#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwh h SER 411 N 0.00 0.02 -3.74 1.61 4.64 -2.13 -3.46 113.55 110.48 3dwh h SER 411 Ca 0.00 -0.02 -0.50 0.00 -0.47 0.00 0.00 61.79 60.81 3dwh h SER 411 Cb 0.00 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3dwh h SER 411 CO 0.00 1.01 0.38 -2.28 -0.87 0.00 0.00 176.83 175.07 3dwh s HIS 412 N -2.70 3.88 -0.43 4.77 5.65 -1.26 -5.03 115.29 120.18 3dwh s HIS 412 Ca 0.00 1.86 -0.22 0.00 0.25 0.00 0.00 55.06 56.95 3dwh s HIS 412 Cb 0.10 -3.06 0.02 0.00 -1.18 0.00 0.00 32.58 28.46 3dwh s HIS 412 CO 0.82 0.21 0.73 1.41 -0.65 0.00 0.00 174.74 177.26 3dwh s MET 413 N -1.13 3.44 0.02 2.88 -2.45 -1.26 -5.04 119.30 115.77 3dwh s MET 413 Ca 0.42 -0.11 -0.24 0.00 -1.25 0.00 0.00 55.69 54.51 3dwh s MET 413 Cb -0.27 -3.92 -0.05 0.00 1.25 0.00 0.00 34.83 31.84 3dwh s MET 413 CO 0.34 -1.02 0.73 -1.25 1.05 0.00 0.00 175.02 174.87 3dwh s PRO 414 N 3.10 4.46 0.31 4.11 0.04 -1.26 -4.94 135.00 140.82 3dwh s PRO 414 Ca 0.28 1.00 0.17 0.00 0.04 0.00 0.00 61.00 62.48 3dwh s PRO 414 Cb -0.13 -3.37 0.26 0.00 0.04 0.00 0.00 34.50 31.30 3dwh s PRO 414 CO 0.20 0.27 1.53 0.77 0.04 0.00 0.00 177.00 179.81 3dwh h SER 415 N 5.81 0.00 0.00 6.66 0.02 -1.97 -3.23 113.55 120.84 3dwh h SER 415 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3dwh h SER 415 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3dwh h SER 415 CO 0.71 0.45 0.00 -0.46 -1.14 0.00 0.00 176.83 176.39 3dwh n ASN 416 N -3.29 1.33 -4.74 3.07 6.94 -1.26 -4.69 115.26 112.63 3dwh n ASN 416 Ca 0.01 -1.63 -0.36 0.00 -0.02 0.00 0.00 54.58 52.59 3dwh n ASN 416 Cb 0.66 -0.41 -0.08 0.00 -2.36 0.00 0.00 39.78 37.59 3dwh n ASN 416 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 3dwh s HIS 417 N -0.62 3.30 0.25 -2.53 2.46 -1.22 -5.06 115.29 111.86 3dwh s HIS 417 Ca 0.00 0.28 -0.30 0.00 0.47 0.00 0.00 55.06 55.52 3dwh s HIS 417 Cb 0.00 -1.86 -0.09 0.00 -0.13 0.00 0.00 32.58 30.50 3dwh s HIS 417 CO 0.00 0.52 1.09 0.71 -2.47 0.00 0.00 174.74 174.59 3dwh s TYR 418 N -0.82 3.62 0.00 3.88 2.02 -1.26 -4.93 117.35 119.87 3dwh s TYR 418 Ca 0.13 1.69 0.00 0.00 -0.37 0.00 0.00 57.07 58.52 3dwh s TYR 418 Cb -0.12 -3.25 0.00 0.00 -0.40 0.00 0.00 41.96 38.19 3dwh s TYR 418 CO 0.03 -0.47 0.00 0.41 -1.57 0.00 0.00 175.55 173.94 3dwh n GLY 419 N 1.44 -1.21 3.74 0.71 0.00 -1.26 -5.03 105.19 103.58 3dwh n GLY 419 Ca -0.00 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.48 3dwh n GLY 419 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3dwh s PRO 420 N -0.46 2.38 -0.21 1.61 0.02 -1.26 -4.80 135.00 132.27 3dwh s PRO 420 Ca 0.00 1.64 -0.23 0.00 0.02 0.00 0.00 61.00 62.42 3dwh s PRO 420 Cb 0.00 -1.88 -0.01 0.00 0.02 0.00 0.00 34.50 32.63 3dwh s PRO 420 CO 0.00 -1.62 0.76 0.42 -0.33 0.00 0.00 177.00 176.23 3dwh s ILE 421 N -2.09 4.91 0.14 2.83 -1.09 -1.26 -5.02 121.20 119.61 3dwh s ILE 421 Ca 0.72 1.45 -0.35 0.00 -2.23 0.00 0.00 60.65 60.24 3dwh s ILE 421 Cb -0.26 -4.06 -0.15 0.00 -1.58 0.00 0.00 42.46 36.41 3dwh s ILE 421 CO 0.43 0.01 1.43 -2.65 -1.23 0.00 0.00 174.94 172.93 3dwh n PRO 422 N 5.56 1.65 -0.82 2.79 -0.02 -1.26 -1.36 135.00 141.54 3dwh n PRO 422 Ca 0.03 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3dwh n PRO 422 Cb 0.48 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3dwh n PRO 422 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dwh n GLY 423 N 2.82 0.80 2.94 -1.23 0.00 -1.26 -5.01 105.19 104.25 3dwh n GLY 423 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3dwh n GLY 423 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dwh s ILE 424 N -3.09 2.43 0.71 -0.61 1.01 -0.46 -5.10 121.20 116.08 3dwh s ILE 424 Ca 0.00 -3.10 -0.13 0.00 0.00 0.00 0.00 60.65 57.42 3dwh s ILE 424 Cb 0.00 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.79 3dwh s ILE 424 CO 0.00 -0.78 1.09 -2.16 0.00 0.00 0.00 174.94 173.09 3dwh s PRO 425 N -0.06 2.61 0.20 2.79 0.04 -1.26 -4.63 135.00 134.69 3dwh s PRO 425 Ca 0.16 1.24 -0.32 0.00 0.04 0.00 0.00 61.00 62.11 3dwh s PRO 425 Cb -0.25 -1.94 -0.13 0.00 0.04 0.00 0.00 34.50 32.23 3dwh s PRO 425 CO -0.01 -1.38 1.66 0.28 0.04 0.00 0.00 177.00 177.58 3dwh n VAL 426 N -2.95 0.10 0.00 -0.36 0.31 -1.26 -2.03 118.33 112.14 3dwh n VAL 426 Ca 0.09 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3dwh n VAL 426 Cb 0.53 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 3dwh n VAL 426 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dwh n GLY 427 N 3.61 1.13 3.77 2.92 0.00 0.34 -4.84 105.19 112.12 3dwh n GLY 427 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3dwh n GLY 427 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dwh s THR 428 N -2.12 2.10 -0.01 2.61 2.01 -0.86 -4.74 115.64 114.63 3dwh s THR 428 Ca 0.00 0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.14 3dwh s THR 428 Cb 0.00 -3.06 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 3dwh s THR 428 CO 0.00 0.02 -0.15 -0.04 -0.69 0.00 0.00 174.62 173.76 3dwh s MET 429 N -1.79 1.22 -0.02 4.92 -1.94 -1.26 -0.77 119.30 119.66 3dwh s MET 429 Ca 0.54 -0.58 0.02 0.00 -1.71 0.00 0.00 55.69 53.96 3dwh s MET 429 Cb -0.46 -1.19 0.01 0.00 2.01 0.00 0.00 34.83 35.19 3dwh s MET 429 CO 0.60 0.32 -0.05 -1.58 -0.01 0.00 0.00 175.02 174.30 3dwh s TRP 430 N -0.41 0.57 0.20 -0.03 0.51 -0.13 -2.32 118.94 117.32 3dwh s TRP 430 Ca 0.06 -0.12 -0.09 0.00 -2.12 0.00 0.00 56.10 53.83 3dwh s TRP 430 Cb -0.06 -0.43 0.14 0.00 -0.81 0.00 0.00 33.47 32.31 3dwh s TRP 430 CO -0.00 -0.07 1.79 -0.09 -0.51 0.00 0.00 176.95 178.07 3dwh h ARG 431 N 6.42 1.08 -6.14 4.98 9.65 -1.49 0.73 114.38 129.61 3dwh h ARG 431 Ca -0.33 -0.16 -0.57 0.00 -1.10 0.00 0.00 59.98 57.82 3dwh h ARG 431 Cb 1.17 -0.19 -0.17 0.00 -1.39 0.00 0.00 29.97 29.39 3dwh h ARG 431 CO 0.49 0.85 -0.78 -0.06 2.80 0.00 0.00 179.97 183.27 3dwh s PHE 432 N -5.69 2.05 0.36 2.20 0.08 -1.26 -4.27 117.98 111.46 3dwh s PHE 432 Ca -0.13 -0.42 0.05 0.00 0.12 0.00 0.00 56.93 56.56 3dwh s PHE 432 Cb 0.15 -0.98 0.68 0.00 -0.57 0.00 0.00 43.02 42.30 3dwh s PHE 432 CO 0.81 0.47 1.94 0.00 -0.10 0.00 0.00 175.22 178.34 3dwh h ARG 433 N 2.92 0.54 -0.97 0.44 2.47 -1.98 -1.90 114.38 115.90 3dwh h ARG 433 Ca -0.42 -0.08 0.12 0.00 -1.26 0.00 0.00 59.98 58.33 3dwh h ARG 433 Cb 1.22 -0.09 -0.08 0.00 -1.65 0.00 0.00 29.97 29.37 3dwh h ARG 433 CO 0.54 0.49 0.61 -0.24 0.56 0.00 0.00 179.97 181.93 3dwh h VAL 434 N 0.53 0.91 -0.41 2.04 3.04 -1.96 -0.79 116.25 119.61 3dwh h VAL 434 Ca 0.12 -0.32 -0.15 0.00 -1.01 0.00 0.00 66.70 65.34 3dwh h VAL 434 Cb 0.20 -0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 29.37 3dwh h VAL 434 CO -0.00 0.17 -0.35 1.56 -1.01 0.00 0.00 177.57 177.94 3dwh h GLN 435 N 0.92 0.95 -0.67 4.17 4.20 -1.77 -0.54 115.11 122.37 3dwh h GLN 435 Ca 0.48 -0.48 0.02 0.00 0.06 0.00 0.00 58.65 58.73 3dwh h GLN 435 Cb 0.53 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.27 3dwh h GLN 435 CO -0.24 1.14 0.43 0.28 -0.67 0.00 0.00 178.83 179.77 3dwh h VAL 436 N 0.79 1.11 -0.34 -0.54 2.07 -1.12 -1.46 116.25 116.76 3dwh h VAL 436 Ca 0.07 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3dwh h VAL 436 Cb 0.94 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3dwh h VAL 436 CO 0.09 0.16 0.18 0.28 0.02 0.00 0.00 177.57 178.29 3dwh h SER 437 N 0.85 0.43 -0.36 0.57 0.02 -0.99 -2.91 113.55 111.15 3dwh h SER 437 Ca 0.26 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 3dwh h SER 437 Cb -0.02 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3dwh h SER 437 CO -0.09 0.41 0.06 -0.08 -1.14 0.00 0.00 176.83 175.99 3dwh h GLU 438 N 0.41 0.68 0.00 3.45 4.81 -0.79 -1.35 114.58 121.80 3dwh h GLU 438 Ca 0.12 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3dwh h GLU 438 Cb 0.08 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 3dwh h GLU 438 CO -0.02 0.66 -0.03 0.66 -0.73 0.00 0.00 179.01 179.54 3dwh h SER 439 N 0.66 0.00 0.00 1.04 4.64 -1.09 -3.46 113.55 115.34 3dwh h SER 439 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3dwh h SER 439 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3dwh h SER 439 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 3dwh n GLY 440 N -1.03 1.39 0.29 -0.77 0.00 -0.51 -4.92 105.19 99.63 3dwh n GLY 440 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3dwh n GLY 440 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3dwh h VAL 441 N 0.00 1.27 -2.70 1.61 2.07 -1.79 -3.37 116.25 113.35 3dwh h VAL 441 Ca 0.00 -1.26 -0.53 0.00 0.82 0.00 0.00 66.70 65.72 3dwh h VAL 441 Cb 0.00 0.97 -0.39 0.00 -1.52 0.00 0.00 31.29 30.35 3dwh h VAL 441 CO 0.00 0.45 -0.79 -2.28 0.02 0.00 0.00 177.57 174.96 3dwh s HIS 442 N -4.84 0.39 0.09 1.57 5.65 -1.22 -4.78 115.29 112.15 3dwh s HIS 442 Ca -0.11 -1.05 -0.22 0.00 0.25 0.00 0.00 55.06 53.92 3dwh s HIS 442 Cb 0.13 -0.88 -0.13 0.00 -1.18 0.00 0.00 32.58 30.52 3dwh s HIS 442 CO 0.86 -0.84 1.71 -0.09 -0.65 0.00 0.00 174.74 175.73 3dwh h ARG 443 N 8.00 0.08 -6.62 2.88 9.65 -1.80 -3.20 114.38 123.36 3dwh h ARG 443 Ca -0.12 -0.01 -0.57 0.00 -1.10 0.00 0.00 59.98 58.18 3dwh h ARG 443 Cb 1.00 -0.02 0.08 0.00 -1.39 0.00 0.00 29.97 29.64 3dwh h ARG 443 CO 0.38 0.10 0.73 -2.30 2.80 0.00 0.00 179.97 181.68 3dwh n PRO 444 N -5.03 2.24 -0.12 0.20 -0.02 -1.26 -4.66 135.00 126.35 3dwh n PRO 444 Ca -0.06 0.80 -0.11 0.00 -2.02 0.00 0.00 63.50 62.10 3dwh n PRO 444 Cb 0.05 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 30.99 3dwh n PRO 444 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3dwh h HIS 445 N 4.80 0.76 0.00 6.00 2.76 -1.94 -3.41 115.15 124.12 3dwh h HIS 445 Ca -0.45 -0.17 -0.11 0.00 -2.20 0.00 0.00 60.37 57.44 3dwh h HIS 445 Cb 1.26 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 30.02 3dwh h HIS 445 CO 0.58 0.85 -1.15 0.28 -1.30 0.00 0.00 177.93 177.19 3dwh n VAL 446 N -4.40 1.31 -1.66 5.26 0.31 -1.26 -5.00 118.33 112.90 3dwh n VAL 446 Ca -0.02 0.06 -0.43 0.00 -0.01 0.00 0.00 64.34 63.94 3dwh n VAL 446 Cb 0.35 -2.01 -0.01 0.00 -0.91 0.00 0.00 33.84 31.26 3dwh n VAL 446 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dwh n ALA 447 N -4.08 0.76 0.57 3.52 0.00 -1.26 -4.88 120.51 115.13 3dwh n ALA 447 Ca -0.19 0.37 0.13 0.00 0.00 0.00 0.00 53.44 53.75 3dwh n ALA 447 Cb 0.50 -2.17 0.43 0.00 0.00 0.00 0.00 19.45 18.21 3dwh n ALA 447 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dwh n GLY 448 N 0.99 -1.58 3.09 0.00 0.00 -1.26 -4.75 105.19 101.67 3dwh n GLY 448 Ca 0.07 0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 3dwh n GLY 448 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dwh s ILE 449 N -3.16 0.89 -0.24 -0.61 1.01 -1.26 -0.39 121.20 117.44 3dwh s ILE 449 Ca 0.09 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 3dwh s ILE 449 Cb 0.12 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.79 3dwh s ILE 449 CO 0.54 0.05 -0.03 -2.28 0.00 0.00 0.00 174.94 173.22 3dwh s HIS 450 N -0.64 3.02 0.07 3.97 5.65 -0.16 -4.92 115.29 122.28 3dwh s HIS 450 Ca 0.01 -1.13 -0.27 0.00 0.25 0.00 0.00 55.06 53.92 3dwh s HIS 450 Cb -0.06 -2.12 0.08 0.00 -1.18 0.00 0.00 32.58 29.31 3dwh s HIS 450 CO 0.00 -0.61 0.99 0.20 -0.65 0.00 0.00 174.74 174.68 3dwh s GLY 451 N 1.44 -0.32 -0.08 1.59 0.00 -1.26 -0.59 107.32 108.10 3dwh s GLY 451 Ca 0.04 0.51 0.05 0.00 0.00 0.00 0.00 44.72 45.31 3dwh s GLY 451 CO -0.03 0.13 -0.23 0.50 0.00 0.00 0.00 173.10 173.47 3dwh s ARG 452 N -3.09 2.72 0.62 2.90 0.52 -0.29 -4.80 118.95 117.53 3dwh s ARG 452 Ca 0.10 -0.85 0.33 0.00 -0.52 0.00 0.00 55.73 54.79 3dwh s ARG 452 Cb -0.00 -2.16 1.83 0.00 0.52 0.00 0.00 34.95 35.14 3dwh s ARG 452 CO -0.02 0.26 2.13 0.66 0.02 0.00 0.00 175.30 178.35 3dwh h SER 453 N 6.44 0.00 -0.42 0.23 4.64 -1.86 0.41 113.55 122.99 3dwh h SER 453 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3dwh h SER 453 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3dwh h SER 453 CO 0.47 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.97 3dwh n ASN 454 N -3.46 4.12 0.01 4.97 0.23 -1.26 -4.35 115.26 115.51 3dwh n ASN 454 Ca -0.00 -2.63 0.00 0.00 -0.53 0.00 0.00 54.58 51.42 3dwh n ASN 454 Cb 0.27 -0.50 0.00 0.00 -2.08 0.00 0.00 39.78 37.47 3dwh n ASN 454 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3dwh n ASP 455 N 0.29 -0.00 0.00 0.53 2.03 0.04 -5.16 116.55 114.28 3dwh n ASP 455 Ca 0.21 0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.56 3dwh n ASP 455 Cb 0.82 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 41.25 3dwh n ASP 455 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dwh n GLY 456 N 1.78 -0.04 3.53 0.27 0.00 -0.62 -4.77 105.19 105.34 3dwh n GLY 456 Ca 0.00 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.44 3dwh n GLY 456 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwh s ALA 457 N -2.00 3.03 -0.14 4.61 0.00 -1.15 -1.14 121.76 124.97 3dwh s ALA 457 Ca 0.00 -0.83 0.13 0.00 0.00 0.00 0.00 51.96 51.27 3dwh s ALA 457 Cb 0.00 -1.50 -0.24 0.00 0.00 0.00 0.00 23.12 21.38 3dwh s ALA 457 CO 0.00 0.31 0.30 0.66 0.00 0.00 0.00 175.76 177.03 3dwh n TYR 458 N 3.17 0.47 -3.45 0.00 4.01 0.25 -4.62 117.16 116.99 3dwh n TYR 458 Ca -0.18 0.16 -0.12 0.00 -0.16 0.00 0.00 57.90 57.60 3dwh n TYR 458 Cb 0.53 -1.08 -0.03 0.00 -0.31 0.00 0.00 39.34 38.45 3dwh n TYR 458 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3dwh s SER 459 N -5.90 -0.54 0.03 7.72 1.04 -1.19 -1.53 113.70 113.34 3dwh s SER 459 Ca -0.10 0.09 -0.15 0.00 0.48 0.00 0.00 55.95 56.27 3dwh s SER 459 Cb 0.07 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.76 3dwh s SER 459 CO 0.81 -0.85 0.33 -1.48 0.98 0.00 0.00 173.24 173.02 3dwh s LEU 460 N -2.49 0.78 -0.10 2.42 0.05 -0.39 -0.99 118.68 117.96 3dwh s LEU 460 Ca 0.00 -0.11 0.01 0.00 0.05 0.00 0.00 54.13 54.08 3dwh s LEU 460 Cb -0.01 1.42 -0.02 0.00 -2.05 0.00 0.00 46.19 45.53 3dwh s LEU 460 CO -0.09 -0.60 -0.12 -0.69 -0.55 0.00 0.00 176.35 174.29 3dwh s VAL 461 N -2.34 3.15 -0.32 1.48 1.01 0.48 -1.61 120.40 122.25 3dwh s VAL 461 Ca -0.06 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 3dwh s VAL 461 Cb -0.01 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 3dwh s VAL 461 CO -0.02 0.55 0.22 -0.76 0.00 0.00 0.00 175.10 175.09 3dwh s LEU 462 N -0.07 4.36 -0.20 3.92 1.43 0.05 -4.88 118.68 123.29 3dwh s LEU 462 Ca -0.02 -0.35 0.23 0.00 -1.03 0.00 0.00 54.13 52.96 3dwh s LEU 462 Cb -0.14 -2.12 0.48 0.00 0.03 0.00 0.00 46.19 44.44 3dwh s LEU 462 CO 0.04 -0.19 1.14 0.00 0.23 0.00 0.00 176.35 177.57 3dwh n ALA 463 N 5.08 2.56 -0.83 4.21 0.00 -1.26 -1.08 120.51 129.19 3dwh n ALA 463 Ca -0.13 -2.54 0.06 0.00 0.00 0.00 0.00 53.44 50.83 3dwh n ALA 463 Cb 0.50 -0.84 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 3dwh n ALA 463 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dwh n GLY 464 N -0.38 -1.59 0.00 0.00 0.00 -1.26 -3.93 105.19 98.03 3dwh n GLY 464 Ca 0.05 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3dwh n GLY 464 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwh n GLY 465 N -1.39 -1.11 2.61 -0.02 0.00 -1.26 -4.95 105.19 99.07 3dwh n GLY 465 Ca 0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 46.02 44.58 3dwh n GLY 465 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3dwh n TYR 466 N -0.16 -4.10 0.26 1.61 4.19 -1.26 -4.79 117.16 112.90 3dwh n TYR 466 Ca 0.00 2.40 0.12 0.00 3.31 0.00 0.00 57.90 63.73 3dwh n TYR 466 Cb 0.00 -3.62 0.68 0.00 0.49 0.00 0.00 39.34 36.89 3dwh n TYR 466 CO 0.00 0.00 0.00 1.05 0.91 0.00 0.00 176.86 178.82 3dwh h GLU 467 N 4.25 0.00 0.00 2.98 -0.00 -2.04 -2.64 114.58 117.14 3dwh h GLU 467 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 3dwh h GLU 467 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.76 3dwh h GLU 467 CO 0.01 0.14 0.00 -0.25 -0.00 0.00 0.00 179.01 178.91 3dwh n ASP 468 N -3.60 0.39 -4.77 3.06 8.00 -1.26 -4.83 116.55 113.55 3dwh n ASP 468 Ca -0.01 0.54 -0.39 0.00 0.71 0.00 0.00 54.79 55.63 3dwh n ASP 468 Cb 0.27 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 40.70 3dwh n ASP 468 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3dwh s ASP 469 N -3.74 6.84 0.07 -2.24 1.01 -1.00 -5.02 116.67 112.60 3dwh s ASP 469 Ca 0.12 2.37 0.09 0.00 0.71 0.00 0.00 52.55 55.85 3dwh s ASP 469 Cb 0.16 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 3dwh s ASP 469 CO 0.56 -0.45 -0.24 0.68 0.21 0.00 0.00 175.17 175.92 3dwh s VAL 470 N -1.29 1.98 -0.21 -1.27 -7.23 -1.26 -4.96 120.40 106.16 3dwh s VAL 470 Ca 0.51 -1.44 -0.01 0.00 -1.81 0.00 0.00 61.98 59.24 3dwh s VAL 470 Cb -0.32 -1.72 0.06 0.00 0.56 0.00 0.00 36.38 34.95 3dwh s VAL 470 CO 0.42 0.21 -0.02 -0.62 -0.31 0.00 0.00 175.10 174.77 3dwh s ASP 471 N -1.49 3.33 -0.23 4.85 2.15 -1.26 -0.71 116.67 123.32 3dwh s ASP 471 Ca 0.10 -0.96 0.14 0.00 0.43 0.00 0.00 52.55 52.26 3dwh s ASP 471 Cb -0.10 -0.92 0.53 0.00 -0.30 0.00 0.00 42.92 42.14 3dwh s ASP 471 CO 0.03 -0.25 1.46 1.41 -0.17 0.00 0.00 175.17 177.65 3dwh n HIS 472 N 4.85 1.10 0.00 -5.34 8.25 0.68 -4.60 115.22 120.15 3dwh n HIS 472 Ca -0.11 -1.15 0.00 0.00 -0.26 0.00 0.00 57.72 56.20 3dwh n HIS 472 Cb 0.46 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.16 3dwh n HIS 472 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dwh n GLY 473 N -0.73 2.18 0.12 -1.41 0.00 -1.26 -4.00 105.19 100.08 3dwh n GLY 473 Ca 0.27 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3dwh n GLY 473 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dwh n ASN 474 N 4.88 0.67 -4.08 1.61 4.13 -1.26 -4.72 115.26 116.49 3dwh n ASN 474 Ca 0.00 0.63 -0.08 0.00 1.68 0.00 0.00 54.58 56.81 3dwh n ASN 474 Cb 0.00 -0.79 -0.10 0.00 -1.54 0.00 0.00 39.78 37.35 3dwh n ASN 474 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3dwh s PHE 475 N -3.24 0.53 0.09 3.10 -0.12 -1.26 -0.49 117.98 116.60 3dwh s PHE 475 Ca 0.06 -0.90 -0.23 0.00 -0.05 0.00 0.00 56.93 55.81 3dwh s PHE 475 Cb 0.10 -0.37 0.06 0.00 -0.63 0.00 0.00 43.02 42.18 3dwh s PHE 475 CO 0.45 -0.29 0.57 -0.59 -0.05 0.00 0.00 175.22 175.31 3dwh s PHE 476 N -3.22 -0.49 0.25 3.49 -0.12 -0.70 -0.23 117.98 116.95 3dwh s PHE 476 Ca 0.02 0.45 0.06 0.00 -0.05 0.00 0.00 56.93 57.42 3dwh s PHE 476 Cb 0.03 0.44 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 3dwh s PHE 476 CO -0.07 -0.73 0.23 0.95 -0.05 0.00 0.00 175.22 175.55 3dwh s THR 477 N -2.95 4.64 -0.12 -4.49 -4.23 0.12 -1.21 115.64 107.39 3dwh s THR 477 Ca -0.03 -1.30 -0.18 0.00 -1.18 0.00 0.00 61.69 59.01 3dwh s THR 477 Cb -0.00 -3.50 0.04 0.00 1.34 0.00 0.00 72.50 70.37 3dwh s THR 477 CO -0.06 -0.34 0.46 -0.47 -0.54 0.00 0.00 174.62 173.68 3dwh s TYR 478 N -2.08 -0.45 -0.03 3.99 5.04 -0.47 -4.18 117.35 119.17 3dwh s TYR 478 Ca 0.33 1.00 0.06 0.00 -2.44 0.00 0.00 57.07 56.02 3dwh s TYR 478 Cb -0.08 0.19 -0.02 0.00 0.35 0.00 0.00 41.96 42.39 3dwh s TYR 478 CO 0.26 -0.34 -0.20 0.99 -1.34 0.00 0.00 175.55 174.93 3dwh s THR 479 N -0.35 2.60 0.97 4.34 2.01 -1.26 -0.65 115.64 123.30 3dwh s THR 479 Ca -0.05 -0.94 -0.16 0.00 0.31 0.00 0.00 61.69 60.85 3dwh s THR 479 Cb -0.03 -1.98 0.24 0.00 0.01 0.00 0.00 72.50 70.74 3dwh s THR 479 CO 0.03 0.56 0.83 0.61 -0.69 0.00 0.00 174.62 175.95 3dwh n GLY 480 N 2.27 -2.84 3.66 4.40 0.00 0.18 -5.00 105.19 107.87 3dwh n GLY 480 Ca -0.17 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 3dwh n GLY 480 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dwh s SER 481 N -3.68 3.79 0.00 1.61 1.04 -1.26 -4.83 113.70 110.37 3dwh s SER 481 Ca 0.54 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 55.46 3dwh s SER 481 Cb -0.06 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.16 3dwh s SER 481 CO 0.42 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.58 3dwh n GLY 482 N -1.07 -1.68 0.12 7.32 0.00 -1.26 -4.68 105.19 103.94 3dwh n GLY 482 Ca -0.11 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.87 3dwh n GLY 482 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwh n GLY 483 N 0.00 0.00 4.82 -0.02 0.00 -1.26 -4.85 105.19 103.89 3dwh n GLY 483 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3dwh n GLY 483 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dwh n SER 496 N -0.82 0.00 -3.66 1.61 2.88 -1.26 -4.77 113.62 107.60 3dwh n SER 496 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 3dwh n SER 496 Cb 0.06 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.51 3dwh n SER 496 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dwh n ASP 498 N -0.66 2.67 -4.78 0.00 8.00 -1.26 -4.65 116.55 115.87 3dwh n ASP 498 Ca -0.05 1.18 -0.37 0.00 0.71 0.00 0.00 54.79 56.25 3dwh n ASP 498 Cb 0.59 -1.45 -0.05 0.00 -0.02 0.00 0.00 41.12 40.19 3dwh n ASP 498 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3dwh s GLN 499 N -1.21 4.42 0.20 -1.24 -0.21 0.75 -4.33 119.66 118.04 3dwh s GLN 499 Ca 0.61 1.47 0.08 0.00 0.02 0.00 0.00 55.36 57.53 3dwh s GLN 499 Cb -0.61 -2.75 -0.04 0.00 1.00 0.00 0.00 33.01 30.61 3dwh s GLN 499 CO 0.57 0.10 0.03 0.15 -2.12 0.00 0.00 175.29 174.02 3dwh s LYS 500 N -2.15 2.47 -1.31 2.91 -0.14 -1.26 -4.79 119.74 115.47 3dwh s LYS 500 Ca 0.52 -1.15 -0.09 0.00 -1.36 0.00 0.00 55.97 53.89 3dwh s LYS 500 Cb -0.22 -2.36 0.15 0.00 -1.68 0.00 0.00 37.83 33.72 3dwh s LYS 500 CO 0.28 0.43 1.97 -0.11 -0.76 0.00 0.00 175.35 177.16 3dwh n LEU 501 N -0.41 6.84 -4.47 3.17 7.94 -1.26 -4.73 117.00 124.08 3dwh n LEU 501 Ca -0.09 -4.61 -0.22 0.00 -1.11 0.00 0.00 56.01 49.98 3dwh n LEU 501 Cb 0.56 -1.49 -0.10 0.00 0.53 0.00 0.00 43.42 42.92 3dwh n LEU 501 CO 0.40 1.42 -0.26 0.42 -1.11 0.00 0.00 177.39 178.26 3dwh s THR 502 N 0.57 1.10 0.00 1.96 -4.23 -1.26 -4.44 115.64 109.33 3dwh s THR 502 Ca 0.42 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 3dwh s THR 502 Cb 0.11 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 71.24 3dwh s THR 502 CO -0.01 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 174.66 3dwh n ASN 503 N -0.79 0.00 0.17 3.99 3.02 -1.26 -2.15 115.26 118.24 3dwh n ASN 503 Ca -0.03 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.58 3dwh n ASN 503 Cb 0.66 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.99 3dwh n ASN 503 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3dwh h THR 504 N 0.00 0.64 -0.67 3.41 1.35 -1.95 -1.96 112.91 113.73 3dwh h THR 504 Ca 0.00 -1.74 0.06 0.00 -0.55 0.00 0.00 66.41 64.18 3dwh h THR 504 Cb 0.00 2.19 -0.05 0.00 -1.73 0.00 0.00 68.15 68.55 3dwh h THR 504 CO 0.00 0.34 0.37 0.78 -0.25 0.00 0.00 175.52 176.76 3dwh h ASN 505 N 0.00 0.55 -0.11 5.36 2.35 -1.74 -0.36 115.58 121.64 3dwh h ASN 505 Ca -0.00 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 3dwh h ASN 505 Cb 1.16 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.45 3dwh h ASN 505 CO 0.05 0.36 -0.10 -0.09 -1.65 0.00 0.00 177.43 176.00 3dwh h ARG 506 N 0.69 0.25 -0.35 0.81 2.43 -1.08 -2.13 114.38 115.01 3dwh h ARG 506 Ca 0.30 -0.13 0.08 0.00 -0.81 0.00 0.00 59.98 59.41 3dwh h ARG 506 Cb 0.18 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.66 3dwh h ARG 506 CO -0.18 0.66 -0.16 0.00 -1.51 0.00 0.00 179.97 178.77 3dwh h ALA 507 N 0.59 0.11 -0.62 2.80 0.00 -1.14 -0.94 119.26 120.07 3dwh h ALA 507 Ca 0.02 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3dwh h ALA 507 Cb 0.60 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3dwh h ALA 507 CO 0.02 -0.54 0.01 1.25 0.00 0.00 0.00 179.25 179.99 3dwh h LEU 508 N -0.10 1.07 -1.39 0.00 5.85 -1.04 -2.45 115.31 117.25 3dwh h LEU 508 Ca 0.18 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.67 3dwh h LEU 508 Cb 0.37 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 3dwh h LEU 508 CO -0.42 1.11 0.48 0.00 -0.34 0.00 0.00 178.44 179.27 3dwh h ALA 509 N 0.99 1.74 0.00 1.25 0.00 -0.94 -2.33 119.26 119.97 3dwh h ALA 509 Ca 0.18 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3dwh h ALA 509 Cb 0.56 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3dwh h ALA 509 CO 0.03 0.13 -0.31 -0.07 0.00 0.00 0.00 179.25 179.03 3dwh h LEU 510 N 0.72 0.00 -1.78 0.00 3.38 -0.69 -2.33 115.31 114.62 3dwh h LEU 510 Ca 0.32 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 3dwh h LEU 510 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3dwh h LEU 510 CO -0.11 0.31 -0.14 0.78 0.09 0.00 0.00 178.44 179.37 3dwh h ASN 511 N 0.00 0.00 -3.71 -0.43 4.21 -1.35 -3.44 115.58 110.86 3dwh h ASN 511 Ca -0.00 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 56.98 3dwh h ASN 511 Cb 0.60 0.00 0.06 0.00 -1.12 0.00 0.00 38.32 37.87 3dwh h ASN 511 CO 0.04 0.14 0.68 0.00 -1.29 0.00 0.00 177.43 177.01 3dwh n PHE 513 N 1.34 3.13 -3.56 0.00 7.35 -1.26 -4.74 117.46 119.73 3dwh n PHE 513 Ca 0.02 -2.96 -0.15 0.00 -0.76 0.00 0.00 57.45 53.61 3dwh n PHE 513 Cb 0.41 -2.39 -0.06 0.00 0.35 0.00 0.00 39.48 37.80 3dwh n PHE 513 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3dwh s ALA 514 N 2.18 -1.83 0.40 3.13 0.00 -1.26 -4.44 121.76 119.93 3dwh s ALA 514 Ca 0.51 1.51 -0.27 0.00 0.00 0.00 0.00 51.96 53.71 3dwh s ALA 514 Cb 0.14 -0.42 -0.10 0.00 0.00 0.00 0.00 23.12 22.74 3dwh s ALA 514 CO -0.07 -0.34 1.44 -2.30 0.00 0.00 0.00 175.76 174.50 3dwh n PRO 515 N 1.12 2.47 -1.80 0.00 -0.02 -1.26 -4.90 135.00 130.60 3dwh n PRO 515 Ca -0.15 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 3dwh n PRO 515 Cb 0.57 -2.62 -0.02 0.00 -0.02 0.00 0.00 33.50 31.41 3dwh n PRO 515 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3dwh s ILE 516 N -1.14 2.14 -0.12 4.25 1.10 -1.26 -4.86 121.20 121.30 3dwh s ILE 516 Ca 0.56 0.11 -0.04 0.00 -0.51 0.00 0.00 60.65 60.77 3dwh s ILE 516 Cb -0.48 -3.07 0.05 0.00 0.15 0.00 0.00 42.46 39.11 3dwh s ILE 516 CO 0.62 0.02 0.08 0.21 -2.11 0.00 0.00 174.94 173.75 3dwh s ASN 517 N 0.64 1.94 -0.08 4.50 3.84 -1.26 -5.02 114.94 119.49 3dwh s ASN 517 Ca 0.65 -0.37 0.17 0.00 0.21 0.00 0.00 52.86 53.52 3dwh s ASN 517 Cb -0.47 -0.22 0.63 0.00 -0.55 0.00 0.00 41.25 40.64 3dwh s ASN 517 CO 0.44 -0.31 1.52 -0.90 -2.79 0.00 0.00 177.10 175.06 3dwh n ASP 518 N 5.28 4.15 -0.08 -4.21 5.75 -1.26 -2.06 116.55 124.11 3dwh n ASP 518 Ca -0.06 -2.33 -0.10 0.00 -0.01 0.00 0.00 54.79 52.29 3dwh n ASP 518 Cb 0.49 -0.53 -0.03 0.00 -1.03 0.00 0.00 41.12 40.02 3dwh n ASP 518 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dwh n GLN 519 N 1.05 0.48 0.00 0.11 6.02 -1.26 -4.77 117.38 119.01 3dwh n GLN 519 Ca 0.23 0.19 0.05 0.00 -0.01 0.00 0.00 57.00 57.46 3dwh n GLN 519 Cb 0.76 -1.34 0.01 0.00 1.02 0.00 0.00 30.24 30.70 3dwh n GLN 519 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 3dwh n GLU 520 N -4.33 1.45 0.00 -1.09 0.00 -1.26 -4.80 120.64 110.62 3dwh n GLU 520 Ca -0.17 -0.77 0.00 0.00 0.00 0.00 0.00 57.16 56.22 3dwh n GLU 520 Cb 0.51 -1.11 0.00 0.00 0.00 0.00 0.00 31.44 30.84 3dwh n GLU 520 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3dwh n GLY 521 N 0.74 -1.28 3.46 -1.84 0.00 -0.88 -4.44 105.19 100.96 3dwh n GLY 521 Ca 0.05 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 3dwh n GLY 521 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwh s ALA 522 N -1.09 -1.68 -0.03 4.61 0.00 -0.72 -4.58 121.76 118.27 3dwh s ALA 522 Ca 0.00 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.76 3dwh s ALA 522 Cb 0.00 0.57 0.01 0.00 0.00 0.00 0.00 23.12 23.70 3dwh s ALA 522 CO 0.00 -0.66 -0.07 -2.00 0.00 0.00 0.00 175.76 173.04 3dwh s GLU 523 N -3.02 0.80 -0.33 0.00 2.12 -1.26 -1.50 118.70 115.51 3dwh s GLU 523 Ca -0.01 -0.22 -0.16 0.00 0.36 0.00 0.00 54.97 54.94 3dwh s GLU 523 Cb -0.01 -0.77 -0.01 0.00 0.26 0.00 0.00 34.13 33.60 3dwh s GLU 523 CO -0.07 0.06 0.43 0.00 -0.54 0.00 0.00 175.26 175.14 3dwh s ALA 524 N 0.34 3.51 0.17 6.30 0.00 -0.29 -4.82 121.76 126.96 3dwh s ALA 524 Ca -0.05 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 50.76 3dwh s ALA 524 Cb -0.09 -2.88 0.07 0.00 0.00 0.00 0.00 23.12 20.22 3dwh s ALA 524 CO 0.00 -1.04 1.72 -0.22 0.00 0.00 0.00 175.76 176.22 3dwh h LYS 525 N 8.39 0.87 -2.33 0.00 3.64 -1.87 -3.22 116.57 122.05 3dwh h LYS 525 Ca -0.29 -0.17 -0.77 0.00 -1.27 0.00 0.00 60.65 58.16 3dwh h LYS 525 Cb 1.14 -0.14 -0.30 0.00 -0.41 0.00 0.00 32.23 32.52 3dwh h LYS 525 CO 0.72 0.76 0.67 -0.25 -2.27 0.00 0.00 179.45 179.07 3dwh n ASP 526 N -4.47 6.65 0.12 4.20 8.00 -1.26 -4.86 116.55 124.94 3dwh n ASP 526 Ca 0.03 -3.65 0.09 0.00 0.71 0.00 0.00 54.79 51.97 3dwh n ASP 526 Cb 0.17 -1.06 0.58 0.00 -0.02 0.00 0.00 41.12 40.79 3dwh n ASP 526 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 3dwh h TRP 527 N 4.13 0.18 0.00 1.24 5.08 -1.89 -1.20 115.95 123.50 3dwh h TRP 527 Ca 0.42 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.39 3dwh h TRP 527 Cb 0.40 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 26.49 3dwh h TRP 527 CO 1.20 0.11 0.00 0.00 -1.28 0.00 0.00 178.44 178.46 3dwh h ARG 528 N 0.19 0.00 -0.00 0.12 3.08 -1.92 -1.79 114.38 114.06 3dwh h ARG 528 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3dwh h ARG 528 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3dwh h ARG 528 CO -0.02 0.00 -0.02 0.43 -1.07 0.00 0.00 179.97 179.29 3dwh n SER 529 N -3.00 0.27 -4.12 7.04 7.64 -0.45 -4.90 113.62 116.10 3dwh n SER 529 Ca -0.03 -0.80 -0.30 0.00 1.01 0.00 0.00 58.87 58.76 3dwh n SER 529 Cb 0.07 -0.07 0.19 0.00 -1.01 0.00 0.00 64.21 63.39 3dwh n SER 529 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3dwh s GLY 530 N -2.21 1.70 0.34 0.23 0.00 -0.67 -4.91 107.32 101.79 3dwh s GLY 530 Ca 0.39 -1.05 -0.27 0.00 0.00 0.00 0.00 44.72 43.79 3dwh s GLY 530 CO 0.41 -0.27 1.07 0.54 0.00 0.00 0.00 173.10 174.84 3dwh s LYS 531 N -5.69 4.41 0.36 2.90 1.02 -0.29 -4.99 119.74 117.47 3dwh s LYS 531 Ca 0.72 1.65 -0.26 0.00 0.02 0.00 0.00 55.97 58.09 3dwh s LYS 531 Cb -0.07 -2.87 -0.09 0.00 -0.52 0.00 0.00 37.83 34.28 3dwh s LYS 531 CO 0.54 0.05 1.08 -1.25 -0.92 0.00 0.00 175.35 174.85 3dwh s PRO 532 N -1.95 4.30 -0.12 -1.68 0.04 -1.26 -4.56 135.00 129.76 3dwh s PRO 532 Ca 0.51 1.65 0.03 0.00 0.04 0.00 0.00 61.00 63.23 3dwh s PRO 532 Cb -0.27 -2.77 0.01 0.00 0.04 0.00 0.00 34.50 31.51 3dwh s PRO 532 CO 0.34 -0.05 -0.22 0.08 0.04 0.00 0.00 177.00 177.19 3dwh s VAL 533 N -1.46 2.03 0.02 -0.36 1.01 0.57 -4.52 120.40 117.69 3dwh s VAL 533 Ca 0.53 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 3dwh s VAL 533 Cb -0.26 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3dwh s VAL 533 CO 0.33 0.55 1.13 -0.13 0.00 0.00 0.00 175.10 176.98 3dwh s ARG 534 N 0.65 4.46 -0.16 2.72 0.52 -0.58 -0.89 118.95 125.66 3dwh s ARG 534 Ca -0.11 1.64 0.00 0.00 -0.52 0.00 0.00 55.73 56.74 3dwh s ARG 534 Cb -0.16 -3.42 -0.00 0.00 0.52 0.00 0.00 34.95 31.89 3dwh s ARG 534 CO 0.02 -0.23 -0.15 0.08 0.02 0.00 0.00 175.30 175.04 3dwh s VAL 535 N 1.25 2.65 -0.12 3.52 1.01 -0.45 -1.26 120.40 127.00 3dwh s VAL 535 Ca 0.56 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 3dwh s VAL 535 Cb -0.26 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 3dwh s VAL 535 CO 0.27 0.51 -0.09 -0.69 0.00 0.00 0.00 175.10 175.11 3dwh s VAL 536 N 0.83 3.49 -0.15 2.92 1.01 -0.64 -1.20 120.40 126.66 3dwh s VAL 536 Ca -0.05 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 3dwh s VAL 536 Cb -0.15 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 3dwh s VAL 536 CO -0.00 0.53 0.07 -0.13 0.00 0.00 0.00 175.10 175.57 3dwh s ARG 537 N 0.03 3.69 0.08 2.72 0.52 -0.29 -0.77 118.95 124.93 3dwh s ARG 537 Ca -0.02 -0.30 0.03 0.00 -0.52 0.00 0.00 55.73 54.93 3dwh s ARG 537 Cb -0.14 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 3dwh s ARG 537 CO 0.03 0.47 0.05 1.21 0.02 0.00 0.00 175.30 177.08 3dwh s ASN 538 N -0.17 5.36 0.48 0.23 3.84 -0.24 -1.15 114.94 123.29 3dwh s ASN 538 Ca 0.08 -0.06 0.27 0.00 0.21 0.00 0.00 52.86 53.36 3dwh s ASN 538 Cb -0.12 -1.39 1.33 0.00 -0.55 0.00 0.00 41.25 40.51 3dwh s ASN 538 CO 0.01 0.18 1.82 1.62 -2.79 0.00 0.00 177.10 177.94 3dwh h VAL 539 N 2.71 0.51 0.00 -5.21 3.04 -1.38 -2.08 116.25 113.85 3dwh h VAL 539 Ca -0.47 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 3dwh h VAL 539 Cb 1.16 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 3dwh h VAL 539 CO 0.64 0.03 0.00 0.29 -1.01 0.00 0.00 177.57 177.52 3dwh n LYS 540 N -4.40 0.19 -0.02 4.17 5.02 -1.26 -1.88 118.16 119.99 3dwh n LYS 540 Ca 0.23 0.49 0.12 0.00 -2.02 0.00 0.00 58.31 57.13 3dwh n LYS 540 Cb 0.99 -1.91 0.62 0.00 -0.02 0.00 0.00 35.03 34.71 3dwh n LYS 540 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dwh n GLY 541 N -0.34 -0.63 0.36 0.72 0.00 -0.78 -4.01 105.19 100.51 3dwh n GLY 541 Ca 0.01 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.83 3dwh n GLY 541 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dwh h GLY 542 N 5.16 1.53 0.19 -0.02 0.00 -1.58 -2.17 103.07 106.18 3dwh h GLY 542 Ca 0.00 -0.44 0.14 0.00 0.00 0.00 0.00 47.33 47.03 3dwh h GLY 542 CO 0.00 0.26 0.35 1.70 0.00 0.00 0.00 176.54 178.84 3dwh h LYS 543 N 1.07 0.49 -0.37 4.80 3.64 -1.86 -2.37 116.57 121.98 3dwh h LYS 543 Ca 0.45 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 3dwh h LYS 543 Cb 0.29 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3dwh h LYS 543 CO -0.21 0.33 0.00 0.09 -2.27 0.00 0.00 179.45 177.39 3dwh n ASN 544 N -4.95 4.21 -3.59 4.20 5.03 -1.12 -4.91 115.26 114.13 3dwh n ASN 544 Ca 0.15 -2.82 -0.11 0.00 0.87 0.00 0.00 54.58 52.67 3dwh n ASN 544 Cb 0.42 -0.54 -0.11 0.00 -1.02 0.00 0.00 39.78 38.53 3dwh n ASN 544 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3dwh s SER 545 N -1.51 0.15 0.01 6.41 0.15 -0.83 -4.12 113.70 113.96 3dwh s SER 545 Ca 0.43 0.63 0.15 0.00 0.70 0.00 0.00 55.95 57.86 3dwh s SER 545 Cb 0.33 1.03 0.64 0.00 -1.71 0.00 0.00 66.02 66.31 3dwh s SER 545 CO 0.13 -0.25 1.48 2.29 1.20 0.00 0.00 173.24 178.08 3dwh n LYS 546 N 5.37 0.01 0.03 5.44 2.85 -1.26 -3.28 118.16 127.32 3dwh n LYS 546 Ca -0.07 0.25 0.11 0.00 -1.05 0.00 0.00 58.31 57.56 3dwh n LYS 546 Cb 0.50 -1.52 -0.03 0.00 -0.65 0.00 0.00 35.03 33.33 3dwh n LYS 546 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3dwh n TYR 547 N -1.53 0.35 -1.68 5.58 4.01 -1.26 -4.94 117.16 117.69 3dwh n TYR 547 Ca 0.03 0.10 -0.43 0.00 -0.16 0.00 0.00 57.90 57.45 3dwh n TYR 547 Cb 0.17 -0.54 -0.01 0.00 -0.31 0.00 0.00 39.34 38.66 3dwh n TYR 547 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dwh n ALA 548 N -1.98 1.01 -1.49 -0.72 0.00 -1.20 -4.95 120.51 111.17 3dwh n ALA 548 Ca 0.00 0.36 -0.34 0.00 0.00 0.00 0.00 53.44 53.46 3dwh n ALA 548 Cb 0.48 -2.21 0.06 0.00 0.00 0.00 0.00 19.45 17.78 3dwh n ALA 548 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3dwh s PRO 549 N -1.84 2.58 0.27 0.00 0.04 -1.26 -4.91 135.00 129.89 3dwh s PRO 549 Ca 0.56 1.61 0.25 0.00 0.04 0.00 0.00 61.00 63.46 3dwh s PRO 549 Cb -0.59 -1.90 0.91 0.00 0.04 0.00 0.00 34.50 32.96 3dwh s PRO 549 CO 0.62 -1.46 1.75 0.00 0.04 0.00 0.00 177.00 177.95 3dwh h ALA 550 N 0.08 1.00 -2.78 8.56 0.00 -1.93 -3.37 119.26 120.81 3dwh h ALA 550 Ca -0.48 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 3dwh h ALA 550 Cb 1.27 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.83 3dwh h ALA 550 CO 0.53 0.00 -0.32 -2.00 0.00 0.00 0.00 179.25 177.46 3dwh s GLU 551 N -3.25 0.49 7.07 0.00 2.12 -1.26 -4.97 118.70 118.90 3dwh s GLU 551 Ca 0.07 0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.58 3dwh s GLU 551 Cb 0.10 0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.72 3dwh s GLU 551 CO 0.50 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 3dwh n GLY 552 N 2.26 3.02 2.99 -1.50 0.00 -1.26 -4.75 105.19 105.96 3dwh n GLY 552 Ca -0.16 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 3dwh n GLY 552 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dwh s ASN 553 N -4.00 0.00 -0.02 1.61 0.01 0.25 -1.35 114.94 111.44 3dwh s ASN 553 Ca 0.00 -0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.11 3dwh s ASN 553 Cb 0.00 0.16 0.02 0.00 0.41 0.00 0.00 41.25 41.84 3dwh s ASN 553 CO 0.00 -0.15 0.01 -0.60 -1.51 0.00 0.00 177.10 174.85 3dwh s ARG 554 N -0.55 0.10 -0.23 -0.60 3.52 -0.30 -0.96 118.95 119.94 3dwh s ARG 554 Ca -0.06 0.08 -0.26 0.00 -0.13 0.00 0.00 55.73 55.36 3dwh s ARG 554 Cb -0.04 -0.26 -0.00 0.00 -1.56 0.00 0.00 34.95 33.09 3dwh s ARG 554 CO 0.00 -0.10 0.90 -0.47 -0.81 0.00 0.00 175.30 174.82 3dwh s TYR 555 N 0.70 3.33 -1.46 5.12 5.04 0.05 -1.14 117.35 129.00 3dwh s TYR 555 Ca -0.06 1.26 0.13 0.00 -2.44 0.00 0.00 57.07 55.95 3dwh s TYR 555 Cb -0.09 -3.12 0.07 0.00 0.35 0.00 0.00 41.96 39.17 3dwh s TYR 555 CO -0.02 -0.41 0.85 -0.25 -1.34 0.00 0.00 175.55 174.38 3dwh n ASP 556 N 6.03 1.84 0.00 4.32 8.00 -0.34 -0.50 116.55 135.90 3dwh n ASP 556 Ca 0.08 -1.42 0.00 0.00 0.71 0.00 0.00 54.79 54.16 3dwh n ASP 556 Cb 0.47 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 3dwh n ASP 556 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dwh n GLY 557 N 0.83 -0.78 3.77 0.44 0.00 -1.24 -4.73 105.19 103.48 3dwh n GLY 557 Ca 0.07 -2.20 -0.38 0.00 0.00 0.00 0.00 46.02 43.50 3dwh n GLY 557 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dwh s ILE 558 N -0.16 5.02 0.23 -0.61 -1.09 -1.26 -1.35 121.20 121.99 3dwh s ILE 558 Ca 0.00 1.02 0.06 0.00 -2.23 0.00 0.00 60.65 59.50 3dwh s ILE 558 Cb 0.00 -3.82 -0.05 0.00 -1.58 0.00 0.00 42.46 37.01 3dwh s ILE 558 CO 0.00 0.45 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.77 3dwh s TYR 559 N -0.26 1.68 0.06 3.97 2.02 -0.07 -0.74 117.35 124.01 3dwh s TYR 559 Ca 0.27 -0.72 0.05 0.00 -0.37 0.00 0.00 57.07 56.29 3dwh s TYR 559 Cb -0.17 -0.90 -0.03 0.00 -0.40 0.00 0.00 41.96 40.47 3dwh s TYR 559 CO 0.14 0.20 -0.14 0.15 -1.57 0.00 0.00 175.55 174.33 3dwh s LYS 560 N -3.74 0.83 -0.30 -0.62 3.01 0.68 -0.32 119.74 119.28 3dwh s LYS 560 Ca 0.25 -0.85 -0.25 0.00 -1.01 0.00 0.00 55.97 54.11 3dwh s LYS 560 Cb 0.03 -0.82 0.00 0.00 -1.01 0.00 0.00 37.83 36.03 3dwh s LYS 560 CO 0.08 0.19 0.87 0.08 0.51 0.00 0.00 175.35 177.08 3dwh s VAL 561 N -1.10 4.72 -0.08 3.17 1.01 -1.26 -0.89 120.40 125.97 3dwh s VAL 561 Ca -0.01 1.37 -0.21 0.00 0.00 0.00 0.00 61.98 63.14 3dwh s VAL 561 Cb -0.09 -4.22 -0.29 0.00 0.00 0.00 0.00 36.38 31.78 3dwh s VAL 561 CO 0.02 -0.29 0.74 0.58 0.00 0.00 0.00 175.10 176.15 3dwh h VAL 562 N 5.61 1.36 -3.02 2.92 2.07 -0.49 -3.40 116.25 121.31 3dwh h VAL 562 Ca -0.23 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 64.83 3dwh h VAL 562 Cb 1.09 3.02 -0.10 0.00 -1.52 0.00 0.00 31.29 33.77 3dwh h VAL 562 CO 0.92 0.68 0.21 -1.59 0.02 0.00 0.00 177.57 177.81 3dwh s LYS 563 N -2.42 1.42 0.08 1.57 -2.85 -1.15 -1.13 119.74 115.26 3dwh s LYS 563 Ca -0.17 -0.63 -0.13 0.00 -1.00 0.00 0.00 55.97 54.04 3dwh s LYS 563 Cb 0.02 0.59 0.02 0.00 -2.06 0.00 0.00 37.83 36.40 3dwh s LYS 563 CO 0.79 -0.63 0.29 1.52 0.10 0.00 0.00 175.35 177.42 3dwh s TYR 564 N -3.80 -0.05 -0.16 1.78 -0.85 -0.56 -0.71 117.35 113.00 3dwh s TYR 564 Ca 0.04 -0.22 -0.30 0.00 -0.52 0.00 0.00 57.07 56.07 3dwh s TYR 564 Cb -0.02 0.09 0.12 0.00 0.38 0.00 0.00 41.96 42.53 3dwh s TYR 564 CO -0.07 -0.57 0.98 1.67 -1.52 0.00 0.00 175.55 176.05 3dwh s TRP 565 N -3.27 -0.38 0.17 -3.49 -2.14 -0.42 -1.76 118.94 107.64 3dwh s TRP 565 Ca 0.00 0.65 -0.07 0.00 2.66 0.00 0.00 56.10 59.34 3dwh s TRP 565 Cb 0.02 0.45 -0.06 0.00 -3.10 0.00 0.00 33.47 30.77 3dwh s TRP 565 CO -0.08 -0.35 0.44 -1.25 -2.66 0.00 0.00 176.95 173.05 3dwh s PRO 566 N -1.10 3.70 0.15 3.25 0.04 -1.26 -0.78 135.00 138.99 3dwh s PRO 566 Ca -0.02 0.07 -0.14 0.00 0.04 0.00 0.00 61.00 60.95 3dwh s PRO 566 Cb -0.00 -2.79 0.02 0.00 0.04 0.00 0.00 34.50 31.76 3dwh s PRO 566 CO 0.02 0.42 0.39 -1.83 0.04 0.00 0.00 177.00 176.05 3dwh s GLU 567 N -2.63 1.16 0.14 4.56 -1.05 -0.47 -4.96 118.70 115.45 3dwh s GLU 567 Ca 0.42 -0.87 -0.31 0.00 -0.15 0.00 0.00 54.97 54.06 3dwh s GLU 567 Cb -0.12 0.45 -0.09 0.00 -0.44 0.00 0.00 34.13 33.93 3dwh s GLU 567 CO 0.23 -0.46 1.51 0.21 0.95 0.00 0.00 175.26 177.70 3dwh s LYS 568 N -3.86 4.25 0.75 -4.83 2.36 -1.26 -0.35 119.74 116.80 3dwh s LYS 568 Ca 0.08 2.26 -0.05 0.00 -2.55 0.00 0.00 55.97 55.71 3dwh s LYS 568 Cb 0.02 -3.21 0.12 0.00 -1.05 0.00 0.00 37.83 33.71 3dwh s LYS 568 CO -0.07 -0.56 1.05 0.20 1.55 0.00 0.00 175.35 177.52 3dwh s GLY 569 N 1.20 1.76 0.34 5.54 0.00 0.15 -4.83 107.32 111.48 3dwh s GLY 569 Ca 0.68 -1.47 0.08 0.00 0.00 0.00 0.00 44.72 44.01 3dwh s GLY 569 CO 0.31 -0.91 1.85 0.07 0.00 0.00 0.00 173.10 174.42 3dwh h LYS 570 N -0.71 0.70 0.00 2.90 2.10 -1.95 0.14 116.57 119.75 3dwh h LYS 570 Ca -0.40 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.21 3dwh h LYS 570 Cb 1.27 -0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 32.44 3dwh h LYS 570 CO 0.44 0.46 -0.00 0.66 -2.00 0.00 0.00 179.45 179.01 3dwh h SER 571 N 0.72 0.00 0.00 7.07 4.64 -2.02 -3.46 113.55 120.50 3dwh h SER 571 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3dwh h SER 571 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3dwh h SER 571 CO -0.23 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.34 3dwh n GLY 572 N -0.58 1.38 3.94 -0.77 0.00 0.50 -4.98 105.19 104.68 3dwh n GLY 572 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 3dwh n GLY 572 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dwh s PHE 573 N -2.32 3.49 0.20 1.61 0.08 -1.26 -4.61 117.98 115.17 3dwh s PHE 573 Ca 0.00 0.39 -0.30 0.00 0.12 0.00 0.00 56.93 57.15 3dwh s PHE 573 Cb 0.00 -1.96 -0.08 0.00 -0.57 0.00 0.00 43.02 40.40 3dwh s PHE 573 CO 0.00 0.05 1.19 -0.51 -0.10 0.00 0.00 175.22 175.85 3dwh s LEU 574 N -4.38 4.46 0.12 -0.37 1.43 -1.26 0.31 118.68 118.99 3dwh s LEU 574 Ca 0.41 2.24 0.09 0.00 -1.03 0.00 0.00 54.13 55.85 3dwh s LEU 574 Cb -0.10 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 3dwh s LEU 574 CO 0.37 -0.35 -0.23 0.68 0.23 0.00 0.00 176.35 177.05 3dwh s VAL 575 N -0.18 1.93 -0.01 -1.59 -7.23 0.53 -0.18 120.40 113.68 3dwh s VAL 575 Ca 0.52 -1.67 -0.23 0.00 -1.81 0.00 0.00 61.98 58.79 3dwh s VAL 575 Cb -0.33 -1.75 -0.05 0.00 0.56 0.00 0.00 36.38 34.81 3dwh s VAL 575 CO 0.37 -0.04 0.70 0.26 -0.31 0.00 0.00 175.10 176.09 3dwh s TRP 576 N -1.23 3.67 0.13 2.82 0.52 -1.26 -1.37 118.94 122.23 3dwh s TRP 576 Ca 0.10 1.33 0.10 0.00 0.02 0.00 0.00 56.10 57.66 3dwh s TRP 576 Cb -0.10 -2.77 -0.04 0.00 -1.15 0.00 0.00 33.47 29.42 3dwh s TRP 576 CO 0.05 0.23 -0.24 1.03 0.02 0.00 0.00 176.95 178.04 3dwh s ARG 577 N 0.22 1.54 -0.01 4.98 1.81 0.04 0.49 118.95 128.00 3dwh s ARG 577 Ca 0.36 -1.32 0.02 0.00 -1.72 0.00 0.00 55.73 53.07 3dwh s ARG 577 Cb -0.19 -1.96 -0.00 0.00 -0.45 0.00 0.00 34.95 32.35 3dwh s ARG 577 CO 0.20 0.45 -0.06 0.71 -0.68 0.00 0.00 175.30 175.92 3dwh s TYR 578 N -1.17 0.59 -0.22 -0.53 2.02 0.17 -1.30 117.35 116.92 3dwh s TYR 578 Ca 0.16 -0.12 -0.06 0.00 -0.37 0.00 0.00 57.07 56.69 3dwh s TYR 578 Cb -0.10 -0.41 -0.02 0.00 -0.40 0.00 0.00 41.96 41.03 3dwh s TYR 578 CO 0.08 -0.04 0.02 -1.17 -1.57 0.00 0.00 175.55 172.87 3dwh s LEU 579 N 0.02 3.28 0.03 -1.29 2.96 0.12 -1.36 118.68 122.44 3dwh s LEU 579 Ca 0.00 -0.22 0.06 0.00 -0.22 0.00 0.00 54.13 53.75 3dwh s LEU 579 Cb -0.04 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 3dwh s LEU 579 CO -0.00 0.03 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.14 3dwh s LEU 580 N 1.23 2.74 0.03 -0.68 1.02 -0.35 0.31 118.68 122.98 3dwh s LEU 580 Ca 0.04 -0.37 0.05 0.00 0.02 0.00 0.00 54.13 53.87 3dwh s LEU 580 Cb -0.15 -1.59 -0.02 0.00 0.02 0.00 0.00 46.19 44.46 3dwh s LEU 580 CO 0.02 0.26 -0.16 -0.13 0.02 0.00 0.00 176.35 176.36 3dwh s ARG 581 N -1.45 1.10 0.34 1.70 0.52 -0.07 -1.72 118.95 119.38 3dwh s ARG 581 Ca 0.15 -0.73 -0.28 0.00 -0.52 0.00 0.00 55.73 54.35 3dwh s ARG 581 Cb -0.11 -1.12 -0.10 0.00 0.52 0.00 0.00 34.95 34.15 3dwh s ARG 581 CO 0.06 0.29 1.21 0.50 0.02 0.00 0.00 175.30 177.38 3dwh s ARG 582 N -0.93 4.33 -0.47 3.54 3.52 0.36 -0.23 118.95 129.07 3dwh s ARG 582 Ca 0.04 2.00 0.06 0.00 -0.13 0.00 0.00 55.73 57.70 3dwh s ARG 582 Cb -0.07 -2.98 0.18 0.00 -1.56 0.00 0.00 34.95 30.51 3dwh s ARG 582 CO 0.01 -0.13 0.56 0.34 -0.81 0.00 0.00 175.30 175.27 3dwh s ASP 583 N -0.78 -0.21 -0.09 -2.12 2.15 0.09 -4.87 116.67 110.84 3dwh s ASP 583 Ca 0.50 -2.21 -0.04 0.00 0.43 0.00 0.00 52.55 51.23 3dwh s ASP 583 Cb -0.35 0.93 0.05 0.00 -0.30 0.00 0.00 42.92 43.24 3dwh s ASP 583 CO 0.46 -0.11 0.20 -0.62 -0.17 0.00 0.00 175.17 174.92 3dwh s ASP 584 N 0.62 0.05 0.59 -0.34 -1.08 -1.25 -4.64 116.67 110.62 3dwh s ASP 584 Ca 0.30 0.42 0.30 0.00 -0.52 0.00 0.00 52.55 53.05 3dwh s ASP 584 Cb 0.00 0.35 1.82 0.00 -1.46 0.00 0.00 42.92 43.64 3dwh s ASP 584 CO -0.11 -0.18 2.25 0.44 0.52 0.00 0.00 175.17 178.09 3dwh h ASP 585 N 7.57 0.00 -3.38 -0.34 3.32 -2.00 -3.41 116.42 118.18 3dwh h ASP 585 Ca -0.33 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.17 3dwh h ASP 585 Cb 1.14 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 3dwh h ASP 585 CO 0.32 0.01 0.31 -1.61 -1.72 0.00 0.00 179.24 176.55 3dwh s GLU 586 N -4.60 4.51 0.85 3.56 2.02 -1.26 -5.03 118.70 118.74 3dwh s GLU 586 Ca -0.05 1.26 -0.11 0.00 0.02 0.00 0.00 54.97 56.10 3dwh s GLU 586 Cb 0.15 -3.47 0.11 0.00 0.10 0.00 0.00 34.13 31.02 3dwh s GLU 586 CO 0.55 -0.05 1.13 -1.25 0.02 0.00 0.00 175.26 175.66 3dwh s PRO 587 N 1.07 1.53 0.45 0.39 0.04 -1.26 -4.94 135.00 132.28 3dwh s PRO 587 Ca 0.47 1.45 -0.25 0.00 0.04 0.00 0.00 61.00 62.71 3dwh s PRO 587 Cb -0.20 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 3dwh s PRO 587 CO 0.24 -2.23 1.41 0.20 0.04 0.00 0.00 177.00 176.66 3dwh s GLY 588 N -2.84 2.92 0.60 0.56 0.00 -1.26 -4.62 107.32 102.67 3dwh s GLY 588 Ca 0.66 1.43 0.38 0.00 0.00 0.00 0.00 44.72 47.19 3dwh s GLY 588 CO 0.56 2.04 2.15 -0.56 0.00 0.00 0.00 173.10 177.29 3dwh h PRO 589 N 2.29 0.00 0.00 2.90 0.13 -1.88 -2.26 132.00 133.18 3dwh h PRO 589 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3dwh h PRO 589 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3dwh h PRO 589 CO 0.61 0.00 -0.07 -2.67 -0.23 0.00 0.00 178.00 175.63 3dwh n TRP 590 N -3.08 0.33 -2.34 1.56 2.14 -1.26 -3.50 117.44 111.29 3dwh n TRP 590 Ca -0.01 0.10 -0.33 0.00 2.07 0.00 0.00 57.50 59.33 3dwh n TRP 590 Cb 0.21 -0.63 -0.02 0.00 -0.81 0.00 0.00 31.31 30.05 3dwh n TRP 590 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 3dwh s THR 591 N -3.04 4.05 0.21 -1.67 -4.23 -0.85 -4.86 115.64 105.25 3dwh s THR 591 Ca 0.12 1.08 -0.12 0.00 -1.18 0.00 0.00 61.69 61.59 3dwh s THR 591 Cb 0.16 -3.51 0.20 0.00 1.34 0.00 0.00 72.50 70.69 3dwh s THR 591 CO 0.58 -0.47 1.66 0.50 -0.54 0.00 0.00 174.62 176.34 3dwh h LYS 592 N 0.99 0.08 -0.79 3.99 3.11 -1.90 0.21 116.57 122.26 3dwh h LYS 592 Ca -0.48 -0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.33 3dwh h LYS 592 Cb 1.21 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 32.38 3dwh h LYS 592 CO 0.59 0.05 0.40 1.49 -2.81 0.00 0.00 179.45 179.17 3dwh h GLU 593 N 0.08 1.12 -0.37 1.90 4.81 -1.93 0.36 114.58 120.54 3dwh h GLU 593 Ca 0.31 -0.15 -0.13 0.00 -0.13 0.00 0.00 59.36 59.26 3dwh h GLU 593 Cb 0.49 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3dwh h GLU 593 CO -0.54 0.85 -0.29 0.78 -0.73 0.00 0.00 179.01 179.08 3dwh h GLY 594 N 1.15 0.87 1.03 1.92 0.00 -1.40 -2.26 103.07 104.37 3dwh h GLY 594 Ca 0.28 -0.80 -0.10 0.00 0.00 0.00 0.00 47.33 46.71 3dwh h GLY 594 CO -0.04 0.72 -0.08 0.50 0.00 0.00 0.00 176.54 177.64 3dwh h LYS 595 N 0.68 0.88 -0.62 4.80 1.57 -0.19 -1.75 116.57 121.95 3dwh h LYS 595 Ca 0.08 -0.32 0.11 0.00 -1.87 0.00 0.00 60.65 58.65 3dwh h LYS 595 Cb 0.82 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.99 3dwh h LYS 595 CO 0.07 0.97 0.17 -0.44 -0.57 0.00 0.00 179.45 179.64 3dwh h ASP 596 N 0.73 0.08 -0.67 0.86 3.32 -0.87 -1.03 116.42 118.83 3dwh h ASP 596 Ca 0.12 0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 3dwh h ASP 596 Cb 0.62 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 3dwh h ASP 596 CO 0.04 0.05 0.20 0.03 -1.72 0.00 0.00 179.24 177.83 3dwh h ARG 597 N 0.31 1.06 -0.89 3.56 3.08 -1.14 -0.19 114.38 120.16 3dwh h ARG 597 Ca 0.32 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3dwh h ARG 597 Cb 0.47 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 3dwh h ARG 597 CO -0.38 0.92 0.56 0.82 -1.07 0.00 0.00 179.97 180.83 3dwh h ILE 598 N 0.99 1.24 -0.03 2.04 2.04 -0.88 0.13 117.51 123.04 3dwh h ILE 598 Ca 0.22 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3dwh h ILE 598 Cb 0.32 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3dwh h ILE 598 CO -0.00 0.24 -0.01 0.50 0.00 0.00 0.00 178.15 178.88 3dwh h LYS 599 N 1.22 0.05 -0.83 2.37 1.63 -1.04 0.73 116.57 120.70 3dwh h LYS 599 Ca 0.32 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 60.13 3dwh h LYS 599 Cb -0.09 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.49 3dwh h LYS 599 CO -0.07 0.43 0.53 -0.22 -3.45 0.00 0.00 179.45 176.68 3dwh h LYS 600 N -0.33 1.01 -0.00 1.90 3.11 -0.73 -2.42 116.57 119.10 3dwh h LYS 600 Ca 0.01 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 3dwh h LYS 600 Cb 0.41 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.42 3dwh h LYS 600 CO 0.00 0.67 -0.26 1.28 -2.81 0.00 0.00 179.45 178.33 3dwh n LEU 601 N -4.57 0.40 -3.35 5.20 4.77 0.43 -4.94 117.00 114.94 3dwh n LEU 601 Ca 0.10 0.11 -0.21 0.00 -0.03 0.00 0.00 56.01 55.98 3dwh n LEU 601 Cb 0.08 -0.29 0.08 0.00 -2.33 0.00 0.00 43.42 40.96 3dwh n LEU 601 CO 0.34 0.09 0.21 0.61 -1.33 0.00 0.00 177.39 177.31 3dwh n GLY 602 N 1.44 -0.42 3.73 -0.72 0.00 -0.57 -4.97 105.19 103.68 3dwh n GLY 602 Ca 0.08 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 3dwh n GLY 602 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dwh s LEU 603 N -6.72 4.41 0.06 0.99 1.43 0.15 -5.03 118.68 113.97 3dwh s LEU 603 Ca 0.46 2.20 -0.05 0.00 -1.03 0.00 0.00 54.13 55.70 3dwh s LEU 603 Cb -0.20 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.41 3dwh s LEU 603 CO 0.68 -0.45 0.09 0.28 0.23 0.00 0.00 176.35 177.18 3dwh s THR 604 N 0.41 0.16 -0.33 5.49 -1.32 -1.26 -4.82 115.64 113.97 3dwh s THR 604 Ca 0.56 -1.29 -0.41 0.00 -1.21 0.00 0.00 61.69 59.34 3dwh s THR 604 Cb -0.33 -1.18 -0.16 0.00 -1.51 0.00 0.00 72.50 69.32 3dwh s THR 604 CO 0.34 -0.71 1.75 0.80 -2.21 0.00 0.00 174.62 174.59 3dwh n MET 605 N 0.37 0.92 -3.24 7.08 1.56 -1.26 -4.49 117.12 118.05 3dwh n MET 605 Ca -0.17 0.33 -0.40 0.00 -0.27 0.00 0.00 57.70 57.20 3dwh n MET 605 Cb 0.60 -2.00 -0.08 0.00 2.15 0.00 0.00 33.22 33.90 3dwh n MET 605 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3dwh s GLN 606 N 3.67 4.08 -0.02 2.12 -0.21 -0.98 -4.94 119.66 123.37 3dwh s GLN 606 Ca 1.01 0.32 0.01 0.00 0.02 0.00 0.00 55.36 56.71 3dwh s GLN 606 Cb -1.15 -3.64 -0.04 0.00 1.00 0.00 0.00 33.01 29.18 3dwh s GLN 606 CO 0.68 -0.33 0.00 0.71 -2.12 0.00 0.00 175.29 174.24 3dwh s TYR 607 N 2.23 3.10 0.76 0.91 2.02 -1.26 -1.30 117.35 123.81 3dwh s TYR 607 Ca 0.21 0.11 -0.13 0.00 -0.37 0.00 0.00 57.07 56.88 3dwh s TYR 607 Cb -0.16 -1.70 0.06 0.00 -0.40 0.00 0.00 41.96 39.77 3dwh s TYR 607 CO 0.09 0.46 1.17 -1.25 -1.57 0.00 0.00 175.55 174.45 3dwh s PRO 608 N -1.43 2.01 -0.18 -1.71 0.04 -1.26 -4.89 135.00 127.58 3dwh s PRO 608 Ca 0.18 1.60 -0.38 0.00 0.04 0.00 0.00 61.00 62.44 3dwh s PRO 608 Cb -0.11 -1.84 -0.14 0.00 0.04 0.00 0.00 34.50 32.45 3dwh s PRO 608 CO 0.09 -1.90 1.77 -1.91 0.04 0.00 0.00 177.00 175.09 3dwh n GLU 609 N -3.08 1.53 -0.41 4.56 2.13 -1.26 -2.32 120.64 121.80 3dwh n GLU 609 Ca 0.12 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.50 3dwh n GLU 609 Cb 0.51 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.92 3dwh n GLU 609 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dwh n GLY 610 N 4.16 1.15 0.21 8.31 0.00 0.01 -4.82 105.19 114.21 3dwh n GLY 610 Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 3dwh n GLY 610 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3dwh h TYR 611 N 0.00 0.76 0.04 1.61 5.03 -1.71 -3.31 116.97 119.39 3dwh h TYR 611 Ca 0.00 -0.18 -0.00 0.00 2.58 0.00 0.00 58.73 61.13 3dwh h TYR 611 Cb 0.00 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.10 3dwh h TYR 611 CO 0.00 0.86 -0.02 -0.07 -1.32 0.00 0.00 178.16 177.61 3dwh h LEU 612 N 0.44 -0.05 -9.91 2.82 3.38 -1.93 -3.43 115.31 106.64 3dwh h LEU 612 Ca 0.08 -0.36 -0.51 0.00 0.09 0.00 0.00 57.88 57.17 3dwh h LEU 612 Cb 0.64 0.01 0.06 0.00 0.09 0.00 0.00 40.66 41.46 3dwh h LEU 612 CO 0.04 0.34 0.56 -1.61 0.09 0.00 0.00 178.44 177.86 3dwh s GLU 613 N -4.62 4.21 0.00 1.13 2.02 -1.25 -5.27 118.70 114.92 3dwh s GLU 613 Ca -0.15 1.99 0.00 0.00 0.02 0.00 0.00 54.97 56.83 3dwh s GLU 613 Cb 0.02 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.38 3dwh s GLU 613 CO 0.65 -0.23 0.00 0.00 0.02 0.00 0.00 175.26 175.70