#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dkx n LEU 390 N 0.00 0.41 -4.32 7.52 4.77 -1.26 -4.96 117.00 119.16 1dkx n LEU 390 Ca 0.00 0.17 -0.17 0.00 -0.03 0.00 0.00 56.01 55.98 1dkx n LEU 390 Cb 0.00 0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.08 1dkx n LEU 390 CO 0.00 0.08 -0.28 -0.76 -1.33 0.00 0.00 177.39 175.11 1dkx s LEU 391 N -5.20 1.84 -0.19 2.23 1.43 -1.26 -5.17 118.68 112.37 1dkx s LEU 391 Ca -0.05 -1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 51.59 1dkx s LEU 391 Cb 0.10 -0.08 0.06 0.00 0.03 0.00 0.00 46.19 46.31 1dkx s LEU 391 CO 0.84 -0.66 0.48 -0.76 0.23 0.00 0.00 176.35 176.48 1dkx s LEU 392 N -3.31 -0.21 -0.38 1.79 1.43 -1.26 -5.12 118.68 111.62 1dkx s LEU 392 Ca 0.34 1.03 -0.24 0.00 -1.03 0.00 0.00 54.13 54.24 1dkx s LEU 392 Cb 0.07 1.61 0.01 0.00 0.03 0.00 0.00 46.19 47.92 1dkx s LEU 392 CO 0.12 -0.20 0.80 -0.62 0.23 0.00 0.00 176.35 176.69 1dkx s ASP 393 N 1.22 6.54 0.26 2.29 2.15 -1.26 -5.03 116.67 122.84 1dkx s ASP 393 Ca -0.08 0.30 0.07 0.00 0.43 0.00 0.00 52.55 53.28 1dkx s ASP 393 Cb -0.07 -2.40 -0.05 0.00 -0.30 0.00 0.00 42.92 40.09 1dkx s ASP 393 CO -0.11 -0.78 -0.08 0.68 -0.17 0.00 0.00 175.17 174.70 1dkx s VAL 394 N 3.20 1.67 -0.17 1.11 -7.23 -1.26 -2.24 120.40 115.48 1dkx s VAL 394 Ca 0.32 -2.15 -0.28 0.00 -1.81 0.00 0.00 61.98 58.05 1dkx s VAL 394 Cb -0.13 -2.33 -0.00 0.00 0.56 0.00 0.00 36.38 34.48 1dkx s VAL 394 CO 0.18 -0.39 0.98 0.42 -0.31 0.00 0.00 175.10 175.98 1dkx s THR 395 N -3.00 4.77 0.29 5.32 -4.23 0.14 -4.88 115.64 114.06 1dkx s THR 395 Ca 0.27 1.94 0.10 0.00 -1.18 0.00 0.00 61.69 62.82 1dkx s THR 395 Cb 0.02 -4.27 0.01 0.00 1.34 0.00 0.00 72.50 69.60 1dkx s THR 395 CO 0.10 -0.06 1.67 1.55 -0.54 0.00 0.00 174.62 177.34 1dkx h PRO 396 N 7.29 0.06 -5.05 3.99 0.13 -1.94 0.81 132.00 137.30 1dkx h PRO 396 Ca -0.26 -0.04 -0.35 0.00 -0.87 0.00 0.00 66.00 64.48 1dkx h PRO 396 Cb 1.11 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.10 1dkx h PRO 396 CO 0.90 0.58 -0.68 -0.51 -0.23 0.00 0.00 178.00 178.06 1dkx s LEU 397 N -7.87 2.29 0.46 1.56 1.43 -1.26 -4.50 118.68 110.79 1dkx s LEU 397 Ca -0.02 -1.15 -0.23 0.00 -1.03 0.00 0.00 54.13 51.70 1dkx s LEU 397 Cb 0.13 -0.27 -0.07 0.00 0.03 0.00 0.00 46.19 46.00 1dkx s LEU 397 CO 0.76 -0.46 1.14 -0.44 0.23 0.00 0.00 176.35 177.58 1dkx s SER 398 N -3.25 6.22 -0.07 2.29 0.01 -1.22 -4.40 113.70 113.29 1dkx s SER 398 Ca 0.24 2.24 0.05 0.00 1.31 0.00 0.00 55.95 59.79 1dkx s SER 398 Cb 0.05 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 1dkx s SER 398 CO 0.06 -0.88 -0.23 -0.76 0.41 0.00 0.00 173.24 171.83 1dkx s LEU 399 N -3.07 2.03 0.00 2.44 1.43 0.54 -1.25 118.68 120.81 1dkx s LEU 399 Ca 0.64 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1dkx s LEU 399 Cb -0.27 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.65 1dkx s LEU 399 CO 0.32 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.71 1dkx n GLY 400 N 3.18 2.03 3.24 -3.19 0.00 -0.50 -0.46 105.19 109.48 1dkx n GLY 400 Ca -0.18 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 1dkx n GLY 400 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1dkx s ILE 401 N -2.61 0.78 -0.06 -0.61 -4.36 -0.01 0.20 121.20 114.52 1dkx s ILE 401 Ca 0.00 -1.99 -0.25 0.00 -0.26 0.00 0.00 60.65 58.15 1dkx s ILE 401 Cb 0.00 -2.05 -0.03 0.00 1.25 0.00 0.00 42.46 41.63 1dkx s ILE 401 CO 0.00 -0.55 0.78 -0.70 0.24 0.00 0.00 174.94 174.71 1dkx s GLU 402 N -3.88 4.45 0.45 0.37 2.12 -0.79 -0.77 118.70 120.65 1dkx s GLU 402 Ca 0.22 1.02 0.06 0.00 0.36 0.00 0.00 54.97 56.63 1dkx s GLU 402 Cb 0.05 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1dkx s GLU 402 CO 0.03 -0.00 0.15 0.95 -0.54 0.00 0.00 175.26 175.84 1dkx s THR 403 N 0.99 1.96 -0.12 -1.70 -4.23 -0.35 -4.72 115.64 107.47 1dkx s THR 403 Ca 0.41 -1.78 -0.38 0.00 -1.18 0.00 0.00 61.69 58.76 1dkx s THR 403 Cb -0.18 -2.74 -0.15 0.00 1.34 0.00 0.00 72.50 70.77 1dkx s THR 403 CO 0.20 0.00 1.64 0.80 -0.54 0.00 0.00 174.62 176.72 1dkx n MET 404 N -1.27 1.37 0.00 3.99 1.56 -1.26 -1.09 117.12 120.43 1dkx n MET 404 Ca -0.05 0.50 0.00 0.00 -0.27 0.00 0.00 57.70 57.88 1dkx n MET 404 Cb 0.65 -2.20 0.00 0.00 2.15 0.00 0.00 33.22 33.82 1dkx n MET 404 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1dkx n GLY 405 N 3.72 0.77 2.01 -5.12 0.00 -1.26 -4.50 105.19 100.80 1dkx n GLY 405 Ca 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.21 1dkx n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dkx n GLY 406 N -0.98 0.37 3.76 -0.02 0.00 -0.25 -4.98 105.19 103.09 1dkx n GLY 406 Ca 0.00 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 1dkx n GLY 406 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dkx s VAL 407 N -2.50 4.54 -0.07 1.61 0.11 -1.13 -1.08 120.40 121.88 1dkx s VAL 407 Ca 0.04 -0.59 -0.21 0.00 -2.93 0.00 0.00 61.98 58.29 1dkx s VAL 407 Cb -0.02 -3.11 -0.04 0.00 -1.53 0.00 0.00 36.38 31.68 1dkx s VAL 407 CO 0.05 0.27 0.61 -0.32 -3.33 0.00 0.00 175.10 172.37 1dkx s MET 408 N -1.96 4.38 -0.21 1.54 1.75 0.28 -1.21 119.30 123.87 1dkx s MET 408 Ca 0.25 0.72 -0.03 0.00 -1.25 0.00 0.00 55.69 55.37 1dkx s MET 408 Cb -0.12 -3.42 -0.01 0.00 2.84 0.00 0.00 34.83 34.12 1dkx s MET 408 CO 0.16 0.16 -0.05 0.99 -0.65 0.00 0.00 175.02 175.63 1dkx s THR 409 N 0.52 3.35 -0.04 10.11 2.01 0.05 -4.93 115.64 126.72 1dkx s THR 409 Ca 0.33 -0.51 -0.27 0.00 0.31 0.00 0.00 61.69 61.55 1dkx s THR 409 Cb -0.17 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 1dkx s THR 409 CO 0.16 0.44 0.85 -0.89 -0.69 0.00 0.00 174.62 174.49 1dkx s THR 410 N 1.30 4.95 -0.25 -0.82 2.01 -1.26 -0.83 115.64 120.74 1dkx s THR 410 Ca 0.04 1.78 0.00 0.00 0.31 0.00 0.00 61.69 63.82 1dkx s THR 410 Cb -0.14 -4.19 -0.16 0.00 0.01 0.00 0.00 72.50 68.02 1dkx s THR 410 CO -0.02 0.19 -0.23 0.18 -0.69 0.00 0.00 174.62 174.05 1dkx n LEU 411 N 3.91 2.85 -4.09 4.42 7.99 0.39 -4.89 117.00 127.58 1dkx n LEU 411 Ca 0.03 -0.08 -0.32 0.00 -0.01 0.00 0.00 56.01 55.62 1dkx n LEU 411 Cb 0.51 -0.86 -0.16 0.00 -0.11 0.00 0.00 43.42 42.80 1dkx n LEU 411 CO 0.50 0.88 -0.51 -0.63 -1.51 0.00 0.00 177.39 176.12 1dkx s ILE 412 N -2.50 2.03 0.78 -0.08 -1.09 -0.23 -4.82 121.20 115.28 1dkx s ILE 412 Ca -0.34 -1.08 -0.11 0.00 -2.23 0.00 0.00 60.65 56.89 1dkx s ILE 412 Cb 0.09 -1.92 0.06 0.00 -1.58 0.00 0.00 42.46 39.11 1dkx s ILE 412 CO 0.56 0.38 1.09 0.00 -1.23 0.00 0.00 174.94 175.74 1dkx s ALA 413 N 1.27 2.24 0.40 9.38 0.00 -1.26 -0.34 121.76 133.45 1dkx s ALA 413 Ca 0.01 0.16 -0.27 0.00 0.00 0.00 0.00 51.96 51.86 1dkx s ALA 413 Cb -0.15 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 1dkx s ALA 413 CO -0.11 -1.73 1.47 0.21 0.00 0.00 0.00 175.76 175.60 1dkx s LYS 414 N -4.95 3.99 -1.01 0.00 2.20 -1.26 -3.25 119.74 115.46 1dkx s LYS 414 Ca 0.61 2.53 -0.06 0.00 -0.36 0.00 0.00 55.97 58.69 1dkx s LYS 414 Cb -0.16 -2.88 0.01 0.00 -1.51 0.00 0.00 37.83 33.28 1dkx s LYS 414 CO 0.56 -0.61 0.81 0.09 -0.36 0.00 0.00 175.35 175.83 1dkx n ASN 415 N 0.27 -5.17 -4.84 1.43 5.03 0.28 -4.95 115.26 107.32 1dkx n ASN 415 Ca 0.02 -0.37 -0.38 0.00 0.87 0.00 0.00 54.58 54.72 1dkx n ASN 415 Cb 0.40 -3.80 -0.06 0.00 -1.02 0.00 0.00 39.78 35.30 1dkx n ASN 415 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1dkx s THR 416 N -3.20 5.11 0.12 3.41 2.01 -1.20 -4.71 115.64 117.17 1dkx s THR 416 Ca 0.40 0.74 -0.25 0.00 0.31 0.00 0.00 61.69 62.89 1dkx s THR 416 Cb -0.18 -3.66 -0.07 0.00 0.01 0.00 0.00 72.50 68.60 1dkx s THR 416 CO 0.50 0.58 0.78 0.42 -0.69 0.00 0.00 174.62 176.20 1dkx s THR 417 N -1.00 4.51 0.21 -0.82 -4.23 -1.26 -0.68 115.64 112.37 1dkx s THR 417 Ca 0.22 1.69 0.05 0.00 -1.18 0.00 0.00 61.69 62.47 1dkx s THR 417 Cb -0.16 -4.14 -0.04 0.00 1.34 0.00 0.00 72.50 69.51 1dkx s THR 417 CO 0.12 0.46 0.22 0.27 -0.54 0.00 0.00 174.62 175.15 1dkx s ILE 418 N -0.69 4.76 0.85 2.99 -4.36 -0.95 -4.37 121.20 119.42 1dkx s ILE 418 Ca 0.37 -1.11 -0.11 0.00 -0.26 0.00 0.00 60.65 59.54 1dkx s ILE 418 Cb -0.22 -3.51 0.11 0.00 1.25 0.00 0.00 42.46 40.08 1dkx s ILE 418 CO 0.25 -0.23 1.15 -2.16 0.24 0.00 0.00 174.94 174.19 1dkx s PRO 419 N -3.55 1.48 -0.21 0.37 0.04 -1.26 -4.85 135.00 127.03 1dkx s PRO 419 Ca 0.33 1.52 -0.27 0.00 0.04 0.00 0.00 61.00 62.61 1dkx s PRO 419 Cb -0.09 -1.78 0.10 0.00 0.04 0.00 0.00 34.50 32.77 1dkx s PRO 419 CO 0.26 -2.28 0.90 -0.08 0.04 0.00 0.00 177.00 175.83 1dkx s THR 420 N -2.57 0.00 -0.05 1.26 -1.32 -0.56 -5.01 115.64 107.40 1dkx s THR 420 Ca 0.67 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 61.13 1dkx s THR 420 Cb -0.23 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.79 1dkx s THR 420 CO 0.55 0.00 0.08 -0.75 -2.21 0.00 0.00 174.62 172.29 1dkx s LYS 421 N -0.35 -0.04 0.06 7.08 2.20 -1.26 -0.57 119.74 126.87 1dkx s LYS 421 Ca -0.01 0.37 0.04 0.00 -0.36 0.00 0.00 55.97 56.01 1dkx s LYS 421 Cb -0.03 -0.38 -0.03 0.00 -1.51 0.00 0.00 37.83 35.88 1dkx s LYS 421 CO 0.00 -0.28 -0.12 -1.01 -0.36 0.00 0.00 175.35 173.59 1dkx s HIS 422 N 1.86 1.04 0.13 4.03 3.76 -0.05 -5.00 115.29 121.05 1dkx s HIS 422 Ca 0.00 -0.46 0.02 0.00 -0.15 0.00 0.00 55.06 54.47 1dkx s HIS 422 Cb -0.12 -0.60 -0.04 0.00 1.11 0.00 0.00 32.58 32.93 1dkx s HIS 422 CO -0.04 0.01 -0.05 -1.12 -0.85 0.00 0.00 174.74 172.70 1dkx s SER 423 N -1.65 1.21 -0.12 1.40 0.01 -1.26 -0.70 113.70 112.59 1dkx s SER 423 Ca -0.04 -1.06 -0.26 0.00 1.31 0.00 0.00 55.95 55.89 1dkx s SER 423 Cb -0.10 0.10 0.06 0.00 0.21 0.00 0.00 66.02 66.29 1dkx s SER 423 CO 0.02 -0.49 0.64 -1.58 0.41 0.00 0.00 173.24 172.24 1dkx s GLN 424 N -3.85 0.91 -0.20 12.44 0.74 -0.57 -5.00 119.66 124.13 1dkx s GLN 424 Ca 0.16 0.47 -0.09 0.00 0.05 0.00 0.00 55.36 55.96 1dkx s GLN 424 Cb 0.05 0.43 -0.04 0.00 1.10 0.00 0.00 33.01 34.55 1dkx s GLN 424 CO -0.02 -0.23 0.10 0.08 -0.55 0.00 0.00 175.29 174.67 1dkx s VAL 425 N -0.62 4.98 0.53 1.34 1.01 -1.26 -0.78 120.40 125.60 1dkx s VAL 425 Ca -0.07 0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1dkx s VAL 425 Cb -0.02 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 33.10 1dkx s VAL 425 CO 0.06 0.42 0.15 -0.36 0.00 0.00 0.00 175.10 175.37 1dkx s PHE 426 N 0.63 1.69 0.12 5.22 0.40 0.37 -4.94 117.98 121.48 1dkx s PHE 426 Ca 0.05 -0.95 0.01 0.00 -0.60 0.00 0.00 56.93 55.45 1dkx s PHE 426 Cb -0.13 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.69 1dkx s PHE 426 CO 0.01 -0.06 0.13 0.45 0.70 0.00 0.00 175.22 176.45 1dkx n SER 427 N -1.48 -0.35 -4.87 1.36 2.88 -1.26 -1.08 113.62 108.82 1dkx n SER 427 Ca -0.14 -1.76 -0.31 0.00 -1.33 0.00 0.00 58.87 55.34 1dkx n SER 427 Cb 0.66 0.73 -0.04 0.00 -0.75 0.00 0.00 64.21 64.81 1dkx n SER 427 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1dkx s THR 428 N -2.52 4.80 -0.19 2.46 -4.23 -1.26 -4.88 115.64 109.82 1dkx s THR 428 Ca 0.13 0.61 0.22 0.00 -1.18 0.00 0.00 61.69 61.48 1dkx s THR 428 Cb 0.00 -3.69 -0.11 0.00 1.34 0.00 0.00 72.50 70.05 1dkx s THR 428 CO 0.09 -0.36 0.87 0.00 -0.54 0.00 0.00 174.62 174.68 1dkx n ALA 429 N -0.90 2.65 -2.55 3.99 0.00 -1.26 -1.53 120.51 120.91 1dkx n ALA 429 Ca 0.02 -0.33 -0.23 0.00 0.00 0.00 0.00 53.44 52.90 1dkx n ALA 429 Cb 0.54 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.86 1dkx n ALA 429 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1dkx s GLU 430 N -3.40 1.13 0.45 0.00 2.56 -1.26 -4.87 118.70 113.30 1dkx s GLU 430 Ca -0.03 -1.05 -0.25 0.00 0.00 0.00 0.00 54.97 53.64 1dkx s GLU 430 Cb 0.11 -1.31 -0.08 0.00 2.00 0.00 0.00 34.13 34.85 1dkx s GLU 430 CO 0.83 0.31 1.35 -0.51 -0.56 0.00 0.00 175.26 176.68 1dkx s ASP 431 N -1.66 5.97 -1.95 -1.70 1.01 -1.26 -2.20 116.67 114.88 1dkx s ASP 431 Ca 0.05 2.75 0.00 0.00 0.71 0.00 0.00 52.55 56.06 1dkx s ASP 431 Cb -0.10 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.19 1dkx s ASP 431 CO 0.03 -1.10 0.00 -3.20 0.21 0.00 0.00 175.17 171.12 1dkx n ASN 432 N -0.23 -5.65 -4.70 0.27 5.15 -0.16 -4.87 115.26 105.08 1dkx n ASN 432 Ca 0.06 0.23 -0.42 0.00 -0.60 0.00 0.00 54.58 53.84 1dkx n ASN 432 Cb 0.43 -4.83 -0.03 0.00 -0.53 0.00 0.00 39.78 34.83 1dkx n ASN 432 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1dkx s GLN 433 N -4.46 4.29 0.03 1.20 0.74 -0.93 -4.88 119.66 115.65 1dkx s GLN 433 Ca 0.00 2.05 0.23 0.00 0.05 0.00 0.00 55.36 57.69 1dkx s GLN 433 Cb 0.00 -3.46 0.05 0.00 1.10 0.00 0.00 33.01 30.70 1dkx s GLN 433 CO 0.00 -0.54 1.04 -1.13 -0.55 0.00 0.00 175.29 174.11 1dkx n SER 434 N 4.87 0.64 -3.70 6.67 3.41 -1.26 -4.71 113.62 119.54 1dkx n SER 434 Ca 0.13 -0.34 -0.11 0.00 -0.26 0.00 0.00 58.87 58.29 1dkx n SER 434 Cb 0.43 0.80 -0.06 0.00 -0.26 0.00 0.00 64.21 65.12 1dkx n SER 434 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dkx s ALA 435 N -3.15 -0.79 0.07 7.33 0.00 -1.26 -1.08 121.76 122.88 1dkx s ALA 435 Ca 0.05 -0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.02 1dkx s ALA 435 Cb 0.15 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 1dkx s ALA 435 CO 0.80 -0.54 -0.18 0.14 0.00 0.00 0.00 175.76 175.98 1dkx s VAL 436 N -3.29 1.48 -0.19 0.00 -7.23 -0.32 -4.98 120.40 105.88 1dkx s VAL 436 Ca -0.00 -1.28 -0.07 0.00 -1.81 0.00 0.00 61.98 58.82 1dkx s VAL 436 Cb 0.01 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 1dkx s VAL 436 CO -0.08 0.01 0.05 -0.89 -0.31 0.00 0.00 175.10 173.88 1dkx s THR 437 N -0.99 4.52 -0.39 5.32 2.01 -1.26 -1.26 115.64 123.59 1dkx s THR 437 Ca 0.04 -0.12 -0.12 0.00 0.31 0.00 0.00 61.69 61.81 1dkx s THR 437 Cb -0.09 -3.05 0.03 0.00 0.01 0.00 0.00 72.50 69.41 1dkx s THR 437 CO 0.03 0.44 0.23 -0.63 -0.69 0.00 0.00 174.62 174.00 1dkx s ILE 438 N 0.66 4.67 -0.39 1.82 -1.09 0.10 -4.95 121.20 122.02 1dkx s ILE 438 Ca 0.02 -0.90 -0.10 0.00 -2.23 0.00 0.00 60.65 57.45 1dkx s ILE 438 Cb -0.13 -3.64 0.05 0.00 -1.58 0.00 0.00 42.46 37.16 1dkx s ILE 438 CO 0.02 -0.29 0.22 -2.28 -1.23 0.00 0.00 174.94 171.37 1dkx s HIS 439 N 1.56 3.28 0.05 3.97 5.65 -1.26 -1.60 115.29 126.94 1dkx s HIS 439 Ca 0.02 -1.26 -0.30 0.00 0.25 0.00 0.00 55.06 53.78 1dkx s HIS 439 Cb -0.20 -2.64 -0.04 0.00 -1.18 0.00 0.00 32.58 28.52 1dkx s HIS 439 CO 0.07 -0.75 1.00 0.08 -0.65 0.00 0.00 174.74 174.49 1dkx s VAL 440 N 1.48 4.61 0.09 0.89 1.01 0.05 -1.89 120.40 126.64 1dkx s VAL 440 Ca 0.02 1.98 0.07 0.00 0.00 0.00 0.00 61.98 64.04 1dkx s VAL 440 Cb -0.21 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 1dkx s VAL 440 CO 0.04 0.21 -0.17 -0.76 0.00 0.00 0.00 175.10 174.43 1dkx s LEU 441 N 0.60 2.30 -0.10 3.92 1.43 0.13 -0.60 118.68 126.36 1dkx s LEU 441 Ca 0.51 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1dkx s LEU 441 Cb -0.23 -0.68 0.02 0.00 0.03 0.00 0.00 46.19 45.33 1dkx s LEU 441 CO 0.29 -0.03 -0.10 -1.58 0.23 0.00 0.00 176.35 175.17 1dkx s GLN 442 N -1.91 1.62 0.00 1.70 0.74 0.47 -1.42 119.66 120.88 1dkx s GLN 442 Ca 0.03 -0.33 0.00 0.00 0.05 0.00 0.00 55.36 55.11 1dkx s GLN 442 Cb -0.09 -1.54 0.00 0.00 1.10 0.00 0.00 33.01 32.48 1dkx s GLN 442 CO 0.03 -0.15 0.00 0.41 -0.55 0.00 0.00 175.29 175.03 1dkx n GLY 443 N 4.50 -2.06 0.00 2.59 0.00 -0.38 -0.53 105.19 109.31 1dkx n GLY 443 Ca -0.17 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1dkx n GLY 443 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dkx n GLU 444 N -0.94 1.64 -2.42 1.61 -0.58 -1.26 -3.39 120.64 115.29 1dkx n GLU 444 Ca 0.00 -1.14 -0.30 0.00 -0.42 0.00 0.00 57.16 55.31 1dkx n GLU 444 Cb 0.00 -0.97 -0.01 0.00 -0.57 0.00 0.00 31.44 29.89 1dkx n GLU 444 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1dkx s ARG 445 N -0.64 3.66 -0.02 3.49 1.81 -1.26 -4.93 118.95 121.06 1dkx s ARG 445 Ca 0.00 0.52 -0.01 0.00 -1.72 0.00 0.00 55.73 54.51 1dkx s ARG 445 Cb 0.00 -2.26 -0.27 0.00 -0.45 0.00 0.00 34.95 31.97 1dkx s ARG 445 CO 0.00 -0.29 0.77 0.87 -0.68 0.00 0.00 175.30 175.97 1dkx h LYS 446 N 0.36 0.22 -6.13 3.54 1.79 -1.91 -3.43 116.57 111.01 1dkx h LYS 446 Ca -0.46 -0.37 -0.57 0.00 -2.18 0.00 0.00 60.65 57.06 1dkx h LYS 446 Cb 1.19 0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 31.93 1dkx h LYS 446 CO 0.62 1.05 0.78 0.50 -1.08 0.00 0.00 179.45 181.32 1dkx s ARG 447 N -2.61 4.28 0.26 3.15 3.52 -1.26 -0.56 118.95 125.73 1dkx s ARG 447 Ca -0.10 1.43 -0.02 0.00 -0.13 0.00 0.00 55.73 56.92 1dkx s ARG 447 Cb 0.07 -3.65 0.49 0.00 -1.56 0.00 0.00 34.95 30.31 1dkx s ARG 447 CO 0.84 -0.59 1.79 0.00 -0.81 0.00 0.00 175.30 176.53 1dkx h ALA 448 N 7.54 1.29 0.00 6.12 0.00 -1.37 -0.66 119.26 132.19 1dkx h ALA 448 Ca -0.23 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1dkx h ALA 448 Cb 1.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1dkx h ALA 448 CO 0.96 0.03 0.00 0.00 0.00 0.00 0.00 179.25 180.24 1dkx h ALA 449 N 1.52 1.00 -0.03 0.00 0.00 -1.92 -1.94 119.26 117.89 1dkx h ALA 449 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1dkx h ALA 449 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1dkx h ALA 449 CO -0.30 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.70 1dkx n ASP 450 N -2.75 1.28 -4.83 0.00 8.00 -0.26 -4.90 116.55 113.09 1dkx n ASP 450 Ca -0.01 -1.45 -0.23 0.00 0.71 0.00 0.00 54.79 53.81 1dkx n ASP 450 Cb 0.14 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.18 1dkx n ASP 450 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1dkx s ASN 451 N -1.94 4.76 -0.19 -2.24 0.01 -0.73 -4.78 114.94 109.82 1dkx s ASN 451 Ca 0.39 -0.94 -0.26 0.00 -0.71 0.00 0.00 52.86 51.33 1dkx s ASN 451 Cb 0.21 -0.39 -0.01 0.00 0.41 0.00 0.00 41.25 41.47 1dkx s ASN 451 CO 0.33 -0.68 0.87 -0.75 -1.51 0.00 0.00 177.10 175.36 1dkx s LYS 452 N -4.07 4.27 -0.03 -0.60 2.47 0.31 -4.88 119.74 117.21 1dkx s LYS 452 Ca 0.43 1.07 -0.30 0.00 -1.56 0.00 0.00 55.97 55.62 1dkx s LYS 452 Cb -0.00 -3.60 -0.03 0.00 -1.46 0.00 0.00 37.83 32.74 1dkx s LYS 452 CO 0.25 -0.42 1.06 0.45 0.16 0.00 0.00 175.35 176.84 1dkx s SER 453 N 1.21 7.24 -0.00 1.43 0.15 -1.26 -0.39 113.70 122.08 1dkx s SER 453 Ca 0.39 1.71 0.20 0.00 0.70 0.00 0.00 55.95 58.95 1dkx s SER 453 Cb -0.16 -2.57 -0.23 0.00 -1.71 0.00 0.00 66.02 61.35 1dkx s SER 453 CO 0.11 -0.39 0.85 0.18 1.20 0.00 0.00 173.24 175.19 1dkx n LEU 454 N 4.38 0.92 0.00 3.45 4.77 0.23 -4.94 117.00 125.82 1dkx n LEU 454 Ca 0.08 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1dkx n LEU 454 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1dkx n LEU 454 CO 0.53 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1dkx n GLY 455 N 1.48 1.72 3.30 -0.72 0.00 -1.24 -4.97 105.19 104.75 1dkx n GLY 455 Ca 0.03 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 1dkx n GLY 455 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dkx s GLN 456 N -1.49 0.92 0.17 1.61 -2.07 -1.26 -0.77 119.66 116.78 1dkx s GLN 456 Ca 0.00 -0.48 -0.18 0.00 -1.82 0.00 0.00 55.36 52.88 1dkx s GLN 456 Cb 0.00 0.40 0.04 0.00 -1.09 0.00 0.00 33.01 32.36 1dkx s GLN 456 CO 0.00 -0.32 0.50 -0.59 -1.32 0.00 0.00 175.29 173.56 1dkx s PHE 457 N -2.78 -0.20 0.12 9.60 -0.71 -0.63 -4.99 117.98 118.39 1dkx s PHE 457 Ca -0.03 -0.12 0.08 0.00 -1.04 0.00 0.00 56.93 55.82 1dkx s PHE 457 Cb -0.00 0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 42.15 1dkx s PHE 457 CO -0.05 -0.85 -0.12 -0.80 -1.34 0.00 0.00 175.22 172.06 1dkx s ASN 458 N -2.84 4.24 -0.21 1.98 0.02 -1.26 0.02 114.94 116.88 1dkx s ASN 458 Ca 0.06 -0.47 0.02 0.00 -1.02 0.00 0.00 52.86 51.45 1dkx s ASN 458 Cb -0.00 -0.74 0.04 0.00 0.02 0.00 0.00 41.25 40.57 1dkx s ASN 458 CO -0.07 0.16 -0.16 -0.22 0.02 0.00 0.00 177.10 176.84 1dkx s LEU 459 N -2.32 2.67 0.00 0.60 2.96 -0.39 -4.83 118.68 117.37 1dkx s LEU 459 Ca 0.21 -0.96 0.01 0.00 -0.22 0.00 0.00 54.13 53.17 1dkx s LEU 459 Cb -0.10 -1.50 0.01 0.00 0.50 0.00 0.00 46.19 45.10 1dkx s LEU 459 CO 0.13 -0.08 0.10 -0.90 -1.32 0.00 0.00 176.35 174.27 1dkx n ASP 460 N 4.54 1.66 0.00 3.68 5.75 -1.26 -1.17 116.55 129.76 1dkx n ASP 460 Ca -0.18 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 1dkx n ASP 460 Cb 0.47 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1dkx n ASP 460 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dkx n GLY 461 N 3.13 0.56 3.71 6.12 0.00 -0.75 -4.93 105.19 113.03 1dkx n GLY 461 Ca -0.02 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1dkx n GLY 461 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dkx s ILE 462 N -2.00 3.82 0.50 -0.61 1.01 -0.24 -4.98 121.20 118.71 1dkx s ILE 462 Ca 0.00 1.29 -0.19 0.00 0.00 0.00 0.00 60.65 61.75 1dkx s ILE 462 Cb 0.00 -3.83 -0.08 0.00 0.01 0.00 0.00 42.46 38.57 1dkx s ILE 462 CO 0.00 0.08 1.04 0.20 0.00 0.00 0.00 174.94 176.26 1dkx s ASN 463 N 1.20 6.25 0.09 3.58 0.02 -1.26 -4.44 114.94 120.39 1dkx s ASN 463 Ca 0.61 1.90 -0.35 0.00 -1.02 0.00 0.00 52.86 54.00 1dkx s ASN 463 Cb -0.31 -2.55 -0.15 0.00 0.02 0.00 0.00 41.25 38.25 1dkx s ASN 463 CO 0.29 -0.84 1.51 -0.81 0.02 0.00 0.00 177.10 177.26 1dkx n PRO 464 N -1.16 1.71 -3.48 -0.60 -0.04 -1.26 -4.86 135.00 125.32 1dkx n PRO 464 Ca 0.09 0.62 -0.10 0.00 -0.04 0.00 0.00 63.50 64.07 1dkx n PRO 464 Cb 0.53 -2.34 -0.02 0.00 -0.04 0.00 0.00 33.50 31.62 1dkx n PRO 464 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dkx s ALA 465 N 1.08 -1.75 0.74 0.55 0.00 -1.26 -4.97 121.76 116.14 1dkx s ALA 465 Ca 0.83 0.86 -0.14 0.00 0.00 0.00 0.00 51.96 53.51 1dkx s ALA 465 Cb -0.81 0.54 0.04 0.00 0.00 0.00 0.00 23.12 22.90 1dkx s ALA 465 CO 0.44 -0.70 1.16 -2.14 0.00 0.00 0.00 175.76 174.51 1dkx s PRO 466 N -3.24 2.21 0.58 0.00 0.02 -1.26 -0.99 135.00 132.32 1dkx s PRO 466 Ca 0.03 1.55 -0.20 0.00 0.02 0.00 0.00 61.00 62.41 1dkx s PRO 466 Cb -0.01 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.61 1dkx s PRO 466 CO -0.10 -1.74 1.24 -0.98 -0.33 0.00 0.00 177.00 175.10 1dkx s ARG 467 N -4.18 3.00 0.00 5.54 1.70 -1.26 -2.96 118.95 120.80 1dkx s ARG 467 Ca 0.69 1.93 0.00 0.00 -0.47 0.00 0.00 55.73 57.89 1dkx s ARG 467 Cb -0.24 -2.02 0.00 0.00 -0.57 0.00 0.00 34.95 32.12 1dkx s ARG 467 CO 0.47 -1.21 0.00 0.41 -1.08 0.00 0.00 175.30 173.89 1dkx n GLY 468 N 0.61 0.80 0.13 3.88 0.00 -0.58 -4.88 105.19 105.15 1dkx n GLY 468 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 1dkx n GLY 468 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1dkx n MET 469 N -2.38 0.65 -1.68 1.61 2.81 -1.16 -4.86 117.12 112.12 1dkx n MET 469 Ca 0.00 0.17 -0.39 0.00 -1.81 0.00 0.00 57.70 55.67 1dkx n MET 469 Cb 0.00 -1.53 0.04 0.00 -0.71 0.00 0.00 33.22 31.02 1dkx n MET 469 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1dkx n PRO 470 N -3.36 1.44 -3.69 0.03 -0.02 -1.26 -4.97 135.00 123.17 1dkx n PRO 470 Ca -0.46 0.53 -0.38 0.00 -2.02 0.00 0.00 63.50 61.17 1dkx n PRO 470 Cb 0.98 -2.34 -0.11 0.00 -0.02 0.00 0.00 33.50 32.01 1dkx n PRO 470 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1dkx s GLN 471 N -2.61 2.34 -0.44 -0.52 -0.21 -1.26 -4.24 119.66 112.72 1dkx s GLN 471 Ca 0.70 -1.62 -0.09 0.00 0.02 0.00 0.00 55.36 54.36 1dkx s GLN 471 Cb -0.45 -3.67 0.09 0.00 1.00 0.00 0.00 33.01 29.98 1dkx s GLN 471 CO 0.51 -1.00 0.29 0.42 -2.12 0.00 0.00 175.29 173.38 1dkx s ILE 472 N 1.29 4.23 -0.25 1.08 -1.09 -0.24 0.04 121.20 126.26 1dkx s ILE 472 Ca 0.04 -1.52 -0.24 0.00 -2.23 0.00 0.00 60.65 56.70 1dkx s ILE 472 Cb -0.23 -3.65 -0.00 0.00 -1.58 0.00 0.00 42.46 36.99 1dkx s ILE 472 CO -0.01 -0.59 0.83 -0.70 -1.23 0.00 0.00 174.94 173.23 1dkx s GLU 473 N 1.41 4.16 -0.21 2.79 2.12 0.66 -0.48 118.70 129.14 1dkx s GLU 473 Ca 0.04 0.90 -0.07 0.00 0.36 0.00 0.00 54.97 56.20 1dkx s GLU 473 Cb -0.24 -3.66 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 1dkx s GLU 473 CO 0.01 -0.54 0.06 0.08 -0.54 0.00 0.00 175.26 174.33 1dkx s VAL 474 N 2.87 4.50 -0.11 3.70 1.01 0.04 -0.41 120.40 132.00 1dkx s VAL 474 Ca 0.35 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1dkx s VAL 474 Cb -0.15 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1dkx s VAL 474 CO 0.08 0.40 -0.22 -0.89 0.00 0.00 0.00 175.10 174.47 1dkx s THR 475 N 0.95 1.95 -0.21 3.92 2.01 0.13 -1.51 115.64 122.89 1dkx s THR 475 Ca 0.04 -0.94 -0.06 0.00 0.31 0.00 0.00 61.69 61.03 1dkx s THR 475 Cb -0.14 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 1dkx s THR 475 CO 0.03 0.53 0.03 -0.36 -0.69 0.00 0.00 174.62 174.16 1dkx s PHE 476 N 0.55 3.08 -0.12 4.92 0.40 0.13 -1.50 117.98 125.45 1dkx s PHE 476 Ca -0.14 -0.35 -0.02 0.00 -0.60 0.00 0.00 56.93 55.81 1dkx s PHE 476 Cb -0.17 -2.12 0.04 0.00 0.51 0.00 0.00 43.02 41.28 1dkx s PHE 476 CO 0.05 -0.20 0.02 0.34 0.70 0.00 0.00 175.22 176.13 1dkx s ASP 477 N 1.03 2.05 -0.29 1.36 2.15 -0.33 -0.88 116.67 121.76 1dkx s ASP 477 Ca 0.03 -0.35 -0.07 0.00 0.43 0.00 0.00 52.55 52.59 1dkx s ASP 477 Cb -0.14 -0.46 0.00 0.00 -0.30 0.00 0.00 42.92 42.02 1dkx s ASP 477 CO 0.02 -0.24 0.09 -0.63 -0.17 0.00 0.00 175.17 174.24 1dkx s ILE 478 N 1.96 4.05 0.94 4.11 1.01 0.27 0.08 121.20 133.62 1dkx s ILE 478 Ca 0.03 -0.62 -0.16 0.00 0.00 0.00 0.00 60.65 59.90 1dkx s ILE 478 Cb -0.14 -3.07 0.22 0.00 0.01 0.00 0.00 42.46 39.48 1dkx s ILE 478 CO -0.06 0.10 1.28 -0.90 0.00 0.00 0.00 174.94 175.36 1dkx n ASP 479 N 4.88 0.15 0.04 3.58 5.68 -0.73 -1.50 116.55 128.65 1dkx n ASP 479 Ca -0.15 -1.49 0.19 0.00 -0.50 0.00 0.00 54.79 52.84 1dkx n ASP 479 Cb 0.48 -0.98 0.71 0.00 -1.14 0.00 0.00 41.12 40.19 1dkx n ASP 479 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1dkx h ALA 480 N -1.75 2.39 -0.01 2.12 0.00 -1.93 0.20 119.26 120.28 1dkx h ALA 480 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1dkx h ALA 480 Cb 1.16 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1dkx h ALA 480 CO 0.30 -0.60 -0.00 -0.25 0.00 0.00 0.00 179.25 178.70 1dkx n ASP 481 N -4.28 0.67 -0.07 0.00 8.00 -1.26 -4.89 116.55 114.72 1dkx n ASP 481 Ca 0.08 -1.20 -0.01 0.00 0.71 0.00 0.00 54.79 54.37 1dkx n ASP 481 Cb 0.56 -0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1dkx n ASP 481 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dkx n GLY 482 N 1.09 0.49 3.72 0.44 0.00 0.06 -4.73 105.19 106.25 1dkx n GLY 482 Ca 0.21 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 1dkx n GLY 482 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dkx s ILE 483 N -1.99 5.08 -0.22 -0.61 1.01 -1.26 -3.59 121.20 119.62 1dkx s ILE 483 Ca 0.00 1.28 -0.15 0.00 0.00 0.00 0.00 60.65 61.78 1dkx s ILE 483 Cb 0.00 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1dkx s ILE 483 CO 0.00 0.29 0.36 -0.22 0.00 0.00 0.00 174.94 175.37 1dkx s LEU 484 N 0.68 4.12 -0.28 2.97 2.96 -0.67 -1.77 118.68 126.70 1dkx s LEU 484 Ca 0.34 0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 54.61 1dkx s LEU 484 Cb -0.17 -2.44 0.02 0.00 0.50 0.00 0.00 46.19 44.10 1dkx s LEU 484 CO 0.16 -0.08 0.02 -1.00 -1.32 0.00 0.00 176.35 174.12 1dkx s HIS 485 N 1.46 3.12 -0.19 5.38 3.76 0.11 -0.79 115.29 128.14 1dkx s HIS 485 Ca 0.17 -1.23 -0.04 0.00 -0.15 0.00 0.00 55.06 53.81 1dkx s HIS 485 Cb -0.15 -2.17 -0.02 0.00 1.11 0.00 0.00 32.58 31.35 1dkx s HIS 485 CO 0.08 -0.64 -0.02 0.08 -0.85 0.00 0.00 174.74 173.39 1dkx s VAL 486 N 1.42 3.85 0.04 -0.90 1.01 -0.22 -1.18 120.40 124.42 1dkx s VAL 486 Ca 0.01 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.71 1dkx s VAL 486 Cb -0.17 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1dkx s VAL 486 CO -0.00 0.45 -0.18 -0.94 0.00 0.00 0.00 175.10 174.42 1dkx s SER 487 N 0.86 2.20 -0.12 3.32 1.04 -0.56 -0.68 113.70 119.76 1dkx s SER 487 Ca 0.00 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 55.94 1dkx s SER 487 Cb -0.14 -0.17 0.02 0.00 0.10 0.00 0.00 66.02 65.82 1dkx s SER 487 CO 0.02 0.12 -0.13 0.00 0.98 0.00 0.00 173.24 174.22 1dkx s ALA 488 N -0.81 1.62 -0.10 5.32 0.00 -0.30 -0.69 121.76 126.80 1dkx s ALA 488 Ca 0.06 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1dkx s ALA 488 Cb -0.08 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.16 1dkx s ALA 488 CO 0.02 -0.21 -0.15 0.21 0.00 0.00 0.00 175.76 175.62 1dkx s LYS 489 N 1.24 2.17 -0.27 0.00 2.20 0.45 -1.65 119.74 123.88 1dkx s LYS 489 Ca -0.02 -0.56 -0.29 0.00 -0.36 0.00 0.00 55.97 54.75 1dkx s LYS 489 Cb -0.14 -1.81 0.01 0.00 -1.51 0.00 0.00 37.83 34.38 1dkx s LYS 489 CO -0.05 -0.02 1.05 0.34 -0.36 0.00 0.00 175.35 176.32 1dkx s ASP 490 N 0.85 7.02 0.36 1.43 -1.08 -0.08 -0.25 116.67 124.92 1dkx s ASP 490 Ca -0.10 1.22 0.27 0.00 -0.52 0.00 0.00 52.55 53.42 1dkx s ASP 490 Cb -0.15 -2.54 1.08 0.00 -1.46 0.00 0.00 42.92 39.85 1dkx s ASP 490 CO 0.01 -0.77 1.81 0.11 0.52 0.00 0.00 175.17 176.85 1dkx h LYS 491 N 7.76 0.00 0.02 4.34 1.57 -0.71 0.52 116.57 130.06 1dkx h LYS 491 Ca -0.20 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1dkx h LYS 491 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1dkx h LYS 491 CO 1.00 0.00 -0.01 -0.97 -0.57 0.00 0.00 179.45 178.90 1dkx h ASN 492 N 0.00 -0.02 0.93 0.86 -1.24 -1.92 -3.39 115.58 110.80 1dkx h ASN 492 Ca 0.00 -0.40 -0.16 0.00 0.71 0.00 0.00 56.30 56.45 1dkx h ASN 492 Cb 0.46 0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.49 1dkx h ASN 492 CO 0.00 0.67 -1.15 0.77 -1.29 0.00 0.00 177.43 176.43 1dkx h SER 493 N -0.99 0.00 0.00 1.15 4.64 -1.93 -3.47 113.55 112.94 1dkx h SER 493 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dkx h SER 493 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1dkx h SER 493 CO 0.00 0.62 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 1dkx n GLY 494 N 1.36 0.72 3.77 -0.77 0.00 0.18 -5.01 105.19 105.43 1dkx n GLY 494 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1dkx n GLY 494 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dkx s LYS 495 N -0.17 4.13 -0.07 1.61 2.20 -1.23 -4.77 119.74 121.44 1dkx s LYS 495 Ca 0.00 1.96 -0.07 0.00 -0.36 0.00 0.00 55.97 57.50 1dkx s LYS 495 Cb 0.00 -2.80 0.02 0.00 -1.51 0.00 0.00 37.83 33.54 1dkx s LYS 495 CO 0.00 -0.29 0.20 -2.00 -0.36 0.00 0.00 175.35 172.89 1dkx s GLU 496 N -2.14 0.26 0.02 4.03 2.12 -1.26 -0.90 118.70 120.83 1dkx s GLU 496 Ca 0.55 0.22 0.05 0.00 0.36 0.00 0.00 54.97 56.14 1dkx s GLU 496 Cb -0.34 0.12 -0.02 0.00 0.26 0.00 0.00 34.13 34.16 1dkx s GLU 496 CO 0.43 -0.04 -0.15 -0.65 -0.54 0.00 0.00 175.26 174.32 1dkx s GLN 497 N -0.03 1.03 0.10 4.30 -1.52 -0.66 -4.99 119.66 117.89 1dkx s GLN 497 Ca -0.01 -0.69 0.03 0.00 -1.95 0.00 0.00 55.36 52.74 1dkx s GLN 497 Cb -0.02 -1.04 -0.04 0.00 -0.22 0.00 0.00 33.01 31.70 1dkx s GLN 497 CO 0.00 0.27 -0.10 0.15 -0.25 0.00 0.00 175.29 175.36 1dkx s LYS 498 N -0.88 0.84 -0.03 2.91 1.02 -1.26 -1.15 119.74 121.19 1dkx s LYS 498 Ca 0.03 -1.17 0.01 0.00 0.02 0.00 0.00 55.97 54.87 1dkx s LYS 498 Cb -0.07 -0.49 0.02 0.00 -0.52 0.00 0.00 37.83 36.77 1dkx s LYS 498 CO 0.01 0.07 -0.04 -1.50 -0.92 0.00 0.00 175.35 172.97 1dkx s ILE 499 N -2.55 0.45 -0.13 2.17 2.07 0.15 -5.01 121.20 118.35 1dkx s ILE 499 Ca 0.06 -0.11 -0.03 0.00 -1.41 0.00 0.00 60.65 59.16 1dkx s ILE 499 Cb -0.02 -0.47 -0.03 0.00 0.13 0.00 0.00 42.46 42.07 1dkx s ILE 499 CO -0.00 0.19 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.29 1dkx s THR 500 N 0.72 3.91 -0.18 4.00 2.01 -1.26 -1.06 115.64 123.77 1dkx s THR 500 Ca -0.09 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.55 1dkx s THR 500 Cb -0.12 -2.68 0.03 0.00 0.01 0.00 0.00 72.50 69.74 1dkx s THR 500 CO -0.00 0.53 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.67 1dkx s ILE 501 N -0.04 1.88 0.61 1.82 1.01 0.03 -5.02 121.20 121.50 1dkx s ILE 501 Ca 0.01 -0.95 -0.19 0.00 0.00 0.00 0.00 60.65 59.53 1dkx s ILE 501 Cb -0.13 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 1dkx s ILE 501 CO 0.03 0.40 1.09 0.29 0.00 0.00 0.00 174.94 176.75 1dkx n LYS 502 N 4.65 1.03 0.34 2.79 5.02 -1.26 -1.67 118.16 129.06 1dkx n LYS 502 Ca -0.18 0.40 0.23 0.00 -2.02 0.00 0.00 58.31 56.73 1dkx n LYS 502 Cb 0.49 -2.30 1.22 0.00 -0.02 0.00 0.00 35.03 34.41 1dkx n LYS 502 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1dkx h ALA 503 N 0.59 1.01 -0.00 7.82 0.00 -1.85 -0.19 119.26 126.64 1dkx h ALA 503 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1dkx h ALA 503 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1dkx h ALA 503 CO 0.52 -0.00 -0.41 -1.13 0.00 0.00 0.00 179.25 178.23 1dkx n SER 504 N -3.09 0.84 -4.82 0.00 3.41 -1.26 -4.93 113.62 103.77 1dkx n SER 504 Ca -0.03 -0.64 -0.31 0.00 -0.26 0.00 0.00 58.87 57.62 1dkx n SER 504 Cb 0.07 0.24 0.03 0.00 -0.26 0.00 0.00 64.21 64.30 1dkx n SER 504 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1dkx s SER 505 N -2.74 5.62 0.00 4.04 0.01 -0.08 -4.89 113.70 115.65 1dkx s SER 505 Ca 0.17 1.63 0.00 0.00 1.31 0.00 0.00 55.95 59.07 1dkx s SER 505 Cb 0.18 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1dkx s SER 505 CO 0.62 -1.28 0.00 0.61 0.41 0.00 0.00 173.24 173.60 1dkx n GLY 506 N -1.86 -0.17 3.83 3.44 0.00 -1.26 -4.99 105.19 104.18 1dkx n GLY 506 Ca 0.08 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 1dkx n GLY 506 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dkx s LEU 507 N 0.00 4.49 0.74 0.99 1.43 -1.26 -5.09 118.68 119.97 1dkx s LEU 507 Ca 0.00 1.04 -0.10 0.00 -1.03 0.00 0.00 54.13 54.03 1dkx s LEU 507 Cb 0.00 -2.66 0.05 0.00 0.03 0.00 0.00 46.19 43.61 1dkx s LEU 507 CO 0.00 0.31 1.10 0.54 0.23 0.00 0.00 176.35 178.53 1dkx s ASN 508 N -1.06 4.95 0.44 2.29 2.20 -1.26 -4.65 114.94 117.85 1dkx s ASN 508 Ca 0.25 0.83 0.29 0.00 -0.94 0.00 0.00 52.86 53.28 1dkx s ASN 508 Cb -0.17 -1.49 1.37 0.00 -2.00 0.00 0.00 41.25 38.96 1dkx s ASN 508 CO 0.15 -1.60 1.67 -0.33 -2.94 0.00 0.00 177.10 174.05 1dkx h GLU 509 N -0.77 0.15 -0.03 3.55 5.08 -1.98 0.27 114.58 120.83 1dkx h GLU 509 Ca -0.45 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 57.79 1dkx h GLU 509 Cb 1.30 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.52 1dkx h GLU 509 CO 0.64 0.10 -0.39 -0.44 -1.00 0.00 0.00 179.01 177.92 1dkx h ASP 510 N 0.15 0.40 -0.76 1.42 3.32 -1.99 -2.11 116.42 116.85 1dkx h ASP 510 Ca 0.75 -0.71 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1dkx h ASP 510 Cb 2.34 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 41.74 1dkx h ASP 510 CO -0.34 1.05 0.46 -0.33 -1.72 0.00 0.00 179.24 178.36 1dkx h GLU 511 N -0.22 1.05 -0.64 3.56 5.08 -1.27 0.13 114.58 122.27 1dkx h GLU 511 Ca -0.04 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1dkx h GLU 511 Cb 1.08 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 1dkx h GLU 511 CO 0.08 0.74 0.32 0.82 -1.00 0.00 0.00 179.01 179.97 1dkx h ILE 512 N 1.07 1.22 0.09 3.13 2.04 -0.57 0.10 117.51 124.59 1dkx h ILE 512 Ca 0.28 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1dkx h ILE 512 Cb -0.03 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1dkx h ILE 512 CO -0.05 0.25 -0.04 1.56 0.00 0.00 0.00 178.15 179.86 1dkx h GLN 513 N 0.88 -0.12 -0.89 2.37 4.20 -0.53 -1.23 115.11 119.78 1dkx h GLN 513 Ca 0.22 0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.00 1dkx h GLN 513 Cb 0.10 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.84 1dkx h GLN 513 CO -0.03 0.01 0.56 -0.22 -0.67 0.00 0.00 178.83 178.48 1dkx h LYS 514 N -0.22 0.99 0.26 1.46 3.64 -0.49 -2.26 116.57 119.94 1dkx h LYS 514 Ca -0.01 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1dkx h LYS 514 Cb 0.18 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1dkx h LYS 514 CO 0.02 0.66 -0.12 1.98 -2.27 0.00 0.00 179.45 179.71 1dkx h MET 515 N 1.02 -0.33 -0.24 1.90 4.05 -0.39 0.23 114.93 121.16 1dkx h MET 515 Ca 0.39 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.85 1dkx h MET 515 Cb 0.17 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 1dkx h MET 515 CO -0.17 -0.21 0.16 0.28 0.23 0.00 0.00 176.91 177.19 1dkx h VAL 516 N -0.36 1.01 0.10 -5.77 2.07 -1.07 -1.63 116.25 110.61 1dkx h VAL 516 Ca -0.04 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1dkx h VAL 516 Cb 0.27 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1dkx h VAL 516 CO 0.06 0.04 -0.05 0.03 0.02 0.00 0.00 177.57 177.67 1dkx h ARG 517 N 0.24 -0.14 -0.87 1.57 3.08 -0.81 -2.98 114.38 114.47 1dkx h ARG 517 Ca 0.10 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.30 1dkx h ARG 517 Cb 0.09 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.08 1dkx h ARG 517 CO -0.02 0.34 0.48 -0.44 -1.07 0.00 0.00 179.97 179.26 1dkx h ASP 518 N -0.71 0.61 -0.26 7.04 5.19 -0.24 0.13 116.42 128.18 1dkx h ASP 518 Ca -0.01 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1dkx h ASP 518 Cb 0.54 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 1dkx h ASP 518 CO 0.02 0.28 0.12 0.00 -3.12 0.00 0.00 179.24 176.54 1dkx h ALA 519 N 1.55 0.33 -0.47 3.45 0.00 -1.35 0.90 119.26 123.66 1dkx h ALA 519 Ca 0.47 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 1dkx h ALA 519 Cb 0.61 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1dkx h ALA 519 CO -0.34 -0.10 -0.19 0.93 0.00 0.00 0.00 179.25 179.55 1dkx h GLU 520 N 0.28 0.94 0.00 0.00 5.08 -1.25 -0.34 114.58 119.29 1dkx h GLU 520 Ca 0.09 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 1dkx h GLU 520 Cb 0.12 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1dkx h GLU 520 CO -0.01 1.04 -0.12 0.00 -1.00 0.00 0.00 179.01 178.92 1dkx h ALA 521 N 0.95 1.49 0.00 3.43 0.00 -0.46 -3.07 119.26 121.61 1dkx h ALA 521 Ca 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dkx h ALA 521 Cb 0.75 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1dkx h ALA 521 CO 0.06 0.15 -0.37 0.09 0.00 0.00 0.00 179.25 179.18 1dkx n ASN 522 N -3.95 1.86 -0.23 0.00 3.02 0.28 -4.78 115.26 111.47 1dkx n ASN 522 Ca -0.02 -3.66 0.06 0.00 -0.03 0.00 0.00 54.58 50.93 1dkx n ASN 522 Cb 0.21 -0.50 0.32 0.00 -0.61 0.00 0.00 39.78 39.20 1dkx n ASN 522 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dkx h ALA 523 N 0.73 1.65 0.19 5.41 0.00 -0.97 -1.12 119.26 125.15 1dkx h ALA 523 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1dkx h ALA 523 Cb 1.01 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1dkx h ALA 523 CO 0.00 0.22 -0.09 0.93 0.00 0.00 0.00 179.25 180.31 1dkx h GLU 524 N 0.84 -0.25 -0.91 0.00 5.08 -1.86 -1.78 114.58 115.70 1dkx h GLU 524 Ca 0.35 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.84 1dkx h GLU 524 Cb 0.28 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 1dkx h GLU 524 CO -0.13 0.15 0.58 0.00 -1.00 0.00 0.00 179.01 178.62 1dkx h ALA 525 N -0.14 1.67 -0.09 3.43 0.00 -1.86 0.01 119.26 122.29 1dkx h ALA 525 Ca -0.03 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1dkx h ALA 525 Cb 0.51 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1dkx h ALA 525 CO 0.04 0.12 -0.51 -0.44 0.00 0.00 0.00 179.25 178.46 1dkx h ASP 526 N 0.85 0.25 -0.48 0.00 5.19 -1.18 -1.38 116.42 119.67 1dkx h ASP 526 Ca 0.43 -0.13 -0.11 0.00 -0.62 0.00 0.00 57.03 56.61 1dkx h ASP 526 Cb 0.51 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.93 1dkx h ASP 526 CO -0.20 0.72 -0.10 -0.09 -3.12 0.00 0.00 179.24 176.46 1dkx h ARG 527 N 0.18 0.95 -0.12 3.56 2.43 -0.13 0.40 114.38 121.65 1dkx h ARG 527 Ca 0.01 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 1dkx h ARG 527 Cb 0.97 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1dkx h ARG 527 CO 0.08 1.00 0.03 0.87 -1.51 0.00 0.00 179.97 180.44 1dkx h LYS 528 N 0.85 0.19 -0.91 0.20 1.57 -0.82 -1.49 116.57 116.16 1dkx h LYS 528 Ca 0.14 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1dkx h LYS 528 Cb 0.64 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.86 1dkx h LYS 528 CO 0.04 0.35 0.59 0.35 -0.57 0.00 0.00 179.45 180.20 1dkx h PHE 529 N 0.00 1.10 -0.40 -1.35 3.57 -1.12 -0.96 116.94 117.78 1dkx h PHE 529 Ca 0.04 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.60 1dkx h PHE 529 Cb 0.24 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 1dkx h PHE 529 CO 0.00 0.62 0.17 0.22 -2.23 0.00 0.00 178.31 177.09 1dkx h ASP 530 N 1.12 0.23 0.43 0.41 3.58 -0.58 -1.46 116.42 120.15 1dkx h ASP 530 Ca 0.37 0.03 -0.16 0.00 0.42 0.00 0.00 57.03 57.69 1dkx h ASP 530 Cb 0.04 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1dkx h ASP 530 CO -0.13 0.17 -0.66 1.05 -2.88 0.00 0.00 179.24 176.79 1dkx h GLU 531 N 0.36 0.21 -0.12 0.28 4.11 -0.63 -2.42 114.58 116.37 1dkx h GLU 531 Ca 0.17 -0.16 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 1dkx h GLU 531 Cb 0.11 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1dkx h GLU 531 CO -0.15 0.80 0.05 1.25 0.07 0.00 0.00 179.01 181.03 1dkx h LEU 532 N 0.15 0.16 -0.61 3.06 5.85 -0.79 -1.04 115.31 122.09 1dkx h LEU 532 Ca -0.01 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1dkx h LEU 532 Cb 1.19 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 1dkx h LEU 532 CO 0.10 0.27 0.39 0.58 -0.34 0.00 0.00 178.44 179.45 1dkx h VAL 533 N 0.03 1.13 -1.00 1.05 2.07 -1.26 0.31 116.25 118.58 1dkx h VAL 533 Ca 0.04 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.34 1dkx h VAL 533 Cb 0.16 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.13 1dkx h VAL 533 CO -0.00 0.15 0.65 -0.61 0.02 0.00 0.00 177.57 177.77 1dkx h GLN 534 N 0.80 1.18 -0.06 1.57 5.75 -1.22 0.19 115.11 123.32 1dkx h GLN 534 Ca 0.23 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.64 1dkx h GLN 534 Cb -0.06 -0.27 -0.00 0.00 1.07 0.00 0.00 27.48 28.22 1dkx h GLN 534 CO -0.07 0.78 -0.03 1.15 -2.65 0.00 0.00 178.83 178.01 1dkx h THR 535 N 1.22 1.33 -0.19 2.39 2.02 -0.08 -1.76 112.91 117.85 1dkx h THR 535 Ca 0.42 -1.06 0.04 0.00 0.77 0.00 0.00 66.41 66.58 1dkx h THR 535 Cb 0.10 1.91 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 1dkx h THR 535 CO -0.15 0.29 -0.04 0.03 0.37 0.00 0.00 175.52 176.02 1dkx h ARG 536 N -0.26 0.01 -0.82 6.66 3.08 -0.01 0.44 114.38 123.48 1dkx h ARG 536 Ca 0.01 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1dkx h ARG 536 Cb 0.48 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 1dkx h ARG 536 CO 0.01 0.01 0.54 -0.91 -1.07 0.00 0.00 179.97 178.55 1dkx h ASN 537 N 0.01 0.94 -0.36 7.04 2.35 -0.62 0.66 115.58 125.60 1dkx h ASN 537 Ca 0.09 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.66 1dkx h ASN 537 Cb 0.13 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 1dkx h ASN 537 CO -0.18 0.67 -0.39 1.56 -1.65 0.00 0.00 177.43 177.44 1dkx h GLN 538 N 1.10 0.90 -0.18 0.81 4.20 -0.83 -1.79 115.11 119.33 1dkx h GLN 538 Ca 0.30 -0.49 -0.10 0.00 0.06 0.00 0.00 58.65 58.43 1dkx h GLN 538 Cb -0.11 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1dkx h GLN 538 CO -0.07 1.14 -0.31 0.78 -0.67 0.00 0.00 178.83 179.70 1dkx h GLY 539 N 0.71 0.40 1.44 3.46 0.00 -0.39 -1.55 103.07 107.13 1dkx h GLY 539 Ca 0.05 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 46.90 1dkx h GLY 539 CO 0.10 0.31 -0.40 -1.80 0.00 0.00 0.00 176.54 174.75 1dkx h ASP 540 N 0.32 0.66 -0.52 0.19 3.58 -0.69 -0.30 116.42 119.67 1dkx h ASP 540 Ca 0.04 -0.29 -0.12 0.00 0.42 0.00 0.00 57.03 57.08 1dkx h ASP 540 Cb 0.72 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 1dkx h ASP 540 CO 0.05 0.98 -0.14 -0.74 -2.88 0.00 0.00 179.24 176.52 1dkx h HIS 541 N 0.51 1.14 -0.28 0.28 2.76 -1.04 -1.13 115.15 117.40 1dkx h HIS 541 Ca 0.04 -0.25 -0.04 0.00 -2.20 0.00 0.00 60.37 57.93 1dkx h HIS 541 Cb 0.92 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 1dkx h HIS 541 CO 0.04 1.07 0.03 1.25 -1.30 0.00 0.00 177.93 179.03 1dkx h LEU 542 N 0.90 0.45 0.11 0.26 5.85 -1.06 0.45 115.31 122.26 1dkx h LEU 542 Ca 0.13 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1dkx h LEU 542 Cb 0.71 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1dkx h LEU 542 CO 0.05 0.61 -0.05 0.25 -0.34 0.00 0.00 178.44 178.96 1dkx h LEU 543 N 0.27 -0.13 0.00 2.25 5.85 -0.95 -1.06 115.31 121.55 1dkx h LEU 543 Ca 0.08 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1dkx h LEU 543 Cb 0.36 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1dkx h LEU 543 CO 0.01 -0.05 -0.00 -0.74 -0.34 0.00 0.00 178.44 177.32 1dkx h HIS 544 N -0.20 -0.01 0.10 1.25 2.76 -1.15 -2.32 115.15 115.60 1dkx h HIS 544 Ca -0.02 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1dkx h HIS 544 Cb 0.16 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.12 1dkx h HIS 544 CO -0.06 0.07 -0.05 0.77 -1.30 0.00 0.00 177.93 177.36 1dkx h SER 545 N -0.08 -0.12 -0.54 3.26 0.02 -0.91 -2.72 113.55 112.46 1dkx h SER 545 Ca -0.00 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.01 1dkx h SER 545 Cb 0.08 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.59 1dkx h SER 545 CO 0.00 -0.07 0.23 0.74 -1.14 0.00 0.00 176.83 176.59 1dkx h THR 546 N -0.15 0.86 -0.80 -2.27 2.02 -1.18 -0.31 112.91 111.09 1dkx h THR 546 Ca -0.01 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 67.05 1dkx h THR 546 Cb 0.11 0.39 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 1dkx h THR 546 CO 0.02 0.08 0.50 0.03 0.37 0.00 0.00 175.52 176.53 1dkx h ARG 547 N 0.44 0.94 -0.44 6.66 3.08 -1.29 0.43 114.38 124.20 1dkx h ARG 547 Ca 0.26 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 1dkx h ARG 547 Cb 0.25 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1dkx h ARG 547 CO -0.23 0.62 0.09 0.87 -1.07 0.00 0.00 179.97 180.25 1dkx h LYS 548 N 0.97 0.72 -0.53 0.04 1.57 -1.05 -2.28 116.57 116.01 1dkx h LYS 548 Ca 0.32 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1dkx h LYS 548 Cb 0.04 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1dkx h LYS 548 CO -0.12 0.74 0.14 1.96 -0.57 0.00 0.00 179.45 181.59 1dkx h GLN 549 N 0.58 0.81 -0.43 3.15 4.20 -0.41 0.30 115.11 123.31 1dkx h GLN 549 Ca 0.14 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1dkx h GLN 549 Cb 0.35 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1dkx h GLN 549 CO 0.01 0.72 0.15 0.28 -0.67 0.00 0.00 178.83 179.32 1dkx h VAL 550 N 0.78 1.21 0.43 -0.54 2.07 -0.66 0.81 116.25 120.37 1dkx h VAL 550 Ca 0.17 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1dkx h VAL 550 Cb 0.28 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1dkx h VAL 550 CO -0.00 0.25 -0.21 -0.33 0.02 0.00 0.00 177.57 177.30 1dkx h GLU 551 N 0.56 -0.56 -0.48 1.57 5.08 -0.93 -0.26 114.58 119.57 1dkx h GLU 551 Ca 0.14 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.63 1dkx h GLU 551 Cb 0.24 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1dkx h GLU 551 CO -0.01 -0.35 0.33 0.93 -1.00 0.00 0.00 179.01 178.91 1dkx h GLU 552 N -0.62 0.23 -0.01 2.33 5.08 -0.81 -2.71 114.58 118.07 1dkx h GLU 552 Ca -0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1dkx h GLU 552 Cb 0.47 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1dkx h GLU 552 CO 0.10 0.15 -0.03 0.00 -1.00 0.00 0.00 179.01 178.23 1dkx h ALA 553 N 1.76 0.01 -0.67 3.43 0.00 -0.34 -3.48 119.26 119.97 1dkx h ALA 553 Ca 0.22 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1dkx h ALA 553 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1dkx h ALA 553 CO -0.04 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.49 1dkx n GLY 554 N 0.76 3.35 0.39 0.00 0.00 -0.15 -1.90 105.19 107.64 1dkx n GLY 554 Ca -0.09 -0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.14 1dkx n GLY 554 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dkx h ASP 555 N 0.00 0.00 -0.00 1.61 3.32 -1.91 -1.59 116.42 117.85 1dkx h ASP 555 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1dkx h ASP 555 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1dkx h ASP 555 CO 0.00 0.00 0.00 0.11 -1.72 0.00 0.00 179.24 177.63 1dkx h LYS 556 N 0.00 0.00 -5.77 3.56 1.57 -1.76 -3.41 116.57 110.76 1dkx h LYS 556 Ca 0.25 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.44 1dkx h LYS 556 Cb 1.11 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.33 1dkx h LYS 556 CO -0.00 0.00 0.30 -1.17 -0.57 0.00 0.00 179.45 178.01 1dkx s LEU 557 N -8.30 4.13 0.51 2.94 2.96 -0.60 -5.04 118.68 115.28 1dkx s LEU 557 Ca -0.05 0.98 -0.22 0.00 -0.22 0.00 0.00 54.13 54.62 1dkx s LEU 557 Cb 0.16 -3.07 -0.07 0.00 0.50 0.00 0.00 46.19 43.71 1dkx s LEU 557 CO 0.60 -0.39 1.16 -2.65 -1.32 0.00 0.00 176.35 173.75 1dkx n PRO 558 N 5.43 1.44 -0.31 0.98 -0.02 -1.26 -4.77 135.00 136.49 1dkx n PRO 558 Ca 0.02 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1dkx n PRO 558 Cb 0.49 -2.32 0.13 0.00 -0.02 0.00 0.00 33.50 31.78 1dkx n PRO 558 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dkx h ALA 559 N 1.31 1.17 -0.22 3.55 0.00 -1.96 -1.26 119.26 121.86 1dkx h ALA 559 Ca -0.48 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1dkx h ALA 559 Cb 1.33 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1dkx h ALA 559 CO 0.56 0.31 0.13 -0.44 0.00 0.00 0.00 179.25 179.81 1dkx h ASP 560 N 1.00 0.26 -0.03 0.00 3.32 -2.00 -2.06 116.42 116.91 1dkx h ASP 560 Ca 0.37 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 1dkx h ASP 560 Cb 0.13 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1dkx h ASP 560 CO -0.16 0.23 0.01 0.44 -1.72 0.00 0.00 179.24 178.04 1dkx h ASP 561 N 0.27 0.03 -0.70 6.45 5.19 -1.82 -2.20 116.42 123.63 1dkx h ASP 561 Ca 0.08 -0.11 0.04 0.00 -0.62 0.00 0.00 57.03 56.42 1dkx h ASP 561 Cb 0.02 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 39.48 1dkx h ASP 561 CO -0.01 0.13 0.46 0.50 -3.12 0.00 0.00 179.24 177.20 1dkx h LYS 562 N -0.07 0.80 -0.58 3.56 3.64 -1.19 -0.29 116.57 122.44 1dkx h LYS 562 Ca 0.01 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 1dkx h LYS 562 Cb 0.11 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1dkx h LYS 562 CO -0.00 0.53 -0.01 1.15 -2.27 0.00 0.00 179.45 178.84 1dkx h THR 563 N 0.82 1.27 -0.08 1.00 2.02 -1.11 -0.23 112.91 116.60 1dkx h THR 563 Ca 0.28 -1.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 1dkx h THR 563 Cb 0.10 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1dkx h THR 563 CO -0.08 0.42 -0.04 0.00 0.37 0.00 0.00 175.52 176.18 1dkx h ALA 564 N 0.97 0.11 -0.33 6.16 0.00 -0.71 -2.75 119.26 122.72 1dkx h ALA 564 Ca 0.16 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1dkx h ALA 564 Cb 0.57 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1dkx h ALA 564 CO 0.03 -0.12 0.11 0.82 0.00 0.00 0.00 179.25 180.10 1dkx h ILE 565 N -0.21 0.90 0.00 0.00 2.04 -1.02 -1.05 117.51 118.18 1dkx h ILE 565 Ca 0.02 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1dkx h ILE 565 Cb 0.50 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1dkx h ILE 565 CO 0.01 0.05 -0.20 -0.33 0.00 0.00 0.00 178.15 177.68 1dkx h GLU 566 N 0.25 0.00 0.04 2.37 5.08 -1.08 -0.39 114.58 120.85 1dkx h GLU 566 Ca 0.15 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.25 1dkx h GLU 566 Cb 0.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1dkx h GLU 566 CO -0.15 0.20 -1.07 0.77 -1.00 0.00 0.00 179.01 177.76 1dkx h SER 567 N 0.00 0.68 0.14 1.42 0.02 -1.11 -2.87 113.55 111.84 1dkx h SER 567 Ca -0.00 -0.58 -0.12 0.00 -0.84 0.00 0.00 61.79 60.24 1dkx h SER 567 Cb 0.60 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1dkx h SER 567 CO 0.03 1.39 -0.42 0.00 -1.14 0.00 0.00 176.83 176.69 1dkx h ALA 568 N 0.55 0.99 -0.26 3.77 0.00 -0.69 -2.35 119.26 121.27 1dkx h ALA 568 Ca -0.12 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.20 1dkx h ALA 568 Cb 1.72 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1dkx h ALA 568 CO 0.19 0.62 -0.45 -0.07 0.00 0.00 0.00 179.25 179.54 1dkx h LEU 569 N 0.30 0.73 -0.24 0.00 3.38 -1.11 -0.28 115.31 118.09 1dkx h LEU 569 Ca 0.02 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1dkx h LEU 569 Cb 0.87 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1dkx h LEU 569 CO 0.07 1.08 0.05 0.74 0.09 0.00 0.00 178.44 180.47 1dkx h THR 570 N 0.55 1.22 -0.24 0.22 2.02 -1.35 -0.29 112.91 115.03 1dkx h THR 570 Ca 0.03 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 1dkx h THR 570 Cb 1.00 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1dkx h THR 570 CO 0.09 0.23 0.14 0.00 0.37 0.00 0.00 175.52 176.35 1dkx h ALA 571 N 0.87 0.31 -0.60 6.16 0.00 -1.36 -1.43 119.26 123.21 1dkx h ALA 571 Ca 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1dkx h ALA 571 Cb 0.29 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1dkx h ALA 571 CO 0.00 -0.18 0.37 1.25 0.00 0.00 0.00 179.25 180.70 1dkx h LEU 572 N 0.29 0.61 -1.12 0.00 5.85 -0.93 -0.17 115.31 119.83 1dkx h LEU 572 Ca 0.09 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1dkx h LEU 572 Cb 0.04 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1dkx h LEU 572 CO -0.02 0.43 0.18 -0.08 -0.34 0.00 0.00 178.44 178.62 1dkx h GLU 573 N 0.74 0.80 -0.44 1.25 4.81 -0.77 -0.49 114.58 120.47 1dkx h GLU 573 Ca 0.24 -0.14 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 1dkx h GLU 573 Cb 0.00 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1dkx h GLU 573 CO -0.09 0.69 -0.27 1.15 -0.73 0.00 0.00 179.01 179.75 1dkx h THR 574 N 0.79 1.27 -0.59 0.32 2.02 -0.69 -3.15 112.91 112.88 1dkx h THR 574 Ca 0.18 -1.44 -0.03 0.00 0.77 0.00 0.00 66.41 65.89 1dkx h THR 574 Cb 0.21 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1dkx h THR 574 CO -0.01 0.49 0.24 0.00 0.37 0.00 0.00 175.52 176.61 1dkx h ALA 575 N 0.83 0.76 -0.01 6.16 0.00 -0.31 -2.07 119.26 124.62 1dkx h ALA 575 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1dkx h ALA 575 Cb 0.86 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1dkx h ALA 575 CO 0.08 0.36 0.01 -0.07 0.00 0.00 0.00 179.25 179.63 1dkx h LEU 576 N 0.81 0.00 0.00 0.00 3.38 -1.07 0.81 115.31 119.24 1dkx h LEU 576 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1dkx h LEU 576 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1dkx h LEU 576 CO -0.02 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.80 1dkx n LYS 577 N -3.38 0.40 -0.72 1.13 5.02 -0.78 -4.83 118.16 115.00 1dkx n LYS 577 Ca -0.03 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1dkx n LYS 577 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1dkx n LYS 577 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dkx n GLY 578 N 0.74 2.81 0.00 0.72 0.00 0.28 -5.06 105.19 104.68 1dkx n GLY 578 Ca 0.12 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1dkx n GLY 578 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dkx n GLU 579 N -0.45 -0.03 -2.86 1.61 -0.58 -1.26 -5.00 120.64 112.07 1dkx n GLU 579 Ca 0.00 -0.69 -0.43 0.00 -0.42 0.00 0.00 57.16 55.62 1dkx n GLU 579 Cb 0.00 -0.96 -0.04 0.00 -0.57 0.00 0.00 31.44 29.87 1dkx n GLU 579 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1dkx s ASP 580 N -0.22 6.33 0.21 1.62 -1.08 -1.26 -4.93 116.67 117.34 1dkx s ASP 580 Ca 0.00 -0.40 -0.09 0.00 -0.52 0.00 0.00 52.55 51.54 1dkx s ASP 580 Cb 0.00 -2.43 0.21 0.00 -1.46 0.00 0.00 42.92 39.24 1dkx s ASP 580 CO 0.00 -1.21 1.86 0.50 0.52 0.00 0.00 175.17 176.84 1dkx h LYS 581 N 9.29 0.91 -0.74 4.34 3.64 -1.94 -2.53 116.57 129.55 1dkx h LYS 581 Ca -0.26 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.04 1dkx h LYS 581 Cb 1.07 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 1dkx h LYS 581 CO 1.08 0.60 0.36 0.00 -2.27 0.00 0.00 179.45 179.23 1dkx h ALA 582 N 1.31 0.95 -0.45 5.00 0.00 -1.99 -1.65 119.26 122.44 1dkx h ALA 582 Ca 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1dkx h ALA 582 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1dkx h ALA 582 CO -0.11 0.50 0.19 0.00 0.00 0.00 0.00 179.25 179.83 1dkx h ALA 583 N 1.18 0.58 -0.46 0.00 0.00 -1.88 -0.45 119.26 118.23 1dkx h ALA 583 Ca 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1dkx h ALA 583 Cb 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1dkx h ALA 583 CO -0.03 0.18 0.23 0.82 0.00 0.00 0.00 179.25 180.44 1dkx h ILE 584 N 0.58 1.18 -0.01 0.00 2.04 -1.30 -1.84 117.51 118.16 1dkx h ILE 584 Ca 0.15 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 1dkx h ILE 584 Cb 0.18 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1dkx h ILE 584 CO -0.01 0.20 -0.26 -0.33 0.00 0.00 0.00 178.15 177.74 1dkx h GLU 585 N 0.60 0.01 -0.36 2.37 5.08 -1.07 -1.69 114.58 119.53 1dkx h GLU 585 Ca 0.16 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1dkx h GLU 585 Cb 0.10 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1dkx h GLU 585 CO -0.02 0.27 -0.07 0.00 -1.00 0.00 0.00 179.01 178.20 1dkx h ALA 586 N 1.73 0.49 -0.12 3.43 0.00 -0.48 -1.90 119.26 122.41 1dkx h ALA 586 Ca -0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1dkx h ALA 586 Cb 0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1dkx h ALA 586 CO 0.03 0.32 -0.45 0.87 0.00 0.00 0.00 179.25 180.03 1dkx h LYS 587 N 0.47 0.29 -0.47 0.00 1.79 -0.99 -1.46 116.57 116.21 1dkx h LYS 587 Ca 0.09 -0.15 -0.14 0.00 -2.18 0.00 0.00 60.65 58.28 1dkx h LYS 587 Cb 0.56 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 1dkx h LYS 587 CO 0.03 0.68 -0.24 0.52 -1.08 0.00 0.00 179.45 179.36 1dkx h MET 588 N 0.24 0.99 -0.47 3.15 2.86 -1.24 -1.92 114.93 118.53 1dkx h MET 588 Ca 0.02 -0.44 -0.03 0.00 -2.06 0.00 0.00 59.70 57.19 1dkx h MET 588 Cb 0.89 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.50 1dkx h MET 588 CO 0.07 1.11 0.17 0.37 1.06 0.00 0.00 176.91 179.69 1dkx h GLN 589 N 0.84 0.72 0.15 1.72 4.15 -1.12 -0.14 115.11 121.44 1dkx h GLN 589 Ca 0.10 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1dkx h GLN 589 Cb 0.82 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 1dkx h GLN 589 CO 0.07 0.67 -0.13 1.49 -1.93 0.00 0.00 178.83 179.00 1dkx h GLU 590 N 0.63 -0.30 -0.39 1.69 4.81 -1.15 -0.12 114.58 119.76 1dkx h GLU 590 Ca 0.16 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.47 1dkx h GLU 590 Cb 0.23 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 1dkx h GLU 590 CO -0.01 -0.20 0.06 1.25 -0.73 0.00 0.00 179.01 179.38 1dkx h LEU 591 N -0.31 -0.03 -1.13 1.64 5.85 -1.22 -1.66 115.31 118.45 1dkx h LEU 591 Ca -0.00 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1dkx h LEU 591 Cb 0.28 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1dkx h LEU 591 CO -0.02 0.02 0.59 0.00 -0.34 0.00 0.00 178.44 178.69 1dkx h ALA 592 N 1.30 1.45 0.00 1.25 0.00 -0.62 -0.16 119.26 122.49 1dkx h ALA 592 Ca 0.19 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1dkx h ALA 592 Cb 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1dkx h ALA 592 CO -0.26 0.44 -0.43 1.96 0.00 0.00 0.00 179.25 180.96 1dkx h GLN 593 N 1.10 0.00 -0.01 0.00 4.20 -0.14 -3.30 115.11 116.96 1dkx h GLN 593 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 1dkx h GLN 593 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1dkx h GLN 593 CO -0.12 0.43 -0.35 1.33 -0.67 0.00 0.00 178.83 179.45 1dkx n VAL 594 N -3.80 0.00 0.09 -0.54 0.24 -0.75 -4.56 118.33 109.01 1dkx n VAL 594 Ca -0.01 -0.33 0.10 0.00 -2.04 0.00 0.00 64.34 62.06 1dkx n VAL 594 Cb 0.49 1.17 0.27 0.00 -1.47 0.00 0.00 33.84 34.30 1dkx n VAL 594 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1dkx n SER 595 N -0.22 3.26 -0.05 -1.34 7.64 -0.13 -4.56 113.62 118.23 1dkx n SER 595 Ca 0.06 -1.99 0.13 0.00 1.01 0.00 0.00 58.87 58.08 1dkx n SER 595 Cb 0.32 -0.39 0.53 0.00 -1.01 0.00 0.00 64.21 63.66 1dkx n SER 595 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1dkx h GLN 596 N 3.62 0.33 -0.00 1.43 4.15 -1.80 -0.02 115.11 122.81 1dkx h GLN 596 Ca 0.00 -0.02 -0.15 0.00 0.77 0.00 0.00 58.65 59.25 1dkx h GLN 596 Cb 0.83 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 28.45 1dkx h GLN 596 CO 0.00 0.22 -0.57 -0.22 -1.93 0.00 0.00 178.83 176.33 1dkx h LYS 597 N 0.34 0.39 -0.78 1.69 1.63 -1.97 -2.86 116.57 115.01 1dkx h LYS 597 Ca 0.25 -0.41 0.07 0.00 -0.85 0.00 0.00 60.65 59.71 1dkx h LYS 597 Cb 0.56 0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 32.24 1dkx h LYS 597 CO -0.06 1.09 0.46 1.25 -3.45 0.00 0.00 179.45 178.73 1dkx h LEU 598 N -0.15 0.69 -0.84 5.20 6.46 -1.74 -1.74 115.31 123.18 1dkx h LEU 598 Ca -0.07 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1dkx h LEU 598 Cb 1.29 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 41.06 1dkx h LEU 598 CO 0.11 0.43 0.55 0.24 -0.62 0.00 0.00 178.44 179.16 1dkx h MET 599 N 0.82 1.08 -0.26 1.25 2.86 -1.01 0.60 114.93 120.27 1dkx h MET 599 Ca 0.35 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.89 1dkx h MET 599 Cb 0.22 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1dkx h MET 599 CO -0.19 0.71 0.03 1.49 1.06 0.00 0.00 176.91 180.01 1dkx h GLU 600 N 1.11 0.44 0.89 1.72 4.81 -1.13 -1.18 114.58 121.25 1dkx h GLU 600 Ca 0.32 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1dkx h GLU 600 Cb -0.08 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1dkx h GLU 600 CO -0.08 0.58 -0.48 0.82 -0.73 0.00 0.00 179.01 179.11 1dkx h ILE 601 N 0.24 0.00 -0.92 2.32 2.04 -1.03 0.14 117.51 120.30 1dkx h ILE 601 Ca 0.08 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.15 1dkx h ILE 601 Cb 0.36 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.32 1dkx h ILE 601 CO 0.01 0.00 0.46 0.00 0.00 0.00 0.00 178.15 178.62 1dkx h ALA 602 N -1.29 1.51 -0.13 1.87 0.00 -0.91 0.38 119.26 120.69 1dkx h ALA 602 Ca -0.12 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1dkx h ALA 602 Cb 0.99 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1dkx h ALA 602 CO 0.16 -0.26 0.01 0.37 0.00 0.00 0.00 179.25 179.53 1dkx h GLN 603 N 0.51 0.22 -0.66 0.00 -0.00 -0.86 -3.04 115.11 111.29 1dkx h GLN 603 Ca 0.56 -0.07 -0.05 0.00 -0.00 0.00 0.00 58.65 59.09 1dkx h GLN 603 Cb 1.01 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 28.44 1dkx h GLN 603 CO -0.48 0.44 0.19 1.96 0.00 0.00 0.00 178.83 180.95 1dkx h GLN 604 N -0.03 1.01 -0.76 1.69 1.08 0.12 -2.73 115.11 115.49 1dkx h GLN 604 Ca 0.04 -0.21 0.17 0.00 -1.45 0.00 0.00 58.65 57.20 1dkx h GLN 604 Cb 0.34 -0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 27.57 1dkx h GLN 604 CO 0.00 0.88 0.51 -0.56 -0.95 0.00 0.00 178.83 178.71 1dkx h GLN 605 N 0.97 0.30 -0.22 1.46 -0.00 -0.22 0.02 115.11 117.42 1dkx h GLN 605 Ca 0.21 -0.02 -0.14 0.00 -0.00 0.00 0.00 58.65 58.71 1dkx h GLN 605 Cb 0.30 -0.07 -0.10 0.00 -0.00 0.00 0.00 27.48 27.61 1dkx h GLN 605 CO -0.01 0.20 -0.43 -2.39 -0.00 0.00 0.00 178.83 176.21 1dkx n HIS 606 N -4.45 0.73 -1.18 0.06 -0.00 -1.08 -5.10 115.22 104.21 1dkx n HIS 606 Ca 0.15 -1.67 0.00 0.00 -0.00 0.00 0.00 57.72 56.20 1dkx n HIS 606 Cb 0.61 -0.34 0.00 0.00 -0.00 0.00 0.00 29.99 30.26 1dkx n HIS 606 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34