#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ybw n GLY 395 N -0.11 0.45 3.29 0.00 0.00 0.69 -4.63 105.19 104.87 1ybw n GLY 395 Ca -0.02 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1ybw n GLY 395 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ybw s ARG 396 N -0.39 2.92 0.20 1.61 1.81 -1.26 -1.25 118.95 122.59 1ybw s ARG 396 Ca 0.00 -0.96 -0.30 0.00 -1.72 0.00 0.00 55.73 52.75 1ybw s ARG 396 Cb 0.00 -3.28 -0.09 0.00 -0.45 0.00 0.00 34.95 31.14 1ybw s ARG 396 CO 0.00 -0.48 1.27 -0.98 -0.68 0.00 0.00 175.30 174.43 1ybw s ARG 397 N 1.43 4.43 0.00 3.54 1.70 -1.26 -3.60 118.95 125.18 1ybw s ARG 397 Ca 0.01 2.00 0.00 0.00 -0.47 0.00 0.00 55.73 57.27 1ybw s ARG 397 Cb -0.18 -3.20 0.00 0.00 -0.57 0.00 0.00 34.95 31.00 1ybw s ARG 397 CO 0.01 -0.18 0.00 0.72 -1.08 0.00 0.00 175.30 174.76 1ybw n HIS 398 N 2.45 0.00 -1.86 5.89 8.25 -1.26 -5.04 115.22 123.64 1ybw n HIS 398 Ca 0.05 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.12 1ybw n HIS 398 Cb 0.43 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.56 1ybw n HIS 398 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1ybw s LYS 399 N -0.32 3.59 -1.28 -0.41 1.02 -1.24 -4.64 119.74 116.47 1ybw s LYS 399 Ca 0.00 2.29 -0.15 0.00 0.02 0.00 0.00 55.97 58.13 1ybw s LYS 399 Cb 0.00 -2.55 0.12 0.00 -0.52 0.00 0.00 37.83 34.87 1ybw s LYS 399 CO 0.00 -0.85 1.66 1.63 -0.92 0.00 0.00 175.35 176.88 1ybw n LYS 400 N -0.38 3.27 0.00 1.68 5.02 -1.26 -3.01 118.16 123.49 1ybw n LYS 400 Ca 0.06 -3.48 0.00 0.00 -2.02 0.00 0.00 58.31 52.88 1ybw n LYS 400 Cb 0.43 -3.26 0.00 0.00 -0.02 0.00 0.00 35.03 32.18 1ybw n LYS 400 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1ybw n ILE 408 N 5.36 0.00 -4.17 -0.18 2.08 0.08 -4.13 119.36 118.40 1ybw n ILE 408 Ca 0.44 0.00 -0.23 0.00 0.56 0.00 0.00 62.75 63.52 1ybw n ILE 408 Cb 0.43 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.27 1ybw n ILE 408 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1ybw s ILE 409 N 0.00 4.11 -0.32 1.39 -4.36 -0.77 -4.16 121.20 117.10 1ybw s ILE 409 Ca 0.00 -1.51 0.00 0.00 -0.26 0.00 0.00 60.65 58.88 1ybw s ILE 409 Cb 0.00 -3.19 0.00 0.00 1.25 0.00 0.00 42.46 40.52 1ybw s ILE 409 CO 0.00 -0.31 0.00 0.61 0.24 0.00 0.00 174.94 175.48 1ybw n GLY 410 N -0.92 0.45 3.49 6.27 0.00 -1.21 -3.02 105.19 110.24 1ybw n GLY 410 Ca -0.08 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 1ybw n GLY 410 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ybw n GLY 411 N -0.55 2.96 3.59 -0.02 0.00 -1.26 -4.50 105.19 105.41 1ybw n GLY 411 Ca -0.03 -2.31 -0.27 0.00 0.00 0.00 0.00 46.02 43.41 1ybw n GLY 411 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ybw s SER 412 N -3.89 3.42 -0.13 1.61 1.04 0.08 -4.88 113.70 110.94 1ybw s SER 412 Ca 0.22 -1.45 -0.29 0.00 0.48 0.00 0.00 55.95 54.91 1ybw s SER 412 Cb -0.02 -0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.01 1ybw s SER 412 CO 0.14 -0.60 1.19 -0.55 0.98 0.00 0.00 173.24 174.40 1ybw s SER 413 N -3.67 7.02 0.50 7.02 0.15 -1.26 -0.70 113.70 122.77 1ybw s SER 413 Ca 0.29 1.68 -0.18 0.00 0.70 0.00 0.00 55.95 58.45 1ybw s SER 413 Cb 0.08 -2.55 -0.08 0.00 -1.71 0.00 0.00 66.02 61.76 1ybw s SER 413 CO 0.14 -0.66 0.98 -0.94 1.20 0.00 0.00 173.24 173.96 1ybw s SER 414 N 1.64 6.63 0.36 5.45 1.04 -0.54 -4.91 113.70 123.37 1ybw s SER 414 Ca 0.53 1.62 -0.25 0.00 0.48 0.00 0.00 55.95 58.33 1ybw s SER 414 Cb -0.22 -2.52 -0.09 0.00 0.10 0.00 0.00 66.02 63.29 1ybw s SER 414 CO 0.16 -0.58 1.04 -0.76 0.98 0.00 0.00 173.24 174.08 1ybw s LEU 415 N -3.90 4.25 0.28 2.42 1.43 -1.26 -4.84 118.68 117.06 1ybw s LEU 415 Ca 0.60 2.05 -0.30 0.00 -1.03 0.00 0.00 54.13 55.45 1ybw s LEU 415 Cb -0.10 -4.05 -0.13 0.00 0.03 0.00 0.00 46.19 41.93 1ybw s LEU 415 CO 0.27 -0.36 1.27 -2.65 0.23 0.00 0.00 176.35 175.12 1ybw n PRO 416 N 0.27 1.85 -0.97 1.29 -0.02 -1.26 -1.71 135.00 134.45 1ybw n PRO 416 Ca 0.03 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1ybw n PRO 416 Cb 0.49 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1ybw n PRO 416 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ybw n GLY 417 N 1.52 0.85 0.14 -1.23 0.00 -1.26 -4.90 105.19 100.30 1ybw n GLY 417 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1ybw n GLY 417 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ybw h SER 418 N 0.00 0.00 -2.07 1.61 0.02 -1.69 -3.35 113.55 108.07 1ybw h SER 418 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 1ybw h SER 418 Cb 0.00 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.15 1ybw h SER 418 CO 0.00 0.00 -1.08 1.41 -1.14 0.00 0.00 176.83 176.02 1ybw n HIS 419 N -2.35 -0.38 0.36 3.45 8.25 -1.26 -4.93 115.22 118.36 1ybw n HIS 419 Ca 0.03 -3.53 0.12 0.00 -0.26 0.00 0.00 57.72 54.08 1ybw n HIS 419 Cb 0.31 -0.25 0.52 0.00 1.12 0.00 0.00 29.99 31.69 1ybw n HIS 419 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1ybw n PRO 420 N 1.64 0.20 0.03 -0.41 -0.04 -1.26 -2.69 135.00 132.47 1ybw n PRO 420 Ca 0.23 0.46 0.11 0.00 -0.04 0.00 0.00 63.50 64.26 1ybw n PRO 420 Cb 0.52 -1.91 -0.02 0.00 -0.04 0.00 0.00 33.50 32.04 1ybw n PRO 420 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ybw n TRP 421 N -2.29 0.28 -2.08 0.54 2.14 -0.84 -1.65 117.44 113.53 1ybw n TRP 421 Ca 0.02 0.08 -0.42 0.00 2.07 0.00 0.00 57.50 59.24 1ybw n TRP 421 Cb 0.21 -0.47 -0.03 0.00 -0.81 0.00 0.00 31.31 30.21 1ybw n TRP 421 CO 0.00 0.00 0.00 -1.17 2.07 0.00 0.00 177.69 178.59 1ybw s LEU 422 N -4.11 4.34 0.09 5.67 2.96 -1.10 0.97 118.68 127.50 1ybw s LEU 422 Ca 0.02 2.30 0.04 0.00 -0.22 0.00 0.00 54.13 56.27 1ybw s LEU 422 Cb 0.14 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 1ybw s LEU 422 CO 0.82 -0.79 0.01 0.00 -1.32 0.00 0.00 176.35 175.07 1ybw s ALA 423 N 2.45 3.33 -0.32 5.97 0.00 0.19 -4.38 121.76 128.99 1ybw s ALA 423 Ca 0.68 -1.10 -0.09 0.00 0.00 0.00 0.00 51.96 51.46 1ybw s ALA 423 Cb -0.36 -1.23 0.01 0.00 0.00 0.00 0.00 23.12 21.54 1ybw s ALA 423 CO 0.29 0.71 0.14 0.00 0.00 0.00 0.00 175.76 176.90 1ybw s ALA 424 N -1.31 3.19 -0.31 0.00 0.00 -0.78 -1.63 121.76 120.92 1ybw s ALA 424 Ca 0.26 -1.52 -0.06 0.00 0.00 0.00 0.00 51.96 50.64 1ybw s ALA 424 Cb -0.12 -2.35 0.02 0.00 0.00 0.00 0.00 23.12 20.67 1ybw s ALA 424 CO 0.18 -1.06 0.08 0.42 0.00 0.00 0.00 175.76 175.38 1ybw s ILE 425 N 1.55 3.83 -0.49 0.00 1.01 0.29 -1.01 121.20 126.37 1ybw s ILE 425 Ca 0.03 -0.89 -0.17 0.00 0.00 0.00 0.00 60.65 59.61 1ybw s ILE 425 Cb -0.18 -3.05 0.06 0.00 0.01 0.00 0.00 42.46 39.30 1ybw s ILE 425 CO 0.05 -0.02 0.51 -0.31 0.00 0.00 0.00 174.94 175.17 1ybw s TYR 426 N 1.45 3.14 -0.53 3.97 2.02 0.66 -0.89 117.35 127.17 1ybw s TYR 426 Ca 0.01 -0.72 -0.12 0.00 -0.37 0.00 0.00 57.07 55.87 1ybw s TYR 426 Cb -0.18 -3.35 0.13 0.00 -0.40 0.00 0.00 41.96 38.17 1ybw s TYR 426 CO 0.02 -0.91 0.44 0.42 -1.57 0.00 0.00 175.55 173.95 1ybw s ILE 427 N 2.15 4.69 0.00 2.71 1.01 -0.90 -0.25 121.20 130.60 1ybw s ILE 427 Ca 0.10 -1.76 0.00 0.00 0.00 0.00 0.00 60.65 58.99 1ybw s ILE 427 Cb -0.22 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.22 1ybw s ILE 427 CO 0.09 -0.84 0.00 0.61 0.00 0.00 0.00 174.94 174.81 1ybw n GLY 428 N 4.93 2.76 0.18 6.18 0.00 0.47 -0.94 105.19 118.77 1ybw n GLY 428 Ca -0.08 0.32 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 1ybw n GLY 428 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ybw h ASP 429 N 0.00 0.68 -3.45 1.61 3.58 -1.93 -3.47 116.42 113.44 1ybw h ASP 429 Ca 0.00 -0.62 -0.25 0.00 0.42 0.00 0.00 57.03 56.58 1ybw h ASP 429 Cb 0.00 -0.20 0.09 0.00 1.72 0.00 0.00 39.33 40.94 1ybw h ASP 429 CO 0.00 1.19 0.19 -1.54 -2.88 0.00 0.00 179.24 176.20 1ybw n SER 430 N -4.19 0.25 -3.90 2.28 3.41 -0.12 -5.13 113.62 106.21 1ybw n SER 430 Ca -0.08 -1.37 -0.10 0.00 -0.26 0.00 0.00 58.87 57.06 1ybw n SER 430 Cb 0.61 -0.52 -0.10 0.00 -0.26 0.00 0.00 64.21 63.95 1ybw n SER 430 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1ybw s PHE 431 N -2.37 0.13 0.10 7.33 5.36 -1.26 -2.13 117.98 125.15 1ybw s PHE 431 Ca 0.41 -0.35 -0.25 0.00 -0.96 0.00 0.00 56.93 55.78 1ybw s PHE 431 Cb -0.01 -0.10 0.08 0.00 -0.34 0.00 0.00 43.02 42.64 1ybw s PHE 431 CO 0.28 -0.32 0.73 0.00 -1.46 0.00 0.00 175.22 174.45 1ybw s ALA 433 N -3.50 3.81 0.37 0.00 0.00 -0.13 0.10 121.76 122.42 1ybw s ALA 433 Ca 0.03 -1.50 -0.14 0.00 0.00 0.00 0.00 51.96 50.35 1ybw s ALA 433 Cb -0.01 -0.23 0.06 0.00 0.00 0.00 0.00 23.12 22.94 1ybw s ALA 433 CO -0.11 -0.17 0.75 0.41 0.00 0.00 0.00 175.76 176.64 1ybw n GLY 434 N -1.29 1.04 3.18 0.00 0.00 -0.65 -3.35 105.19 104.12 1ybw n GLY 434 Ca -0.07 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 1ybw n GLY 434 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ybw s SER 435 N -2.94 2.57 -0.33 1.61 0.01 0.34 0.54 113.70 115.49 1ybw s SER 435 Ca 0.15 -0.43 -0.29 0.00 1.31 0.00 0.00 55.95 56.69 1ybw s SER 435 Cb -0.05 -0.81 0.01 0.00 0.21 0.00 0.00 66.02 65.39 1ybw s SER 435 CO 0.11 0.18 1.24 -0.22 0.41 0.00 0.00 173.24 174.95 1ybw s LEU 436 N 0.05 3.85 -0.00 2.44 2.96 0.27 -1.05 118.68 127.21 1ybw s LEU 436 Ca -0.07 1.08 0.13 0.00 -0.22 0.00 0.00 54.13 55.05 1ybw s LEU 436 Cb -0.13 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.87 1ybw s LEU 436 CO 0.04 -1.07 0.53 1.33 -1.32 0.00 0.00 176.35 175.86 1ybw n VAL 437 N 6.23 0.00 -3.57 1.68 0.24 -0.74 -0.82 118.33 121.35 1ybw n VAL 437 Ca 0.14 -0.20 -0.15 0.00 -2.04 0.00 0.00 64.34 62.09 1ybw n VAL 437 Cb 0.47 0.97 -0.06 0.00 -1.47 0.00 0.00 33.84 33.74 1ybw n VAL 437 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1ybw s HIS 438 N -2.23 -0.62 0.19 6.34 5.65 -1.18 -4.77 115.29 118.67 1ybw s HIS 438 Ca 0.04 1.23 0.19 0.00 0.25 0.00 0.00 55.06 56.78 1ybw s HIS 438 Cb 0.10 0.38 1.05 0.00 -1.18 0.00 0.00 32.58 32.93 1ybw s HIS 438 CO 0.52 -0.47 1.53 1.79 -0.65 0.00 0.00 174.74 177.47 1ybw h THR 439 N 3.22 0.00 -0.01 0.89 1.35 -1.94 0.14 112.91 116.56 1ybw h THR 439 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1ybw h THR 439 Cb 1.15 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1ybw h THR 439 CO 0.27 0.00 -0.22 0.00 -0.25 0.00 0.00 175.52 175.31 1ybw s TRP 441 N -1.40 1.15 -0.04 0.00 0.52 0.49 -0.33 118.94 119.32 1ybw s TRP 441 Ca 0.08 -0.27 0.06 0.00 0.02 0.00 0.00 56.10 55.99 1ybw s TRP 441 Cb 0.08 -0.78 -0.02 0.00 -1.15 0.00 0.00 33.47 31.61 1ybw s TRP 441 CO 0.26 -0.08 -0.24 0.08 0.02 0.00 0.00 176.95 177.00 1ybw s VAL 442 N -0.02 2.23 -0.20 4.03 1.01 0.12 -1.79 120.40 125.78 1ybw s VAL 442 Ca -0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 1ybw s VAL 442 Cb -0.08 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 1ybw s VAL 442 CO 0.00 0.58 0.03 -0.69 0.00 0.00 0.00 175.10 175.02 1ybw s VAL 443 N -0.44 4.27 0.04 2.92 1.01 -0.21 0.02 120.40 128.01 1ybw s VAL 443 Ca 0.05 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1ybw s VAL 443 Cb -0.12 -2.93 -0.00 0.00 0.00 0.00 0.00 36.38 33.33 1ybw s VAL 443 CO 0.01 0.43 0.04 -0.24 0.00 0.00 0.00 175.10 175.34 1ybw n SER 444 N 4.07 -0.08 -4.74 3.32 2.88 0.22 -0.51 113.62 118.79 1ybw n SER 444 Ca -0.17 -1.30 -0.38 0.00 -1.33 0.00 0.00 58.87 55.69 1ybw n SER 444 Cb 0.52 0.22 -0.06 0.00 -0.75 0.00 0.00 64.21 64.15 1ybw n SER 444 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ybw s ALA 445 N -2.18 3.46 0.19 -1.46 0.00 -1.26 0.38 121.76 120.89 1ybw s ALA 445 Ca 0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.84 1ybw s ALA 445 Cb 0.00 -2.73 0.19 0.00 0.00 0.00 0.00 23.12 20.59 1ybw s ALA 445 CO 0.04 0.04 1.79 0.00 0.00 0.00 0.00 175.76 177.63 1ybw h ALA 446 N 6.37 0.76 -0.36 0.00 0.00 -1.77 -2.09 119.26 122.18 1ybw h ALA 446 Ca -0.43 0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.61 1ybw h ALA 446 Cb 1.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1ybw h ALA 446 CO 0.73 -0.04 0.38 1.12 0.00 0.00 0.00 179.25 181.44 1ybw h HIS 447 N 0.57 0.00 0.00 0.00 2.07 -1.90 0.61 115.15 116.50 1ybw h HIS 447 Ca 0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.78 1ybw h HIS 447 Cb 0.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.15 1ybw h HIS 447 CO -0.10 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.76 1ybw n PHE 449 N -1.39 0.00 -0.26 0.00 3.01 0.21 -4.85 117.46 114.18 1ybw n PHE 449 Ca 0.03 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.50 1ybw n PHE 449 Cb 0.09 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.61 1ybw n PHE 449 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1ybw n SER 450 N -0.15 -0.38 -0.21 4.37 7.64 -0.90 0.23 113.62 124.23 1ybw n SER 450 Ca 0.00 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1ybw n SER 450 Cb 0.07 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1ybw n SER 450 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ybw n HIS 451 N -5.04 0.00 -2.89 1.43 1.44 -1.26 -4.89 115.22 104.01 1ybw n HIS 451 Ca 0.08 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.54 1ybw n HIS 451 Cb 0.30 -0.02 0.02 0.00 0.12 0.00 0.00 29.99 30.41 1ybw n HIS 451 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1ybw n SER 452 N -0.18 -3.67 -4.81 4.39 3.41 0.64 -4.91 113.62 108.49 1ybw n SER 452 Ca 0.00 -0.24 -0.32 0.00 -0.26 0.00 0.00 58.87 58.04 1ybw n SER 452 Cb 0.05 -1.10 0.01 0.00 -0.26 0.00 0.00 64.21 62.91 1ybw n SER 452 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ybw s PRO 453 N -2.22 3.36 0.19 4.33 0.04 -1.26 -5.00 135.00 134.44 1ybw s PRO 453 Ca 0.21 1.12 -0.30 0.00 0.04 0.00 0.00 61.00 62.06 1ybw s PRO 453 Cb -0.02 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1ybw s PRO 453 CO 0.61 -0.77 1.36 -2.14 0.04 0.00 0.00 177.00 176.10 1ybw s PRO 454 N -4.26 4.34 0.14 0.56 0.02 -1.26 -4.92 135.00 129.63 1ybw s PRO 454 Ca 0.62 2.12 -0.25 0.00 0.02 0.00 0.00 61.00 63.51 1ybw s PRO 454 Cb -0.15 -3.19 -0.03 0.00 0.02 0.00 0.00 34.50 31.16 1ybw s PRO 454 CO 0.39 -0.33 1.29 0.54 -0.33 0.00 0.00 177.00 178.56 1ybw n ARG 455 N 2.88 -0.35 0.00 5.54 1.74 -1.26 0.04 116.66 125.24 1ybw n ARG 455 Ca 0.08 1.27 0.00 0.00 -0.77 0.00 0.00 57.85 58.42 1ybw n ARG 455 Cb 0.42 -1.87 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1ybw n ARG 455 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ybw n ASP 456 N -5.07 0.00 -0.96 0.55 5.75 -1.26 -0.41 116.55 115.15 1ybw n ASP 456 Ca 0.02 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.91 1ybw n ASP 456 Cb 0.23 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.45 1ybw n ASP 456 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1ybw n SER 457 N -0.95 3.05 -4.49 -1.12 3.41 0.11 -4.91 113.62 108.71 1ybw n SER 457 Ca 0.00 -1.94 -0.34 0.00 -0.26 0.00 0.00 58.87 56.34 1ybw n SER 457 Cb 0.00 -0.09 -0.12 0.00 -0.26 0.00 0.00 64.21 63.73 1ybw n SER 457 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ybw s VAL 458 N -1.68 3.65 -0.01 -3.33 1.01 0.45 0.18 120.40 120.67 1ybw s VAL 458 Ca 0.30 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1ybw s VAL 458 Cb 0.20 -2.56 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 1ybw s VAL 458 CO 0.28 0.52 -0.08 -0.55 0.00 0.00 0.00 175.10 175.28 1ybw s SER 459 N 0.10 0.98 -0.14 3.32 0.15 0.65 -4.28 113.70 114.48 1ybw s SER 459 Ca -0.02 -0.15 0.02 0.00 0.70 0.00 0.00 55.95 56.50 1ybw s SER 459 Cb -0.14 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.01 1ybw s SER 459 CO 0.03 0.08 -0.20 -0.69 1.20 0.00 0.00 173.24 173.66 1ybw s VAL 460 N -0.00 1.93 -0.18 4.45 1.01 -0.21 -0.25 120.40 127.15 1ybw s VAL 460 Ca 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1ybw s VAL 460 Cb -0.05 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 1ybw s VAL 460 CO -0.00 0.52 -0.12 -0.69 0.00 0.00 0.00 175.10 174.81 1ybw s VAL 461 N 0.99 2.83 0.10 2.92 1.01 -0.18 0.43 120.40 128.50 1ybw s VAL 461 Ca -0.04 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1ybw s VAL 461 Cb -0.15 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 1ybw s VAL 461 CO -0.05 0.49 0.18 -0.76 0.00 0.00 0.00 175.10 174.95 1ybw s LEU 462 N 1.15 4.10 -1.09 3.92 1.43 0.11 -1.86 118.68 126.45 1ybw s LEU 462 Ca 0.01 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1ybw s LEU 462 Cb -0.14 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1ybw s LEU 462 CO -0.04 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.28 1ybw n GLY 463 N 0.06 1.17 3.76 -3.19 0.00 -1.25 -0.99 105.19 104.74 1ybw n GLY 463 Ca -0.07 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 1ybw n GLY 463 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ybw s GLN 464 N -2.85 4.80 0.02 1.61 0.74 -1.26 -4.31 119.66 118.40 1ybw s GLN 464 Ca 0.00 1.45 -0.03 0.00 0.05 0.00 0.00 55.36 56.83 1ybw s GLN 464 Cb 0.00 -3.21 -0.01 0.00 1.10 0.00 0.00 33.01 30.89 1ybw s GLN 464 CO 0.00 0.49 -0.06 1.58 -0.55 0.00 0.00 175.29 176.75 1ybw n HIS 465 N 1.35 0.00 -2.86 1.67 -0.00 -1.26 -4.96 115.22 109.16 1ybw n HIS 465 Ca -0.02 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.31 1ybw n HIS 465 Cb 0.48 -0.08 -0.06 0.00 -0.00 0.00 0.00 29.99 30.33 1ybw n HIS 465 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1ybw s PHE 466 N -1.82 3.91 0.00 1.57 0.08 -1.26 -2.64 117.98 117.83 1ybw s PHE 466 Ca -0.05 1.75 0.00 0.00 0.12 0.00 0.00 56.93 58.75 1ybw s PHE 466 Cb 0.01 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.57 1ybw s PHE 466 CO 0.07 0.43 0.28 0.34 -0.10 0.00 0.00 175.22 176.25 1ybw n PHE 467 N 1.83 0.00 -1.82 0.36 7.35 0.56 -2.41 117.46 123.34 1ybw n PHE 467 Ca -0.03 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.42 1ybw n PHE 467 Cb 0.48 -0.08 0.05 0.00 0.35 0.00 0.00 39.48 40.29 1ybw n PHE 467 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1ybw n ASN 468 N -1.37 5.24 -4.48 -2.13 2.85 -1.26 -4.99 115.26 109.12 1ybw n ASN 468 Ca 0.00 -3.77 -0.34 0.00 -0.11 0.00 0.00 54.58 50.37 1ybw n ASN 468 Cb 0.00 -0.51 -0.12 0.00 1.24 0.00 0.00 39.78 40.39 1ybw n ASN 468 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1ybw s ARG 469 N -3.61 3.62 0.01 1.20 0.52 -1.01 -5.11 118.95 114.56 1ybw s ARG 469 Ca 0.53 -0.54 -0.02 0.00 -0.52 0.00 0.00 55.73 55.17 1ybw s ARG 469 Cb 0.43 -2.87 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 1ybw s ARG 469 CO 0.02 0.25 0.20 0.95 0.02 0.00 0.00 175.30 176.74 1ybw s THR 470 N 0.33 5.42 0.00 0.02 -4.23 -1.26 -4.67 115.64 111.25 1ybw s THR 470 Ca -0.05 -0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 1ybw s THR 470 Cb -0.14 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1ybw s THR 470 CO 0.03 0.29 0.00 0.41 -0.54 0.00 0.00 174.62 174.81 1ybw n THR 471 N 0.81 0.00 1.08 3.99 -1.04 -1.26 -4.99 114.28 112.87 1ybw n THR 471 Ca -0.10 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.03 1ybw n THR 471 Cb 0.52 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 69.16 1ybw n THR 471 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1ybw n ASP 472 N 0.00 1.41 -0.00 8.00 5.68 -1.26 -4.06 116.55 126.32 1ybw n ASP 472 Ca 0.00 -1.12 0.04 0.00 -0.50 0.00 0.00 54.79 53.21 1ybw n ASP 472 Cb 0.00 0.42 -0.05 0.00 -1.14 0.00 0.00 41.12 40.35 1ybw n ASP 472 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1ybw n VAL 473 N -0.58 0.00 -2.71 2.12 0.24 -1.26 -5.00 118.33 111.14 1ybw n VAL 473 Ca 0.09 -0.29 -0.33 0.00 -2.04 0.00 0.00 64.34 61.76 1ybw n VAL 473 Cb 0.40 0.98 -0.06 0.00 -1.47 0.00 0.00 33.84 33.69 1ybw n VAL 473 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1ybw s THR 474 N -1.84 4.17 -0.18 3.34 -4.23 -1.26 -4.61 115.64 111.04 1ybw s THR 474 Ca 0.03 1.35 -0.02 0.00 -1.18 0.00 0.00 61.69 61.87 1ybw s THR 474 Cb 0.07 -3.55 0.05 0.00 1.34 0.00 0.00 72.50 70.41 1ybw s THR 474 CO 0.36 -0.30 0.00 -1.10 -0.54 0.00 0.00 174.62 173.04 1ybw s GLN 475 N -3.22 0.92 -0.10 3.99 -0.21 -0.16 -4.79 119.66 116.09 1ybw s GLN 475 Ca 0.64 -0.44 -0.02 0.00 0.02 0.00 0.00 55.36 55.56 1ybw s GLN 475 Cb -0.12 -2.00 -0.03 0.00 1.00 0.00 0.00 33.01 31.86 1ybw s GLN 475 CO 0.16 -0.55 -0.02 0.95 -2.12 0.00 0.00 175.29 173.71 1ybw s THR 476 N 1.77 4.16 0.14 -0.19 -4.23 -1.26 0.09 115.64 116.11 1ybw s THR 476 Ca -0.00 -0.30 0.06 0.00 -1.18 0.00 0.00 61.69 60.27 1ybw s THR 476 Cb -0.16 -2.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.88 1ybw s THR 476 CO -0.07 0.58 -0.13 -0.36 -0.54 0.00 0.00 174.62 174.10 1ybw s PHE 477 N -0.63 1.42 0.51 3.99 0.40 0.17 -4.96 117.98 118.88 1ybw s PHE 477 Ca 0.10 -0.60 -0.01 0.00 -0.60 0.00 0.00 56.93 55.82 1ybw s PHE 477 Cb -0.12 -0.72 0.10 0.00 0.51 0.00 0.00 43.02 42.79 1ybw s PHE 477 CO 0.02 0.16 0.70 0.41 0.70 0.00 0.00 175.22 177.22 1ybw n GLY 478 N 0.26 0.52 3.24 4.36 0.00 -1.26 -1.04 105.19 111.26 1ybw n GLY 478 Ca -0.13 -1.98 -0.17 0.00 0.00 0.00 0.00 46.02 43.73 1ybw n GLY 478 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ybw s ILE 479 N -2.12 1.29 -0.13 -0.61 -4.36 -1.26 -1.03 121.20 112.98 1ybw s ILE 479 Ca 0.46 -1.73 -0.15 0.00 -0.26 0.00 0.00 60.65 58.97 1ybw s ILE 479 Cb -0.02 -1.53 -0.25 0.00 1.25 0.00 0.00 42.46 41.90 1ybw s ILE 479 CO 0.31 -0.45 0.44 -0.33 0.24 0.00 0.00 174.94 175.15 1ybw h GLU 480 N 3.48 0.20 -1.40 0.37 4.39 -0.51 -3.42 114.58 117.68 1ybw h GLU 480 Ca -0.39 -0.34 0.29 0.00 0.34 0.00 0.00 59.36 59.25 1ybw h GLU 480 Cb 1.20 0.13 -0.17 0.00 -0.10 0.00 0.00 28.75 29.80 1ybw h GLU 480 CO 0.51 1.16 0.84 -1.59 -1.16 0.00 0.00 179.01 178.78 1ybw s LYS 481 N -2.47 0.28 -0.10 2.33 0.00 -1.23 -5.01 119.74 113.53 1ybw s LYS 481 Ca -0.22 -0.12 0.04 0.00 0.00 0.00 0.00 55.97 55.66 1ybw s LYS 481 Cb 0.05 0.12 0.00 0.00 0.00 0.00 0.00 37.83 38.00 1ybw s LYS 481 CO 0.73 -0.13 -0.23 1.52 0.00 0.00 0.00 175.35 177.25 1ybw s TYR 482 N -2.36 2.49 -0.35 1.78 -0.85 -1.26 -0.59 117.35 116.20 1ybw s TYR 482 Ca 0.11 -1.06 -0.05 0.00 -0.52 0.00 0.00 57.07 55.55 1ybw s TYR 482 Cb 0.01 -1.68 0.06 0.00 0.38 0.00 0.00 41.96 40.73 1ybw s TYR 482 CO -0.04 -0.44 0.12 0.42 -1.52 0.00 0.00 175.55 174.09 1ybw s ILE 483 N 0.45 3.55 0.49 -3.49 1.01 0.53 -4.90 121.20 118.82 1ybw s ILE 483 Ca -0.17 -1.42 -0.18 0.00 0.00 0.00 0.00 60.65 58.88 1ybw s ILE 483 Cb -0.17 -3.12 -0.09 0.00 0.01 0.00 0.00 42.46 39.09 1ybw s ILE 483 CO 0.07 -0.31 0.98 -2.16 0.00 0.00 0.00 174.94 173.53 1ybw s PRO 484 N 1.32 3.98 0.17 2.79 0.04 -1.26 -0.11 135.00 141.93 1ybw s PRO 484 Ca -0.00 1.08 -0.33 0.00 0.04 0.00 0.00 61.00 61.79 1ybw s PRO 484 Cb -0.21 -2.14 -0.16 0.00 0.04 0.00 0.00 34.50 32.04 1ybw s PRO 484 CO 0.00 -0.25 1.14 0.98 0.04 0.00 0.00 177.00 178.91 1ybw n TYR 485 N -1.23 1.23 -0.25 0.56 9.36 0.09 -4.83 117.16 122.09 1ybw n TYR 485 Ca 0.07 0.70 0.05 0.00 3.32 0.00 0.00 57.90 62.04 1ybw n TYR 485 Cb 0.54 -2.26 0.16 0.00 -0.63 0.00 0.00 39.34 37.15 1ybw n TYR 485 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 1ybw h THR 486 N 2.61 0.41 0.00 2.97 2.02 -1.92 -0.70 112.91 118.30 1ybw h THR 486 Ca -0.43 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1ybw h THR 486 Cb 1.35 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1ybw h THR 486 CO 0.69 0.03 0.00 0.18 0.37 0.00 0.00 175.52 176.79 1ybw n LEU 487 N -5.27 0.10 -4.72 2.58 4.77 -1.26 -4.85 117.00 108.35 1ybw n LEU 487 Ca 0.14 -0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.66 1ybw n LEU 487 Cb 0.47 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 1ybw n LEU 487 CO 0.08 0.03 0.52 -0.47 -1.33 0.00 0.00 177.39 176.22 1ybw s TYR 488 N -1.88 3.63 -0.01 -1.77 5.04 -0.27 -4.96 117.35 117.13 1ybw s TYR 488 Ca 0.00 1.47 0.01 0.00 -2.44 0.00 0.00 57.07 56.11 1ybw s TYR 488 Cb 0.00 -2.94 -0.00 0.00 0.35 0.00 0.00 41.96 39.37 1ybw s TYR 488 CO 0.00 0.07 -0.04 -1.54 -1.34 0.00 0.00 175.55 172.70 1ybw s SER 489 N 0.78 0.54 0.43 4.32 1.04 -1.26 -4.99 113.70 114.55 1ybw s SER 489 Ca 0.44 -0.08 0.14 0.00 0.48 0.00 0.00 55.95 56.93 1ybw s SER 489 Cb -0.19 -0.09 1.03 0.00 0.10 0.00 0.00 66.02 66.87 1ybw s SER 489 CO 0.23 0.04 1.96 -0.37 0.98 0.00 0.00 173.24 176.08 1ybw h VAL 490 N 5.17 0.87 0.00 5.02 -1.51 -1.96 -0.27 116.25 123.56 1ybw h VAL 490 Ca -0.29 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 1ybw h VAL 490 Cb 1.19 0.42 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 1ybw h VAL 490 CO 0.50 0.08 0.00 0.49 -1.23 0.00 0.00 177.57 177.41 1ybw n PHE 491 N -4.47 0.00 -2.75 5.19 3.72 -1.26 -3.14 117.46 114.75 1ybw n PHE 491 Ca 0.11 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.45 1ybw n PHE 491 Cb 0.42 -0.05 0.04 0.00 -0.94 0.00 0.00 39.48 38.95 1ybw n PHE 491 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1ybw n ASN 492 N -1.05 -2.98 0.08 4.37 2.85 -0.13 -5.04 115.26 113.36 1ybw n ASN 492 Ca 0.09 -3.01 0.10 0.00 -0.11 0.00 0.00 54.58 51.65 1ybw n ASN 492 Cb 0.05 1.71 0.42 0.00 1.24 0.00 0.00 39.78 43.20 1ybw n ASN 492 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1ybw n PRO 493 N 2.15 0.12 0.07 1.20 -0.05 -1.11 -3.85 135.00 133.54 1ybw n PRO 493 Ca 0.12 0.37 -0.20 0.00 -0.05 0.00 0.00 63.50 63.74 1ybw n PRO 493 Cb 0.61 -1.73 -0.15 0.00 -0.05 0.00 0.00 33.50 32.18 1ybw n PRO 493 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 175.50 176.22 1ybw h SER 494 N 0.00 0.51 -3.69 3.54 0.02 -1.92 -3.43 113.55 108.57 1ybw h SER 494 Ca 0.00 -0.71 -0.50 0.00 -0.84 0.00 0.00 61.79 59.74 1ybw h SER 494 Cb 0.30 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1ybw h SER 494 CO 0.00 1.60 0.08 -0.62 -1.14 0.00 0.00 176.83 176.74 1ybw s ASP 495 N -7.14 6.72 -1.58 3.07 2.15 -1.25 -3.89 116.67 114.75 1ybw s ASP 495 Ca -0.12 1.22 -0.02 0.00 0.43 0.00 0.00 52.55 54.06 1ybw s ASP 495 Cb 0.06 -2.35 0.01 0.00 -0.30 0.00 0.00 42.92 40.34 1ybw s ASP 495 CO 0.86 -0.22 0.26 1.41 -0.17 0.00 0.00 175.17 177.31 1ybw n HIS 496 N -0.47 -1.48 -2.25 -5.34 8.25 -1.26 -4.77 115.22 107.90 1ybw n HIS 496 Ca 0.03 0.23 -0.33 0.00 -0.26 0.00 0.00 57.72 57.39 1ybw n HIS 496 Cb 0.53 -3.96 -0.04 0.00 1.12 0.00 0.00 29.99 27.65 1ybw n HIS 496 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1ybw s ASP 497 N -2.34 5.69 -0.28 0.41 2.15 -1.25 -4.61 116.67 116.44 1ybw s ASP 497 Ca 0.14 -1.43 -0.11 0.00 0.43 0.00 0.00 52.55 51.58 1ybw s ASP 497 Cb -0.07 -2.57 0.11 0.00 -0.30 0.00 0.00 42.92 40.09 1ybw s ASP 497 CO 0.18 -2.31 0.62 -0.22 -0.17 0.00 0.00 175.17 173.26 1ybw s LEU 498 N 8.28 -1.00 0.08 -1.34 0.20 -1.26 -4.06 118.68 119.58 1ybw s LEU 498 Ca 0.62 1.46 0.08 0.00 0.69 0.00 0.00 54.13 56.97 1ybw s LEU 498 Cb -0.02 2.15 -0.03 0.00 -0.43 0.00 0.00 46.19 47.87 1ybw s LEU 498 CO 0.03 -0.22 -0.20 0.54 -0.29 0.00 0.00 176.35 176.20 1ybw s VAL 499 N 2.55 1.63 -0.16 1.68 0.11 0.16 -0.73 120.40 125.64 1ybw s VAL 499 Ca -0.06 -1.39 -0.02 0.00 -2.93 0.00 0.00 61.98 57.58 1ybw s VAL 499 Cb -0.10 -1.46 -0.02 0.00 -1.53 0.00 0.00 36.38 33.26 1ybw s VAL 499 CO -0.18 0.02 -0.08 -0.22 -3.33 0.00 0.00 175.10 171.31 1ybw s LEU 500 N -1.61 2.93 -0.11 2.54 2.96 0.85 -0.61 118.68 125.63 1ybw s LEU 500 Ca 0.06 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 1ybw s LEU 500 Cb -0.09 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 1ybw s LEU 500 CO 0.03 0.13 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.38 1ybw s ILE 501 N 0.60 2.60 -0.38 6.68 1.01 0.10 0.20 121.20 132.02 1ybw s ILE 501 Ca -0.05 -0.83 -0.13 0.00 0.00 0.00 0.00 60.65 59.64 1ybw s ILE 501 Cb -0.15 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.29 1ybw s ILE 501 CO 0.03 0.54 0.24 -0.60 0.00 0.00 0.00 174.94 175.16 1ybw s ARG 502 N 0.27 3.05 0.54 2.79 3.00 0.24 -0.70 118.95 128.13 1ybw s ARG 502 Ca -0.13 -0.95 -0.21 0.00 -1.00 0.00 0.00 55.73 53.44 1ybw s ARG 502 Cb -0.16 -3.83 -0.05 0.00 0.00 0.00 0.00 34.95 30.91 1ybw s ARG 502 CO 0.07 -0.65 1.27 -0.51 0.00 0.00 0.00 175.30 175.48 1ybw s LEU 503 N 1.64 3.82 0.07 -0.88 1.43 0.55 0.15 118.68 125.46 1ybw s LEU 503 Ca 0.04 2.55 -0.28 0.00 -1.03 0.00 0.00 54.13 55.41 1ybw s LEU 503 Cb -0.19 -4.37 -0.05 0.00 0.03 0.00 0.00 46.19 41.61 1ybw s LEU 503 CO 0.09 -1.45 0.88 -0.75 0.23 0.00 0.00 176.35 175.35 1ybw s LYS 504 N -2.99 4.60 0.37 1.70 2.20 -0.20 -4.45 119.74 120.97 1ybw s LYS 504 Ca 0.72 1.29 -0.26 0.00 -0.36 0.00 0.00 55.97 57.36 1ybw s LYS 504 Cb -0.35 -3.38 -0.09 0.00 -1.51 0.00 0.00 37.83 32.50 1ybw s LYS 504 CO 0.40 0.20 1.15 0.15 -0.36 0.00 0.00 175.35 176.90 1ybw s LYS 505 N 0.12 4.22 -0.33 4.03 1.02 -1.26 -4.56 119.74 122.98 1ybw s LYS 505 Ca 0.44 1.83 -0.02 0.00 0.02 0.00 0.00 55.97 58.24 1ybw s LYS 505 Cb -0.22 -2.81 0.07 0.00 -0.52 0.00 0.00 37.83 34.35 1ybw s LYS 505 CO 0.27 -0.17 0.05 0.15 -0.92 0.00 0.00 175.35 174.73 1ybw s LYS 506 N -2.09 2.29 -1.07 1.68 1.02 -1.26 -4.61 119.74 115.69 1ybw s LYS 506 Ca 0.54 -1.42 -0.04 0.00 0.02 0.00 0.00 55.97 55.06 1ybw s LYS 506 Cb -0.31 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 33.72 1ybw s LYS 506 CO 0.39 -0.74 0.92 0.41 -0.92 0.00 0.00 175.35 175.41 1ybw n GLY 507 N 4.60 -0.27 4.00 -3.33 0.00 -1.26 -2.34 105.19 106.60 1ybw n GLY 507 Ca -0.10 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1ybw n GLY 507 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ybw n ASP 508 N -2.47 -3.67 0.00 1.61 2.03 -1.26 -4.87 116.55 107.92 1ybw n ASP 508 Ca -0.10 -0.87 0.00 0.00 0.52 0.00 0.00 54.79 54.34 1ybw n ASP 508 Cb 0.59 -3.48 0.00 0.00 -0.72 0.00 0.00 41.12 37.51 1ybw n ASP 508 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1ybw n ARG 509 N -4.54 0.00 0.00 -0.67 3.00 -0.99 -5.12 116.66 108.34 1ybw n ARG 509 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1ybw n ARG 509 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.00 1ybw n ARG 509 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ybw s ALA 511 N -1.76 3.71 -0.32 0.00 0.00 -0.21 -4.82 121.76 118.37 1ybw s ALA 511 Ca 0.00 1.25 -0.16 0.00 0.00 0.00 0.00 51.96 53.05 1ybw s ALA 511 Cb 0.00 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 1ybw s ALA 511 CO 0.00 -0.85 0.40 0.99 0.00 0.00 0.00 175.76 176.30 1ybw s THR 512 N 1.65 5.13 0.70 0.00 2.01 -1.26 -4.79 115.64 119.07 1ybw s THR 512 Ca 0.70 0.30 -0.16 0.00 0.31 0.00 0.00 61.69 62.83 1ybw s THR 512 Cb -0.41 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.28 1ybw s THR 512 CO 0.31 -0.04 0.96 0.54 -0.69 0.00 0.00 174.62 175.71 1ybw n ARG 513 N 5.45 0.59 -3.53 4.92 1.74 -1.26 -4.73 116.66 119.85 1ybw n ARG 513 Ca -0.08 0.26 0.02 0.00 -0.77 0.00 0.00 57.85 57.28 1ybw n ARG 513 Cb 0.50 -2.21 0.01 0.00 -1.02 0.00 0.00 32.46 29.74 1ybw n ARG 513 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1ybw n SER 514 N -1.46 -0.94 0.00 0.55 3.41 -0.27 -4.92 113.62 109.98 1ybw n SER 514 Ca 0.13 -1.20 0.06 0.00 -0.26 0.00 0.00 58.87 57.61 1ybw n SER 514 Cb 0.49 1.46 0.30 0.00 -0.26 0.00 0.00 64.21 66.20 1ybw n SER 514 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ybw n GLN 515 N -0.72 0.06 -0.00 4.33 6.02 -1.16 -3.08 117.38 122.82 1ybw n GLN 515 Ca 0.03 0.24 0.01 0.00 -0.01 0.00 0.00 57.00 57.27 1ybw n GLN 515 Cb 0.45 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.20 1ybw n GLN 515 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1ybw n PHE 516 N -1.44 0.00 -4.04 1.08 3.72 -1.26 -4.20 117.46 111.32 1ybw n PHE 516 Ca 0.04 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.13 1ybw n PHE 516 Cb 0.14 -0.02 -0.16 0.00 -0.94 0.00 0.00 39.48 38.50 1ybw n PHE 516 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1ybw s VAL 517 N -1.89 1.86 -0.26 -4.37 1.01 -1.18 -3.97 120.40 111.60 1ybw s VAL 517 Ca -0.00 -1.12 -0.25 0.00 0.00 0.00 0.00 61.98 60.60 1ybw s VAL 517 Cb 0.01 -1.87 0.07 0.00 0.00 0.00 0.00 36.38 34.59 1ybw s VAL 517 CO 0.05 0.22 0.75 -1.58 0.00 0.00 0.00 175.10 174.54 1ybw s GLN 518 N 1.31 0.82 0.38 2.72 0.74 -0.66 -1.12 119.66 123.85 1ybw s GLN 518 Ca -0.01 0.92 -0.27 0.00 0.05 0.00 0.00 55.36 56.05 1ybw s GLN 518 Cb -0.16 0.40 -0.09 0.00 1.10 0.00 0.00 33.01 34.26 1ybw s GLN 518 CO -0.09 -0.11 1.26 -2.14 -0.55 0.00 0.00 175.29 173.67 1ybw s PRO 519 N 0.28 4.14 0.29 1.67 0.02 -1.26 -1.99 135.00 138.15 1ybw s PRO 519 Ca -0.00 2.09 -0.06 0.00 0.02 0.00 0.00 61.00 63.04 1ybw s PRO 519 Cb -0.05 -2.86 -0.06 0.00 0.02 0.00 0.00 34.50 31.56 1ybw s PRO 519 CO 0.01 -0.32 0.58 -1.50 -0.33 0.00 0.00 177.00 175.43 1ybw s ILE 520 N -1.25 4.98 0.52 2.83 2.07 -0.00 -0.22 121.20 130.13 1ybw s ILE 520 Ca 0.54 0.19 -0.14 0.00 -1.41 0.00 0.00 60.65 59.82 1ybw s ILE 520 Cb -0.37 -3.71 -0.07 0.00 0.13 0.00 0.00 42.46 38.44 1ybw s ILE 520 CO 0.47 -0.30 0.96 0.00 -1.91 0.00 0.00 174.94 174.17 1ybw s LEU 522 N -4.29 4.04 0.94 0.00 2.01 -1.26 -0.34 118.68 119.78 1ybw s LEU 522 Ca 0.57 0.22 -0.15 0.00 0.01 0.00 0.00 54.13 54.78 1ybw s LEU 522 Cb -0.10 -2.32 0.18 0.00 0.01 0.00 0.00 46.19 43.96 1ybw s LEU 522 CO 0.36 0.29 1.28 -2.16 1.01 0.00 0.00 176.35 177.13 1ybw s PRO 523 N -1.69 0.86 0.28 1.29 0.04 -1.26 -4.91 135.00 129.62 1ybw s PRO 523 Ca 0.23 -0.28 -0.29 0.00 0.04 0.00 0.00 61.00 60.70 1ybw s PRO 523 Cb -0.12 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 1ybw s PRO 523 CO 0.14 -2.29 1.06 -1.21 0.04 0.00 0.00 177.00 174.74 1ybw s GLU 524 N -5.80 4.64 -0.08 4.56 0.41 -1.26 -4.92 118.70 116.26 1ybw s GLU 524 Ca 0.71 1.70 -0.40 0.00 -0.41 0.00 0.00 54.97 56.58 1ybw s GLU 524 Cb -0.06 -3.14 -0.18 0.00 -1.78 0.00 0.00 34.13 28.97 1ybw s GLU 524 CO 0.52 0.25 1.38 -2.30 -0.49 0.00 0.00 175.26 174.62 1ybw n PRO 525 N 1.12 0.71 -0.24 0.39 -0.02 -1.26 -1.05 135.00 134.65 1ybw n PRO 525 Ca -0.01 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1ybw n PRO 525 Cb 0.46 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1ybw n PRO 525 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ybw n GLY 526 N 2.76 1.04 3.67 -1.23 0.00 -0.55 -4.97 105.19 105.91 1ybw n GLY 526 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1ybw n GLY 526 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ybw s SER 527 N -2.74 3.03 0.34 1.61 1.04 -0.21 -4.96 113.70 111.80 1ybw s SER 527 Ca 0.00 1.69 0.03 0.00 0.48 0.00 0.00 55.95 58.16 1ybw s SER 527 Cb 0.00 -2.33 -0.04 0.00 0.10 0.00 0.00 66.02 63.75 1ybw s SER 527 CO 0.00 -2.95 0.12 0.42 0.98 0.00 0.00 173.24 171.81 1ybw s THR 528 N -2.78 0.65 0.14 2.02 -4.23 -1.26 -4.80 115.64 105.38 1ybw s THR 528 Ca 0.65 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.27 1ybw s THR 528 Cb -0.20 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 1ybw s THR 528 CO 0.58 0.00 -0.26 -0.36 -0.54 0.00 0.00 174.62 174.04 1ybw s PHE 529 N -3.41 2.32 0.36 3.99 0.40 -1.26 -5.10 117.98 115.27 1ybw s PHE 529 Ca 0.32 -0.37 -0.27 0.00 -0.60 0.00 0.00 56.93 56.01 1ybw s PHE 529 Cb 0.05 -1.24 -0.09 0.00 0.51 0.00 0.00 43.02 42.26 1ybw s PHE 529 CO 0.16 0.37 1.18 -1.25 0.70 0.00 0.00 175.22 176.38 1ybw s PRO 530 N -2.16 4.23 0.37 0.24 0.04 -1.26 -4.96 135.00 131.49 1ybw s PRO 530 Ca 0.15 1.91 -0.27 0.00 0.04 0.00 0.00 61.00 62.83 1ybw s PRO 530 Cb -0.10 -2.86 -0.11 0.00 0.04 0.00 0.00 34.50 31.47 1ybw s PRO 530 CO 0.07 -0.19 1.32 0.00 0.04 0.00 0.00 177.00 178.24 1ybw n ALA 531 N 0.44 1.50 0.00 8.56 0.00 -1.26 -0.92 120.51 128.83 1ybw n ALA 531 Ca 0.02 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1ybw n ALA 531 Cb 0.45 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1ybw n ALA 531 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ybw n GLY 532 N 0.72 2.82 3.67 0.00 0.00 0.58 -4.93 105.19 108.05 1ybw n GLY 532 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1ybw n GLY 532 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ybw s HIS 533 N -2.48 1.80 -0.80 1.61 5.04 -0.09 -4.54 115.29 115.83 1ybw s HIS 533 Ca 0.00 -0.12 -0.26 0.00 -1.54 0.00 0.00 55.06 53.14 1ybw s HIS 533 Cb 0.00 -4.13 0.03 0.00 0.04 0.00 0.00 32.58 28.52 1ybw s HIS 533 CO 0.00 -4.85 1.38 0.15 -2.34 0.00 0.00 174.74 169.08 1ybw s LYS 534 N 3.65 3.22 0.52 2.88 1.02 -1.26 -1.76 119.74 128.00 1ybw s LYS 534 Ca 0.82 -0.37 0.06 0.00 0.02 0.00 0.00 55.97 56.50 1ybw s LYS 534 Cb -0.42 -4.48 0.05 0.00 -0.52 0.00 0.00 37.83 32.46 1ybw s LYS 534 CO 0.37 -2.24 0.72 0.00 -0.92 0.00 0.00 175.35 173.27 1ybw s GLN 536 N -4.60 1.22 0.10 0.00 0.74 0.06 -0.06 119.66 117.12 1ybw s GLN 536 Ca 0.58 -0.64 0.08 0.00 0.05 0.00 0.00 55.36 55.43 1ybw s GLN 536 Cb -0.09 -1.21 -0.04 0.00 1.10 0.00 0.00 33.01 32.78 1ybw s GLN 536 CO 0.37 0.32 -0.14 0.96 -0.55 0.00 0.00 175.29 176.25 1ybw s ILE 537 N -0.51 3.09 0.06 -2.34 -4.36 0.04 -1.57 121.20 115.61 1ybw s ILE 537 Ca 0.05 -1.34 -0.11 0.00 -0.26 0.00 0.00 60.65 59.00 1ybw s ILE 537 Cb -0.07 -2.41 0.01 0.00 1.25 0.00 0.00 42.46 41.24 1ybw s ILE 537 CO 0.00 0.14 0.23 0.00 0.24 0.00 0.00 174.94 175.55 1ybw s ALA 538 N -1.14 -0.42 0.00 2.27 0.00 -1.25 -0.86 121.76 120.35 1ybw s ALA 538 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1ybw s ALA 538 Cb -0.11 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.40 1ybw s ALA 538 CO 0.11 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1ybw n GLY 539 N 0.35 -0.05 1.25 0.00 0.00 -0.37 -4.57 105.19 101.80 1ybw n GLY 539 Ca -0.17 -1.17 0.08 0.00 0.00 0.00 0.00 46.02 44.75 1ybw n GLY 539 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ybw n TRP 540 N -0.75 1.25 -0.60 1.61 8.01 -1.26 -2.08 117.44 123.61 1ybw n TRP 540 Ca 0.00 -0.72 -0.31 0.00 -1.31 0.00 0.00 57.50 55.16 1ybw n TRP 540 Cb 0.00 -0.29 0.20 0.00 -2.01 0.00 0.00 31.31 29.21 1ybw n TRP 540 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ybw n GLY 541 N 0.31 -2.29 3.64 6.99 0.00 -1.26 -0.73 105.19 111.86 1ybw n GLY 541 Ca 0.22 -0.94 -0.47 0.00 0.00 0.00 0.00 46.02 44.84 1ybw n GLY 541 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ybw n HIS 542 N -4.62 1.88 0.87 1.61 8.25 0.18 -2.82 115.22 120.57 1ybw n HIS 542 Ca 0.02 0.50 0.11 0.00 -0.26 0.00 0.00 57.72 58.08 1ybw n HIS 542 Cb 0.59 -2.41 0.50 0.00 1.12 0.00 0.00 29.99 29.79 1ybw n HIS 542 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1ybw n LEU 543 N 2.29 0.00 -3.63 2.41 0.00 -1.26 -0.74 117.00 116.07 1ybw n LEU 543 Ca 0.14 0.41 -0.03 0.00 0.00 0.00 0.00 56.01 56.53 1ybw n LEU 543 Cb 0.28 -0.41 -0.03 0.00 0.00 0.00 0.00 43.42 43.26 1ybw n LEU 543 CO 0.62 -0.11 1.12 -0.62 0.00 0.00 0.00 177.39 178.41 1ybw s ASP 544 N -2.83 -0.06 0.05 1.96 2.15 -1.26 -4.35 116.67 112.33 1ybw s ASP 544 Ca 0.15 0.04 -0.24 0.00 0.43 0.00 0.00 52.55 52.93 1ybw s ASP 544 Cb 0.15 0.06 -0.17 0.00 -0.30 0.00 0.00 42.92 42.66 1ybw s ASP 544 CO 0.37 -0.08 1.58 -0.33 -0.17 0.00 0.00 175.17 176.54 1ybw h GLU 545 N 2.06 0.00 -0.76 4.34 5.08 -1.87 -3.13 114.58 120.30 1ybw h GLU 545 Ca -0.07 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1ybw h GLU 545 Cb 1.17 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 1ybw h GLU 545 CO 0.22 0.17 0.45 -0.91 -1.00 0.00 0.00 179.01 177.93 1ybw h ASN 546 N -0.16 0.92 -0.98 1.42 2.35 -1.98 -3.33 115.58 113.81 1ybw h ASN 546 Ca 0.00 -0.07 -0.61 0.00 -0.55 0.00 0.00 56.30 55.07 1ybw h ASN 546 Cb 0.17 -0.23 -0.09 0.00 0.05 0.00 0.00 38.32 38.22 1ybw h ASN 546 CO -0.00 0.72 1.73 -0.69 -1.65 0.00 0.00 177.43 177.54 1ybw s VAL 547 N -5.95 3.97 0.87 2.81 1.01 -1.18 -4.97 120.40 116.96 1ybw s VAL 547 Ca -0.13 -1.20 -0.12 0.00 0.00 0.00 0.00 61.98 60.54 1ybw s VAL 547 Cb 0.15 -5.06 0.12 0.00 0.00 0.00 0.00 36.38 31.59 1ybw s VAL 547 CO 0.79 -1.91 1.18 -0.55 0.00 0.00 0.00 175.10 174.61 1ybw s SER 548 N 4.85 3.20 0.00 3.32 0.15 -1.25 -4.40 113.70 119.56 1ybw s SER 548 Ca 0.51 2.28 0.00 0.00 0.70 0.00 0.00 55.95 59.44 1ybw s SER 548 Cb 0.01 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1ybw s SER 548 CO -0.02 -2.92 0.00 0.61 1.20 0.00 0.00 173.24 172.11 1ybw n GLY 549 N 0.36 2.25 3.75 9.45 0.00 -1.26 -5.02 105.19 114.72 1ybw n GLY 549 Ca 0.13 -1.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 1ybw n GLY 549 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ybw s TYR 550 N -1.61 2.42 0.21 1.61 2.02 -1.26 -4.36 117.35 116.39 1ybw s TYR 550 Ca 0.00 1.58 -0.29 0.00 -0.37 0.00 0.00 57.07 57.99 1ybw s TYR 550 Cb 0.00 -3.20 -0.09 0.00 -0.40 0.00 0.00 41.96 38.27 1ybw s TYR 550 CO 0.00 -1.97 0.90 -1.12 -1.57 0.00 0.00 175.55 171.79 1ybw s SER 551 N -2.71 7.58 -0.03 2.29 0.01 0.10 -4.92 113.70 116.01 1ybw s SER 551 Ca 0.67 1.87 -0.26 0.00 1.31 0.00 0.00 55.95 59.54 1ybw s SER 551 Cb -0.21 -2.58 -0.20 0.00 0.21 0.00 0.00 66.02 63.23 1ybw s SER 551 CO 0.47 0.15 1.20 0.77 0.41 0.00 0.00 173.24 176.25 1ybw h SER 552 N 4.30 -0.03 -3.00 2.44 4.64 -1.94 -3.41 113.55 116.55 1ybw h SER 552 Ca -0.45 -0.50 -0.50 0.00 -0.47 0.00 0.00 61.79 59.87 1ybw h SER 552 Cb 1.20 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1ybw h SER 552 CO 0.68 0.49 -0.16 -0.55 -0.87 0.00 0.00 176.83 176.41 1ybw s SER 553 N -5.68 6.35 0.20 4.97 0.15 -1.26 0.21 113.70 118.63 1ybw s SER 553 Ca -0.16 0.57 -0.30 0.00 0.70 0.00 0.00 55.95 56.76 1ybw s SER 553 Cb 0.01 -2.08 -0.09 0.00 -1.71 0.00 0.00 66.02 62.15 1ybw s SER 553 CO 0.65 -0.26 1.41 -0.22 1.20 0.00 0.00 173.24 176.02 1ybw s LEU 554 N -3.99 4.39 0.24 3.45 2.96 -1.08 -4.80 118.68 119.84 1ybw s LEU 554 Ca 0.42 2.51 0.12 0.00 -0.22 0.00 0.00 54.13 56.95 1ybw s LEU 554 Cb -0.10 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.93 1ybw s LEU 554 CO 0.34 -0.65 -0.21 -0.13 -1.32 0.00 0.00 176.35 174.37 1ybw s ARG 555 N 0.20 1.63 0.18 1.98 0.52 -0.88 -1.46 118.95 121.11 1ybw s ARG 555 Ca 0.61 -1.65 -0.06 0.00 -0.52 0.00 0.00 55.73 54.11 1ybw s ARG 555 Cb -0.39 -1.82 -0.02 0.00 0.52 0.00 0.00 34.95 33.24 1ybw s ARG 555 CO 0.38 0.36 0.24 -1.83 0.02 0.00 0.00 175.30 174.47 1ybw s GLU 556 N -3.13 1.19 -0.07 3.54 -1.05 0.13 -1.23 118.70 118.07 1ybw s GLU 556 Ca 0.26 -1.33 -0.30 0.00 -0.15 0.00 0.00 54.97 53.44 1ybw s GLU 556 Cb -0.06 0.35 0.09 0.00 -0.44 0.00 0.00 34.13 34.06 1ybw s GLU 556 CO 0.13 -0.42 0.78 0.00 0.95 0.00 0.00 175.26 176.70 1ybw s ALA 557 N -4.03 -1.82 -0.04 -0.84 0.00 -0.04 -0.74 121.76 114.26 1ybw s ALA 557 Ca 0.24 1.36 -0.16 0.00 0.00 0.00 0.00 51.96 53.39 1ybw s ALA 557 Cb 0.04 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 1ybw s ALA 557 CO 0.04 -0.38 0.45 -0.51 0.00 0.00 0.00 175.76 175.36 1ybw s LEU 558 N -1.28 4.40 -0.06 0.00 1.43 -1.26 -0.78 118.68 121.12 1ybw s LEU 558 Ca -0.07 0.93 -0.01 0.00 -1.03 0.00 0.00 54.13 53.95 1ybw s LEU 558 Cb -0.00 -2.66 0.03 0.00 0.03 0.00 0.00 46.19 43.59 1ybw s LEU 558 CO 0.06 0.19 0.02 0.68 0.23 0.00 0.00 176.35 177.53 1ybw s VAL 559 N -0.41 0.22 0.44 -1.59 -7.23 0.92 -4.81 120.40 107.94 1ybw s VAL 559 Ca 0.25 0.22 -0.23 0.00 -1.81 0.00 0.00 61.98 60.40 1ybw s VAL 559 Cb -0.16 -0.41 -0.08 0.00 0.56 0.00 0.00 36.38 36.29 1ybw s VAL 559 CO 0.13 0.23 1.13 -2.16 -0.31 0.00 0.00 175.10 174.12 1ybw s PRO 560 N 2.01 3.90 0.14 4.82 0.04 -1.26 -2.10 135.00 142.55 1ybw s PRO 560 Ca 0.05 1.71 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 1ybw s PRO 560 Cb -0.12 -2.47 -0.07 0.00 0.04 0.00 0.00 34.50 31.88 1ybw s PRO 560 CO -0.04 -0.41 1.10 -0.51 0.04 0.00 0.00 177.00 177.17 1ybw s LEU 561 N -2.87 4.46 -0.11 -3.56 1.43 -0.72 -1.25 118.68 116.06 1ybw s LEU 561 Ca 0.61 2.02 -0.10 0.00 -1.03 0.00 0.00 54.13 55.64 1ybw s LEU 561 Cb -0.27 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.31 1ybw s LEU 561 CO 0.33 -0.25 0.21 -0.69 0.23 0.00 0.00 176.35 176.18 1ybw s VAL 562 N 0.08 5.37 0.26 -1.59 1.01 -0.06 -0.30 120.40 125.16 1ybw s VAL 562 Ca 0.51 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.56 1ybw s VAL 562 Cb -0.28 -3.50 -0.14 0.00 0.00 0.00 0.00 36.38 32.46 1ybw s VAL 562 CO 0.33 0.56 1.24 0.00 0.00 0.00 0.00 175.10 177.23 1ybw n ALA 563 N 2.36 0.45 -0.13 5.51 0.00 -1.26 -4.54 120.51 122.89 1ybw n ALA 563 Ca -0.17 0.41 0.15 0.00 0.00 0.00 0.00 53.44 53.83 1ybw n ALA 563 Cb 0.54 -2.16 0.52 0.00 0.00 0.00 0.00 19.45 18.35 1ybw n ALA 563 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ybw h ASP 564 N 3.19 0.35 -0.25 0.00 3.32 -1.96 -2.57 116.42 118.50 1ybw h ASP 564 Ca -0.43 0.02 -0.18 0.00 0.02 0.00 0.00 57.03 56.45 1ybw h ASP 564 Cb 1.31 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1ybw h ASP 564 CO 0.68 0.19 -0.55 1.12 -1.72 0.00 0.00 179.24 178.97 1ybw h HIS 565 N 0.38 1.02 -0.27 4.55 2.07 -1.97 -1.81 115.15 119.12 1ybw h HIS 565 Ca 0.34 -0.38 -0.08 0.00 -2.85 0.00 0.00 60.37 57.40 1ybw h HIS 565 Cb 0.80 -0.19 -0.01 0.00 2.57 0.00 0.00 27.41 30.58 1ybw h HIS 565 CO -0.00 1.20 -0.17 0.87 -3.07 0.00 0.00 177.93 176.76 1ybw h LYS 566 N 0.56 0.46 -0.34 5.12 1.57 -1.84 0.39 116.57 122.49 1ybw h LYS 566 Ca 0.00 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.50 1ybw h LYS 566 Cb 1.16 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1ybw h LYS 566 CO 0.12 0.62 -0.33 0.00 -0.57 0.00 0.00 179.45 179.29 1ybw n SER 568 N -4.07 0.91 -4.78 0.00 3.41 -0.69 -2.20 113.62 106.20 1ybw n SER 568 Ca -0.01 -0.87 -0.32 0.00 -0.26 0.00 0.00 58.87 57.41 1ybw n SER 568 Cb 0.49 0.06 0.06 0.00 -0.26 0.00 0.00 64.21 64.56 1ybw n SER 568 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ybw s SER 569 N -2.43 5.06 0.29 4.04 1.04 0.08 -3.05 113.70 118.73 1ybw s SER 569 Ca 0.27 1.87 0.00 0.00 0.48 0.00 0.00 55.95 58.57 1ybw s SER 569 Cb 0.20 -2.53 0.52 0.00 0.10 0.00 0.00 66.02 64.30 1ybw s SER 569 CO 0.49 -1.66 1.89 1.55 0.98 0.00 0.00 173.24 176.48 1ybw h PRO 570 N -0.36 1.01 0.00 4.02 0.13 -1.89 0.23 132.00 135.14 1ybw h PRO 570 Ca -0.45 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1ybw h PRO 570 Cb 1.23 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1ybw h PRO 570 CO 0.54 0.67 0.00 -0.85 -0.23 0.00 0.00 178.00 178.13 1ybw n GLU 571 N -4.52 0.58 0.00 0.86 0.00 -1.26 -4.26 120.64 112.04 1ybw n GLU 571 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.31 1ybw n GLU 571 Cb 0.24 -1.20 0.00 0.00 0.00 0.00 0.00 31.44 30.48 1ybw n GLU 571 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1ybw n VAL 572 N -0.70 0.00 0.00 3.84 0.31 -0.93 -5.01 118.33 115.84 1ybw n VAL 572 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1ybw n VAL 572 Cb 0.02 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 1ybw n VAL 572 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1ybw n TYR 573 N -0.72 0.00 0.00 3.52 4.01 -0.94 -5.04 117.16 117.99 1ybw n TYR 573 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1ybw n TYR 573 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1ybw n TYR 573 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ybw n GLY 574 N 1.09 3.19 0.06 2.72 0.00 0.77 -0.78 105.19 112.24 1ybw n GLY 574 Ca 0.00 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1ybw n GLY 574 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ybw n ALA 575 N 10.70 1.99 -0.01 4.61 0.00 -1.26 -3.49 120.51 133.05 1ybw n ALA 575 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1ybw n ALA 575 Cb 0.00 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.00 1ybw n ALA 575 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ybw h ASP 576 N 0.00 0.13 -1.87 0.00 3.32 -1.32 -3.41 116.42 113.26 1ybw h ASP 576 Ca 0.00 -0.13 -0.52 0.00 0.02 0.00 0.00 57.03 56.40 1ybw h ASP 576 Cb 0.47 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 1ybw h ASP 576 CO 0.00 0.23 1.53 -0.51 -1.72 0.00 0.00 179.24 178.76 1ybw s ILE 577 N -5.67 3.08 0.70 0.35 1.10 -1.23 -4.96 121.20 114.58 1ybw s ILE 577 Ca -0.14 0.07 -0.12 0.00 -0.51 0.00 0.00 60.65 59.95 1ybw s ILE 577 Cb 0.06 -3.16 0.02 0.00 0.15 0.00 0.00 42.46 39.53 1ybw s ILE 577 CO 0.68 -0.13 1.08 -0.55 -2.11 0.00 0.00 174.94 173.91 1ybw s SER 578 N 9.95 5.10 0.00 4.50 0.15 -1.26 -4.91 113.70 127.23 1ybw s SER 578 Ca 0.94 1.75 0.18 0.00 0.70 0.00 0.00 55.95 59.53 1ybw s SER 578 Cb -0.23 -2.51 0.89 0.00 -1.71 0.00 0.00 66.02 62.46 1ybw s SER 578 CO 0.29 -1.63 1.55 -0.81 1.20 0.00 0.00 173.24 173.84 1ybw n PRO 579 N -3.05 0.21 -0.80 5.44 -0.04 -1.26 -1.99 135.00 133.51 1ybw n PRO 579 Ca 0.08 0.13 0.08 0.00 -0.04 0.00 0.00 63.50 63.75 1ybw n PRO 579 Cb 0.53 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.88 1ybw n PRO 579 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ybw n ASN 580 N -1.32 5.38 -4.03 3.54 3.02 -1.26 -4.93 115.26 115.66 1ybw n ASN 580 Ca 0.08 -2.80 -0.17 0.00 -0.03 0.00 0.00 54.58 51.65 1ybw n ASN 580 Cb 0.16 -0.65 -0.09 0.00 -0.61 0.00 0.00 39.78 38.58 1ybw n ASN 580 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ybw s MET 581 N -2.51 1.51 0.24 3.52 -1.94 -0.84 -1.08 119.30 118.19 1ybw s MET 581 Ca 0.53 -1.85 -0.17 0.00 -1.71 0.00 0.00 55.69 52.50 1ybw s MET 581 Cb 0.39 -0.02 0.01 0.00 2.01 0.00 0.00 34.83 37.22 1ybw s MET 581 CO 0.18 -0.43 0.57 -0.48 -0.01 0.00 0.00 175.02 174.84 1ybw s LEU 582 N -3.33 0.06 0.05 -0.03 0.05 0.13 -4.61 118.68 111.00 1ybw s LEU 582 Ca 0.37 -0.68 0.07 0.00 0.05 0.00 0.00 54.13 53.94 1ybw s LEU 582 Cb 0.06 2.18 -0.03 0.00 -2.05 0.00 0.00 46.19 46.35 1ybw s LEU 582 CO 0.17 -1.17 -0.19 0.00 -0.55 0.00 0.00 176.35 174.60 1ybw s ALA 584 N -0.93 -1.98 0.00 0.00 0.00 -1.08 -0.89 121.76 116.89 1ybw s ALA 584 Ca 0.14 2.13 0.00 0.00 0.00 0.00 0.00 51.96 54.23 1ybw s ALA 584 Cb -0.10 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.57 1ybw s ALA 584 CO 0.05 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1ybw n GLY 585 N 3.20 0.90 3.47 0.00 0.00 -0.38 -1.28 105.19 111.11 1ybw n GLY 585 Ca -0.16 -1.81 -0.23 0.00 0.00 0.00 0.00 46.02 43.81 1ybw n GLY 585 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ybw s TYR 586 N -3.18 2.20 -1.88 1.61 1.51 -1.26 -4.42 117.35 111.92 1ybw s TYR 586 Ca 0.00 -0.48 0.25 0.00 -1.01 0.00 0.00 57.07 55.83 1ybw s TYR 586 Cb 0.00 -1.12 0.51 0.00 -0.11 0.00 0.00 41.96 41.25 1ybw s TYR 586 CO 0.00 0.56 1.41 1.19 -1.11 0.00 0.00 175.55 177.60 1ybw n PHE 587 N -0.64 0.00 -3.53 2.71 3.72 -1.25 -2.95 117.46 115.52 1ybw n PHE 587 Ca -0.05 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.07 1ybw n PHE 587 Cb 0.62 -0.08 -0.09 0.00 -0.94 0.00 0.00 39.48 38.99 1ybw n PHE 587 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1ybw n ASP 588 N -0.40 3.34 0.00 4.37 5.75 -1.25 -4.57 116.55 123.78 1ybw n ASP 588 Ca 0.11 -3.33 0.00 0.00 -0.01 0.00 0.00 54.79 51.56 1ybw n ASP 588 Cb 0.39 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 1ybw n ASP 588 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ybw n LYS 590 N 0.00 0.00 -3.76 0.00 4.81 -1.26 -4.51 118.16 113.43 1ybw n LYS 590 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.07 1ybw n LYS 590 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 1ybw n LYS 590 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1ybw s SER 591 N -4.00 6.52 -0.18 3.14 0.01 -1.26 -3.35 113.70 114.58 1ybw s SER 591 Ca 0.00 0.62 -0.35 0.00 1.31 0.00 0.00 55.95 57.53 1ybw s SER 591 Cb 0.00 -2.12 0.14 0.00 0.21 0.00 0.00 66.02 64.25 1ybw s SER 591 CO 0.00 0.37 1.22 -0.62 0.41 0.00 0.00 173.24 174.62 1ybw s ASP 592 N -1.10 -0.13 0.57 2.44 2.15 -1.17 -4.30 116.67 115.13 1ybw s ASP 592 Ca 0.19 -0.01 -0.00 0.00 0.43 0.00 0.00 52.55 53.15 1ybw s ASP 592 Cb -0.13 0.14 0.03 0.00 -0.30 0.00 0.00 42.92 42.66 1ybw s ASP 592 CO 0.08 -0.23 0.81 0.00 -0.17 0.00 0.00 175.17 175.65 1ybw s ALA 593 N -2.41 3.74 0.00 3.66 0.00 -1.26 -1.84 121.76 123.64 1ybw s ALA 593 Ca 0.10 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1ybw s ALA 593 Cb -0.01 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1ybw s ALA 593 CO -0.05 -0.81 0.00 0.00 0.00 0.00 0.00 175.76 174.91 1ybw s GLN 595 N -1.35 4.12 0.00 0.00 -0.21 -1.20 -1.18 119.66 119.83 1ybw s GLN 595 Ca 0.00 2.44 0.00 0.00 0.02 0.00 0.00 55.36 57.82 1ybw s GLN 595 Cb 0.00 -4.11 0.00 0.00 1.00 0.00 0.00 33.01 29.90 1ybw s GLN 595 CO 0.00 -0.96 0.00 0.41 -2.12 0.00 0.00 175.29 172.62 1ybw n GLY 596 N 4.45 0.97 0.20 3.09 0.00 -1.26 -0.65 105.19 111.99 1ybw n GLY 596 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1ybw n GLY 596 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ybw h ASP 597 N 1.40 0.00 -1.80 1.61 3.32 -1.48 -3.37 116.42 116.10 1ybw h ASP 597 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1ybw h ASP 597 Cb 0.00 0.00 0.14 0.00 0.22 0.00 0.00 39.33 39.69 1ybw h ASP 597 CO 0.00 0.13 -0.65 -1.20 -1.72 0.00 0.00 179.24 175.79 1ybw n SER 598 N -3.14 -1.76 0.00 6.45 7.64 -1.26 -0.78 113.62 120.77 1ybw n SER 598 Ca 0.03 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.83 1ybw n SER 598 Cb 0.57 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 1ybw n SER 598 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ybw n GLY 599 N 2.05 3.00 3.60 0.23 0.00 0.51 -0.95 105.19 113.63 1ybw n GLY 599 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1ybw n GLY 599 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ybw s GLY 600 N -1.17 1.64 0.31 -0.02 0.00 0.04 -3.76 107.32 104.37 1ybw s GLY 600 Ca 0.00 0.37 -0.12 0.00 0.00 0.00 0.00 44.72 44.97 1ybw s GLY 600 CO 0.00 0.90 0.68 2.56 0.00 0.00 0.00 173.10 177.24 1ybw s PRO 601 N -4.56 3.88 -0.32 2.90 0.04 -1.26 -0.01 135.00 135.67 1ybw s PRO 601 Ca 0.68 0.48 0.03 0.00 0.04 0.00 0.00 61.00 62.23 1ybw s PRO 601 Cb -0.24 -2.49 0.09 0.00 0.04 0.00 0.00 34.50 31.90 1ybw s PRO 601 CO 0.61 0.16 0.03 -1.17 0.04 0.00 0.00 177.00 176.67 1ybw s LEU 602 N -3.17 4.12 -0.06 -3.56 0.20 0.30 -3.97 118.68 112.55 1ybw s LEU 602 Ca 0.51 -1.93 -0.04 0.00 0.69 0.00 0.00 54.13 53.36 1ybw s LEU 602 Cb -0.10 -1.49 -0.04 0.00 -0.43 0.00 0.00 46.19 44.13 1ybw s LEU 602 CO 0.22 -0.35 0.13 0.00 -0.29 0.00 0.00 176.35 176.06 1ybw s ALA 603 N 1.05 3.80 -0.03 5.97 0.00 -0.61 -0.81 121.76 131.14 1ybw s ALA 603 Ca 0.07 -0.73 0.07 0.00 0.00 0.00 0.00 51.96 51.37 1ybw s ALA 603 Cb -0.19 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.08 1ybw s ALA 603 CO -0.10 0.67 -0.24 0.00 0.00 0.00 0.00 175.76 176.09 1ybw s GLU 605 N -0.40 2.99 -0.10 0.00 2.02 -1.26 -0.13 118.70 121.82 1ybw s GLU 605 Ca 0.05 -0.47 -0.05 0.00 0.02 0.00 0.00 54.97 54.52 1ybw s GLU 605 Cb -0.11 -2.81 0.04 0.00 0.10 0.00 0.00 34.13 31.36 1ybw s GLU 605 CO 0.01 0.67 0.22 0.21 0.02 0.00 0.00 175.26 176.39 1ybw s LYS 606 N -1.38 0.18 -1.60 1.61 2.20 -0.12 -4.87 119.74 115.76 1ybw s LYS 606 Ca 0.19 0.50 -0.14 0.00 -0.36 0.00 0.00 55.97 56.15 1ybw s LYS 606 Cb -0.12 -0.14 0.11 0.00 -1.51 0.00 0.00 37.83 36.18 1ybw s LYS 606 CO 0.09 -0.17 0.80 0.09 -0.36 0.00 0.00 175.35 175.80 1ybw n ASN 607 N 4.25 -3.30 -0.03 1.43 3.02 -1.26 -0.55 115.26 118.82 1ybw n ASN 607 Ca -0.25 -0.93 -0.00 0.00 -0.03 0.00 0.00 54.58 53.36 1ybw n ASN 607 Cb 0.53 -3.20 -0.00 0.00 -0.61 0.00 0.00 39.78 36.49 1ybw n ASN 607 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ybw n GLY 608 N -1.58 0.35 3.43 7.41 0.00 -1.26 -5.01 105.19 108.53 1ybw n GLY 608 Ca -0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1ybw n GLY 608 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ybw s VAL 609 N -1.66 2.85 -0.13 1.61 1.01 0.28 -4.72 120.40 119.63 1ybw s VAL 609 Ca 0.00 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 1ybw s VAL 609 Cb 0.00 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1ybw s VAL 609 CO 0.00 0.58 0.44 0.00 0.00 0.00 0.00 175.10 176.12 1ybw s ALA 610 N -0.59 3.50 -0.06 5.51 0.00 -0.38 -0.95 121.76 128.79 1ybw s ALA 610 Ca 0.09 -0.25 0.05 0.00 0.00 0.00 0.00 51.96 51.85 1ybw s ALA 610 Cb -0.11 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 1ybw s ALA 610 CO 0.01 0.00 -0.22 0.71 0.00 0.00 0.00 175.76 176.27 1ybw s TYR 611 N 0.63 2.51 -1.07 0.00 1.51 0.81 -1.53 117.35 120.21 1ybw s TYR 611 Ca 0.24 -0.53 -0.22 0.00 -1.01 0.00 0.00 57.07 55.55 1ybw s TYR 611 Cb -0.15 -1.61 0.05 0.00 -0.11 0.00 0.00 41.96 40.14 1ybw s TYR 611 CO 0.09 -0.09 1.54 -1.17 -1.11 0.00 0.00 175.55 174.81 1ybw s LEU 612 N -0.33 3.55 0.14 -1.29 2.96 0.53 -0.77 118.68 123.47 1ybw s LEU 612 Ca 0.02 -1.62 0.11 0.00 -0.22 0.00 0.00 54.13 52.42 1ybw s LEU 612 Cb -0.12 -2.57 -0.12 0.00 0.50 0.00 0.00 46.19 43.87 1ybw s LEU 612 CO 0.02 -1.53 1.21 0.22 -1.32 0.00 0.00 176.35 174.95 1ybw h TYR 613 N 9.42 0.00 -3.25 5.38 3.20 -1.63 -3.42 116.97 126.68 1ybw h TYR 613 Ca 0.25 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 1ybw h TYR 613 Cb 0.98 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 39.14 1ybw h TYR 613 CO 1.31 0.81 0.05 0.20 -1.64 0.00 0.00 178.16 178.89 1ybw s GLY 614 N -4.69 -0.28 -0.07 1.82 0.00 0.01 -2.24 107.32 101.87 1ybw s GLY 614 Ca 0.01 0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.77 1ybw s GLY 614 CO 0.80 -0.17 -0.17 -0.42 0.00 0.00 0.00 173.10 173.14 1ybw s ILE 615 N -3.82 2.76 -0.00 0.90 1.01 -1.04 0.11 121.20 121.11 1ybw s ILE 615 Ca 0.05 -0.81 -0.30 0.00 0.00 0.00 0.00 60.65 59.59 1ybw s ILE 615 Cb -0.00 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 1ybw s ILE 615 CO -0.08 0.57 1.34 -0.63 0.00 0.00 0.00 174.94 176.14 1ybw s ILE 616 N -0.31 3.84 0.00 2.92 1.01 0.99 -2.11 121.20 127.54 1ybw s ILE 616 Ca 0.02 1.23 0.00 0.00 0.00 0.00 0.00 60.65 61.89 1ybw s ILE 616 Cb -0.13 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.56 1ybw s ILE 616 CO 0.03 0.01 0.00 -0.24 0.00 0.00 0.00 174.94 174.73 1ybw n SER 617 N 5.17 0.00 0.27 3.58 2.88 -1.26 -0.36 113.62 123.90 1ybw n SER 617 Ca 0.12 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.82 1ybw n SER 617 Cb 0.44 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.62 1ybw n SER 617 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 1ybw h TRP 618 N 0.00 0.00 -5.10 0.66 4.06 -1.94 -3.38 115.95 110.26 1ybw h TRP 618 Ca 0.00 0.00 -0.40 0.00 2.06 0.00 0.00 58.89 60.55 1ybw h TRP 618 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1ybw h TRP 618 CO 0.00 0.06 -0.59 0.41 -3.56 0.00 0.00 178.44 174.76 1ybw n GLY 619 N -0.19 -0.50 0.14 1.49 0.00 -1.26 -4.66 105.19 100.20 1ybw n GLY 619 Ca -0.00 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 1ybw n GLY 619 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ybw h ASP 620 N -1.28 -0.27 -0.55 1.61 5.19 -1.86 -3.16 116.42 116.10 1ybw h ASP 620 Ca -0.49 0.01 0.08 0.00 -0.62 0.00 0.00 57.03 56.02 1ybw h ASP 620 Cb 1.33 0.07 -0.09 0.00 0.18 0.00 0.00 39.33 40.82 1ybw h ASP 620 CO 0.56 -0.05 -0.21 0.61 -3.12 0.00 0.00 179.24 177.02 1ybw n GLY 621 N 0.43 -1.13 2.26 2.75 0.00 -1.26 -4.71 105.19 103.54 1ybw n GLY 621 Ca -0.04 0.61 -0.16 0.00 0.00 0.00 0.00 46.02 46.44 1ybw n GLY 621 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ybw n GLY 623 N -0.41 3.20 0.12 0.00 0.00 -1.26 -4.63 105.19 102.21 1ybw n GLY 623 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 1ybw n GLY 623 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ybw h ARG 624 N 1.28 0.33 -5.50 1.61 0.11 -1.58 -3.40 114.38 107.23 1ybw h ARG 624 Ca 0.00 -0.56 -0.32 0.00 0.10 0.00 0.00 59.98 59.20 1ybw h ARG 624 Cb 0.00 0.21 0.00 0.00 1.11 0.00 0.00 29.97 31.29 1ybw h ARG 624 CO 0.00 1.27 1.16 1.28 0.10 0.00 0.00 179.97 183.78 1ybw n LEU 625 N -4.06 2.03 -0.63 0.08 4.77 -1.24 -4.77 117.00 113.18 1ybw n LEU 625 Ca -0.15 -0.79 0.48 0.00 -0.03 0.00 0.00 56.01 55.51 1ybw n LEU 625 Cb 0.87 -1.57 0.73 0.00 -2.33 0.00 0.00 43.42 41.12 1ybw n LEU 625 CO 0.50 -1.88 1.33 1.41 -1.33 0.00 0.00 177.39 177.42 1ybw n HIS 626 N 16.48 0.03 -2.20 -1.77 8.25 -1.26 -4.59 115.22 130.16 1ybw n HIS 626 Ca 0.42 0.04 -0.27 0.00 -0.26 0.00 0.00 57.72 57.64 1ybw n HIS 626 Cb 0.49 -0.48 0.12 0.00 1.12 0.00 0.00 29.99 31.23 1ybw n HIS 626 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1ybw s LYS 627 N -4.68 1.56 1.13 -0.41 0.00 -1.26 -3.78 119.74 112.30 1ybw s LYS 627 Ca -0.05 -0.50 -0.19 0.00 0.00 0.00 0.00 55.97 55.23 1ybw s LYS 627 Cb 0.24 -2.10 0.29 0.00 0.00 0.00 0.00 37.83 36.26 1ybw s LYS 627 CO 0.80 -1.68 0.89 -0.35 0.00 0.00 0.00 175.35 175.00 1ybw n PRO 628 N -3.19 -3.40 -2.27 1.78 -0.04 -1.15 -4.72 135.00 122.01 1ybw n PRO 628 Ca 0.12 -1.44 -0.25 0.00 -0.04 0.00 0.00 63.50 61.89 1ybw n PRO 628 Cb 0.60 -1.49 0.09 0.00 -0.04 0.00 0.00 33.50 32.65 1ybw n PRO 628 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ybw s GLY 629 N -3.81 1.72 -0.15 0.55 0.00 -0.40 -4.84 107.32 100.39 1ybw s GLY 629 Ca 0.60 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 44.21 1ybw s GLY 629 CO 0.48 -0.65 -0.12 0.14 0.00 0.00 0.00 173.10 172.94 1ybw s VAL 630 N -3.27 1.47 0.08 1.40 1.01 -1.26 -2.63 120.40 117.21 1ybw s VAL 630 Ca 0.62 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 62.10 1ybw s VAL 630 Cb -0.09 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1ybw s VAL 630 CO 0.45 0.41 -0.25 -0.31 0.00 0.00 0.00 175.10 175.41 1ybw s TYR 631 N 1.52 2.14 0.16 5.22 1.51 0.10 -4.16 117.35 123.84 1ybw s TYR 631 Ca 0.04 -0.40 -0.31 0.00 -1.01 0.00 0.00 57.07 55.39 1ybw s TYR 631 Cb -0.13 -1.22 -0.11 0.00 -0.11 0.00 0.00 41.96 40.39 1ybw s TYR 631 CO -0.10 0.20 1.74 0.99 -1.11 0.00 0.00 175.55 177.27 1ybw s THR 632 N -0.94 2.37 -0.42 -0.71 2.01 -0.90 0.17 115.64 117.22 1ybw s THR 632 Ca 0.11 0.12 -0.29 0.00 0.31 0.00 0.00 61.69 61.94 1ybw s THR 632 Cb -0.10 -3.08 0.02 0.00 0.01 0.00 0.00 72.50 69.35 1ybw s THR 632 CO 0.04 0.01 1.22 -0.60 -0.69 0.00 0.00 174.62 174.60 1ybw s ARG 633 N 1.87 3.74 0.20 4.92 3.52 -0.24 -2.49 118.95 130.47 1ybw s ARG 633 Ca 0.76 0.80 -0.07 0.00 -0.13 0.00 0.00 55.73 57.09 1ybw s ARG 633 Cb -0.47 -3.92 0.13 0.00 -1.56 0.00 0.00 34.95 29.13 1ybw s ARG 633 CO 0.34 -1.35 1.66 0.28 -0.81 0.00 0.00 175.30 175.41 1ybw h VAL 634 N 6.21 1.26 -1.20 7.11 2.07 -1.73 -3.27 116.25 126.70 1ybw h VAL 634 Ca -0.24 -1.16 0.37 0.00 0.82 0.00 0.00 66.70 66.48 1ybw h VAL 634 Cb 1.08 0.87 -0.12 0.00 -1.52 0.00 0.00 31.29 31.60 1ybw h VAL 634 CO 1.10 0.42 0.77 0.00 0.02 0.00 0.00 177.57 179.87 1ybw h ALA 635 N 1.04 2.51 -0.12 1.67 0.00 -1.84 0.29 119.26 122.81 1ybw h ALA 635 Ca 0.16 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1ybw h ALA 635 Cb 0.57 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ybw h ALA 635 CO 0.03 -1.06 0.01 0.09 0.00 0.00 0.00 179.25 178.33 1ybw n ASN 636 N -4.69 2.02 0.00 0.00 3.02 -1.23 -1.49 115.26 112.89 1ybw n ASN 636 Ca 0.33 -2.19 0.00 0.00 -0.03 0.00 0.00 54.58 52.68 1ybw n ASN 636 Cb 1.21 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 1ybw n ASN 636 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ybw n TYR 637 N 0.13 0.00 -0.23 3.10 4.01 0.08 -4.86 117.16 119.39 1ybw n TYR 637 Ca 0.06 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.81 1ybw n TYR 637 Cb 0.46 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.62 1ybw n TYR 637 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1ybw h VAL 638 N 0.28 0.79 -0.14 -0.72 2.07 -1.59 0.75 116.25 117.70 1ybw h VAL 638 Ca 0.00 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 1ybw h VAL 638 Cb 0.14 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1ybw h VAL 638 CO 0.00 0.09 -0.23 0.44 0.02 0.00 0.00 177.57 177.89 1ybw h ASP 639 N 0.49 0.23 -0.15 0.57 3.32 -1.89 0.29 116.42 119.29 1ybw h ASP 639 Ca 0.33 -0.06 -0.20 0.00 0.02 0.00 0.00 57.03 57.13 1ybw h ASP 639 Cb 0.40 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.89 1ybw h ASP 639 CO -0.30 0.47 -0.67 -0.25 -1.72 0.00 0.00 179.24 176.77 1ybw h TRP 640 N 0.22 0.96 -0.07 4.55 7.01 -1.35 -2.86 115.95 124.41 1ybw h TRP 640 Ca 0.04 -0.42 -0.00 0.00 2.11 0.00 0.00 58.89 60.62 1ybw h TRP 640 Cb 0.53 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 27.44 1ybw h TRP 640 CO 0.01 1.23 0.03 0.82 -2.79 0.00 0.00 178.44 177.74 1ybw h ILE 641 N 0.41 1.09 0.00 2.65 2.04 0.89 -3.08 117.51 121.51 1ybw h ILE 641 Ca -0.04 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1ybw h ILE 641 Cb 1.30 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1ybw h ILE 641 CO 0.14 0.08 -0.02 0.78 0.00 0.00 0.00 178.15 179.13 1ybw h ASN 642 N -0.00 0.00 0.74 1.72 2.35 -0.44 -0.43 115.58 119.53 1ybw h ASN 642 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1ybw h ASN 642 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1ybw h ASN 642 CO -0.00 0.02 0.00 0.47 -1.65 0.00 0.00 177.43 176.27 1ybw n ASP 643 N -3.90 0.47 -0.10 5.81 9.92 -1.08 -2.91 116.55 124.76 1ybw n ASP 643 Ca -0.03 0.60 -0.13 0.00 -0.53 0.00 0.00 54.79 54.71 1ybw n ASP 643 Cb 0.11 -0.71 -0.15 0.00 -0.64 0.00 0.00 41.12 39.74 1ybw n ASP 643 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ybw n ARG 644 N -2.00 0.68 0.00 -1.24 5.12 -0.19 -5.14 116.66 113.88 1ybw n ARG 644 Ca 0.03 0.07 0.15 0.00 -1.93 0.00 0.00 57.85 56.18 1ybw n ARG 644 Cb 0.24 -1.55 0.83 0.00 -1.16 0.00 0.00 32.46 30.82 1ybw n ARG 644 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81