3dpq h ALA 583 CO 0.10 -0.03 0.12 0.82 0.00 0.00 0.00 179.25 180.26 3dpq h ILE 584 N 0.12 1.18 0.00 0.00 2.04 -1.44 -1.65 117.51 117.76 3dpq h ILE 584 Ca 0.06 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.36 3dpq h ILE 584 Cb 0.36 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3dpq h ILE 584 CO 0.01 0.19 0.00 -0.62 0.00 0.00 0.00 178.15 177.73 3dpq n GLU 585 N -4.72 0.17 0.01 2.37 1.02 -0.94 -1.51 120.64 117.04 3dpq n GLU 585 Ca -0.02 0.43 -0.13 0.00 -0.02 0.00 0.00 57.16 57.42 3dpq n GLU 585 Cb 0.14 -1.84 -0.14 0.00 -0.02 0.00 0.00 31.44 29.58 3dpq n GLU 585 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dpq h ALA 586 N 2.26 0.56 0.00 0.62 0.00 0.28 -3.24 119.26 119.73 3dpq h ALA 586 Ca 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 54.91 53.55 3dpq h ALA 586 Cb 0.32 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3dpq h ALA 586 CO 0.00 1.40 -0.21 0.87 0.00 0.00 0.00 179.25 181.32 3dpq h LYS 587 N 0.03 0.00 -0.38 0.00 1.79 -0.88 -2.96 116.57 114.17 3dpq h LYS 587 Ca -0.28 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.04 3dpq h LYS 587 Cb 1.99 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.64 3dpq h LYS 587 CO 0.10 0.21 -0.38 0.52 -1.08 0.00 0.00 179.45 178.82 3dpq h MET 588 N 0.00 0.92 -0.03 3.15 2.86 -1.33 -2.79 114.93 117.71 3dpq h MET 588 Ca -0.00 -0.48 -0.00 0.00 -2.06 0.00 0.00 59.70 57.16 3dpq h MET 588 Cb 0.84 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 3dpq h MET 588 CO 0.03 1.13 0.00 0.37 1.06 0.00 0.00 176.91 179.50 3dpq h GLN 589 N 0.75 0.05 0.00 1.72 5.75 -1.56 0.19 115.11 122.01 3dpq h GLN 589 Ca 0.06 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 3dpq h GLN 589 Cb 0.97 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.51 3dpq h GLN 589 CO 0.09 0.30 0.00 0.93 -2.65 0.00 0.00 178.83 177.51 3dpq h GLU 590 N -0.21 0.00 0.14 1.69 5.08 -1.52 0.23 114.58 120.00 3dpq h GLU 590 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3dpq h GLU 590 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3dpq h GLU 590 CO 0.00 0.00 -0.07 1.25 -1.00 0.00 0.00 179.01 179.19 3dpq h LEU 591 N 0.00 -0.16 0.00 1.33 5.85 -0.97 -3.31 115.31 118.05 3dpq h LEU 591 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3dpq h LEU 591 Cb 0.17 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3dpq h LEU 591 CO 0.00 0.20 0.00 0.00 -0.34 0.00 0.00 178.44 178.30 3dpq n ALA 592 N -2.58 -0.05 0.00 1.25 0.00 -0.06 -1.76 120.51 117.32 3dpq n ALA 592 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3dpq n ALA 592 Cb 0.07 0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3dpq n ALA 592 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3dpq n GLN 593 N -1.41 0.00 -0.21 0.00 7.27 0.64 0.33 117.38 124.01 3dpq n GLN 593 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.14 3dpq n GLN 593 Cb 0.00 0.00 0.19 0.00 2.41 0.00 0.00 30.24 32.84 3dpq n GLN 593 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 3dpq n VAL 594 N -2.78 0.90 -1.06 1.69 3.14 -0.72 -4.32 118.33 115.18 3dpq n VAL 594 Ca 0.00 -0.95 0.05 0.00 -2.96 0.00 0.00 64.34 60.48 3dpq n VAL 594 Cb 0.00 0.58 0.27 0.00 -1.06 0.00 0.00 33.84 33.63 3dpq n VAL 594 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3dpq n SER 595 N 0.83 3.94 0.19 6.55 7.64 0.98 -4.64 113.62 129.12 3dpq n SER 595 Ca 0.15 -3.14 0.04 0.00 1.01 0.00 0.00 58.87 56.93 3dpq n SER 595 Cb 0.47 -0.59 0.39 0.00 -1.01 0.00 0.00 64.21 63.47 3dpq n SER 595 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 3dpq h GLN 596 N 1.95 0.00 0.00 1.43 5.75 -1.75 -1.98 115.11 120.50 3dpq h GLN 596 Ca 0.06 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3dpq h GLN 596 Cb 1.61 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.16 3dpq h GLN 596 CO 0.32 0.35 -1.00 1.17 -2.65 0.00 0.00 178.83 177.02 3dpq n LYS 597 N -4.01 0.34 0.10 1.69 3.00 -1.26 -3.55 118.16 114.46 3dpq n LYS 597 Ca -0.02 0.02 -0.19 0.00 -0.00 0.00 0.00 58.31 58.12 3dpq n LYS 597 Cb 0.40 -1.63 -0.15 0.00 0.00 0.00 0.00 35.03 33.65 3dpq n LYS 597 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3dpq h LEU 598 N 0.00 0.53 -0.61 3.14 6.46 -1.80 -1.39 115.31 121.64 3dpq h LEU 598 Ca 0.00 -0.64 0.13 0.00 -0.12 0.00 0.00 57.88 57.25 3dpq h LEU 598 Cb 0.77 -0.17 -0.10 0.00 -0.73 0.00 0.00 40.66 40.43 3dpq h LEU 598 CO 0.00 1.52 -0.01 -0.03 -0.62 0.00 0.00 178.44 179.29 3dpq h MET 599 N 0.09 0.10 -0.06 1.25 4.05 -1.42 -2.70 114.93 116.24 3dpq h MET 599 Ca -0.22 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.09 3dpq h MET 599 Cb 2.05 -0.02 0.01 0.00 -0.80 0.00 0.00 31.60 32.83 3dpq h MET 599 CO 0.20 0.07 -0.36 0.93 0.23 0.00 0.00 176.91 177.98 3dpq h GLU 600 N 0.10 0.36 0.00 0.39 3.07 -1.61 -3.26 114.58 113.63 3dpq h GLU 600 Ca 0.32 -0.30 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3dpq h GLU 600 Cb 0.51 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3dpq h GLU 600 CO -0.53 0.95 0.00 -0.89 -1.40 0.00 0.00 179.01 177.14 3dpq n ILE 601 N -4.39 0.00 -1.78 3.13 2.08 -0.53 -5.12 119.36 112.75 3dpq n ILE 601 Ca -0.09 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.22 3dpq n ILE 601 Cb 0.53 -0.38 0.00 0.00 -0.75 0.00 0.00 39.64 39.04 3dpq n ILE 601 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11