#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 0.00 -3.96 1.34 7.99 -1.26 -5.00 117.00 116.11 3dpq n LEU 390 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.91 3dpq n LEU 390 Cb 0.00 0.03 -0.07 0.00 -0.11 0.00 0.00 43.42 43.27 3dpq n LEU 390 CO 0.00 0.03 -0.07 -1.48 -1.51 0.00 0.00 177.39 174.36 3dpq s LEU 391 N -3.93 1.16 -0.04 2.23 0.05 -1.26 -5.17 118.68 111.71 3dpq s LEU 391 Ca -0.04 -0.86 -0.29 0.00 0.05 0.00 0.00 54.13 52.99 3dpq s LEU 391 Cb 0.07 1.06 0.10 0.00 -2.05 0.00 0.00 46.19 45.37 3dpq s LEU 391 CO 0.49 -0.84 0.87 -0.76 -0.55 0.00 0.00 176.35 175.56 3dpq s LEU 392 N -2.95 -0.42 0.07 1.48 1.43 -1.26 -5.14 118.68 111.89 3dpq s LEU 392 Ca 0.15 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.14 3dpq s LEU 392 Cb 0.04 2.08 -0.05 0.00 0.03 0.00 0.00 46.19 48.29 3dpq s LEU 392 CO -0.02 -0.57 0.98 -1.81 0.23 0.00 0.00 176.35 175.16 3dpq s ASP 393 N -1.97 7.43 0.24 2.29 1.01 -1.26 -5.05 116.67 119.35 3dpq s ASP 393 Ca 0.01 1.76 0.02 0.00 0.71 0.00 0.00 52.55 55.05 3dpq s ASP 393 Cb -0.01 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 3dpq s ASP 393 CO -0.04 -0.16 0.04 0.68 0.21 0.00 0.00 175.17 175.91 3dpq s VAL 394 N 0.40 0.77 -0.32 -1.27 -7.23 -1.26 -2.58 120.40 108.91 3dpq s VAL 394 Ca 0.49 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.50 3dpq s VAL 394 Cb -0.23 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 3dpq s VAL 394 CO 0.29 -0.20 0.39 0.28 -0.31 0.00 0.00 175.10 175.55 3dpq s THR 395 N -3.60 5.15 0.20 5.32 -1.32 -0.47 -4.82 115.64 116.08 3dpq s THR 395 Ca 0.32 0.29 -0.08 0.00 -1.21 0.00 0.00 61.69 61.02 3dpq s THR 395 Cb 0.07 -3.79 0.07 0.00 -1.51 0.00 0.00 72.50 67.34 3dpq s THR 395 CO 0.10 -0.01 1.66 1.55 -2.21 0.00 0.00 174.62 175.71 3dpq h PRO 396 N 8.35 1.02 -6.57 7.08 0.13 -1.95 0.71 132.00 140.78 3dpq h PRO 396 Ca -0.30 -0.32 -0.65 0.00 -0.87 0.00 0.00 66.00 63.86 3dpq h PRO 396 Cb 1.15 -0.09 -0.17 0.00 0.13 0.00 0.00 31.00 32.02 3dpq h PRO 396 CO 0.69 1.01 -0.78 -0.51 -0.23 0.00 0.00 178.00 178.18 3dpq s LEU 397 N -9.28 2.72 0.49 1.56 1.43 -1.26 -3.40 118.68 110.93 3dpq s LEU 397 Ca -0.11 -0.68 -0.23 0.00 -1.03 0.00 0.00 54.13 52.08 3dpq s LEU 397 Cb 0.14 -1.46 -0.07 0.00 0.03 0.00 0.00 46.19 44.83 3dpq s LEU 397 CO 0.85 0.13 1.26 -1.20 0.23 0.00 0.00 176.35 177.62 3dpq n SER 398 N 0.29 2.38 -4.16 2.29 7.64 -1.26 -4.33 113.62 116.47 3dpq n SER 398 Ca -0.13 1.02 -0.24 0.00 1.01 0.00 0.00 58.87 60.53 3dpq n SER 398 Cb 0.55 -1.51 -0.15 0.00 -1.01 0.00 0.00 64.21 62.08 3dpq n SER 398 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3dpq s LEU 399 N -2.37 2.03 0.00 -3.43 1.43 0.16 -2.22 118.68 114.29 3dpq s LEU 399 Ca 0.67 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 3dpq s LEU 399 Cb -0.46 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 44.88 3dpq s LEU 399 CO 0.53 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.93 3dpq n GLY 400 N 2.65 2.62 3.20 -3.19 0.00 -0.73 0.12 105.19 109.87 3dpq n GLY 400 Ca -0.15 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 3dpq n GLY 400 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dpq s ILE 401 N -1.21 0.14 -0.40 -0.61 -4.36 -0.45 -1.83 121.20 112.48 3dpq s ILE 401 Ca 0.00 -1.17 -0.28 0.00 -0.26 0.00 0.00 60.65 58.94 3dpq s ILE 401 Cb 0.00 -1.33 0.02 0.00 1.25 0.00 0.00 42.46 42.40 3dpq s ILE 401 CO 0.00 -0.65 1.05 -0.70 0.24 0.00 0.00 174.94 174.88 3dpq s GLU 402 N -3.84 3.84 0.53 0.37 2.12 -0.52 -1.34 118.70 119.88 3dpq s GLU 402 Ca 0.05 0.70 0.01 0.00 0.36 0.00 0.00 54.97 56.08 3dpq s GLU 402 Cb 0.05 -3.83 0.03 0.00 0.26 0.00 0.00 34.13 30.63 3dpq s GLU 402 CO -0.11 -1.12 0.76 0.95 -0.54 0.00 0.00 175.26 175.20 3dpq s THR 403 N 3.92 2.92 0.02 -1.70 -4.23 -0.04 -4.78 115.64 111.74 3dpq s THR 403 Ca 0.44 -0.62 -0.37 0.00 -1.18 0.00 0.00 61.69 59.96 3dpq s THR 403 Cb -0.10 -3.09 -0.16 0.00 1.34 0.00 0.00 72.50 70.49 3dpq s THR 403 CO 0.23 -0.07 1.47 0.80 -0.54 0.00 0.00 174.62 176.51 3dpq n MET 404 N -2.30 1.32 0.00 3.99 1.56 -1.26 -1.91 117.12 118.52 3dpq n MET 404 Ca 0.07 0.48 0.00 0.00 -0.27 0.00 0.00 57.70 57.98 3dpq n MET 404 Cb 0.59 -2.15 0.00 0.00 2.15 0.00 0.00 33.22 33.81 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 3.02 1.38 1.17 -5.12 0.00 -1.26 -4.54 105.19 99.84 3dpq n GLY 405 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.64 0.86 3.21 -0.02 0.00 -0.80 -4.97 105.19 102.83 3dpq n GLY 406 Ca 0.00 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 3dpq n GLY 406 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dpq s VAL 407 N -2.81 1.51 -0.00 1.61 0.11 -1.21 -2.52 120.40 117.08 3dpq s VAL 407 Ca 0.00 -0.96 -0.19 0.00 -2.93 0.00 0.00 61.98 57.90 3dpq s VAL 407 Cb 0.00 -1.29 -0.05 0.00 -1.53 0.00 0.00 36.38 33.51 3dpq s VAL 407 CO 0.00 0.30 0.54 -0.32 -3.33 0.00 0.00 175.10 172.29 3dpq s MET 408 N -0.78 4.24 0.08 1.54 1.75 0.84 -0.86 119.30 126.11 3dpq s MET 408 Ca 0.07 0.64 0.08 0.00 -1.25 0.00 0.00 55.69 55.23 3dpq s MET 408 Cb -0.08 -3.32 -0.04 0.00 2.84 0.00 0.00 34.83 34.24 3dpq s MET 408 CO 0.00 0.44 -0.18 0.99 -0.65 0.00 0.00 175.02 175.63 3dpq s THR 409 N -0.39 2.86 -0.14 10.11 2.01 -0.45 -4.85 115.64 124.79 3dpq s THR 409 Ca 0.29 -1.35 -0.02 0.00 0.31 0.00 0.00 61.69 60.92 3dpq s THR 409 Cb -0.18 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 3dpq s THR 409 CO 0.16 0.20 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.33 3dpq s THR 410 N -1.05 3.59 -0.18 -0.82 2.01 -1.26 -1.34 115.64 116.58 3dpq s THR 410 Ca 0.17 -0.47 -0.11 0.00 0.31 0.00 0.00 61.69 61.58 3dpq s THR 410 Cb -0.11 -2.54 -0.08 0.00 0.01 0.00 0.00 72.50 69.79 3dpq s THR 410 CO 0.08 0.51 -0.27 0.18 -0.69 0.00 0.00 174.62 174.44 3dpq n LEU 411 N 3.39 1.53 -4.44 4.42 7.99 0.12 -4.91 117.00 125.10 3dpq n LEU 411 Ca -0.18 0.26 -0.34 0.00 -0.01 0.00 0.00 56.01 55.74 3dpq n LEU 411 Cb 0.53 -0.62 -0.13 0.00 -0.11 0.00 0.00 43.42 43.09 3dpq n LEU 411 CO 0.32 0.21 -0.37 -0.63 -1.51 0.00 0.00 177.39 175.41 3dpq s ILE 412 N -2.46 3.70 0.28 -0.08 1.01 -0.11 -4.86 121.20 118.68 3dpq s ILE 412 Ca -0.27 -0.42 -0.27 0.00 0.00 0.00 0.00 60.65 59.70 3dpq s ILE 412 Cb 0.09 -2.63 -0.09 0.00 0.01 0.00 0.00 42.46 39.84 3dpq s ILE 412 CO 0.35 0.48 0.91 0.00 0.00 0.00 0.00 174.94 176.68 3dpq s ALA 413 N 0.64 3.28 0.18 9.38 0.00 -1.26 0.39 121.76 134.37 3dpq s ALA 413 Ca -0.03 0.51 -0.33 0.00 0.00 0.00 0.00 51.96 52.11 3dpq s ALA 413 Cb -0.15 -3.14 -0.14 0.00 0.00 0.00 0.00 23.12 19.69 3dpq s ALA 413 CO 0.02 0.21 1.47 0.36 0.00 0.00 0.00 175.76 177.82 3dpq n LYS 414 N 0.91 1.94 -0.68 0.00 2.85 -1.26 -1.89 118.16 120.03 3dpq n LYS 414 Ca -0.00 0.69 0.00 0.00 -1.05 0.00 0.00 58.31 57.95 3dpq n LYS 414 Cb 0.49 -2.40 0.00 0.00 -0.65 0.00 0.00 35.03 32.48 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 2.80 -2.03 -4.77 -5.58 5.03 0.25 -4.85 115.26 106.11 3dpq n ASN 415 Ca 0.15 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.21 3dpq n ASN 415 Cb 0.28 -0.34 -0.00 0.00 -1.02 0.00 0.00 39.78 38.70 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 -2.00 2.62 -0.11 3.41 2.01 -0.79 -4.72 115.64 116.06 3dpq s THR 416 Ca 0.00 0.54 -0.30 0.00 0.31 0.00 0.00 61.69 62.24 3dpq s THR 416 Cb 0.00 -3.31 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 3dpq s THR 416 CO 0.00 0.07 1.16 0.42 -0.69 0.00 0.00 174.62 175.58 3dpq s THR 417 N -1.29 4.41 0.24 -0.82 -4.23 -1.26 -1.37 115.64 111.31 3dpq s THR 417 Ca 0.58 1.71 -0.13 0.00 -1.18 0.00 0.00 61.69 62.67 3dpq s THR 417 Cb -0.37 -4.10 -0.08 0.00 1.34 0.00 0.00 72.50 69.29 3dpq s THR 417 CO 0.48 -0.05 0.63 -0.63 -0.54 0.00 0.00 174.62 174.50 3dpq s ILE 418 N 2.54 4.80 0.75 2.99 1.01 -1.07 -4.05 121.20 128.18 3dpq s ILE 418 Ca 0.53 0.77 -0.11 0.00 0.00 0.00 0.00 60.65 61.84 3dpq s ILE 418 Cb -0.22 -3.66 0.04 0.00 0.01 0.00 0.00 42.46 38.64 3dpq s ILE 418 CO 0.18 -0.02 1.08 -2.16 0.00 0.00 0.00 174.94 174.02 3dpq s PRO 419 N -2.62 2.43 -0.21 2.79 0.04 -1.26 -4.80 135.00 131.37 3dpq s PRO 419 Ca 0.47 0.95 -0.27 0.00 0.04 0.00 0.00 61.00 62.19 3dpq s PRO 419 Cb -0.12 -1.93 0.10 0.00 0.04 0.00 0.00 34.50 32.59 3dpq s PRO 419 CO 0.20 -1.46 0.88 -0.08 0.04 0.00 0.00 177.00 176.58 3dpq s THR 420 N -3.01 0.00 -0.04 1.26 -1.32 -0.85 -5.01 115.64 106.67 3dpq s THR 420 Ca 0.60 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 61.14 3dpq s THR 420 Cb -0.15 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.83 3dpq s THR 420 CO 0.55 0.00 -0.21 -0.75 -2.21 0.00 0.00 174.62 172.00 3dpq s LYS 421 N -0.29 2.01 -0.11 7.08 2.20 -1.26 -0.70 119.74 128.66 3dpq s LYS 421 Ca -0.01 -0.75 -0.05 0.00 -0.36 0.00 0.00 55.97 54.79 3dpq s LYS 421 Cb -0.03 -1.78 0.05 0.00 -1.51 0.00 0.00 37.83 34.56 3dpq s LYS 421 CO 0.00 0.36 0.26 -1.58 -0.36 0.00 0.00 175.35 174.03 3dpq s HIS 422 N -0.20 -0.37 0.01 4.03 2.46 0.45 -4.98 115.29 116.70 3dpq s HIS 422 Ca 0.00 0.86 0.03 0.00 0.47 0.00 0.00 55.06 56.42 3dpq s HIS 422 Cb -0.11 0.04 -0.03 0.00 -0.13 0.00 0.00 32.58 32.35 3dpq s HIS 422 CO 0.02 -0.27 -0.05 -1.12 -2.47 0.00 0.00 174.74 170.85 3dpq s SER 423 N 1.53 4.77 -0.03 9.88 0.01 -1.26 0.08 113.70 128.69 3dpq s SER 423 Ca -0.07 -0.12 -0.15 0.00 1.31 0.00 0.00 55.95 56.92 3dpq s SER 423 Cb -0.11 -1.15 0.03 0.00 0.21 0.00 0.00 66.02 65.00 3dpq s SER 423 CO -0.09 0.27 0.33 -1.58 0.41 0.00 0.00 173.24 172.58 3dpq s GLN 424 N -1.53 0.66 -0.23 12.44 0.74 0.32 -4.98 119.66 127.07 3dpq s GLN 424 Ca 0.18 -0.11 -0.09 0.00 0.05 0.00 0.00 55.36 55.39 3dpq s GLN 424 Cb -0.11 0.29 -0.04 0.00 1.10 0.00 0.00 33.01 34.25 3dpq s GLN 424 CO 0.09 -0.17 0.12 0.08 -0.55 0.00 0.00 175.29 174.86 3dpq s VAL 425 N -1.17 5.00 0.32 1.34 1.01 -1.26 -0.14 120.40 125.50 3dpq s VAL 425 Ca -0.12 0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.00 3dpq s VAL 425 Cb -0.05 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 3dpq s VAL 425 CO 0.04 0.36 0.01 -0.36 0.00 0.00 0.00 175.10 175.15 3dpq s PHE 426 N 1.09 2.58 0.00 5.22 0.40 -0.88 -5.00 117.98 121.40 3dpq s PHE 426 Ca 0.06 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 3dpq s PHE 426 Cb -0.14 -1.42 0.00 0.00 0.51 0.00 0.00 43.02 41.97 3dpq s PHE 426 CO 0.04 0.50 0.00 0.45 0.70 0.00 0.00 175.22 176.91 3dpq n SER 427 N -0.95 1.55 -4.91 1.36 2.88 -1.26 -2.62 113.62 109.66 3dpq n SER 427 Ca -0.04 -0.23 -0.31 0.00 -1.33 0.00 0.00 58.87 56.96 3dpq n SER 427 Cb 0.61 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.03 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 0.15 5.33 -0.00 2.46 -4.23 -1.26 -4.95 115.64 113.14 3dpq s THR 428 Ca 0.00 -0.28 -0.02 0.00 -1.18 0.00 0.00 61.69 60.20 3dpq s THR 428 Cb 0.00 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.20 3dpq s THR 428 CO 0.00 0.11 0.54 0.00 -0.54 0.00 0.00 174.62 174.73 3dpq h ALA 429 N 2.99 -0.53 -5.03 3.99 0.00 -1.96 -3.11 119.26 115.60 3dpq h ALA 429 Ca -0.45 -0.02 -0.40 0.00 0.00 0.00 0.00 54.91 54.04 3dpq h ALA 429 Cb 1.16 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 3dpq h ALA 429 CO 0.75 -0.52 -0.23 0.39 0.00 0.00 0.00 179.25 179.64 3dpq n GLU 430 N -2.40 1.04 -2.76 0.00 -0.58 -1.26 -4.73 120.64 109.96 3dpq n GLU 430 Ca -0.01 -2.32 -0.35 0.00 -0.42 0.00 0.00 57.16 54.06 3dpq n GLU 430 Cb 0.03 0.39 -0.06 0.00 -0.57 0.00 0.00 31.44 31.23 3dpq n GLU 430 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3dpq s ASP 431 N -3.02 7.05 -0.77 1.62 1.01 -1.26 -3.76 116.67 117.54 3dpq s ASP 431 Ca 0.13 1.80 0.00 0.00 0.71 0.00 0.00 52.55 55.19 3dpq s ASP 431 Cb -0.01 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.36 3dpq s ASP 431 CO 0.08 -0.28 0.00 0.59 0.21 0.00 0.00 175.17 175.77 3dpq n ASN 432 N -0.10 -3.36 -4.61 0.27 3.02 -1.16 -4.88 115.26 104.43 3dpq n ASN 432 Ca 0.05 0.08 -0.43 0.00 -0.03 0.00 0.00 54.58 54.25 3dpq n ASN 432 Cb 0.52 -2.23 -0.03 0.00 -0.61 0.00 0.00 39.78 37.43 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 -3.71 3.87 -0.08 3.52 0.74 -1.26 -4.74 119.66 118.00 3dpq s GLN 433 Ca 0.00 0.67 0.18 0.00 0.05 0.00 0.00 55.36 56.26 3dpq s GLN 433 Cb 0.00 -3.80 0.66 0.00 1.10 0.00 0.00 33.01 30.97 3dpq s GLN 433 CO 0.00 -0.99 1.56 -1.13 -0.55 0.00 0.00 175.29 174.18 3dpq n SER 434 N 6.92 4.30 -3.64 6.67 3.41 -1.26 -4.47 113.62 125.54 3dpq n SER 434 Ca 0.09 -2.31 -0.02 0.00 -0.26 0.00 0.00 58.87 56.36 3dpq n SER 434 Cb 0.48 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 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 -1.65 -2.17 0.16 7.33 0.00 -1.26 -2.47 121.76 121.71 3dpq s ALA 435 Ca 0.48 1.90 0.07 0.00 0.00 0.00 0.00 51.96 54.41 3dpq s ALA 435 Cb 0.29 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 3dpq s ALA 435 CO 0.25 -0.42 -0.16 0.14 0.00 0.00 0.00 175.76 175.57 3dpq s VAL 436 N -1.63 1.64 -0.18 0.00 -7.23 -0.50 -5.01 120.40 107.49 3dpq s VAL 436 Ca 0.11 -1.96 -0.08 0.00 -1.81 0.00 0.00 61.98 58.23 3dpq s VAL 436 Cb -0.01 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 3dpq s VAL 436 CO -0.05 -0.44 0.10 -0.89 -0.31 0.00 0.00 175.10 173.51 3dpq s THR 437 N -2.40 5.17 -0.72 5.32 2.01 -1.26 -1.74 115.64 122.01 3dpq s THR 437 Ca 0.16 0.10 -0.06 0.00 0.31 0.00 0.00 61.69 62.20 3dpq s THR 437 Cb -0.04 -3.33 0.19 0.00 0.01 0.00 0.00 72.50 69.33 3dpq s THR 437 CO 0.05 0.48 0.58 -0.63 -0.69 0.00 0.00 174.62 174.41 3dpq s ILE 438 N 0.15 4.32 -0.40 1.82 -1.09 0.57 -4.92 121.20 121.64 3dpq s ILE 438 Ca 0.07 -2.98 -0.15 0.00 -2.23 0.00 0.00 60.65 55.37 3dpq s ILE 438 Cb -0.12 -3.74 0.01 0.00 -1.58 0.00 0.00 42.46 37.04 3dpq s ILE 438 CO -0.00 -0.95 0.30 -2.28 -1.23 0.00 0.00 174.94 170.77 3dpq s HIS 439 N -0.21 3.24 0.34 3.97 2.46 -1.26 -1.72 115.29 122.11 3dpq s HIS 439 Ca 0.19 -0.53 -0.10 0.00 0.47 0.00 0.00 55.06 55.09 3dpq s HIS 439 Cb -0.16 -2.58 -0.07 0.00 -0.13 0.00 0.00 32.58 29.64 3dpq s HIS 439 CO -0.06 -0.56 0.69 0.08 -2.47 0.00 0.00 174.74 172.42 3dpq s VAL 440 N 1.70 4.84 -0.22 0.89 1.01 0.01 -1.43 120.40 127.20 3dpq s VAL 440 Ca 0.05 0.53 -0.19 0.00 0.00 0.00 0.00 61.98 62.37 3dpq s VAL 440 Cb -0.19 -3.70 0.06 0.00 0.00 0.00 0.00 36.38 32.55 3dpq s VAL 440 CO 0.10 -0.36 0.57 -0.76 0.00 0.00 0.00 175.10 174.65 3dpq s LEU 441 N -3.51 -0.21 -0.11 3.92 1.43 -0.76 -2.10 118.68 117.35 3dpq s LEU 441 Ca 0.50 1.16 0.04 0.00 -1.03 0.00 0.00 54.13 54.79 3dpq s LEU 441 Cb -0.10 1.96 0.00 0.00 0.03 0.00 0.00 46.19 48.08 3dpq s LEU 441 CO 0.27 -0.20 -0.23 -1.58 0.23 0.00 0.00 176.35 174.84 3dpq s GLN 442 N 0.37 3.01 0.00 1.70 0.74 0.39 -1.77 119.66 124.10 3dpq s GLN 442 Ca -0.01 -0.86 0.00 0.00 0.05 0.00 0.00 55.36 54.54 3dpq s GLN 442 Cb -0.04 -2.32 0.00 0.00 1.10 0.00 0.00 33.01 31.75 3dpq s GLN 442 CO -0.00 0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.27 3dpq n GLY 443 N 3.68 3.66 1.25 2.59 0.00 -0.94 -0.53 105.19 114.90 3dpq n GLY 443 Ca -0.19 -1.09 0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.37 2.65 -4.00 1.61 -0.58 -1.26 -4.22 120.64 113.47 3dpq n GLU 444 Ca 0.00 -2.51 -0.23 0.00 -0.42 0.00 0.00 57.16 53.99 3dpq n GLU 444 Cb 0.00 -1.54 -0.03 0.00 -0.57 0.00 0.00 31.44 29.30 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 -1.15 3.30 -0.14 3.49 1.81 -1.26 -4.98 118.95 120.03 3dpq s ARG 445 Ca 0.44 -0.77 -0.21 0.00 -1.72 0.00 0.00 55.73 53.47 3dpq s ARG 445 Cb 0.24 -2.84 -0.25 0.00 -0.45 0.00 0.00 34.95 31.65 3dpq s ARG 445 CO 0.32 0.46 0.54 0.87 -0.68 0.00 0.00 175.30 176.81 3dpq h LYS 446 N 1.64 0.12 -6.29 3.54 1.79 -1.89 -3.42 116.57 112.06 3dpq h LYS 446 Ca -0.50 -0.20 -0.57 0.00 -2.18 0.00 0.00 60.65 57.21 3dpq h LYS 446 Cb 1.22 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 31.90 3dpq h LYS 446 CO 0.63 1.09 1.03 0.50 -1.08 0.00 0.00 179.45 181.63 3dpq s ARG 447 N -2.37 3.93 0.44 3.15 3.52 -1.26 -0.11 118.95 126.24 3dpq s ARG 447 Ca -0.22 1.52 0.15 0.00 -0.13 0.00 0.00 55.73 57.05 3dpq s ARG 447 Cb 0.03 -3.93 1.06 0.00 -1.56 0.00 0.00 34.95 30.54 3dpq s ARG 447 CO 0.70 -1.12 1.97 0.00 -0.81 0.00 0.00 175.30 176.05 3dpq h ALA 448 N 9.73 2.06 -0.20 6.12 0.00 -1.77 0.35 119.26 135.54 3dpq h ALA 448 Ca -0.30 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 3dpq h ALA 448 Cb 1.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3dpq h ALA 448 CO 1.01 -0.20 -0.09 0.00 0.00 0.00 0.00 179.25 179.96 3dpq h ALA 449 N 1.70 1.47 -0.02 0.00 0.00 -1.90 -2.51 119.26 117.99 3dpq h ALA 449 Ca 0.28 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dpq h ALA 449 Cb 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3dpq h ALA 449 CO -0.08 0.37 0.00 -0.25 0.00 0.00 0.00 179.25 179.30 3dpq n ASP 450 N -4.28 0.29 -4.44 0.00 9.92 0.12 -4.75 116.55 113.43 3dpq n ASP 450 Ca -0.00 -2.00 -0.25 0.00 -0.53 0.00 0.00 54.79 52.00 3dpq n ASP 450 Cb 0.26 -0.10 -0.10 0.00 -0.64 0.00 0.00 41.12 40.55 3dpq n ASP 450 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 3dpq s ASN 451 N -0.84 2.93 -0.58 -2.24 0.01 -0.95 -4.80 114.94 108.48 3dpq s ASN 451 Ca 0.02 -1.49 -0.26 0.00 -0.71 0.00 0.00 52.86 50.42 3dpq s ASN 451 Cb 0.01 0.10 0.04 0.00 0.41 0.00 0.00 41.25 41.80 3dpq s ASN 451 CO 0.01 -0.70 1.04 -0.75 -1.51 0.00 0.00 177.10 175.20 3dpq s LYS 452 N -3.82 3.37 -0.19 -0.60 2.47 0.31 -4.91 119.74 116.37 3dpq s LYS 452 Ca 0.29 -0.13 -0.29 0.00 -1.56 0.00 0.00 55.97 54.28 3dpq s LYS 452 Cb 0.06 -4.06 -0.03 0.00 -1.46 0.00 0.00 37.83 32.34 3dpq s LYS 452 CO 0.14 -1.61 1.65 0.45 0.16 0.00 0.00 175.35 176.14 3dpq s SER 453 N 2.98 6.40 0.05 1.43 0.15 -1.26 -0.47 113.70 122.98 3dpq s SER 453 Ca 0.34 1.76 0.25 0.00 0.70 0.00 0.00 55.95 59.00 3dpq s SER 453 Cb -0.11 -2.53 0.54 0.00 -1.71 0.00 0.00 66.02 62.21 3dpq s SER 453 CO 0.20 -1.22 1.45 0.18 1.20 0.00 0.00 173.24 175.06 3dpq n LEU 454 N 8.31 0.52 0.00 3.45 4.77 -0.89 -4.95 117.00 128.20 3dpq n LEU 454 Ca 0.19 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3dpq n LEU 454 Cb 0.45 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3dpq n LEU 454 CO 0.64 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3dpq n GLY 455 N 1.44 4.15 3.35 -0.72 0.00 -1.25 -4.97 105.19 107.18 3dpq n GLY 455 Ca 0.05 -1.58 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 3dpq n GLY 455 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dpq s GLN 456 N -2.87 1.23 0.30 1.61 -2.07 -1.26 -0.81 119.66 115.79 3dpq s GLN 456 Ca 0.00 -1.31 -0.15 0.00 -1.82 0.00 0.00 55.36 52.08 3dpq s GLN 456 Cb 0.00 0.36 0.02 0.00 -1.09 0.00 0.00 33.01 32.30 3dpq s GLN 456 CO 0.00 -0.45 0.64 -0.59 -1.32 0.00 0.00 175.29 173.58 3dpq s PHE 457 N -4.03 0.18 -0.16 9.60 -0.71 -0.70 -5.00 117.98 117.17 3dpq s PHE 457 Ca 0.23 -0.64 0.01 0.00 -1.04 0.00 0.00 56.93 55.49 3dpq s PHE 457 Cb 0.04 0.51 0.02 0.00 -1.21 0.00 0.00 43.02 42.38 3dpq s PHE 457 CO 0.05 -1.24 -0.17 -0.80 -1.34 0.00 0.00 175.22 171.71 3dpq s ASN 458 N -3.02 2.88 -0.35 1.98 0.02 -1.26 -0.31 114.94 114.88 3dpq s ASN 458 Ca 0.17 -0.56 -0.17 0.00 -1.02 0.00 0.00 52.86 51.29 3dpq s ASN 458 Cb -0.04 -1.32 -0.00 0.00 0.02 0.00 0.00 41.25 39.91 3dpq s ASN 458 CO 0.10 -0.01 0.43 -0.22 0.02 0.00 0.00 177.10 177.42 3dpq s LEU 459 N 1.30 4.44 0.04 0.60 2.96 -0.71 -5.00 118.68 122.30 3dpq s LEU 459 Ca 0.03 -0.19 0.07 0.00 -0.22 0.00 0.00 54.13 53.82 3dpq s LEU 459 Cb -0.13 -2.45 -0.02 0.00 0.50 0.00 0.00 46.19 44.08 3dpq s LEU 459 CO -0.10 -0.42 -0.21 1.51 -1.32 0.00 0.00 176.35 175.80 3dpq s ASP 460 N 1.75 2.55 0.00 3.68 1.47 -1.26 -1.41 116.67 123.45 3dpq s ASP 460 Ca 0.15 -0.52 0.00 0.00 1.18 0.00 0.00 52.55 53.36 3dpq s ASP 460 Cb -0.16 -0.22 0.00 0.00 -0.34 0.00 0.00 42.92 42.20 3dpq s ASP 460 CO 0.13 0.18 0.00 0.61 0.68 0.00 0.00 175.17 176.77 3dpq n GLY 461 N 1.90 1.36 3.71 2.12 0.00 -1.03 -4.97 105.19 108.28 3dpq n GLY 461 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3dpq n GLY 461 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3dpq s ILE 462 N -2.00 4.53 -0.24 -0.61 2.07 -1.14 -4.95 121.20 118.86 3dpq s ILE 462 Ca 0.00 1.85 -0.31 0.00 -1.41 0.00 0.00 60.65 60.78 3dpq s ILE 462 Cb 0.00 -4.19 -0.08 0.00 0.13 0.00 0.00 42.46 38.32 3dpq s ILE 462 CO 0.00 0.17 2.16 -3.20 -1.91 0.00 0.00 174.94 172.16 3dpq n ASN 463 N 3.73 2.92 -4.64 4.50 4.05 -1.26 -4.24 115.26 120.32 3dpq n ASN 463 Ca 0.06 0.39 -0.48 0.00 0.45 0.00 0.00 54.58 55.00 3dpq n ASN 463 Cb 0.49 -1.43 -0.05 0.00 1.23 0.00 0.00 39.78 40.02 3dpq n ASN 463 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 3dpq n PRO 464 N 8.27 1.80 -3.62 1.20 -0.01 -1.26 -4.86 135.00 136.53 3dpq n PRO 464 Ca 0.33 0.65 -0.16 0.00 -0.01 0.00 0.00 63.50 64.31 3dpq n PRO 464 Cb 0.35 -2.38 -0.07 0.00 -0.01 0.00 0.00 33.50 31.39 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 0.94 -1.43 0.51 3.55 0.00 -1.26 -4.84 121.76 119.23 3dpq s ALA 465 Ca 0.82 1.11 -0.18 0.00 0.00 0.00 0.00 51.96 53.71 3dpq s ALA 465 Cb -0.78 -0.18 -0.14 0.00 0.00 0.00 0.00 23.12 22.03 3dpq s ALA 465 CO 0.42 -0.32 -0.02 -2.30 0.00 0.00 0.00 175.76 173.54 3dpq n PRO 466 N 1.39 0.08 -1.56 0.00 -0.02 -1.26 -2.99 135.00 130.63 3dpq n PRO 466 Ca -0.19 0.03 -0.47 0.00 -2.02 0.00 0.00 63.50 60.86 3dpq n PRO 466 Cb 0.56 -1.11 -0.03 0.00 -0.02 0.00 0.00 33.50 32.91 3dpq n PRO 466 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3dpq n ARG 467 N 1.26 1.12 0.00 -0.52 1.85 -1.25 -2.37 116.66 116.75 3dpq n ARG 467 Ca 0.09 0.39 0.00 0.00 -1.00 0.00 0.00 57.85 57.33 3dpq n ARG 467 Cb 0.47 -1.77 0.00 0.00 -1.05 0.00 0.00 32.46 30.11 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 1.61 3.18 0.14 2.89 0.00 -1.18 -4.89 105.19 106.94 3dpq n GLY 468 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 3dpq n GLY 468 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3dpq h MET 469 N 1.73 -0.22 -6.58 1.61 -1.53 -1.78 -3.45 114.93 104.71 3dpq h MET 469 Ca 0.00 0.02 -0.59 0.00 -3.44 0.00 0.00 59.70 55.68 3dpq h MET 469 Cb 0.00 0.05 0.10 0.00 -0.55 0.00 0.00 31.60 31.20 3dpq h MET 469 CO 0.00 0.19 0.41 -2.30 0.14 0.00 0.00 176.91 175.35 3dpq n PRO 470 N -4.97 1.78 -2.05 0.39 -0.02 -1.26 -4.92 135.00 123.96 3dpq n PRO 470 Ca -0.08 0.63 -0.31 0.00 -2.02 0.00 0.00 63.50 61.72 3dpq n PRO 470 Cb 0.26 -2.17 0.03 0.00 -0.02 0.00 0.00 33.50 31.60 3dpq n PRO 470 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3dpq n GLN 471 N 1.19 3.19 -1.91 -0.52 1.13 -1.26 -4.24 117.38 114.96 3dpq n GLN 471 Ca 0.09 -3.99 -0.43 0.00 -1.94 0.00 0.00 57.00 50.73 3dpq n GLN 471 Cb 0.32 -2.27 -0.03 0.00 0.11 0.00 0.00 30.24 28.38 3dpq n GLN 471 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 3dpq s ILE 472 N -5.09 3.36 -0.05 5.09 2.07 -1.08 -3.49 121.20 122.02 3dpq s ILE 472 Ca 0.52 0.37 -0.20 0.00 -1.41 0.00 0.00 60.65 59.93 3dpq s ILE 472 Cb 0.43 -3.50 -0.05 0.00 0.13 0.00 0.00 42.46 39.47 3dpq s ILE 472 CO -0.16 -0.33 0.57 -0.70 -1.91 0.00 0.00 174.94 172.41 3dpq s GLU 473 N 5.87 4.33 -0.19 3.50 2.56 0.11 -2.07 118.70 132.80 3dpq s GLU 473 Ca 0.84 0.66 -0.00 0.00 0.00 0.00 0.00 54.97 56.47 3dpq s GLU 473 Cb -0.25 -3.38 0.01 0.00 2.00 0.00 0.00 34.13 32.51 3dpq s GLU 473 CO 0.34 0.26 -0.16 0.08 -0.56 0.00 0.00 175.26 175.22 3dpq s VAL 474 N 0.20 2.42 -0.07 3.70 1.01 0.80 -0.40 120.40 128.06 3dpq s VAL 474 Ca 0.30 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.47 3dpq s VAL 474 Cb -0.17 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3dpq s VAL 474 CO 0.15 0.50 -0.11 -0.89 0.00 0.00 0.00 175.10 174.74 3dpq s THR 475 N 1.34 3.29 -0.21 3.92 2.01 0.09 -0.52 115.64 125.56 3dpq s THR 475 Ca 0.05 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.43 3dpq s THR 475 Cb -0.13 -2.33 0.05 0.00 0.01 0.00 0.00 72.50 70.10 3dpq s THR 475 CO -0.10 0.58 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.96 3dpq s PHE 476 N -0.57 2.50 -0.06 4.92 0.40 0.11 -1.58 117.98 123.70 3dpq s PHE 476 Ca 0.08 -1.70 0.03 0.00 -0.60 0.00 0.00 56.93 54.74 3dpq s PHE 476 Cb -0.12 -1.65 0.01 0.00 0.51 0.00 0.00 43.02 41.77 3dpq s PHE 476 CO 0.02 -0.76 -0.14 0.34 0.70 0.00 0.00 175.22 175.37 3dpq s ASP 477 N 1.37 1.96 -0.23 1.36 2.15 -0.17 0.17 116.67 123.29 3dpq s ASP 477 Ca -0.03 -0.33 0.02 0.00 0.43 0.00 0.00 52.55 52.64 3dpq s ASP 477 Cb -0.17 -0.80 0.05 0.00 -0.30 0.00 0.00 42.92 41.70 3dpq s ASP 477 CO -0.07 0.08 -0.11 -0.63 -0.17 0.00 0.00 175.17 174.26 3dpq s ILE 478 N 0.45 1.92 0.60 4.11 1.01 0.12 0.36 121.20 129.77 3dpq s ILE 478 Ca -0.12 -1.30 -0.10 0.00 0.00 0.00 0.00 60.65 59.14 3dpq s ILE 478 Cb -0.15 -1.99 0.14 0.00 0.01 0.00 0.00 42.46 40.48 3dpq s ILE 478 CO 0.04 0.11 0.63 -0.90 0.00 0.00 0.00 174.94 174.82 3dpq n ASP 479 N 4.56 -0.92 0.00 3.58 5.68 -0.59 -2.01 116.55 126.85 3dpq n ASP 479 Ca -0.15 -1.02 0.13 0.00 -0.50 0.00 0.00 54.79 53.25 3dpq n ASP 479 Cb 0.45 -0.54 0.64 0.00 -1.14 0.00 0.00 41.12 40.53 3dpq n ASP 479 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dpq n ALA 480 N -3.77 2.29 -0.13 2.12 0.00 -1.26 -2.34 120.51 117.42 3dpq n ALA 480 Ca -0.11 -0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.24 3dpq n ALA 480 Cb 0.31 -1.42 0.08 0.00 0.00 0.00 0.00 19.45 18.42 3dpq n ALA 480 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dpq n ASP 481 N -1.30 2.49 0.00 0.00 8.00 -1.26 -4.88 116.55 119.59 3dpq n ASP 481 Ca 0.12 -2.05 0.00 0.00 0.71 0.00 0.00 54.79 53.57 3dpq n ASP 481 Cb 0.21 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 3dpq n ASP 481 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dpq n GLY 482 N -0.05 0.85 3.69 0.44 0.00 -0.99 -4.71 105.19 104.43 3dpq n GLY 482 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.37 4.02 -0.17 -0.61 1.01 -1.26 -3.88 121.20 116.94 3dpq s ILE 483 Ca 0.00 1.39 -0.07 0.00 0.00 0.00 0.00 60.65 61.96 3dpq s ILE 483 Cb 0.00 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 3dpq s ILE 483 CO 0.00 0.01 0.07 -0.22 0.00 0.00 0.00 174.94 174.80 3dpq s LEU 484 N 2.12 3.88 -0.18 2.97 2.96 0.74 -1.54 118.68 129.62 3dpq s LEU 484 Ca 0.59 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.64 3dpq s LEU 484 Cb -0.28 -1.97 0.03 0.00 0.50 0.00 0.00 46.19 44.47 3dpq s LEU 484 CO 0.24 0.21 -0.17 -1.00 -1.32 0.00 0.00 176.35 174.32 3dpq s HIS 485 N 0.14 2.64 -0.12 5.38 3.76 0.16 -0.22 115.29 127.02 3dpq s HIS 485 Ca 0.05 -1.59 -0.02 0.00 -0.15 0.00 0.00 55.06 53.35 3dpq s HIS 485 Cb -0.12 -1.82 -0.03 0.00 1.11 0.00 0.00 32.58 31.73 3dpq s HIS 485 CO 0.00 -0.78 -0.07 0.08 -0.85 0.00 0.00 174.74 173.13 3dpq s VAL 486 N 1.33 3.65 0.05 -0.90 1.01 -1.02 -0.99 120.40 123.52 3dpq s VAL 486 Ca 0.03 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.60 3dpq s VAL 486 Cb -0.14 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 3dpq s VAL 486 CO -0.11 0.53 -0.13 -0.94 0.00 0.00 0.00 175.10 174.45 3dpq s SER 487 N 0.02 1.49 -0.11 3.32 1.04 -0.62 -0.19 113.70 118.65 3dpq s SER 487 Ca -0.01 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 55.92 3dpq s SER 487 Cb -0.14 -0.06 0.02 0.00 0.10 0.00 0.00 66.02 65.94 3dpq s SER 487 CO 0.03 -0.04 -0.12 0.00 0.98 0.00 0.00 173.24 174.09 3dpq s ALA 488 N -1.03 1.54 -0.19 5.32 0.00 -0.67 -0.73 121.76 125.99 3dpq s ALA 488 Ca -0.01 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 3dpq s ALA 488 Cb -0.09 -0.87 0.05 0.00 0.00 0.00 0.00 23.12 22.22 3dpq s ALA 488 CO 0.01 -0.23 -0.03 0.21 0.00 0.00 0.00 175.76 175.73 3dpq s LYS 489 N 1.29 1.24 -0.42 0.00 2.20 0.47 -2.13 119.74 122.39 3dpq s LYS 489 Ca -0.01 -0.62 -0.28 0.00 -0.36 0.00 0.00 55.97 54.70 3dpq s LYS 489 Cb -0.14 -2.19 -0.00 0.00 -1.51 0.00 0.00 37.83 33.99 3dpq s LYS 489 CO -0.05 -0.54 1.56 0.34 -0.36 0.00 0.00 175.35 176.30 3dpq s ASP 490 N 1.63 6.10 0.52 1.43 2.15 -0.45 0.08 116.67 128.15 3dpq s ASP 490 Ca -0.02 0.87 0.21 0.00 0.43 0.00 0.00 52.55 54.04 3dpq s ASP 490 Cb -0.17 -2.54 1.40 0.00 -0.30 0.00 0.00 42.92 41.32 3dpq s ASP 490 CO -0.07 -1.62 2.14 0.11 -0.17 0.00 0.00 175.17 175.56 3dpq h LYS 491 N 11.69 0.00 -0.04 4.34 1.57 -1.87 0.21 116.57 132.47 3dpq h LYS 491 Ca -0.29 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.25 3dpq h LYS 491 Cb 1.13 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.45 3dpq h LYS 491 CO 1.09 0.06 -0.91 -0.97 -0.57 0.00 0.00 179.45 178.15 3dpq h ASN 492 N 0.00 0.87 0.15 0.86 -1.24 -1.89 -3.34 115.58 110.98 3dpq h ASN 492 Ca -0.00 -0.71 -0.28 0.00 0.71 0.00 0.00 56.30 56.01 3dpq h ASN 492 Cb 0.12 -0.26 -0.05 0.00 0.73 0.00 0.00 38.32 38.85 3dpq h ASN 492 CO 0.01 1.46 -2.13 -1.54 -1.29 0.00 0.00 177.43 173.94 3dpq n SER 493 N -3.94 0.22 0.00 1.15 3.41 -1.04 -4.94 113.62 108.49 3dpq n SER 493 Ca -0.10 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3dpq n SER 493 Cb 0.81 0.89 0.00 0.00 -0.26 0.00 0.00 64.21 65.66 3dpq n SER 493 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dpq n GLY 494 N 1.61 0.62 3.71 5.00 0.00 0.72 -4.99 105.19 111.86 3dpq n GLY 494 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.20 4.24 0.05 1.61 -0.14 -1.23 -4.90 119.74 119.17 3dpq s LYS 495 Ca 0.00 2.27 -0.09 0.00 -1.36 0.00 0.00 55.97 56.79 3dpq s LYS 495 Cb 0.00 -3.25 -0.00 0.00 -1.68 0.00 0.00 37.83 32.90 3dpq s LYS 495 CO 0.00 -0.58 0.18 -2.00 -0.76 0.00 0.00 175.35 172.19 3dpq s GLU 496 N 1.36 0.71 0.23 1.68 2.12 -1.26 -1.34 118.70 122.20 3dpq s GLU 496 Ca 0.69 -0.73 -0.10 0.00 0.36 0.00 0.00 54.97 55.19 3dpq s GLU 496 Cb -0.41 0.29 -0.01 0.00 0.26 0.00 0.00 34.13 34.26 3dpq s GLU 496 CO 0.31 -0.21 0.37 -1.14 -0.54 0.00 0.00 175.26 174.06 3dpq s GLN 497 N -2.89 1.43 0.05 4.30 2.00 -0.91 -5.02 119.66 118.63 3dpq s GLN 497 Ca -0.03 -1.34 -0.08 0.00 -2.00 0.00 0.00 55.36 51.91 3dpq s GLN 497 Cb 0.00 0.41 -0.00 0.00 0.80 0.00 0.00 33.01 34.22 3dpq s GLN 497 CO -0.06 -0.56 0.17 0.15 -0.50 0.00 0.00 175.29 174.49 3dpq s LYS 498 N -4.05 0.70 0.14 1.67 1.02 -1.26 -1.68 119.74 116.29 3dpq s LYS 498 Ca 0.26 -0.75 0.05 0.00 0.02 0.00 0.00 55.97 55.55 3dpq s LYS 498 Cb 0.02 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.57 3dpq s LYS 498 CO 0.09 -0.20 -0.12 -1.50 -0.92 0.00 0.00 175.35 172.70 3dpq s ILE 499 N -2.93 1.26 -0.17 2.17 2.07 0.74 -4.99 121.20 119.35 3dpq s ILE 499 Ca -0.02 -1.91 -0.01 0.00 -1.41 0.00 0.00 60.65 57.30 3dpq s ILE 499 Cb 0.01 -1.70 0.05 0.00 0.13 0.00 0.00 42.46 40.94 3dpq s ILE 499 CO -0.06 -0.60 -0.02 -0.89 -1.91 0.00 0.00 174.94 171.46 3dpq s THR 500 N -2.78 0.93 -0.18 4.00 2.01 -1.26 -2.45 115.64 115.91 3dpq s THR 500 Ca 0.13 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 3dpq s THR 500 Cb -0.01 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 3dpq s THR 500 CO 0.02 0.02 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.28 3dpq s ILE 501 N 1.70 3.51 0.68 1.82 -1.09 0.70 -4.99 121.20 123.52 3dpq s ILE 501 Ca -0.00 -0.48 -0.11 0.00 -2.23 0.00 0.00 60.65 57.83 3dpq s ILE 501 Cb -0.16 -2.55 -0.00 0.00 -1.58 0.00 0.00 42.46 38.17 3dpq s ILE 501 CO -0.07 0.47 1.07 -0.54 -1.23 0.00 0.00 174.94 174.63 3dpq s LYS 502 N 0.85 3.05 0.30 2.79 1.02 -1.26 -0.19 119.74 126.30 3dpq s LYS 502 Ca -0.02 0.67 0.14 0.00 0.02 0.00 0.00 55.97 56.78 3dpq s LYS 502 Cb -0.15 -2.03 0.41 0.00 -0.52 0.00 0.00 37.83 35.54 3dpq s LYS 502 CO 0.01 -0.94 1.62 0.00 -0.92 0.00 0.00 175.35 175.12 3dpq h ALA 503 N -0.59 0.91 -0.01 5.17 0.00 -1.84 -2.20 119.26 120.69 3dpq h ALA 503 Ca -0.45 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 53.96 3dpq h ALA 503 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3dpq h ALA 503 CO 0.61 0.69 -0.03 -1.13 0.00 0.00 0.00 179.25 179.40 3dpq n SER 504 N -3.62 1.03 -4.75 0.00 3.41 -1.26 -4.90 113.62 103.53 3dpq n SER 504 Ca -0.00 -1.26 -0.29 0.00 -0.26 0.00 0.00 58.87 57.05 3dpq n SER 504 Cb 0.61 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.69 3dpq n SER 504 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3dpq s SER 505 N -2.08 3.66 0.00 4.04 0.01 -0.83 -4.91 113.70 113.59 3dpq s SER 505 Ca 0.39 1.32 0.00 0.00 1.31 0.00 0.00 55.95 58.96 3dpq s SER 505 Cb 0.21 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.44 3dpq s SER 505 CO 0.37 -2.50 0.00 0.61 0.41 0.00 0.00 173.24 172.13 3dpq n GLY 506 N -1.56 -0.28 3.85 3.44 0.00 -1.26 -4.96 105.19 104.41 3dpq n GLY 506 Ca 0.07 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 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 4.31 0.00 0.99 1.43 -1.26 -5.12 118.68 119.03 3dpq s LEU 507 Ca 0.00 1.07 -0.02 0.00 -1.03 0.00 0.00 54.13 54.15 3dpq s LEU 507 Cb 0.00 -3.36 0.02 0.00 0.03 0.00 0.00 46.19 42.89 3dpq s LEU 507 CO 0.00 0.07 0.13 -0.46 0.23 0.00 0.00 176.35 176.32 3dpq n ASN 508 N 0.63 -0.20 0.03 2.29 0.23 -1.26 -4.83 115.26 112.15 3dpq n ASN 508 Ca -0.04 -0.96 -0.09 0.00 -0.53 0.00 0.00 54.58 52.96 3dpq n ASN 508 Cb 0.52 -0.10 0.05 0.00 -2.08 0.00 0.00 39.78 38.16 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 0.47 0.03 -3.83 5.08 -2.00 -0.58 114.58 113.75 3dpq h GLU 509 Ca -0.04 -0.34 -0.25 0.00 -1.00 0.00 0.00 59.36 57.73 3dpq h GLU 509 Cb 0.12 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3dpq h GLU 509 CO 0.03 0.96 -1.25 -0.44 -1.00 0.00 0.00 179.01 177.31 3dpq h ASP 510 N 0.34 0.11 1.47 1.42 3.32 -1.98 0.11 116.42 121.20 3dpq h ASP 510 Ca -0.01 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3dpq h ASP 510 Cb 1.20 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3dpq h ASP 510 CO 0.11 1.11 -0.26 -0.33 -1.72 0.00 0.00 179.24 178.16 3dpq h GLU 511 N 0.02 0.00 0.08 3.56 5.08 -1.92 -1.10 114.58 120.31 3dpq h GLU 511 Ca -0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3dpq h GLU 511 Cb 1.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.13 3dpq h GLU 511 CO 0.13 0.00 -0.04 0.82 -1.00 0.00 0.00 179.01 178.92 3dpq h ILE 512 N 0.00 0.89 -0.95 3.13 2.04 -0.87 -2.11 117.51 119.64 3dpq h ILE 512 Ca 0.00 -1.43 0.17 0.00 1.00 0.00 0.00 64.86 64.60 3dpq h ILE 512 Cb 0.86 1.60 -0.10 0.00 -0.74 0.00 0.00 36.82 38.44 3dpq h ILE 512 CO 0.00 0.27 0.55 1.56 0.00 0.00 0.00 178.15 180.53 3dpq h GLN 513 N -0.94 0.71 -0.06 2.37 1.08 -0.94 -0.22 115.11 117.12 3dpq h GLN 513 Ca -0.01 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.08 3dpq h GLN 513 Cb 0.53 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 3dpq h GLN 513 CO 0.02 0.47 -0.28 0.87 -0.95 0.00 0.00 178.83 178.96 3dpq h LYS 514 N 0.73 0.11 0.13 1.46 1.57 -1.17 -0.18 116.57 119.23 3dpq h LYS 514 Ca 0.53 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 59.10 3dpq h LYS 514 Cb 0.78 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 33.10 3dpq h LYS 514 CO -0.37 0.38 -0.80 1.98 -0.57 0.00 0.00 179.45 180.08 3dpq h MET 515 N 0.10 0.31 0.00 3.15 4.05 -0.39 0.33 114.93 122.48 3dpq h MET 515 Ca 0.01 -0.51 -0.08 0.00 -0.28 0.00 0.00 59.70 58.85 3dpq h MET 515 Cb 0.55 0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.52 3dpq h MET 515 CO 0.04 1.23 -0.39 0.28 0.23 0.00 0.00 176.91 178.30 3dpq h VAL 516 N -0.35 0.85 0.27 -5.77 2.07 -1.02 -1.95 116.25 110.35 3dpq h VAL 516 Ca -0.14 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 3dpq h VAL 516 Cb 1.62 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.42 3dpq h VAL 516 CO 0.15 0.39 -0.13 0.03 0.02 0.00 0.00 177.57 178.03 3dpq h ARG 517 N 0.00 -0.35 0.00 1.57 3.08 -1.00 -2.78 114.38 114.90 3dpq h ARG 517 Ca -0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3dpq h ARG 517 Cb 1.00 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3dpq h ARG 517 CO 0.05 -0.02 0.00 -0.25 -1.07 0.00 0.00 179.97 178.68 3dpq n ASP 518 N -5.02 0.00 -0.05 7.04 8.00 0.10 -1.87 116.55 124.74 3dpq n ASP 518 Ca -0.07 0.41 -0.01 0.00 0.71 0.00 0.00 54.79 55.82 3dpq n ASP 518 Cb 0.24 -0.45 -0.01 0.00 -0.02 0.00 0.00 41.12 40.89 3dpq n ASP 518 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dpq h ALA 519 N 2.37 0.00 -1.03 2.24 0.00 -1.33 -2.72 119.26 118.80 3dpq h ALA 519 Ca 0.00 -0.08 0.28 0.00 0.00 0.00 0.00 54.91 55.11 3dpq h ALA 519 Cb 0.15 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3dpq h ALA 519 CO 0.00 0.04 0.71 1.49 0.00 0.00 0.00 179.25 181.49 3dpq h GLU 520 N -1.00 0.16 -0.00 0.00 4.57 -1.08 -0.39 114.58 116.83 3dpq h GLU 520 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3dpq h GLU 520 Cb 0.11 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3dpq h GLU 520 CO -0.00 0.10 -0.54 0.00 -1.18 0.00 0.00 179.01 177.39 3dpq n ALA 521 N -2.64 3.66 -1.25 2.92 0.00 -0.87 -3.71 120.51 118.62 3dpq n ALA 521 Ca 0.23 -0.38 0.07 0.00 0.00 0.00 0.00 53.44 53.35 3dpq n ALA 521 Cb 0.99 -1.08 0.09 0.00 0.00 0.00 0.00 19.45 19.45 3dpq n ALA 521 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dpq n ASN 522 N -1.45 1.69 0.28 0.00 3.02 -0.24 -4.81 115.26 113.75 3dpq n ASN 522 Ca 0.06 -2.71 0.16 0.00 -0.03 0.00 0.00 54.58 52.05 3dpq n ASN 522 Cb 0.34 -0.34 0.83 0.00 -0.61 0.00 0.00 39.78 40.00 3dpq n ASN 522 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dpq h ALA 523 N 0.00 1.16 0.07 5.41 0.00 -1.41 -0.33 119.26 124.16 3dpq h ALA 523 Ca 0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.58 3dpq h ALA 523 Cb 1.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3dpq h ALA 523 CO 0.00 0.08 -1.43 0.93 0.00 0.00 0.00 179.25 178.84 3dpq h GLU 524 N 0.00 0.14 0.00 0.00 4.39 -1.87 -3.08 114.58 114.16 3dpq h GLU 524 Ca -0.00 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.46 3dpq h GLU 524 Cb 0.29 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3dpq h GLU 524 CO 0.01 1.11 -0.40 0.00 -1.16 0.00 0.00 179.01 178.57 3dpq h ALA 525 N -0.20 0.76 -0.21 3.43 0.00 -1.88 -2.08 119.26 119.08 3dpq h ALA 525 Ca -0.34 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 3dpq h ALA 525 Cb 1.61 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 3dpq h ALA 525 CO -0.05 0.00 -0.12 -0.44 0.00 0.00 0.00 179.25 178.64 3dpq h ASP 526 N 0.00 0.46 0.28 0.00 5.19 -1.16 -1.65 116.42 119.55 3dpq h ASP 526 Ca 0.00 -0.43 -0.01 0.00 -0.62 0.00 0.00 57.03 55.97 3dpq h ASP 526 Cb 0.86 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.24 3dpq h ASP 526 CO 0.00 0.79 -0.14 -0.09 -3.12 0.00 0.00 179.24 176.68 3dpq h ARG 527 N 0.14 -0.36 -0.54 3.56 2.43 -1.54 -0.47 114.38 117.60 3dpq h ARG 527 Ca 0.04 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.39 3dpq h ARG 527 Cb 0.62 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 3dpq h ARG 527 CO 0.03 -0.09 0.91 -0.22 -1.51 0.00 0.00 179.97 179.09 3dpq h LYS 528 N -0.61 0.00 0.16 0.20 3.64 -1.32 1.94 116.57 120.58 3dpq h LYS 528 Ca -0.04 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.99 3dpq h LYS 528 Cb 0.44 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3dpq h LYS 528 CO 0.06 0.00 -1.82 0.35 -2.27 0.00 0.00 179.45 175.77 3dpq h PHE 529 N 0.00 0.60 -0.23 1.91 3.57 -0.14 -1.31 116.94 121.34 3dpq h PHE 529 Ca 0.26 -0.44 -0.02 0.00 3.53 0.00 0.00 57.97 61.29 3dpq h PHE 529 Cb 2.07 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.77 3dpq h PHE 529 CO 0.00 1.68 0.05 1.49 -2.23 0.00 0.00 178.31 179.29 3dpq h GLU 530 N 0.09 0.37 -0.57 1.11 4.81 0.35 -1.48 114.58 119.26 3dpq h GLU 530 Ca -0.36 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 58.82 3dpq h GLU 530 Cb 2.07 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 31.36 3dpq h GLU 530 CO 0.14 0.50 0.30 0.93 -0.73 0.00 0.00 179.01 180.16 3dpq h GLU 531 N 0.19 0.56 0.00 1.92 5.08 0.22 -1.45 114.58 121.10 3dpq h GLU 531 Ca 0.07 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3dpq h GLU 531 Cb 0.30 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3dpq h GLU 531 CO 0.00 0.37 -0.12 1.25 -1.00 0.00 0.00 179.01 179.51 3dpq h LEU 532 N 0.57 0.00 0.00 1.33 5.85 -0.86 -2.81 115.31 119.40 3dpq h LEU 532 Ca 0.26 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.78 3dpq h LEU 532 Cb 0.16 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3dpq h LEU 532 CO -0.17 0.12 -1.77 0.52 -0.34 0.00 0.00 178.44 176.80 3dpq n VAL 533 N -3.39 1.06 0.04 1.05 0.31 -0.59 -1.80 118.33 115.01 3dpq n VAL 533 Ca -0.01 -0.71 -0.04 0.00 -0.01 0.00 0.00 64.34 63.57 3dpq n VAL 533 Cb 0.31 -0.56 0.18 0.00 -0.91 0.00 0.00 33.84 32.86 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 0.42 -0.03 5.55 4.15 -1.03 -1.87 115.11 122.30 3dpq h GLN 534 Ca -0.24 -0.19 -0.11 0.00 0.77 0.00 0.00 58.65 58.88 3dpq h GLN 534 Cb 1.68 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 29.36 3dpq h GLN 534 CO 0.04 0.73 -0.39 1.15 -1.93 0.00 0.00 178.83 178.42 3dpq h THR 535 N 0.35 1.46 -0.44 2.39 2.02 -1.55 -3.01 112.91 114.13 3dpq h THR 535 Ca 0.04 -1.91 0.05 0.00 0.77 0.00 0.00 66.41 65.36 3dpq h THR 535 Cb 0.80 2.55 -0.05 0.00 -1.74 0.00 0.00 68.15 69.71 3dpq h THR 535 CO 0.06 0.54 0.17 0.03 0.37 0.00 0.00 175.52 176.69 3dpq h ARG 536 N -0.24 0.33 0.00 6.66 3.08 -1.34 -0.85 114.38 122.02 3dpq h ARG 536 Ca -0.04 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3dpq h ARG 536 Cb 1.10 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 3dpq h ARG 536 CO 0.08 0.22 -0.05 -0.91 -1.07 0.00 0.00 179.97 178.23 3dpq h ASN 537 N 0.34 0.00 1.75 7.04 2.35 -1.38 -0.46 115.58 125.22 3dpq h ASN 537 Ca 0.20 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3dpq h ASN 537 Cb 0.19 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 3dpq h ASN 537 CO -0.20 0.05 -0.25 1.56 -1.65 0.00 0.00 177.43 176.94 3dpq h GLN 538 N 0.00 0.00 0.11 0.81 4.20 -1.03 -2.87 115.11 116.33 3dpq h GLN 538 Ca -0.00 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 3dpq h GLN 538 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3dpq h GLN 538 CO 0.01 0.11 -1.21 0.78 -0.67 0.00 0.00 178.83 177.85 3dpq h GLY 539 N 3.89 0.26 1.92 3.46 0.00 -0.74 -2.33 103.07 109.54 3dpq h GLY 539 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.66 3dpq h GLY 539 CO 0.01 0.59 0.04 -1.80 0.00 0.00 0.00 176.54 175.38 3dpq h ASP 540 N -0.39 0.00 0.11 0.19 3.58 -1.16 0.38 116.42 119.13 3dpq h ASP 540 Ca -0.26 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 56.82 3dpq h ASP 540 Cb 1.67 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.69 3dpq h ASP 540 CO 0.06 0.00 -2.14 1.41 -2.88 0.00 0.00 179.24 175.69 3dpq n HIS 541 N -3.30 0.82 0.25 0.28 8.25 -1.08 -3.26 115.22 117.17 3dpq n HIS 541 Ca -0.03 0.18 0.11 0.00 -0.26 0.00 0.00 57.72 57.73 3dpq n HIS 541 Cb 0.11 -1.11 0.62 0.00 1.12 0.00 0.00 29.99 30.73 3dpq n HIS 541 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3dpq h LEU 542 N 0.04 0.00 0.00 2.41 5.85 -0.79 -3.02 115.31 119.80 3dpq h LEU 542 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3dpq h LEU 542 Cb 2.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.03 3dpq h LEU 542 CO 0.03 0.17 0.00 -0.11 -0.34 0.00 0.00 178.44 178.19 3dpq n LEU 543 N -3.58 1.03 0.00 2.25 7.94 0.13 -2.36 117.00 122.40 3dpq n LEU 543 Ca -0.01 0.33 0.00 0.00 -1.11 0.00 0.00 56.01 55.22 3dpq n LEU 543 Cb 0.31 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.25 3dpq n LEU 543 CO 0.32 -0.01 0.00 1.41 -1.11 0.00 0.00 177.39 178.00 3dpq n HIS 544 N -0.52 0.00 -0.15 1.96 8.25 -1.20 -1.55 115.22 122.02 3dpq n HIS 544 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 3dpq n HIS 544 Cb 0.00 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.13 3dpq n HIS 544 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3dpq h SER 545 N 0.00 -0.68 0.00 0.41 0.02 -1.63 0.40 113.55 112.07 3dpq h SER 545 Ca 0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3dpq h SER 545 Cb 0.00 0.38 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3dpq h SER 545 CO 0.00 -0.23 0.19 0.74 -1.14 0.00 0.00 176.83 176.39 3dpq h THR 546 N -0.09 0.00 0.00 -2.27 2.02 -0.89 3.74 112.91 115.41 3dpq h THR 546 Ca 0.22 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.28 3dpq h THR 546 Cb 0.44 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3dpq h THR 546 CO -0.53 0.00 -0.83 0.03 0.37 0.00 0.00 175.52 174.56 3dpq h ARG 547 N 0.00 0.00 0.00 6.66 3.08 0.01 -3.02 114.38 121.11 3dpq h ARG 547 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dpq h ARG 547 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3dpq h ARG 547 CO 0.00 0.67 0.00 0.36 -1.07 0.00 0.00 179.97 179.93 3dpq n LYS 548 N -4.53 0.00 0.00 0.04 2.85 0.70 -0.51 118.16 116.72 3dpq n LYS 548 Ca -0.21 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.05 3dpq n LYS 548 Cb 0.50 -0.05 0.00 0.00 -0.65 0.00 0.00 35.03 34.84 3dpq n LYS 548 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3dpq n GLN 549 N 0.00 0.00 0.00 -1.58 6.02 1.21 0.52 117.38 123.55 3dpq n GLN 549 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.10 3dpq n GLN 549 Cb 0.00 -1.56 0.05 0.00 1.02 0.00 0.00 30.24 29.75 3dpq n GLN 549 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3dpq n VAL 550 N -0.62 0.00 -0.08 5.09 0.31 0.33 -3.31 118.33 120.06 3dpq n VAL 550 Ca 0.00 -0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 3dpq n VAL 550 Cb 0.15 0.66 -0.16 0.00 -0.91 0.00 0.00 33.84 33.57 3dpq n VAL 550 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3dpq n GLU 551 N -1.50 0.68 -0.20 5.55 4.71 2.00 -4.30 120.64 127.58 3dpq n GLU 551 Ca 0.05 -0.03 0.08 0.00 -0.01 0.00 0.00 57.16 57.24 3dpq n GLU 551 Cb 0.33 -1.53 0.19 0.00 -1.01 0.00 0.00 31.44 29.42 3dpq n GLU 551 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3dpq n GLU 552 N -2.67 2.53 0.00 3.49 2.13 -1.11 -4.91 120.64 120.11 3dpq n GLU 552 Ca -0.27 -2.12 0.00 0.00 0.66 0.00 0.00 57.16 55.43 3dpq n GLU 552 Cb 1.04 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 31.39 3dpq n GLU 552 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3dpq n ALA 553 N 0.90 0.00 0.00 4.31 0.00 -1.21 -4.99 120.51 119.52 3dpq n ALA 553 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3dpq n ALA 553 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 5.00 1.22 2.72 0.00 0.00 -1.26 -4.95 105.19 107.92 3dpq n GLY 554 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3dpq n GLY 554 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dpq n ASP 555 N 0.00 6.83 0.00 1.61 5.68 -1.26 -4.75 116.55 124.66 3dpq n ASP 555 Ca 0.00 -3.71 0.03 0.00 -0.50 0.00 0.00 54.79 50.61 3dpq n ASP 555 Cb 0.00 -1.03 0.20 0.00 -1.14 0.00 0.00 41.12 39.15 3dpq n ASP 555 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3dpq n LYS 556 N -0.17 0.82 0.00 0.11 0.00 -1.26 -4.98 118.16 112.68 3dpq n LYS 556 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.76 3dpq n LYS 556 Cb 0.29 -1.13 0.00 0.00 -0.00 0.00 0.00 35.03 34.19 3dpq n LYS 556 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3dpq n LEU 557 N -0.63 0.00 0.00 -5.58 7.94 -1.26 -3.28 117.00 114.19 3dpq n LEU 557 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 3dpq n LEU 557 Cb 0.02 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.97 3dpq n LEU 557 CO 0.04 -0.01 0.00 -2.65 -1.11 0.00 0.00 177.39 173.66 3dpq n PRO 558 N 0.00 0.00 0.00 1.96 -0.02 -1.26 -4.49 135.00 131.19 3dpq n PRO 558 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3dpq n PRO 558 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3dpq n PRO 558 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dpq n ALA 559 N -3.01 0.00 1.12 3.55 0.00 -1.26 -4.75 120.51 116.16 3dpq n ALA 559 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3dpq n ALA 559 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.78 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 0.00 1.77 0.00 0.00 8.00 -1.26 -1.45 116.55 123.62 3dpq n ASP 560 Ca 0.00 -1.77 0.00 0.00 0.71 0.00 0.00 54.79 53.73 3dpq n ASP 560 Cb 0.00 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 3dpq n ASP 560 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3dpq n ASP 561 N 0.40 0.00 -0.29 -2.24 -0.08 -1.26 -4.28 116.55 108.81 3dpq n ASP 561 Ca 0.15 0.00 0.27 0.00 -1.51 0.00 0.00 54.79 53.71 3dpq n ASP 561 Cb 0.33 0.00 0.50 0.00 2.34 0.00 0.00 41.12 44.29 3dpq n ASP 561 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 3dpq n LYS 562 N -1.17 -0.05 0.03 -0.67 2.85 -1.21 -1.03 118.16 116.92 3dpq n LYS 562 Ca 0.00 1.11 -0.01 0.00 -1.05 0.00 0.00 58.31 58.36 3dpq n LYS 562 Cb 0.00 -2.03 -0.01 0.00 -0.65 0.00 0.00 35.03 32.35 3dpq n LYS 562 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3dpq h THR 563 N 0.00 0.00 -0.34 0.58 1.03 -1.51 -1.99 112.91 110.68 3dpq h THR 563 Ca 0.70 -0.00 0.09 0.00 -0.01 0.00 0.00 66.41 67.19 3dpq h THR 563 Cb 1.93 0.00 -0.06 0.00 -1.07 0.00 0.00 68.15 68.95 3dpq h THR 563 CO -0.58 0.00 -0.01 0.00 -0.01 0.00 0.00 175.52 174.92 3dpq n ALA 564 N -2.04 0.16 0.30 0.00 0.00 -0.20 0.34 120.51 119.07 3dpq n ALA 564 Ca -0.01 0.36 -0.15 0.00 0.00 0.00 0.00 53.44 53.65 3dpq n ALA 564 Cb 0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 19.45 19.15 3dpq n ALA 564 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3dpq h ILE 565 N 0.00 0.00 -1.17 0.00 1.08 -0.95 -1.16 117.51 115.31 3dpq h ILE 565 Ca 0.20 0.00 0.44 0.00 -0.39 0.00 0.00 64.86 65.11 3dpq h ILE 565 Cb 0.40 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.99 3dpq h ILE 565 CO -0.32 0.00 0.69 -0.33 -0.69 0.00 0.00 178.15 177.50 3dpq h GLU 566 N -0.89 0.02 0.00 2.37 5.08 0.65 0.12 114.58 121.93 3dpq h GLU 566 Ca -0.07 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 3dpq h GLU 566 Cb 0.72 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 3dpq h GLU 566 CO 0.04 0.01 -1.49 -1.13 -1.00 0.00 0.00 179.01 175.45 3dpq n SER 567 N -5.02 0.59 0.12 1.42 3.41 -0.68 -3.27 113.62 110.19 3dpq n SER 567 Ca 0.39 0.24 -0.00 0.00 -0.26 0.00 0.00 58.87 59.24 3dpq n SER 567 Cb 1.39 0.74 -0.00 0.00 -0.26 0.00 0.00 64.21 66.09 3dpq n SER 567 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dpq h ALA 568 N 1.72 0.59 0.00 7.33 0.00 0.19 -2.25 119.26 126.84 3dpq h ALA 568 Ca -0.10 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 54.14 3dpq h ALA 568 Cb 1.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3dpq h ALA 568 CO 0.02 0.82 -0.32 -0.07 0.00 0.00 0.00 179.25 179.70 3dpq h LEU 569 N 0.00 0.00 0.13 0.00 3.38 -1.47 -0.62 115.31 116.73 3dpq h LEU 569 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3dpq h LEU 569 Cb 1.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.23 3dpq h LEU 569 CO 0.09 0.32 -0.06 0.74 0.09 0.00 0.00 178.44 179.62 3dpq h THR 570 N 0.00 0.00 -0.98 0.22 2.02 -1.46 -0.78 112.91 111.93 3dpq h THR 570 Ca -0.00 -0.07 0.09 0.00 0.77 0.00 0.00 66.41 67.20 3dpq h THR 570 Cb 1.08 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.37 3dpq h THR 570 CO 0.04 0.00 -0.57 0.00 0.37 0.00 0.00 175.52 175.36 3dpq h ALA 571 N -1.85 -0.49 0.11 6.16 0.00 -1.26 0.19 119.26 122.12 3dpq h ALA 571 Ca -0.02 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3dpq h ALA 571 Cb 0.13 1.33 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 3dpq h ALA 571 CO 0.03 -0.94 -0.27 1.25 0.00 0.00 0.00 179.25 179.32 3dpq h LEU 572 N -0.01 -0.78 -1.52 0.00 5.85 -1.19 0.44 115.31 118.10 3dpq h LEU 572 Ca 0.18 0.09 0.30 0.00 0.84 0.00 0.00 57.88 59.29 3dpq h LEU 572 Cb 0.43 0.30 -0.09 0.00 0.37 0.00 0.00 40.66 41.68 3dpq h LEU 572 CO -0.93 -0.36 0.73 -0.08 -0.34 0.00 0.00 178.44 177.46 3dpq h GLU 573 N -0.48 0.25 0.26 1.25 4.57 0.47 0.28 114.58 121.18 3dpq h GLU 573 Ca 0.03 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3dpq h GLU 573 Cb 0.51 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 3dpq h GLU 573 CO -0.16 0.17 -0.12 1.15 -1.18 0.00 0.00 179.01 178.86 3dpq h THR 574 N 0.26 0.00 0.00 0.32 2.02 0.26 -3.22 112.91 112.56 3dpq h THR 574 Ca 0.61 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.64 3dpq h THR 574 Cb 1.81 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 3dpq h THR 574 CO -0.24 0.00 0.22 0.00 0.37 0.00 0.00 175.52 175.87 3dpq n ALA 575 N -2.29 0.67 0.23 6.16 0.00 0.56 -0.18 120.51 125.67 3dpq n ALA 575 Ca -0.04 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3dpq n ALA 575 Cb 0.14 -0.78 0.40 0.00 0.00 0.00 0.00 19.45 19.21 3dpq n ALA 575 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3dpq h LEU 576 N 0.00 0.00 0.00 0.00 3.38 -0.58 -3.20 115.31 114.92 3dpq h LEU 576 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 3dpq h LEU 576 Cb 0.44 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 3dpq h LEU 576 CO 0.00 0.09 -1.94 0.29 0.09 0.00 0.00 178.44 176.97 3dpq n LYS 577 N -3.16 0.65 -0.13 1.13 5.02 0.74 -4.85 118.16 117.57 3dpq n LYS 577 Ca 0.02 0.17 -0.06 0.00 -2.02 0.00 0.00 58.31 56.42 3dpq n LYS 577 Cb 0.45 -1.69 0.06 0.00 -0.02 0.00 0.00 35.03 33.83 3dpq n LYS 577 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dpq n GLY 578 N 1.61 -3.19 0.58 0.72 0.00 -1.21 -4.96 105.19 98.73 3dpq n GLY 578 Ca -0.22 -1.34 0.05 0.00 0.00 0.00 0.00 46.02 44.51 3dpq n GLY 578 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dpq n GLU 579 N -2.53 0.72 -2.95 1.61 1.02 -1.26 -4.98 120.64 112.28 3dpq n GLU 579 Ca 0.03 -2.15 -0.44 0.00 -0.02 0.00 0.00 57.16 54.58 3dpq n GLU 579 Cb 0.13 -0.94 -0.04 0.00 -0.02 0.00 0.00 31.44 30.57 3dpq n GLU 579 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3dpq s ASP 580 N -2.23 6.26 0.39 1.62 2.15 -1.26 -4.91 116.67 118.70 3dpq s ASP 580 Ca 0.24 -1.33 0.19 0.00 0.43 0.00 0.00 52.55 52.08 3dpq s ASP 580 Cb 0.24 -2.38 0.80 0.00 -0.30 0.00 0.00 42.92 41.28 3dpq s ASP 580 CO -0.04 -1.27 1.80 0.50 -0.17 0.00 0.00 175.17 175.99 3dpq h LYS 581 N 9.30 0.00 -0.12 4.34 3.64 -1.93 -0.52 116.57 131.29 3dpq h LYS 581 Ca -0.21 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.03 3dpq h LYS 581 Cb 1.07 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 3dpq h LYS 581 CO 1.14 0.34 -0.55 0.00 -2.27 0.00 0.00 179.45 178.11 3dpq h ALA 582 N 1.66 0.84 0.00 5.00 0.00 -1.99 -2.80 119.26 121.97 3dpq h ALA 582 Ca -0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3dpq h ALA 582 Cb 0.77 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3dpq h ALA 582 CO 0.04 0.69 -0.03 0.00 0.00 0.00 0.00 179.25 179.95 3dpq h ALA 583 N 1.14 1.00 0.01 0.00 0.00 -1.46 -1.52 119.26 118.43 3dpq h ALA 583 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.52 3dpq h ALA 583 Cb 1.05 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 3dpq h ALA 583 CO 0.09 0.04 -2.25 -0.89 0.00 0.00 0.00 179.25 176.24 3dpq n ILE 584 N -3.13 1.49 0.10 0.00 5.41 -1.14 -2.67 119.36 119.42 3dpq n ILE 584 Ca 0.01 -0.76 -0.04 0.00 1.00 0.00 0.00 62.75 62.96 3dpq n ILE 584 Cb 0.36 -0.92 0.13 0.00 -0.71 0.00 0.00 39.64 38.50 3dpq n ILE 584 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3dpq h GLU 585 N 0.01 0.17 0.00 0.38 5.08 -1.28 -0.90 114.58 118.03 3dpq h GLU 585 Ca -0.50 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 57.65 3dpq h GLU 585 Cb 2.10 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.36 3dpq h GLU 585 CO 0.01 0.73 -0.49 0.00 -1.00 0.00 0.00 179.01 178.27 3dpq h ALA 586 N 1.24 0.73 0.00 3.43 0.00 -1.39 -2.49 119.26 120.78 3dpq h ALA 586 Ca -0.01 -0.39 -0.25 0.00 0.00 0.00 0.00 54.91 54.26 3dpq h ALA 586 Cb 1.12 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3dpq h ALA 586 CO 0.09 0.51 -1.45 0.87 0.00 0.00 0.00 179.25 179.27 3dpq h LYS 587 N 0.00 0.00 0.00 0.00 1.79 -1.33 -2.87 116.57 114.16 3dpq h LYS 587 Ca -0.02 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 3dpq h LYS 587 Cb 1.32 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.96 3dpq h LYS 587 CO 0.05 0.62 -0.12 0.52 -1.08 0.00 0.00 179.45 179.43 3dpq h MET 588 N 0.00 0.00 0.18 3.15 2.86 -0.93 -2.32 114.93 117.87 3dpq h MET 588 Ca -0.19 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.13 3dpq h MET 588 Cb 1.89 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.57 3dpq h MET 588 CO 0.09 0.12 -1.47 0.37 1.06 0.00 0.00 176.91 177.08 3dpq h GLN 589 N 0.00 0.38 -0.69 1.72 5.75 -1.43 -2.05 115.11 118.79 3dpq h GLN 589 Ca -0.00 -0.65 -0.08 0.00 -0.15 0.00 0.00 58.65 57.78 3dpq h GLN 589 Cb 0.22 0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 3dpq h GLN 589 CO 0.02 1.29 0.14 0.93 -2.65 0.00 0.00 178.83 178.55 3dpq h GLU 590 N 0.10 1.13 -0.18 1.69 5.08 -1.22 -2.12 114.58 119.05 3dpq h GLU 590 Ca -0.23 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 57.79 3dpq h GLU 590 Cb 2.07 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 31.18 3dpq h GLU 590 CO 0.22 1.01 -0.09 1.25 -1.00 0.00 0.00 179.01 180.40 3dpq h LEU 591 N 1.06 0.40 -1.10 1.33 5.85 -1.52 -2.94 115.31 118.39 3dpq h LEU 591 Ca 0.21 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3dpq h LEU 591 Cb 0.41 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3dpq h LEU 591 CO 0.01 0.72 0.16 0.00 -0.34 0.00 0.00 178.44 179.00 3dpq n ALA 592 N -2.39 0.81 -0.09 1.25 0.00 -0.77 -1.36 120.51 117.95 3dpq n ALA 592 Ca -0.05 0.15 -0.23 0.00 0.00 0.00 0.00 53.44 53.31 3dpq n ALA 592 Cb 0.32 -1.02 -0.12 0.00 0.00 0.00 0.00 19.45 18.63 3dpq n ALA 592 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3dpq n GLN 593 N -2.12 0.61 -0.18 0.00 6.02 -1.00 -3.74 117.38 116.97 3dpq n GLN 593 Ca -0.01 0.42 0.01 0.00 -0.01 0.00 0.00 57.00 57.42 3dpq n GLN 593 Cb 0.19 -1.67 0.08 0.00 1.02 0.00 0.00 30.24 29.86 3dpq n GLN 593 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3dpq n VAL 594 N -4.14 0.55 -0.12 5.09 0.24 -0.47 -1.89 118.33 117.59 3dpq n VAL 594 Ca -0.38 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 3dpq n VAL 594 Cb 0.82 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 3dpq n VAL 594 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3dpq n SER 595 N 0.12 0.38 0.00 -1.34 7.64 -0.86 -3.79 113.62 115.77 3dpq n SER 595 Ca 0.06 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.24 3dpq n SER 595 Cb 0.43 0.37 0.00 0.00 -1.01 0.00 0.00 64.21 64.01 3dpq n SER 595 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3dpq n GLN 596 N -0.37 0.00 -0.16 1.43 7.27 -0.79 0.21 117.38 124.96 3dpq n GLN 596 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.08 3dpq n GLN 596 Cb 0.03 0.00 0.08 0.00 2.41 0.00 0.00 30.24 32.76 3dpq n GLN 596 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3dpq n LYS 597 N -0.13 1.71 0.05 3.69 5.02 -1.26 -0.28 118.16 126.95 3dpq n LYS 597 Ca 0.00 -0.60 -0.07 0.00 -2.02 0.00 0.00 58.31 55.62 3dpq n LYS 597 Cb 0.00 -1.59 -0.12 0.00 -0.02 0.00 0.00 35.03 33.30 3dpq n LYS 597 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3dpq h LEU 598 N 0.78 0.01 -2.10 -0.35 5.85 0.21 -3.32 115.31 116.39 3dpq h LEU 598 Ca 0.00 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3dpq h LEU 598 Cb 0.72 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3dpq h LEU 598 CO 0.09 1.01 0.18 -0.03 -0.34 0.00 0.00 178.44 179.35 3dpq h MET 599 N 0.00 0.00 0.00 1.25 4.05 0.26 -3.50 114.93 116.99 3dpq h MET 599 Ca -0.05 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 3dpq h MET 599 Cb 1.81 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.61 3dpq h MET 599 CO 0.13 0.00 0.00 -1.91 0.23 0.00 0.00 176.91 175.36