#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gen s GLY 393 N 0.00 1.70 0.47 2.72 0.00 -1.26 -4.93 107.32 106.02 3gen s GLY 393 Ca 0.00 -1.00 0.17 0.00 0.00 0.00 0.00 44.72 43.90 3gen s GLY 393 CO 0.00 -0.30 2.02 1.48 0.00 0.00 0.00 173.10 176.29 3gen h SER 394 N -1.56 0.00 0.01 1.64 4.64 -2.02 -1.54 113.55 114.72 3gen h SER 394 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3gen h SER 394 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3gen h SER 394 CO 0.46 0.17 -0.01 -2.67 -0.87 0.00 0.00 176.83 173.91 3gen n TRP 395 N -4.17 0.00 -4.08 4.77 2.14 -1.26 -4.87 117.44 109.97 3gen n TRP 395 Ca -0.02 0.00 -0.35 0.00 2.07 0.00 0.00 57.50 59.20 3gen n TRP 395 Cb 0.24 -0.01 -0.13 0.00 -0.81 0.00 0.00 31.31 30.60 3gen n TRP 395 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 3gen s GLU 396 N -2.03 3.49 -0.05 -2.67 2.02 -0.58 -0.55 118.70 118.33 3gen s GLU 396 Ca 0.40 -0.58 -0.10 0.00 0.02 0.00 0.00 54.97 54.70 3gen s GLU 396 Cb 0.21 -3.00 -0.05 0.00 0.10 0.00 0.00 34.13 31.39 3gen s GLU 396 CO 0.35 -0.06 0.28 0.42 0.02 0.00 0.00 175.26 176.27 3gen s ILE 397 N 1.14 5.27 -0.30 -1.63 1.01 -0.29 -4.61 121.20 121.78 3gen s ILE 397 Ca 0.02 0.47 -0.29 0.00 0.00 0.00 0.00 60.65 60.85 3gen s ILE 397 Cb -0.15 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.77 3gen s ILE 397 CO 0.00 0.56 1.27 -0.62 0.00 0.00 0.00 174.94 176.15 3gen s ASP 398 N -1.16 6.72 0.64 3.58 -1.08 -1.26 -4.51 116.67 119.59 3gen s ASP 398 Ca 0.21 1.20 0.41 0.00 -0.52 0.00 0.00 52.55 53.85 3gen s ASP 398 Cb -0.14 -2.54 2.24 0.00 -1.46 0.00 0.00 42.92 41.01 3gen s ASP 398 CO 0.10 -1.04 2.33 1.55 0.52 0.00 0.00 175.17 178.62 3gen h PRO 399 N 9.09 0.00 0.00 4.34 0.13 -1.97 -0.45 132.00 143.14 3gen h PRO 399 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3gen h PRO 399 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3gen h PRO 399 CO 1.03 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 179.68 3gen h LYS 400 N 0.00 0.00 -0.00 0.86 1.57 -2.03 -1.94 116.57 115.03 3gen h LYS 400 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gen h LYS 400 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3gen h LYS 400 CO 0.00 0.00 -0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 3gen n ASP 401 N -2.40 0.02 -4.85 0.86 8.00 -0.18 -4.86 116.55 113.15 3gen n ASP 401 Ca 0.02 -0.32 -0.38 0.00 0.71 0.00 0.00 54.79 54.81 3gen n ASP 401 Cb 0.23 -0.22 -0.06 0.00 -0.02 0.00 0.00 41.12 41.05 3gen n ASP 401 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gen s LEU 402 N -2.46 4.46 -0.14 0.64 1.43 -0.73 -0.02 118.68 121.87 3gen s LEU 402 Ca 0.32 0.87 0.02 0.00 -1.03 0.00 0.00 54.13 54.31 3gen s LEU 402 Cb 0.21 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.96 3gen s LEU 402 CO 0.44 0.34 -0.19 -0.89 0.23 0.00 0.00 176.35 176.29 3gen s THR 403 N -1.07 1.85 -0.16 5.49 2.01 -0.00 -4.98 115.64 118.77 3gen s THR 403 Ca 0.22 -0.84 -0.18 0.00 0.31 0.00 0.00 61.69 61.20 3gen s THR 403 Cb -0.16 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 3gen s THR 403 CO 0.12 0.51 0.47 -0.36 -0.69 0.00 0.00 174.62 174.67 3gen s PHE 404 N 1.01 3.44 -0.08 4.92 0.08 -1.26 -0.83 117.98 125.25 3gen s PHE 404 Ca -0.04 0.80 -0.00 0.00 0.12 0.00 0.00 56.93 57.81 3gen s PHE 404 Cb -0.15 -2.58 -0.05 0.00 -0.57 0.00 0.00 43.02 39.67 3gen s PHE 404 CO -0.05 0.05 -0.08 1.28 -0.10 0.00 0.00 175.22 176.32 3gen n LEU 405 N 4.20 2.62 -3.61 -0.37 4.77 0.07 -4.98 117.00 119.70 3gen n LEU 405 Ca -0.07 -0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.74 3gen n LEU 405 Cb 0.51 -0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 41.25 3gen n LEU 405 CO 0.42 0.57 0.27 -1.59 -1.33 0.00 0.00 177.39 175.73 3gen s LYS 406 N -2.16 0.93 0.06 3.23 -2.85 -1.00 -5.01 119.74 112.94 3gen s LYS 406 Ca -0.11 0.00 -0.28 0.00 -1.00 0.00 0.00 55.97 54.58 3gen s LYS 406 Cb 0.03 0.43 -0.05 0.00 -2.06 0.00 0.00 37.83 36.18 3gen s LYS 406 CO 0.18 -0.29 0.90 -2.00 0.10 0.00 0.00 175.35 174.24 3gen s GLU 407 N -1.52 4.60 -0.05 1.78 2.12 -1.26 -0.14 118.70 124.22 3gen s GLU 407 Ca -0.10 1.31 0.20 0.00 0.36 0.00 0.00 54.97 56.73 3gen s GLU 407 Cb -0.02 -3.40 -0.30 0.00 0.26 0.00 0.00 34.13 30.67 3gen s GLU 407 CO 0.06 0.16 0.39 1.28 -0.54 0.00 0.00 175.26 176.61 3gen n LEU 408 N 3.10 0.00 0.00 2.70 4.77 0.25 -4.89 117.00 122.93 3gen n LEU 408 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3gen n LEU 408 Cb 0.50 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3gen n LEU 408 CO 0.50 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3gen n GLY 409 N 1.43 1.71 4.94 -0.72 0.00 -1.16 -4.98 105.19 106.40 3gen n GLY 409 Ca -0.07 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.95 3gen n GLY 409 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3gen n PHE 413 N -1.69 0.00 0.00 1.61 -0.00 -1.26 -0.35 117.46 115.78 3gen n PHE 413 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3gen n PHE 413 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 3gen n PHE 413 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3gen n GLY 414 N 0.00 0.13 3.28 4.97 0.00 -1.26 -1.11 105.19 111.19 3gen n GLY 414 Ca 0.00 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 3gen n GLY 414 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gen s VAL 415 N -2.37 1.64 -0.07 1.61 1.01 -1.19 -5.01 120.40 116.01 3gen s VAL 415 Ca 0.00 -1.57 0.05 0.00 0.00 0.00 0.00 61.98 60.47 3gen s VAL 415 Cb 0.00 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 3gen s VAL 415 CO 0.00 -0.12 -0.24 -0.69 0.00 0.00 0.00 175.10 174.05 3gen s VAL 416 N -1.32 1.99 0.18 2.92 1.01 0.53 -0.93 120.40 124.79 3gen s VAL 416 Ca 0.07 -1.01 0.11 0.00 0.00 0.00 0.00 61.98 61.15 3gen s VAL 416 Cb -0.09 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3gen s VAL 416 CO 0.04 0.55 -0.24 -0.54 0.00 0.00 0.00 175.10 174.91 3gen s LYS 417 N 0.06 1.49 -0.02 2.72 1.02 0.13 -0.59 119.74 124.56 3gen s LYS 417 Ca -0.10 -1.50 -0.14 0.00 0.02 0.00 0.00 55.97 54.25 3gen s LYS 417 Cb -0.15 -1.81 -0.05 0.00 -0.52 0.00 0.00 37.83 35.30 3gen s LYS 417 CO 0.06 0.39 0.38 -0.47 -0.92 0.00 0.00 175.35 174.79 3gen s TYR 418 N -1.64 3.71 0.08 3.18 5.04 0.80 -0.20 117.35 128.31 3gen s TYR 418 Ca 0.20 0.94 -0.03 0.00 -2.44 0.00 0.00 57.07 55.74 3gen s TYR 418 Cb -0.08 -2.26 0.01 0.00 0.35 0.00 0.00 41.96 39.98 3gen s TYR 418 CO 0.09 0.64 0.16 0.41 -1.34 0.00 0.00 175.55 175.52 3gen n GLY 419 N 1.88 1.77 3.44 8.97 0.00 -0.52 -0.75 105.19 119.98 3gen n GLY 419 Ca -0.14 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 3gen n GLY 419 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gen s LYS 420 N -2.02 2.20 -0.20 1.61 -0.14 -0.01 -1.15 119.74 120.03 3gen s LYS 420 Ca 0.03 -0.89 -0.09 0.00 -1.36 0.00 0.00 55.97 53.66 3gen s LYS 420 Cb -0.01 -2.22 -0.05 0.00 -1.68 0.00 0.00 37.83 33.87 3gen s LYS 420 CO 0.02 0.57 0.11 -0.46 -0.76 0.00 0.00 175.35 174.83 3gen s TRP 421 N -0.82 3.34 -1.67 3.18 -0.00 0.70 -0.82 118.94 122.85 3gen s TRP 421 Ca 0.13 0.21 -0.18 0.00 -0.00 0.00 0.00 56.10 56.26 3gen s TRP 421 Cb -0.10 -2.15 0.15 0.00 -0.00 0.00 0.00 33.47 31.36 3gen s TRP 421 CO 0.03 0.20 0.82 0.54 -0.00 0.00 0.00 176.95 178.54 3gen n ARG 422 N 3.67 -3.58 -0.84 5.86 1.74 0.98 -2.23 116.66 122.26 3gen n ARG 422 Ca -0.16 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 3gen n ARG 422 Cb 0.52 -5.18 0.00 0.00 -1.02 0.00 0.00 32.46 26.78 3gen n ARG 422 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gen n GLY 423 N -1.43 0.63 0.69 -0.13 0.00 -1.26 -4.69 105.19 99.00 3gen n GLY 423 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3gen n GLY 423 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3gen n GLN 424 N -1.97 0.00 -3.73 1.61 7.27 -0.98 -5.04 117.38 114.54 3gen n GLN 424 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.71 3gen n GLN 424 Cb 0.01 -0.50 -0.09 0.00 2.41 0.00 0.00 30.24 32.07 3gen n GLN 424 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 3gen s TYR 425 N -1.69 3.33 0.22 3.69 2.02 -0.95 -4.87 117.35 119.10 3gen s TYR 425 Ca 0.00 0.22 -0.32 0.00 -0.37 0.00 0.00 57.07 56.60 3gen s TYR 425 Cb 0.00 -2.21 -0.12 0.00 -0.40 0.00 0.00 41.96 39.23 3gen s TYR 425 CO 0.00 0.14 1.67 -0.25 -1.57 0.00 0.00 175.55 175.53 3gen n ASP 426 N 3.96 3.82 -4.02 2.29 10.43 -1.26 -0.21 116.55 131.56 3gen n ASP 426 Ca -0.16 1.09 -0.08 0.00 2.57 0.00 0.00 54.79 58.21 3gen n ASP 426 Cb 0.52 -1.56 -0.10 0.00 1.84 0.00 0.00 41.12 41.82 3gen n ASP 426 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 3gen s VAL 427 N 0.83 0.17 -0.06 2.53 -7.23 -0.30 -4.37 120.40 111.98 3gen s VAL 427 Ca 0.73 -1.41 -0.02 0.00 -1.81 0.00 0.00 61.98 59.46 3gen s VAL 427 Cb -0.53 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 3gen s VAL 427 CO 0.37 -0.78 0.08 0.00 -0.31 0.00 0.00 175.10 174.46 3gen s ALA 428 N -3.04 3.58 -0.28 1.32 0.00 0.35 -1.44 121.76 122.25 3gen s ALA 428 Ca -0.01 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.18 3gen s ALA 428 Cb 0.01 -1.65 0.07 0.00 0.00 0.00 0.00 23.12 21.55 3gen s ALA 428 CO -0.07 0.65 -0.05 0.42 0.00 0.00 0.00 175.76 176.71 3gen s ILE 429 N -1.07 2.09 -0.31 0.00 1.09 0.72 -1.10 121.20 122.62 3gen s ILE 429 Ca 0.18 -1.80 -0.20 0.00 -1.10 0.00 0.00 60.65 57.73 3gen s ILE 429 Cb -0.12 -2.33 -0.01 0.00 -1.06 0.00 0.00 42.46 38.94 3gen s ILE 429 CO 0.08 -0.23 0.62 -0.75 -0.10 0.00 0.00 174.94 174.57 3gen s LYS 430 N 1.09 3.88 -0.26 2.79 2.20 0.02 -0.69 119.74 128.76 3gen s LYS 430 Ca -0.02 0.27 -0.10 0.00 -0.36 0.00 0.00 55.97 55.76 3gen s LYS 430 Cb -0.19 -3.73 -0.04 0.00 -1.51 0.00 0.00 37.83 32.35 3gen s LYS 430 CO -0.07 -0.58 0.15 -1.64 -0.36 0.00 0.00 175.35 172.85 3gen s MET 431 N 2.60 3.89 -0.35 4.03 -1.94 -0.10 0.22 119.30 127.64 3gen s MET 431 Ca 0.25 -0.36 -0.18 0.00 -1.71 0.00 0.00 55.69 53.69 3gen s MET 431 Cb -0.15 -3.54 -0.00 0.00 2.01 0.00 0.00 34.83 33.15 3gen s MET 431 CO 0.12 -0.13 0.50 0.42 -0.01 0.00 0.00 175.02 175.92 3gen s ILE 432 N 1.56 5.03 0.59 2.53 -1.09 0.50 -3.19 121.20 127.13 3gen s ILE 432 Ca 0.07 0.28 -0.20 0.00 -2.23 0.00 0.00 60.65 58.56 3gen s ILE 432 Cb -0.15 -3.96 -0.03 0.00 -1.58 0.00 0.00 42.46 36.73 3gen s ILE 432 CO 0.08 -0.23 1.33 -1.59 -1.23 0.00 0.00 174.94 173.30 3gen s LYS 433 N 2.36 2.87 0.22 2.79 -2.85 -0.27 -3.54 119.74 121.32 3gen s LYS 433 Ca 0.18 2.15 -0.32 0.00 -1.00 0.00 0.00 55.97 56.98 3gen s LYS 433 Cb -0.16 -2.06 -0.13 0.00 -2.06 0.00 0.00 37.83 33.42 3gen s LYS 433 CO 0.13 -1.37 1.59 0.39 0.10 0.00 0.00 175.35 176.19 3gen n GLU 434 N -1.44 2.41 -0.86 1.78 -0.58 -1.26 -2.49 120.64 118.20 3gen n GLU 434 Ca 0.13 0.87 0.00 0.00 -0.42 0.00 0.00 57.16 57.74 3gen n GLU 434 Cb 0.46 -2.64 0.00 0.00 -0.57 0.00 0.00 31.44 28.70 3gen n GLU 434 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gen n GLY 435 N 3.09 1.25 0.08 0.62 0.00 -1.26 -4.88 105.19 104.09 3gen n GLY 435 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 3gen n GLY 435 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gen h SER 436 N 0.00 0.00 -4.23 1.61 4.64 -1.86 -3.45 113.55 110.26 3gen h SER 436 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 3gen h SER 436 Cb 0.00 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 61.85 3gen h SER 436 CO 0.00 0.89 -0.83 -0.32 -0.87 0.00 0.00 176.83 175.69 3gen s MET 437 N -2.73 1.25 -1.11 4.77 -2.45 -1.26 -1.31 119.30 116.47 3gen s MET 437 Ca -0.01 -1.05 -0.22 0.00 -1.25 0.00 0.00 55.69 53.17 3gen s MET 437 Cb 0.09 -1.44 0.03 0.00 1.25 0.00 0.00 34.83 34.75 3gen s MET 437 CO 0.81 0.35 1.67 0.45 1.05 0.00 0.00 175.02 179.35 3gen s SER 438 N -1.54 6.23 0.08 1.11 0.15 0.41 -4.88 113.70 115.27 3gen s SER 438 Ca 0.07 -1.67 -0.20 0.00 0.70 0.00 0.00 55.95 54.85 3gen s SER 438 Cb -0.09 -2.57 -0.09 0.00 -1.71 0.00 0.00 66.02 61.55 3gen s SER 438 CO 0.03 -1.77 1.56 -0.33 1.20 0.00 0.00 173.24 173.93 3gen h GLU 439 N 9.32 0.33 -0.72 5.44 5.08 -1.97 -1.22 114.58 130.84 3gen h GLU 439 Ca 0.26 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 3gen h GLU 439 Cb 0.96 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 3gen h GLU 439 CO 1.38 0.48 0.46 -0.44 -1.00 0.00 0.00 179.01 179.89 3gen h ASP 440 N 0.14 0.76 -0.51 1.42 3.32 -2.00 -0.15 116.42 119.40 3gen h ASP 440 Ca 0.06 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3gen h ASP 440 Cb 0.30 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3gen h ASP 440 CO 0.00 0.53 0.21 -0.33 -1.72 0.00 0.00 179.24 177.94 3gen h GLU 441 N 0.91 0.76 -0.81 3.56 5.08 -1.94 -2.63 114.58 119.50 3gen h GLU 441 Ca 0.28 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3gen h GLU 441 Cb -0.02 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 3gen h GLU 441 CO -0.09 0.67 0.43 0.35 -1.00 0.00 0.00 179.01 179.36 3gen h PHE 442 N 0.68 1.14 -0.63 4.33 3.57 -0.71 -2.04 116.94 123.28 3gen h PHE 442 Ca 0.17 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3gen h PHE 442 Cb 0.19 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 3gen h PHE 442 CO 0.00 0.80 0.26 0.82 -2.23 0.00 0.00 178.31 177.97 3gen h ILE 443 N 1.14 1.23 -0.68 1.41 2.04 -0.85 0.31 117.51 122.12 3gen h ILE 443 Ca 0.28 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.37 3gen h ILE 443 Cb 0.06 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 3gen h ILE 443 CO -0.04 0.28 0.21 -0.08 0.00 0.00 0.00 178.15 178.52 3gen h GLU 444 N 0.89 1.06 -0.07 2.37 4.57 -1.34 -2.89 114.58 119.17 3gen h GLU 444 Ca 0.21 -0.23 -0.12 0.00 -1.18 0.00 0.00 59.36 58.04 3gen h GLU 444 Cb 0.19 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 3gen h GLU 444 CO -0.02 0.92 -0.49 1.49 -1.18 0.00 0.00 179.01 179.73 3gen h GLU 445 N 0.99 0.18 -0.97 1.92 4.57 -0.65 -2.81 114.58 117.80 3gen h GLU 445 Ca 0.22 -0.10 0.20 0.00 -1.18 0.00 0.00 59.36 58.50 3gen h GLU 445 Cb 0.31 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.81 3gen h GLU 445 CO -0.01 0.63 0.62 0.00 -1.18 0.00 0.00 179.01 179.07 3gen h ALA 446 N 1.35 1.94 -0.60 2.92 0.00 -0.18 0.48 119.26 125.17 3gen h ALA 446 Ca 0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3gen h ALA 446 Cb 0.92 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3gen h ALA 446 CO 0.07 -0.28 0.30 0.87 0.00 0.00 0.00 179.25 180.21 3gen h LYS 447 N 0.59 0.85 -0.22 0.00 1.57 -1.51 0.85 116.57 118.69 3gen h LYS 447 Ca 0.54 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 59.08 3gen h LYS 447 Cb 1.06 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 3gen h LYS 447 CO -0.29 0.65 -0.39 0.28 -0.57 0.00 0.00 179.45 179.13 3gen h VAL 448 N 0.85 1.32 -0.09 0.50 2.07 -1.07 -3.28 116.25 116.55 3gen h VAL 448 Ca 0.21 -1.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.06 3gen h VAL 448 Cb 0.07 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3gen h VAL 448 CO -0.03 0.50 -0.28 0.24 0.02 0.00 0.00 177.57 178.02 3gen h MET 449 N 0.36 0.16 -0.30 1.57 2.86 -0.54 -2.51 114.93 116.54 3gen h MET 449 Ca 0.02 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3gen h MET 449 Cb 0.98 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 3gen h MET 449 CO 0.09 0.44 0.19 0.52 1.06 0.00 0.00 176.91 179.20 3gen h MET 450 N 0.14 0.39 -0.00 1.72 2.07 -0.91 -2.59 114.93 115.75 3gen h MET 450 Ca 0.02 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3gen h MET 450 Cb 0.58 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 30.23 3gen h MET 450 CO 0.04 0.27 -0.18 0.09 1.07 0.00 0.00 176.91 178.19 3gen n ASN 451 N -4.49 0.35 -4.73 1.22 5.03 -0.95 -4.78 115.26 106.92 3gen n ASN 451 Ca 0.01 -0.18 -0.41 0.00 0.87 0.00 0.00 54.58 54.88 3gen n ASN 451 Cb 0.07 -0.11 -0.04 0.00 -1.02 0.00 0.00 39.78 38.68 3gen n ASN 451 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3gen s LEU 452 N -2.77 4.48 -0.21 3.41 1.43 -0.98 -5.03 118.68 119.01 3gen s LEU 452 Ca 0.20 1.90 -0.05 0.00 -1.03 0.00 0.00 54.13 55.14 3gen s LEU 452 Cb 0.19 -3.59 0.10 0.00 0.03 0.00 0.00 46.19 42.92 3gen s LEU 452 CO 0.55 -0.15 0.40 -0.94 0.23 0.00 0.00 176.35 176.44 3gen s SER 453 N 0.07 -0.09 -0.15 2.29 1.04 -1.26 -4.86 113.70 110.74 3gen s SER 453 Ca 0.49 0.73 -0.22 0.00 0.48 0.00 0.00 55.95 57.42 3gen s SER 453 Cb -0.26 1.26 0.06 0.00 0.10 0.00 0.00 66.02 67.18 3gen s SER 453 CO 0.31 -0.25 0.58 -2.28 0.98 0.00 0.00 173.24 172.58 3gen s HIS 454 N 2.59 -0.59 0.56 5.02 5.04 -1.26 -5.05 115.29 121.60 3gen s HIS 454 Ca 0.03 1.31 0.40 0.00 -1.54 0.00 0.00 55.06 55.26 3gen s HIS 454 Cb -0.13 0.25 2.15 0.00 0.04 0.00 0.00 32.58 34.89 3gen s HIS 454 CO -0.14 -0.40 2.29 1.05 -2.34 0.00 0.00 174.74 175.20 3gen h GLU 455 N 4.48 0.00 -0.51 2.88 4.11 -2.01 -1.73 114.58 121.81 3gen h GLU 455 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 3gen h GLU 455 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3gen h GLU 455 CO 0.23 0.01 0.00 1.63 0.07 0.00 0.00 179.01 180.95 3gen n LYS 456 N -3.22 2.68 -4.39 1.06 4.76 -1.26 -4.88 118.16 112.91 3gen n LYS 456 Ca -0.02 -2.30 -0.34 0.00 -2.87 0.00 0.00 58.31 52.77 3gen n LYS 456 Cb 0.12 -1.42 -0.11 0.00 -1.84 0.00 0.00 35.03 31.77 3gen n LYS 456 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3gen s LEU 457 N -1.04 3.33 0.11 -0.35 1.43 -0.65 -1.24 118.68 120.27 3gen s LEU 457 Ca 0.35 -0.07 -0.32 0.00 -1.03 0.00 0.00 54.13 53.07 3gen s LEU 457 Cb 0.19 -1.79 -0.11 0.00 0.03 0.00 0.00 46.19 44.50 3gen s LEU 457 CO 0.25 0.22 1.79 0.52 0.23 0.00 0.00 176.35 179.36 3gen n VAL 458 N 3.22 0.30 -2.85 -1.59 0.31 -0.39 -4.67 118.33 112.65 3gen n VAL 458 Ca -0.18 -0.05 -0.41 0.00 -0.01 0.00 0.00 64.34 63.69 3gen n VAL 458 Cb 0.53 -1.99 -0.04 0.00 -0.91 0.00 0.00 33.84 31.42 3gen n VAL 458 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3gen s GLN 459 N 2.45 4.42 -0.43 5.55 0.74 -1.26 -4.95 119.66 126.18 3gen s GLN 459 Ca 0.82 1.15 -0.22 0.00 0.05 0.00 0.00 55.36 57.15 3gen s GLN 459 Cb -0.54 -3.51 0.02 0.00 1.10 0.00 0.00 33.01 30.09 3gen s GLN 459 CO 0.38 -0.15 0.74 -1.17 -0.55 0.00 0.00 175.29 174.55 3gen s LEU 460 N 1.48 4.29 0.13 3.68 2.96 -1.26 -1.58 118.68 128.37 3gen s LEU 460 Ca 0.43 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 3gen s LEU 460 Cb -0.18 -2.91 -0.13 0.00 0.50 0.00 0.00 46.19 43.47 3gen s LEU 460 CO 0.19 -0.84 1.30 1.88 -1.32 0.00 0.00 176.35 177.56 3gen h TYR 461 N 8.86 0.16 0.00 5.38 0.99 -0.72 -3.45 116.97 128.19 3gen h TYR 461 Ca -0.25 -0.11 0.00 0.00 2.00 0.00 0.00 58.73 60.37 3gen h TYR 461 Cb 1.09 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.81 3gen h TYR 461 CO 0.78 1.02 0.00 0.41 -0.00 0.00 0.00 178.16 180.37 3gen n GLY 462 N 1.18 -2.61 3.27 3.88 0.00 -1.15 -4.90 105.19 104.87 3gen n GLY 462 Ca -0.03 -1.30 -0.16 0.00 0.00 0.00 0.00 46.02 44.53 3gen n GLY 462 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gen s VAL 463 N -2.19 1.35 -0.20 1.61 -7.23 0.28 -0.85 120.40 113.17 3gen s VAL 463 Ca 0.00 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.17 3gen s VAL 463 Cb 0.00 -1.81 0.04 0.00 0.56 0.00 0.00 36.38 35.17 3gen s VAL 463 CO 0.00 -0.62 -0.11 0.00 -0.31 0.00 0.00 175.10 174.06 3gen n THR 465 N 4.66 0.00 0.23 0.00 5.66 -1.26 -0.70 114.28 122.87 3gen n THR 465 Ca -0.15 -0.16 0.12 0.00 -3.05 0.00 0.00 64.05 60.81 3gen n THR 465 Cb 0.46 1.62 0.44 0.00 -1.55 0.00 0.00 70.33 71.29 3gen n THR 465 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 3gen h LYS 466 N 0.00 0.00 -5.69 1.09 1.57 -1.96 -3.44 116.57 108.14 3gen h LYS 466 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 3gen h LYS 466 Cb 0.31 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.48 3gen h LYS 466 CO 0.00 0.15 -0.64 -0.65 -0.57 0.00 0.00 179.45 177.74 3gen s GLN 467 N -3.52 1.81 0.01 3.15 -0.21 -1.26 -5.16 119.66 114.48 3gen s GLN 467 Ca 0.02 -1.98 0.07 0.00 0.02 0.00 0.00 55.36 53.49 3gen s GLN 467 Cb 0.09 -1.50 -0.02 0.00 1.00 0.00 0.00 33.01 32.57 3gen s GLN 467 CO 0.63 0.02 -0.20 1.03 -2.12 0.00 0.00 175.29 174.64 3gen s ARG 468 N -3.70 1.51 0.46 2.91 0.52 -1.26 -3.82 118.95 115.58 3gen s ARG 468 Ca 0.33 -0.81 -0.23 0.00 -0.52 0.00 0.00 55.73 54.50 3gen s ARG 468 Cb 0.06 -1.53 -0.07 0.00 0.52 0.00 0.00 34.95 33.93 3gen s ARG 468 CO 0.16 0.41 1.23 -1.25 0.02 0.00 0.00 175.30 175.87 3gen s PRO 469 N -0.77 3.68 0.48 3.54 0.04 -1.26 -5.10 135.00 135.60 3gen s PRO 469 Ca 0.07 1.95 -0.22 0.00 0.04 0.00 0.00 61.00 62.85 3gen s PRO 469 Cb -0.08 -2.46 -0.07 0.00 0.04 0.00 0.00 34.50 31.93 3gen s PRO 469 CO 0.00 -0.66 1.11 0.96 0.04 0.00 0.00 177.00 178.45 3gen s ILE 470 N -1.43 3.38 -0.04 0.56 -4.36 -1.23 -4.75 121.20 113.33 3gen s ILE 470 Ca 0.64 0.95 0.02 0.00 -0.26 0.00 0.00 60.65 61.99 3gen s ILE 470 Cb -0.33 -3.44 -0.03 0.00 1.25 0.00 0.00 42.46 39.91 3gen s ILE 470 CO 0.40 -0.10 -0.05 -0.36 0.24 0.00 0.00 174.94 175.07 3gen s PHE 471 N -1.72 2.95 -0.23 1.37 0.08 0.12 -0.37 117.98 120.18 3gen s PHE 471 Ca 0.66 0.02 -0.04 0.00 0.12 0.00 0.00 56.93 57.69 3gen s PHE 471 Cb -0.23 -1.68 -0.01 0.00 -0.57 0.00 0.00 43.02 40.53 3gen s PHE 471 CO 0.28 0.37 -0.02 0.42 -0.10 0.00 0.00 175.22 176.17 3gen s ILE 472 N -0.92 3.50 -0.25 0.64 1.01 0.13 -0.95 121.20 124.37 3gen s ILE 472 Ca 0.15 -0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 3gen s ILE 472 Cb -0.11 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 3gen s ILE 472 CO 0.05 0.39 0.12 -0.63 0.00 0.00 0.00 174.94 174.86 3gen s ILE 473 N 1.49 4.83 0.20 2.92 -1.09 -0.03 -0.80 121.20 128.72 3gen s ILE 473 Ca 0.05 0.00 0.01 0.00 -2.23 0.00 0.00 60.65 58.49 3gen s ILE 473 Cb -0.15 -3.26 -0.05 0.00 -1.58 0.00 0.00 42.46 37.42 3gen s ILE 473 CO -0.02 0.33 0.04 0.42 -1.23 0.00 0.00 174.94 174.48 3gen s THR 474 N 1.42 0.58 0.16 2.92 -4.23 -0.26 0.06 115.64 116.28 3gen s THR 474 Ca 0.06 -1.98 -0.32 0.00 -1.18 0.00 0.00 61.69 58.27 3gen s THR 474 Cb -0.15 -2.30 -0.17 0.00 1.34 0.00 0.00 72.50 71.21 3gen s THR 474 CO 0.06 -0.30 0.81 1.21 -0.54 0.00 0.00 174.62 175.86 3gen n GLU 475 N -0.31 0.33 -3.15 3.99 2.13 -0.62 -0.50 120.64 122.52 3gen n GLU 475 Ca -0.04 0.12 -0.39 0.00 0.66 0.00 0.00 57.16 57.50 3gen n GLU 475 Cb 0.64 -1.36 -0.05 0.00 0.27 0.00 0.00 31.44 30.94 3gen n GLU 475 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3gen s TYR 476 N -0.63 3.48 -0.51 4.31 5.04 -1.26 -4.24 117.35 123.54 3gen s TYR 476 Ca 0.71 1.03 -0.01 0.00 -2.44 0.00 0.00 57.07 56.36 3gen s TYR 476 Cb -0.97 -2.73 0.13 0.00 0.35 0.00 0.00 41.96 38.74 3gen s TYR 476 CO 0.56 0.01 0.29 -1.64 -1.34 0.00 0.00 175.55 173.43 3gen s MET 477 N 1.18 2.18 0.48 4.97 -1.94 -1.26 -4.88 119.30 120.02 3gen s MET 477 Ca 0.31 -2.24 0.17 0.00 -1.71 0.00 0.00 55.69 52.21 3gen s MET 477 Cb -0.16 -3.57 1.16 0.00 2.01 0.00 0.00 34.83 34.27 3gen s MET 477 CO 0.13 -1.11 2.03 0.00 -0.01 0.00 0.00 175.02 176.06 3gen h ALA 478 N 7.35 2.11 -0.35 3.03 0.00 -1.82 -0.89 119.26 128.69 3gen h ALA 478 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3gen h ALA 478 Cb 0.98 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3gen h ALA 478 CO 0.69 -0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.82 3gen n ASN 479 N -4.46 2.46 0.00 0.00 5.03 0.22 -4.93 115.26 113.58 3gen n ASN 479 Ca 0.06 -1.89 0.00 0.00 0.87 0.00 0.00 54.58 53.62 3gen n ASN 479 Cb 0.34 -0.23 0.00 0.00 -1.02 0.00 0.00 39.78 38.87 3gen n ASN 479 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3gen n GLY 480 N 1.28 -0.01 3.76 7.41 0.00 -0.34 -4.63 105.19 112.66 3gen n GLY 480 Ca 0.17 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 3gen n GLY 480 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gen h LEU 482 N 3.62 1.05 -0.16 0.00 5.85 -0.77 -2.32 115.31 122.59 3gen h LEU 482 Ca -0.47 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.27 3gen h LEU 482 Cb 1.21 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3gen h LEU 482 CO 0.66 0.67 0.07 0.25 -0.34 0.00 0.00 178.44 179.76 3gen h LEU 483 N 1.19 0.10 -0.72 2.25 5.85 -1.78 1.00 115.31 123.20 3gen h LEU 483 Ca 0.43 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.14 3gen h LEU 483 Cb 0.15 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3gen h LEU 483 CO -0.17 0.08 0.38 0.78 -0.34 0.00 0.00 178.44 179.18 3gen h ASN 484 N 0.16 0.92 -0.43 1.25 2.35 -1.85 -2.61 115.58 115.37 3gen h ASN 484 Ca 0.06 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3gen h ASN 484 Cb 0.02 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3gen h ASN 484 CO -0.05 0.77 0.27 0.22 -1.65 0.00 0.00 177.43 176.99 3gen h TYR 485 N 1.00 0.56 -0.71 1.19 3.20 -0.86 -2.27 116.97 119.08 3gen h TYR 485 Ca 0.25 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.17 3gen h TYR 485 Cb 0.07 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 3gen h TYR 485 CO 0.00 0.38 0.47 -0.07 -1.64 0.00 0.00 178.16 177.30 3gen h LEU 486 N 0.58 0.71 0.00 2.82 4.07 -0.66 -2.59 115.31 120.25 3gen h LEU 486 Ca 0.16 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.11 3gen h LEU 486 Cb -0.03 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.55 3gen h LEU 486 CO -0.03 0.48 -0.05 0.54 -1.08 0.00 0.00 178.44 178.30 3gen n ARG 487 N -4.46 0.00 -2.47 1.13 1.74 -0.88 -4.56 116.66 107.16 3gen n ARG 487 Ca 0.09 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.78 3gen n ARG 487 Cb 0.16 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.06 3gen n ARG 487 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3gen s GLU 488 N -3.00 3.18 0.58 5.56 2.02 -0.98 -4.87 118.70 121.19 3gen s GLU 488 Ca 0.14 -0.32 0.35 0.00 0.02 0.00 0.00 54.97 55.15 3gen s GLU 488 Cb 0.19 -4.49 1.72 0.00 0.10 0.00 0.00 34.13 31.65 3gen s GLU 488 CO 0.55 -2.28 2.14 0.52 0.02 0.00 0.00 175.26 176.20 3gen h MET 489 N 10.64 0.00 -0.44 1.61 2.86 -1.87 -2.83 114.93 124.90 3gen h MET 489 Ca -0.16 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.60 3gen h MET 489 Cb 1.05 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 3gen h MET 489 CO 1.30 0.05 0.32 0.07 1.06 0.00 0.00 176.91 179.70 3gen h ARG 490 N 0.00 0.00 0.00 1.72 0.11 -1.96 -1.90 114.38 112.35 3gen h ARG 490 Ca -0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 3gen h ARG 490 Cb 0.29 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.37 3gen h ARG 490 CO 0.01 0.00 -0.07 0.45 0.10 0.00 0.00 179.97 180.46 3gen h HIS 491 N 0.00 0.00 -6.38 4.08 3.86 -1.87 -3.46 115.15 111.38 3gen h HIS 491 Ca 0.21 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.95 3gen h HIS 491 Cb 0.84 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.32 3gen h HIS 491 CO 0.00 0.07 -0.92 0.54 0.86 0.00 0.00 177.93 178.48 3gen n ARG 492 N -3.98 -2.24 -1.79 2.45 1.74 -0.72 -4.81 116.66 107.31 3gen n ARG 492 Ca -0.03 0.42 -0.41 0.00 -0.77 0.00 0.00 57.85 57.06 3gen n ARG 492 Cb 0.15 -4.25 0.00 0.00 -1.02 0.00 0.00 32.46 27.35 3gen n ARG 492 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3gen s PHE 493 N -3.70 2.54 0.49 -1.55 0.08 -1.26 -5.02 117.98 109.56 3gen s PHE 493 Ca 0.25 1.17 -0.11 0.00 0.12 0.00 0.00 56.93 58.36 3gen s PHE 493 Cb -0.09 -4.02 -0.06 0.00 -0.57 0.00 0.00 43.02 38.28 3gen s PHE 493 CO 0.88 -3.04 0.87 -0.65 -0.10 0.00 0.00 175.22 173.18 3gen s GLN 494 N -2.18 3.74 0.42 0.44 -0.21 -1.26 -4.99 119.66 115.63 3gen s GLN 494 Ca 0.54 0.59 0.17 0.00 0.02 0.00 0.00 55.36 56.68 3gen s GLN 494 Cb -0.46 -2.27 0.94 0.00 1.00 0.00 0.00 33.01 32.22 3gen s GLN 494 CO 0.62 -0.23 1.91 1.79 -2.12 0.00 0.00 175.29 177.27 3gen h THR 495 N 0.61 1.05 -0.95 -0.19 1.35 -1.95 -1.71 112.91 111.12 3gen h THR 495 Ca -0.46 -0.97 0.08 0.00 -0.55 0.00 0.00 66.41 64.50 3gen h THR 495 Cb 1.19 1.55 -0.07 0.00 -1.73 0.00 0.00 68.15 69.09 3gen h THR 495 CO 0.62 0.27 0.61 1.56 -0.25 0.00 0.00 175.52 178.33 3gen h GLN 496 N 0.00 1.00 -0.45 4.72 4.20 -1.98 -0.25 115.11 122.35 3gen h GLN 496 Ca -0.00 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 3gen h GLN 496 Cb 0.53 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3gen h GLN 496 CO 0.04 0.66 -0.09 1.96 -0.67 0.00 0.00 178.83 180.73 3gen h GLN 497 N 1.03 0.86 -0.58 1.46 4.20 -1.71 -1.91 115.11 118.46 3gen h GLN 497 Ca 0.43 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 3gen h GLN 497 Cb 0.29 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3gen h GLN 497 CO -0.18 0.96 0.24 -0.07 -0.67 0.00 0.00 178.83 179.11 3gen h LEU 498 N 0.69 0.80 -0.83 1.46 3.38 -1.14 -1.78 115.31 117.89 3gen h LEU 498 Ca 0.12 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3gen h LEU 498 Cb 0.63 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3gen h LEU 498 CO 0.04 0.74 0.22 0.25 0.09 0.00 0.00 178.44 179.78 3gen h LEU 499 N 0.80 1.01 -1.01 1.67 5.85 -0.97 -1.87 115.31 120.80 3gen h LEU 499 Ca 0.20 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3gen h LEU 499 Cb 0.18 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3gen h LEU 499 CO -0.02 0.95 0.54 -0.08 -0.34 0.00 0.00 178.44 179.49 3gen h GLU 500 N 1.04 1.22 -0.54 1.25 4.57 -1.08 0.13 114.58 121.18 3gen h GLU 500 Ca 0.23 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 3gen h GLU 500 Cb 0.30 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 3gen h GLU 500 CO -0.01 0.85 0.35 0.52 -1.18 0.00 0.00 179.01 179.55 3gen h MET 501 N 1.24 0.71 -0.68 1.92 2.86 -0.77 0.90 114.93 121.11 3gen h MET 501 Ca 0.32 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.97 3gen h MET 501 Cb -0.05 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.40 3gen h MET 501 CO -0.06 0.48 0.39 0.00 1.06 0.00 0.00 176.91 178.78 3gen h LYS 503 N 0.73 0.93 -0.21 0.00 3.64 -0.40 -0.11 116.57 121.15 3gen h LYS 503 Ca 0.29 -0.30 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3gen h LYS 503 Cb 0.15 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 3gen h LYS 503 CO -0.16 0.96 -0.14 -0.44 -2.27 0.00 0.00 179.45 177.39 3gen h ASP 504 N 0.80 -0.45 -0.56 4.20 3.45 -0.60 0.53 116.42 123.80 3gen h ASP 504 Ca 0.15 0.10 -0.10 0.00 0.43 0.00 0.00 57.03 57.60 3gen h ASP 504 Cb 0.54 0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 39.52 3gen h ASP 504 CO 0.03 -0.18 -0.04 0.58 -1.57 0.00 0.00 179.24 178.06 3gen h VAL 505 N -0.13 1.27 -0.57 -1.35 2.07 -1.17 -2.67 116.25 113.70 3gen h VAL 505 Ca 0.12 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.38 3gen h VAL 505 Cb 0.31 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3gen h VAL 505 CO -0.29 0.42 0.07 0.00 0.02 0.00 0.00 177.57 177.79 3gen h GLU 507 N 0.87 0.64 -0.79 0.00 5.08 -0.76 0.14 114.58 119.75 3gen h GLU 507 Ca 0.18 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3gen h GLU 507 Cb 0.42 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 3gen h GLU 507 CO 0.01 0.44 0.43 0.00 -1.00 0.00 0.00 179.01 178.89 3gen h ALA 508 N 1.16 1.01 -0.16 3.43 0.00 -1.09 -1.79 119.26 121.83 3gen h ALA 508 Ca 0.17 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 3gen h ALA 508 Cb -0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 3gen h ALA 508 CO -0.04 0.53 -0.62 0.52 0.00 0.00 0.00 179.25 179.64 3gen h MET 509 N 1.10 0.56 -0.80 0.00 2.86 -0.87 0.04 114.93 117.82 3gen h MET 509 Ca 0.28 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3gen h MET 509 Cb 0.04 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 3gen h MET 509 CO -0.04 1.01 0.50 1.49 1.06 0.00 0.00 176.91 180.93 3gen h GLU 510 N 0.41 1.07 0.15 1.72 4.81 -0.56 0.16 114.58 122.36 3gen h GLU 510 Ca -0.01 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3gen h GLU 510 Cb 1.19 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.33 3gen h GLU 510 CO 0.12 0.74 -0.07 -0.92 -0.73 0.00 0.00 179.01 178.14 3gen h TYR 511 N 1.09 -0.19 -0.83 0.92 3.20 -1.04 -0.74 116.97 119.38 3gen h TYR 511 Ca 0.29 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.23 3gen h TYR 511 Cb -0.08 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.19 3gen h TYR 511 CO -0.01 -0.04 0.50 -0.07 -1.64 0.00 0.00 178.16 176.90 3gen h LEU 512 N -0.30 0.76 -1.04 2.82 3.38 -0.71 -1.47 115.31 118.74 3gen h LEU 512 Ca -0.02 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3gen h LEU 512 Cb 0.24 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3gen h LEU 512 CO 0.03 0.47 0.64 -0.08 0.09 0.00 0.00 178.44 179.60 3gen h GLU 513 N 0.88 1.28 0.00 1.13 4.81 -0.48 -0.49 114.58 121.72 3gen h GLU 513 Ca 0.37 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 3gen h GLU 513 Cb 0.23 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 3gen h GLU 513 CO -0.20 0.85 -0.11 0.66 -0.73 0.00 0.00 179.01 179.49 3gen h SER 514 N 1.32 0.00 -0.33 1.04 4.64 -0.09 -0.78 113.55 119.35 3gen h SER 514 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3gen h SER 514 Cb -0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 3gen h SER 514 CO -0.08 0.11 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 3gen n LYS 515 N -3.53 2.35 -3.35 4.77 4.76 -0.65 -4.96 118.16 117.55 3gen n LYS 515 Ca -0.02 -2.04 -0.24 0.00 -2.87 0.00 0.00 58.31 53.14 3gen n LYS 515 Cb 0.24 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 31.97 3gen n LYS 515 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3gen n GLN 516 N 1.26 -5.15 -3.77 1.97 3.00 -0.30 -4.97 117.38 109.41 3gen n GLN 516 Ca 0.19 0.74 -0.37 0.00 -0.01 0.00 0.00 57.00 57.54 3gen n GLN 516 Cb 0.55 -5.61 -0.13 0.00 0.00 0.00 0.00 30.24 25.06 3gen n GLN 516 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 3gen s PHE 517 N -3.16 3.15 0.23 1.08 5.36 -0.28 -5.02 117.98 119.34 3gen s PHE 517 Ca 0.44 -1.06 -0.26 0.00 -0.96 0.00 0.00 56.93 55.08 3gen s PHE 517 Cb -0.21 -2.24 -0.09 0.00 -0.34 0.00 0.00 43.02 40.14 3gen s PHE 517 CO 0.54 -0.60 0.85 -0.51 -1.46 0.00 0.00 175.22 174.04 3gen s LEU 518 N 1.48 4.53 -0.07 6.12 1.43 -1.26 -4.24 118.68 126.66 3gen s LEU 518 Ca 0.02 1.75 -0.27 0.00 -1.03 0.00 0.00 54.13 54.60 3gen s LEU 518 Cb -0.17 -3.57 -0.23 0.00 0.03 0.00 0.00 46.19 42.25 3gen s LEU 518 CO 0.02 0.12 1.07 -0.74 0.23 0.00 0.00 176.35 177.05 3gen h HIS 519 N 3.93 0.01 0.00 0.29 -0.00 -1.96 -3.33 115.15 114.09 3gen h HIS 519 Ca -0.46 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 3gen h HIS 519 Cb 1.20 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.61 3gen h HIS 519 CO 0.63 0.70 0.00 0.54 -0.00 0.00 0.00 177.93 179.80 3gen n ARG 520 N -4.75 0.00 -2.74 5.26 1.74 -1.26 -0.97 116.66 113.95 3gen n ARG 520 Ca -0.09 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.90 3gen n ARG 520 Cb 0.35 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.35 3gen n ARG 520 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3gen n ASP 521 N 0.00 -0.18 -4.72 0.55 2.03 -1.26 -5.02 116.55 107.96 3gen n ASP 521 Ca 0.00 -2.74 -0.42 0.00 0.52 0.00 0.00 54.79 52.15 3gen n ASP 521 Cb 0.00 0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.61 3gen n ASP 521 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3gen s LEU 522 N -3.00 4.37 -0.10 -2.67 2.96 -1.26 -4.83 118.68 114.16 3gen s LEU 522 Ca 0.26 2.20 -0.32 0.00 -0.22 0.00 0.00 54.13 56.05 3gen s LEU 522 Cb 0.41 -3.58 0.12 0.00 0.50 0.00 0.00 46.19 43.64 3gen s LEU 522 CO -0.03 -0.57 1.06 0.00 -1.32 0.00 0.00 176.35 175.49 3gen s ALA 523 N 1.03 -1.96 0.46 5.97 0.00 -1.26 -4.75 121.76 121.26 3gen s ALA 523 Ca 0.62 1.33 0.15 0.00 0.00 0.00 0.00 51.96 54.06 3gen s ALA 523 Cb -0.34 0.12 1.10 0.00 0.00 0.00 0.00 23.12 24.01 3gen s ALA 523 CO 0.30 -0.63 2.03 0.00 0.00 0.00 0.00 175.76 177.46 3gen h ALA 524 N 2.00 2.03 0.00 0.00 0.00 -1.94 -0.20 119.26 121.16 3gen h ALA 524 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3gen h ALA 524 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3gen h ALA 524 CO 0.27 -0.12 0.00 0.07 0.00 0.00 0.00 179.25 179.46 3gen h ARG 525 N 0.29 0.00 -0.43 0.00 0.11 -1.96 -2.38 114.38 110.02 3gen h ARG 525 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 3gen h ARG 525 Cb 0.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.48 3gen h ARG 525 CO -0.04 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.12 3gen n ASN 526 N -2.93 4.27 -4.50 0.08 3.02 -0.09 -4.80 115.26 110.31 3gen n ASN 526 Ca -0.00 -2.68 -0.27 0.00 -0.03 0.00 0.00 54.58 51.59 3gen n ASN 526 Cb 0.23 -0.52 -0.11 0.00 -0.61 0.00 0.00 39.78 38.77 3gen n ASN 526 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gen s LEU 528 N -2.59 2.56 -0.08 0.00 1.43 -0.30 -0.38 118.68 119.31 3gen s LEU 528 Ca 0.22 -1.02 0.02 0.00 -1.03 0.00 0.00 54.13 52.32 3gen s LEU 528 Cb -0.09 -0.80 0.01 0.00 0.03 0.00 0.00 46.19 45.35 3gen s LEU 528 CO 0.12 -0.11 -0.15 -0.69 0.23 0.00 0.00 176.35 175.75 3gen s VAL 529 N -2.81 1.39 0.69 -1.59 1.01 0.69 -0.66 120.40 119.12 3gen s VAL 529 Ca 0.24 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 3gen s VAL 529 Cb -0.02 -1.26 0.15 0.00 0.00 0.00 0.00 36.38 35.25 3gen s VAL 529 CO 0.09 0.41 0.94 -0.46 0.00 0.00 0.00 175.10 176.08 3gen n ASN 530 N 3.87 0.70 0.17 3.32 0.23 -0.43 -0.61 115.26 122.51 3gen n ASN 530 Ca -0.21 -1.72 0.13 0.00 -0.53 0.00 0.00 54.58 52.24 3gen n ASN 530 Cb 0.52 -0.66 0.61 0.00 -2.08 0.00 0.00 39.78 38.17 3gen n ASN 530 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 3gen h ASP 531 N -0.88 0.00 -0.03 0.53 2.03 -1.90 -1.57 116.42 114.61 3gen h ASP 531 Ca -0.31 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.99 3gen h ASP 531 Cb 1.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 3gen h ASP 531 CO 0.28 0.00 -0.02 0.00 -1.03 0.00 0.00 179.24 178.47 3gen n GLN 532 N -2.37 2.23 -0.77 4.15 1.13 -1.26 -4.95 117.38 115.54 3gen n GLN 532 Ca -0.00 -1.81 0.00 0.00 -1.94 0.00 0.00 57.00 53.25 3gen n GLN 532 Cb 0.13 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.01 3gen n GLN 532 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gen n GLY 533 N 1.34 0.67 3.72 1.08 0.00 -0.59 -5.03 105.19 106.38 3gen n GLY 533 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3gen n GLY 533 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gen s VAL 534 N -2.32 3.98 -0.05 1.61 1.01 -1.26 -4.80 120.40 118.57 3gen s VAL 534 Ca 0.00 1.53 -0.17 0.00 0.00 0.00 0.00 61.98 63.34 3gen s VAL 534 Cb 0.00 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 3gen s VAL 534 CO 0.00 0.18 0.45 -0.69 0.00 0.00 0.00 175.10 175.05 3gen s VAL 535 N 0.49 5.07 0.09 2.92 1.01 -1.26 -1.31 120.40 127.40 3gen s VAL 535 Ca 0.54 0.93 0.07 0.00 0.00 0.00 0.00 61.98 63.52 3gen s VAL 535 Cb -0.29 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3gen s VAL 535 CO 0.32 0.46 -0.18 -0.54 0.00 0.00 0.00 175.10 175.16 3gen s LYS 536 N -0.30 0.98 0.14 2.72 1.02 0.16 -4.51 119.74 119.95 3gen s LYS 536 Ca 0.25 -1.05 -0.27 0.00 0.02 0.00 0.00 55.97 54.92 3gen s LYS 536 Cb -0.16 -1.12 -0.07 0.00 -0.52 0.00 0.00 37.83 35.96 3gen s LYS 536 CO 0.12 0.26 0.85 0.08 -0.92 0.00 0.00 175.35 175.74 3gen s VAL 537 N -1.20 4.42 0.25 3.17 1.01 -0.37 -1.16 120.40 126.52 3gen s VAL 537 Ca 0.02 1.85 0.01 0.00 0.00 0.00 0.00 61.98 63.86 3gen s VAL 537 Cb -0.10 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 3gen s VAL 537 CO 0.03 0.44 0.09 -0.55 0.00 0.00 0.00 175.10 175.11 3gen s SER 538 N -0.64 1.15 -1.63 3.32 0.15 -0.79 -1.27 113.70 113.99 3gen s SER 538 Ca 0.40 -1.37 0.00 0.00 0.70 0.00 0.00 55.95 55.68 3gen s SER 538 Cb -0.23 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 3gen s SER 538 CO 0.27 -0.72 0.00 0.47 1.20 0.00 0.00 173.24 174.46 3gen n ASP 539 N -0.44 -4.79 -4.68 5.45 8.00 -1.26 -4.77 116.55 114.07 3gen n ASP 539 Ca -0.00 0.24 -0.42 0.00 0.71 0.00 0.00 54.79 55.31 3gen n ASP 539 Cb 0.66 -4.15 -0.03 0.00 -0.02 0.00 0.00 41.12 37.58 3gen n ASP 539 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3gen s PHE 540 N -2.67 2.13 0.00 1.24 -0.71 -1.26 -2.03 117.98 114.68 3gen s PHE 540 Ca 0.00 0.17 0.00 0.00 -1.04 0.00 0.00 56.93 56.06 3gen s PHE 540 Cb 0.00 -3.99 0.00 0.00 -1.21 0.00 0.00 43.02 37.82 3gen s PHE 540 CO 0.00 -4.11 0.00 0.41 -1.34 0.00 0.00 175.22 170.18 3gen n GLY 541 N 4.11 2.00 0.25 1.99 0.00 -0.14 -4.90 105.19 108.50 3gen n GLY 541 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 3gen n GLY 541 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gen h LEU 542 N 0.00 0.00 -2.42 0.99 5.85 -1.63 -2.60 115.31 115.50 3gen h LEU 542 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3gen h LEU 542 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3gen h LEU 542 CO 0.00 0.16 0.10 0.77 -0.34 0.00 0.00 178.44 179.13 3gen h SER 543 N 0.00 0.00 0.07 1.25 4.64 -1.86 -1.93 113.55 115.72 3gen h SER 543 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gen h SER 543 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3gen h SER 543 CO 0.02 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.01 3gen h ARG 544 N 0.00 0.00 -0.11 4.77 3.08 -1.84 -2.99 114.38 117.28 3gen h ARG 544 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3gen h ARG 544 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3gen h ARG 544 CO -0.00 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.56 3gen n TYR 545 N -3.08 0.15 -2.79 3.04 4.01 -0.73 -4.98 117.16 112.79 3gen n TYR 545 Ca -0.03 -0.38 -0.42 0.00 -0.16 0.00 0.00 57.90 56.91 3gen n TYR 545 Cb 0.09 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 3gen n TYR 545 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3gen s VAL 546 N -0.86 4.86 -0.47 -0.72 1.01 -1.13 -0.45 120.40 122.64 3gen s VAL 546 Ca 0.09 1.87 0.24 0.00 0.00 0.00 0.00 61.98 64.17 3gen s VAL 546 Cb 0.05 -4.24 0.13 0.00 0.00 0.00 0.00 36.38 32.32 3gen s VAL 546 CO 0.07 0.07 1.35 -0.07 0.00 0.00 0.00 175.10 176.52 3gen h LEU 547 N 7.69 0.00 -8.77 3.92 3.38 -1.51 -3.45 115.31 116.57 3gen h LEU 547 Ca -0.34 -0.07 -0.56 0.00 0.09 0.00 0.00 57.88 57.00 3gen h LEU 547 Cb 1.16 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 3gen h LEU 547 CO 0.82 0.03 1.20 -0.62 0.09 0.00 0.00 178.44 179.96 3gen s ASP 548 N -5.10 6.00 0.57 -0.43 -1.08 -1.26 -4.88 116.67 110.48 3gen s ASP 548 Ca 0.05 0.93 0.28 0.00 -0.52 0.00 0.00 52.55 53.29 3gen s ASP 548 Cb 0.10 -2.53 1.71 0.00 -1.46 0.00 0.00 42.92 40.73 3gen s ASP 548 CO 0.72 -1.69 2.21 0.44 0.52 0.00 0.00 175.17 177.37 3gen h ASP 549 N 12.19 0.00 0.00 -0.34 5.19 -2.00 -1.73 116.42 129.73 3gen h ASP 549 Ca -0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 3gen h ASP 549 Cb 1.14 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.65 3gen h ASP 549 CO 1.09 0.02 0.03 -0.33 -3.12 0.00 0.00 179.24 176.93 3gen h GLU 550 N 0.00 0.00 0.00 3.56 4.39 -1.92 -1.60 114.58 119.00 3gen h GLU 550 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3gen h GLU 550 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3gen h GLU 550 CO 0.00 0.00 -1.06 0.98 -1.16 0.00 0.00 179.01 177.77 3gen n TYR 551 N -2.93 0.00 -0.00 4.33 9.36 -0.66 0.55 117.16 127.81 3gen n TYR 551 Ca -0.03 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.02 3gen n TYR 551 Cb 0.09 -0.14 -0.09 0.00 -0.63 0.00 0.00 39.34 38.57 3gen n TYR 551 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 3gen h THR 552 N 0.00 1.34 -2.82 2.97 2.02 -1.23 -3.41 112.91 111.78 3gen h THR 552 Ca 0.00 -2.01 -0.46 0.00 0.77 0.00 0.00 66.41 64.71 3gen h THR 552 Cb 0.44 2.28 -0.14 0.00 -1.74 0.00 0.00 68.15 68.99 3gen h THR 552 CO 0.00 0.61 -0.70 -0.55 0.37 0.00 0.00 175.52 175.25 3gen s SER 553 N -6.93 2.57 0.41 4.18 0.15 -1.23 -5.05 113.70 107.80 3gen s SER 553 Ca -0.12 -1.11 0.29 0.00 0.70 0.00 0.00 55.95 55.71 3gen s SER 553 Cb 0.06 -0.13 1.38 0.00 -1.71 0.00 0.00 66.02 65.62 3gen s SER 553 CO 0.87 -0.28 1.87 0.77 1.20 0.00 0.00 173.24 177.67 3gen h SER 554 N 2.43 0.00 0.83 5.45 4.64 -1.91 0.83 113.55 125.83 3gen h SER 554 Ca -0.39 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.75 3gen h SER 554 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 3gen h SER 554 CO 0.64 0.00 -0.84 -0.37 -0.87 0.00 0.00 176.83 175.39 3gen h VAL 555 N 0.00 1.60 -3.65 0.95 -1.51 -1.94 -3.47 116.25 108.23 3gen h VAL 555 Ca 0.00 -2.86 -0.56 0.00 -1.23 0.00 0.00 66.70 62.05 3gen h VAL 555 Cb 0.21 2.55 0.17 0.00 -2.13 0.00 0.00 31.29 32.09 3gen h VAL 555 CO 0.00 0.82 0.05 0.61 -1.23 0.00 0.00 177.57 177.82 3gen n GLY 556 N 0.88 -0.53 0.01 5.19 0.00 0.28 -4.92 105.19 106.12 3gen n GLY 556 Ca -0.01 -0.28 0.15 0.00 0.00 0.00 0.00 46.02 45.88 3gen n GLY 556 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gen n SER 557 N -1.23 0.07 -0.08 1.61 3.41 -0.83 -3.42 113.62 113.14 3gen n SER 557 Ca 0.13 -0.07 0.01 0.00 -0.26 0.00 0.00 58.87 58.68 3gen n SER 557 Cb 0.49 -0.29 0.02 0.00 -0.26 0.00 0.00 64.21 64.17 3gen n SER 557 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gen n LYS 558 N -1.30 1.35 -2.32 4.33 4.76 0.19 -5.01 118.16 120.16 3gen n LYS 558 Ca 0.13 -1.15 -0.40 0.00 -2.87 0.00 0.00 58.31 54.02 3gen n LYS 558 Cb 0.27 -1.04 -0.03 0.00 -1.84 0.00 0.00 35.03 32.39 3gen n LYS 558 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3gen s PHE 559 N -0.62 3.28 -1.13 2.13 5.36 -1.06 -4.68 117.98 121.25 3gen s PHE 559 Ca 0.03 1.58 -0.10 0.00 -0.96 0.00 0.00 56.93 57.47 3gen s PHE 559 Cb 0.02 -3.43 -0.07 0.00 -0.34 0.00 0.00 43.02 39.20 3gen s PHE 559 CO 0.02 -1.14 2.31 -0.35 -1.46 0.00 0.00 175.22 174.61 3gen n PRO 560 N 0.75 2.49 -0.30 10.12 -0.04 -1.26 -4.69 135.00 142.07 3gen n PRO 560 Ca 0.01 -1.82 0.07 0.00 -0.04 0.00 0.00 63.50 61.72 3gen n PRO 560 Cb 0.44 -2.69 0.23 0.00 -0.04 0.00 0.00 33.50 31.44 3gen n PRO 560 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3gen h VAL 561 N 3.54 0.72 0.00 0.52 2.07 -1.93 -2.16 116.25 119.01 3gen h VAL 561 Ca 0.59 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.90 3gen h VAL 561 Cb 0.32 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3gen h VAL 561 CO 1.66 0.11 0.00 0.54 0.02 0.00 0.00 177.57 179.90 3gen n ARG 562 N -4.88 0.00 -0.21 1.57 1.74 -1.26 -2.15 116.66 111.48 3gen n ARG 562 Ca 0.17 0.24 0.06 0.00 -0.77 0.00 0.00 57.85 57.55 3gen n ARG 562 Cb 0.44 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.53 3gen n ARG 562 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3gen n TRP 563 N -1.50 0.47 -4.62 -1.55 8.01 -0.82 -4.97 117.44 112.46 3gen n TRP 563 Ca 0.04 -0.64 -0.33 0.00 -1.31 0.00 0.00 57.50 55.25 3gen n TRP 563 Cb 0.18 -0.12 -0.13 0.00 -2.01 0.00 0.00 31.31 29.24 3gen n TRP 563 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 3gen s SER 564 N -1.40 4.45 0.81 -0.99 0.01 -0.91 -3.77 113.70 111.90 3gen s SER 564 Ca 0.25 -0.16 -0.12 0.00 1.31 0.00 0.00 55.95 57.23 3gen s SER 564 Cb 0.17 -1.48 0.07 0.00 0.21 0.00 0.00 66.02 65.00 3gen s SER 564 CO 0.10 0.24 1.10 -2.16 0.41 0.00 0.00 173.24 172.93 3gen s PRO 565 N -0.07 2.01 0.25 12.44 0.04 -1.26 -4.80 135.00 143.61 3gen s PRO 565 Ca -0.00 0.61 -0.03 0.00 0.04 0.00 0.00 61.00 61.62 3gen s PRO 565 Cb -0.13 -1.91 0.49 0.00 0.04 0.00 0.00 34.50 32.98 3gen s PRO 565 CO 0.03 -1.66 1.73 -1.35 0.04 0.00 0.00 177.00 175.79 3gen h PRO 566 N -1.12 0.44 0.00 0.56 0.11 -1.91 -1.52 132.00 128.57 3gen h PRO 566 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3gen h PRO 566 Cb 1.27 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3gen h PRO 566 CO 0.60 0.29 -0.13 1.05 -0.21 0.00 0.00 178.00 179.60 3gen h GLU 567 N 0.46 0.00 0.02 1.05 9.09 -1.90 -0.12 114.58 123.18 3gen h GLU 567 Ca 0.43 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.84 3gen h GLU 567 Cb 0.67 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.77 3gen h GLU 567 CO -0.41 0.13 -0.01 0.28 0.05 0.00 0.00 179.01 179.05 3gen h VAL 568 N 0.00 1.47 -0.88 -1.06 2.07 -1.45 -1.84 116.25 114.57 3gen h VAL 568 Ca -0.00 -1.74 0.04 0.00 0.82 0.00 0.00 66.70 65.83 3gen h VAL 568 Cb 0.47 2.60 -0.05 0.00 -1.52 0.00 0.00 31.29 32.79 3gen h VAL 568 CO 0.02 0.43 0.58 -0.07 0.02 0.00 0.00 177.57 178.54 3gen h LEU 569 N -0.81 0.93 0.17 2.57 4.07 -0.94 0.44 115.31 121.73 3gen h LEU 569 Ca -0.00 -0.01 -0.33 0.00 0.08 0.00 0.00 57.88 57.62 3gen h LEU 569 Cb 0.73 -0.21 0.01 0.00 1.08 0.00 0.00 40.66 42.27 3gen h LEU 569 CO 0.00 0.63 -1.68 0.24 -1.08 0.00 0.00 178.44 176.55 3gen h MET 570 N 1.07 0.35 0.00 1.13 2.86 -1.17 -3.43 114.93 115.75 3gen h MET 570 Ca 0.36 -0.61 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 3gen h MET 570 Cb 0.07 0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.96 3gen h MET 570 CO -0.11 1.29 0.00 0.66 1.06 0.00 0.00 176.91 179.81 3gen n TYR 571 N -3.67 0.00 -3.46 -0.22 4.01 -0.76 -5.02 117.16 108.04 3gen n TYR 571 Ca -0.25 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.25 3gen n TYR 571 Cb 1.03 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 40.12 3gen n TYR 571 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3gen n SER 572 N -0.14 -6.14 -4.44 7.72 7.64 0.14 -4.95 113.62 113.44 3gen n SER 572 Ca 0.00 -0.48 -0.44 0.00 1.01 0.00 0.00 58.87 58.96 3gen n SER 572 Cb 0.09 -4.88 -0.03 0.00 -1.01 0.00 0.00 64.21 58.38 3gen n SER 572 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3gen s LYS 573 N -6.16 3.29 0.17 1.43 2.20 -0.81 -4.93 119.74 114.93 3gen s LYS 573 Ca 0.51 -1.27 -0.14 0.00 -0.36 0.00 0.00 55.97 54.71 3gen s LYS 573 Cb -0.23 -4.50 -0.07 0.00 -1.51 0.00 0.00 37.83 31.52 3gen s LYS 573 CO 0.63 -1.76 0.57 -0.06 -0.36 0.00 0.00 175.35 174.37 3gen s PHE 574 N 3.31 3.57 0.16 4.03 0.40 -1.26 -4.12 117.98 124.07 3gen s PHE 574 Ca 0.25 1.06 -0.24 0.00 -0.60 0.00 0.00 56.93 57.40 3gen s PHE 574 Cb -0.13 -2.38 0.07 0.00 0.51 0.00 0.00 43.02 41.10 3gen s PHE 574 CO 0.02 0.38 1.02 -1.54 0.70 0.00 0.00 175.22 175.80 3gen s SER 575 N -1.84 -0.06 0.41 1.36 1.04 -1.26 -4.97 113.70 108.37 3gen s SER 575 Ca 0.40 -0.55 0.20 0.00 0.48 0.00 0.00 55.95 56.48 3gen s SER 575 Cb -0.14 0.48 1.13 0.00 0.10 0.00 0.00 66.02 67.59 3gen s SER 575 CO 0.20 -0.92 1.77 0.77 0.98 0.00 0.00 173.24 176.03 3gen h SER 576 N 2.00 0.42 1.37 7.02 4.64 -1.99 -0.79 113.55 126.22 3gen h SER 576 Ca -0.27 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3gen h SER 576 Cb 1.22 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3gen h SER 576 CO 0.32 0.07 0.00 0.11 -0.87 0.00 0.00 176.83 176.46 3gen h LYS 577 N 0.36 0.00 0.04 4.77 1.79 -1.93 -1.10 116.57 120.50 3gen h LYS 577 Ca 0.60 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.84 3gen h LYS 577 Cb 1.57 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.21 3gen h LYS 577 CO -0.29 0.00 -1.05 0.66 -1.08 0.00 0.00 179.45 177.69 3gen h SER 578 N 0.00 0.18 -0.75 0.86 4.64 -1.47 -2.23 113.55 114.79 3gen h SER 578 Ca 0.00 -0.18 -0.06 0.00 -0.47 0.00 0.00 61.79 61.08 3gen h SER 578 Cb 0.68 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.68 3gen h SER 578 CO 0.00 1.11 0.24 0.44 -0.87 0.00 0.00 176.83 177.74 3gen h ASP 579 N 0.04 1.09 -0.31 4.97 5.19 -1.29 -1.99 116.42 124.13 3gen h ASP 579 Ca -0.06 -0.21 -0.00 0.00 -0.62 0.00 0.00 57.03 56.14 3gen h ASP 579 Cb 1.77 -0.29 -0.01 0.00 0.18 0.00 0.00 39.33 40.98 3gen h ASP 579 CO 0.15 1.01 0.18 0.40 -3.12 0.00 0.00 179.24 177.86 3gen h ILE 580 N 1.12 1.12 -0.14 0.35 1.08 -1.16 -0.05 117.51 119.82 3gen h ILE 580 Ca 0.24 -0.30 0.03 0.00 -0.39 0.00 0.00 64.86 64.45 3gen h ILE 580 Cb 0.31 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 34.78 3gen h ILE 580 CO -0.01 0.12 -0.08 -0.25 -0.69 0.00 0.00 178.15 177.24 3gen h TRP 581 N 0.39 -0.20 -0.98 1.37 2.91 -1.30 -2.03 115.95 116.11 3gen h TRP 581 Ca 0.11 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.20 3gen h TRP 581 Cb 0.04 0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 28.74 3gen h TRP 581 CO -0.04 -0.13 0.63 0.00 -1.03 0.00 0.00 178.44 177.88 3gen h ALA 582 N 1.03 1.33 -0.86 2.65 0.00 -1.04 -1.31 119.26 121.05 3gen h ALA 582 Ca 0.08 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3gen h ALA 582 Cb 0.20 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3gen h ALA 582 CO -0.19 0.47 0.56 0.35 0.00 0.00 0.00 179.25 180.44 3gen h PHE 583 N 1.19 1.06 -0.66 0.00 3.57 -0.36 0.33 116.94 122.06 3gen h PHE 583 Ca 0.41 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.93 3gen h PHE 583 Cb 0.09 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 3gen h PHE 583 CO -0.01 0.63 0.38 0.78 -2.23 0.00 0.00 178.31 177.86 3gen h GLY 584 N 1.11 0.98 1.03 2.40 0.00 -0.59 0.30 103.07 108.30 3gen h GLY 584 Ca 0.34 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 3gen h GLY 584 CO -0.10 0.41 0.48 -2.08 0.00 0.00 0.00 176.54 175.25 3gen h VAL 585 N 0.91 1.26 -0.60 4.60 2.07 -0.80 -1.41 116.25 122.28 3gen h VAL 585 Ca 0.24 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3gen h VAL 585 Cb 0.00 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.80 3gen h VAL 585 CO -0.04 0.30 0.30 0.25 0.02 0.00 0.00 177.57 178.40 3gen h LEU 586 N 1.26 0.77 -0.77 2.57 5.85 -0.23 0.77 115.31 125.52 3gen h LEU 586 Ca 0.31 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.99 3gen h LEU 586 Cb 0.04 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 3gen h LEU 586 CO -0.05 0.67 0.44 0.24 -0.34 0.00 0.00 178.44 179.40 3gen h MET 587 N 0.81 0.76 -0.75 1.25 2.86 -0.59 -0.02 114.93 119.26 3gen h MET 587 Ca 0.21 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 3gen h MET 587 Cb 0.09 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 3gen h MET 587 CO -0.03 0.50 0.40 2.35 1.06 0.00 0.00 176.91 181.19 3gen h TRP 588 N 0.78 1.04 -0.58 -0.22 7.01 -0.40 -0.03 115.95 123.55 3gen h TRP 588 Ca 0.35 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.30 3gen h TRP 588 Cb 0.26 -0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 3gen h TRP 588 CO -0.06 0.74 0.27 0.93 -2.79 0.00 0.00 178.44 177.53 3gen h GLU 589 N 1.04 0.84 0.24 2.65 5.08 -0.02 -0.41 114.58 123.99 3gen h GLU 589 Ca 0.26 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3gen h GLU 589 Cb 0.06 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3gen h GLU 589 CO -0.04 0.68 -0.11 0.82 -1.00 0.00 0.00 179.01 179.36 3gen h ILE 590 N 0.79 0.78 0.00 3.13 2.04 -0.58 0.87 117.51 124.54 3gen h ILE 590 Ca 0.20 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.96 3gen h ILE 590 Cb 0.13 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3gen h ILE 590 CO -0.02 0.02 0.00 1.88 0.00 0.00 0.00 178.15 180.03 3gen h TYR 591 N -0.37 0.00 -0.38 1.37 -1.99 -0.89 -1.69 116.97 113.02 3gen h TYR 591 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3gen h TYR 591 Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.01 3gen h TYR 591 CO -0.05 0.00 0.00 0.43 -0.00 0.00 0.00 178.16 178.54 3gen n SER 592 N -2.45 2.71 -3.93 3.88 7.64 -0.17 -4.21 113.62 117.09 3gen n SER 592 Ca 0.02 -1.91 -0.30 0.00 1.01 0.00 0.00 58.87 57.68 3gen n SER 592 Cb 0.26 -0.25 0.02 0.00 -1.01 0.00 0.00 64.21 63.24 3gen n SER 592 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3gen n LEU 593 N 0.99 -2.52 0.00 -3.43 4.77 -0.64 -2.78 117.00 113.39 3gen n LEU 593 Ca 0.18 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 3gen n LEU 593 Cb 0.47 -2.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.02 3gen n LEU 593 CO 0.14 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3gen n GLY 594 N -1.68 0.68 3.69 -0.72 0.00 0.24 -3.84 105.19 103.57 3gen n GLY 594 Ca 0.03 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 3gen n GLY 594 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gen n LYS 595 N -2.59 1.48 -2.25 1.61 4.81 -1.12 -4.94 118.16 115.16 3gen n LYS 595 Ca 0.00 0.54 -0.42 0.00 -0.87 0.00 0.00 58.31 57.56 3gen n LYS 595 Cb 0.00 -2.39 -0.03 0.00 0.02 0.00 0.00 35.03 32.63 3gen n LYS 595 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 3gen s MET 596 N -2.69 4.33 0.34 1.64 -2.45 -1.26 -4.79 119.30 114.42 3gen s MET 596 Ca 0.71 1.95 -0.29 0.00 -1.25 0.00 0.00 55.69 56.81 3gen s MET 596 Cb -0.44 -3.41 -0.12 0.00 1.25 0.00 0.00 34.83 32.11 3gen s MET 596 CO 0.50 -0.45 1.46 -2.30 1.05 0.00 0.00 175.02 175.28 3gen n PRO 597 N 4.55 2.52 -3.67 4.11 -0.02 -1.26 -2.29 135.00 138.94 3gen n PRO 597 Ca 0.12 0.89 -0.23 0.00 -2.02 0.00 0.00 63.50 62.25 3gen n PRO 597 Cb 0.44 -2.59 0.05 0.00 -0.02 0.00 0.00 33.50 31.38 3gen n PRO 597 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gen n TYR 598 N 0.84 -2.20 -0.34 6.00 4.01 -1.26 -4.84 117.16 119.37 3gen n TYR 598 Ca 0.04 0.90 0.18 0.00 -0.16 0.00 0.00 57.90 58.87 3gen n TYR 598 Cb 0.37 -4.56 0.39 0.00 -0.31 0.00 0.00 39.34 35.24 3gen n TYR 598 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3gen h GLU 599 N -2.05 0.49 -0.01 -0.72 4.81 -1.86 -0.48 114.58 114.76 3gen h GLU 599 Ca -0.59 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.61 3gen h GLU 599 Cb 1.36 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3gen h GLU 599 CO 0.57 0.32 -0.09 0.54 -0.73 0.00 0.00 179.01 179.63 3gen n ARG 600 N -4.94 1.21 -4.13 1.92 1.74 -1.26 -4.89 116.66 106.30 3gen n ARG 600 Ca 0.27 -0.61 -0.28 0.00 -0.77 0.00 0.00 57.85 56.46 3gen n ARG 600 Cb 0.78 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.66 3gen n ARG 600 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3gen s PHE 601 N -2.21 3.00 0.88 -1.55 0.08 -0.19 -5.13 117.98 112.85 3gen s PHE 601 Ca 0.34 -0.05 -0.12 0.00 0.12 0.00 0.00 56.93 57.22 3gen s PHE 601 Cb 0.20 -1.49 0.12 0.00 -0.57 0.00 0.00 43.02 41.29 3gen s PHE 601 CO 0.41 0.50 1.15 0.95 -0.10 0.00 0.00 175.22 178.13 3gen s THR 602 N -1.56 2.03 0.19 0.64 -4.23 -1.26 -4.86 115.64 106.58 3gen s THR 602 Ca 0.28 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.67 3gen s THR 602 Cb -0.11 -2.83 0.10 0.00 1.34 0.00 0.00 72.50 71.00 3gen s THR 602 CO 0.20 -0.01 1.84 0.78 -0.54 0.00 0.00 174.62 176.88 3gen h ASN 603 N -1.36 0.62 -0.38 3.99 2.35 -1.99 0.70 115.58 119.51 3gen h ASN 603 Ca -0.49 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.28 3gen h ASN 603 Cb 1.33 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.53 3gen h ASN 603 CO 0.63 0.44 0.21 0.28 -1.65 0.00 0.00 177.43 177.34 3gen h SER 604 N 0.75 0.33 -0.69 5.81 0.02 -1.99 -0.80 113.55 116.98 3gen h SER 604 Ca 0.23 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.12 3gen h SER 604 Cb -0.02 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 3gen h SER 604 CO -0.08 0.24 0.13 -0.33 -1.14 0.00 0.00 176.83 175.64 3gen h GLU 605 N 0.43 1.13 -0.23 3.45 5.08 -1.87 -2.43 114.58 120.13 3gen h GLU 605 Ca 0.16 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3gen h GLU 605 Cb 0.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3gen h GLU 605 CO -0.09 1.02 0.13 1.15 -1.00 0.00 0.00 179.01 180.21 3gen h THR 606 N 1.05 1.01 -0.83 1.13 2.02 -0.47 0.47 112.91 117.30 3gen h THR 606 Ca 0.21 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 67.36 3gen h THR 606 Cb 0.42 0.73 -0.06 0.00 -1.74 0.00 0.00 68.15 67.50 3gen h THR 606 CO 0.01 0.05 0.52 0.00 0.37 0.00 0.00 175.52 176.46 3gen h ALA 607 N 1.11 1.13 0.06 6.16 0.00 -0.99 0.45 119.26 127.18 3gen h ALA 607 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gen h ALA 607 Cb 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3gen h ALA 607 CO -0.05 0.27 -0.03 0.93 0.00 0.00 0.00 179.25 180.37 3gen h GLU 608 N 0.95 -0.08 -0.47 0.00 5.08 -1.11 -0.69 114.58 118.27 3gen h GLU 608 Ca 0.36 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.82 3gen h GLU 608 Cb 0.14 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.31 3gen h GLU 608 CO -0.16 -0.01 -0.21 1.25 -1.00 0.00 0.00 179.01 178.88 3gen h HIS 609 N -0.13 -0.52 -0.40 4.33 2.76 -0.30 -1.31 115.15 119.58 3gen h HIS 609 Ca -0.01 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 3gen h HIS 609 Cb 0.11 0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 3gen h HIS 609 CO -0.06 -0.29 0.21 0.82 -1.30 0.00 0.00 177.93 177.30 3gen h ILE 610 N -0.11 1.16 0.00 6.26 1.08 -0.78 -1.91 117.51 123.21 3gen h ILE 610 Ca 0.22 -0.44 -0.00 0.00 -0.39 0.00 0.00 64.86 64.25 3gen h ILE 610 Cb 0.45 0.72 -0.00 0.00 -3.07 0.00 0.00 36.82 34.92 3gen h ILE 610 CO -0.54 0.17 -0.02 0.00 -0.69 0.00 0.00 178.15 177.07 3gen h ALA 611 N 1.06 1.09 -0.12 1.87 0.00 -0.45 -0.30 119.26 122.40 3gen h ALA 611 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gen h ALA 611 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3gen h ALA 611 CO -0.02 0.03 0.00 1.04 0.00 0.00 0.00 179.25 180.30 3gen n GLN 612 N -3.24 1.88 -0.79 0.00 6.02 -0.56 -4.94 117.38 115.76 3gen n GLN 612 Ca -0.02 -1.30 0.00 0.00 -0.01 0.00 0.00 57.00 55.67 3gen n GLN 612 Cb 0.17 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 29.98 3gen n GLN 612 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gen n GLY 613 N 1.22 0.59 3.90 1.08 0.00 -0.12 -5.05 105.19 106.81 3gen n GLY 613 Ca 0.17 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 3gen n GLY 613 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gen s LEU 614 N 0.00 3.28 0.11 0.99 1.43 -0.78 -5.01 118.68 118.70 3gen s LEU 614 Ca 0.00 0.97 -0.04 0.00 -1.03 0.00 0.00 54.13 54.02 3gen s LEU 614 Cb 0.00 -3.86 -0.03 0.00 0.03 0.00 0.00 46.19 42.33 3gen s LEU 614 CO 0.00 -0.95 0.11 -0.13 0.23 0.00 0.00 176.35 175.61 3gen s ARG 615 N -5.02 0.87 0.73 1.70 1.81 -1.26 -4.39 118.95 113.40 3gen s ARG 615 Ca 0.53 -1.23 -0.15 0.00 -1.72 0.00 0.00 55.73 53.16 3gen s ARG 615 Cb -0.11 0.28 0.04 0.00 -0.45 0.00 0.00 34.95 34.72 3gen s ARG 615 CO 0.48 -0.26 1.21 -0.51 -0.68 0.00 0.00 175.30 175.54 3gen s LEU 616 N -2.96 3.31 0.53 2.53 1.43 -1.26 -5.05 118.68 117.21 3gen s LEU 616 Ca 0.14 2.38 0.01 0.00 -1.03 0.00 0.00 54.13 55.63 3gen s LEU 616 Cb 0.06 -4.59 0.01 0.00 0.03 0.00 0.00 46.19 41.70 3gen s LEU 616 CO -0.04 -2.30 0.07 -0.72 0.23 0.00 0.00 176.35 173.59 3gen s TYR 617 N -1.96 1.72 -0.09 0.29 1.13 -1.26 -5.07 117.35 112.10 3gen s TYR 617 Ca 0.75 -0.98 -0.29 0.00 -1.41 0.00 0.00 57.07 55.13 3gen s TYR 617 Cb -0.30 -1.64 -0.05 0.00 -1.10 0.00 0.00 41.96 38.88 3gen s TYR 617 CO 0.46 0.08 1.68 0.50 -2.51 0.00 0.00 175.55 175.76 3gen s ARG 618 N -3.97 4.05 0.53 -3.49 3.52 -1.26 -4.98 118.95 113.36 3gen s ARG 618 Ca 0.06 2.09 -0.22 0.00 -0.13 0.00 0.00 55.73 57.54 3gen s ARG 618 Cb -0.00 -4.02 -0.05 0.00 -1.56 0.00 0.00 34.95 29.32 3gen s ARG 618 CO 0.04 -1.00 1.33 -2.14 -0.81 0.00 0.00 175.30 172.72 3gen s PRO 619 N 4.29 3.23 0.45 5.12 0.02 -1.26 -4.90 135.00 141.95 3gen s PRO 619 Ca 0.75 2.17 0.18 0.00 0.02 0.00 0.00 61.00 64.12 3gen s PRO 619 Cb -0.32 -2.28 1.13 0.00 0.02 0.00 0.00 34.50 33.05 3gen s PRO 619 CO 0.30 -1.10 1.93 0.45 -0.33 0.00 0.00 177.00 178.26 3gen h HIS 620 N 1.55 0.38 0.00 6.54 3.86 -1.94 -1.63 115.15 123.91 3gen h HIS 620 Ca -0.51 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 3gen h HIS 620 Cb 1.29 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.64 3gen h HIS 620 CO 0.47 0.14 -0.20 1.28 0.86 0.00 0.00 177.93 180.48 3gen n LEU 621 N -4.45 0.28 -4.67 2.43 4.77 -1.26 -4.81 117.00 109.28 3gen n LEU 621 Ca 0.14 0.33 -0.41 0.00 -0.03 0.00 0.00 56.01 56.03 3gen n LEU 621 Cb 0.56 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 3gen n LEU 621 CO 0.34 0.02 0.53 0.00 -1.33 0.00 0.00 177.39 176.95 3gen s ALA 622 N -3.02 3.49 0.96 -1.18 0.00 -0.61 -4.95 121.76 116.45 3gen s ALA 622 Ca 0.12 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.96 3gen s ALA 622 Cb 0.18 -3.14 0.17 0.00 0.00 0.00 0.00 23.12 20.33 3gen s ALA 622 CO 0.60 -0.55 1.09 -1.54 0.00 0.00 0.00 175.76 175.37 3gen s SER 623 N 1.11 2.79 0.25 0.00 1.04 -1.26 -4.75 113.70 112.88 3gen s SER 623 Ca 0.36 1.66 -0.03 0.00 0.48 0.00 0.00 55.95 58.42 3gen s SER 623 Cb -0.17 -2.30 0.42 0.00 0.10 0.00 0.00 66.02 64.07 3gen s SER 623 CO 0.13 -3.09 1.82 -0.33 0.98 0.00 0.00 173.24 172.75 3gen h GLU 624 N -1.86 0.84 -0.65 4.02 5.08 -1.98 -0.48 114.58 119.55 3gen h GLU 624 Ca -0.51 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.79 3gen h GLU 624 Cb 1.29 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 3gen h GLU 624 CO 0.51 0.56 0.35 0.87 -1.00 0.00 0.00 179.01 180.29 3gen h LYS 625 N 0.87 0.92 -0.38 2.33 1.57 -1.98 -0.03 116.57 119.86 3gen h LYS 625 Ca 0.42 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 59.01 3gen h LYS 625 Cb 0.36 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3gen h LYS 625 CO -0.24 0.70 -0.04 0.28 -0.57 0.00 0.00 179.45 179.58 3gen h VAL 626 N 0.89 1.27 -0.90 0.50 2.07 -1.78 -2.86 116.25 115.44 3gen h VAL 626 Ca 0.23 -1.07 0.02 0.00 0.82 0.00 0.00 66.70 66.70 3gen h VAL 626 Cb 0.06 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 3gen h VAL 626 CO -0.04 0.36 0.59 0.22 0.02 0.00 0.00 177.57 178.73 3gen h TYR 627 N 0.52 1.12 -0.84 1.57 3.20 -0.86 -1.93 116.97 119.75 3gen h TYR 627 Ca 0.10 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.10 3gen h TYR 627 Cb 0.53 -0.37 -0.08 0.00 1.54 0.00 0.00 36.73 38.35 3gen h TYR 627 CO 0.04 0.67 0.47 1.15 -1.64 0.00 0.00 178.16 178.86 3gen h THR 628 N 1.18 0.89 0.07 1.81 2.02 -0.86 0.17 112.91 118.19 3gen h THR 628 Ca 0.35 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 3gen h THR 628 Cb -0.06 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.39 3gen h THR 628 CO -0.10 0.14 -0.03 0.40 0.37 0.00 0.00 175.52 176.30 3gen h ILE 629 N 0.78 1.12 -0.70 3.11 2.04 -1.17 -1.44 117.51 121.24 3gen h ILE 629 Ca 0.41 -0.64 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 3gen h ILE 629 Cb 0.41 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 3gen h ILE 629 CO -0.26 0.16 0.20 0.00 0.00 0.00 0.00 178.15 178.24 3gen h MET 630 N -0.37 1.09 -0.16 2.37 -0.00 -1.10 -2.58 114.93 114.18 3gen h MET 630 Ca -0.01 -0.24 -0.05 0.00 -0.00 0.00 0.00 59.70 59.41 3gen h MET 630 Cb 0.33 -0.16 -0.01 0.00 -0.00 0.00 0.00 31.60 31.76 3gen h MET 630 CO 0.01 0.95 -0.10 -0.92 -0.00 0.00 0.00 176.91 176.85 3gen h TYR 631 N 1.05 0.26 0.00 -0.10 5.03 -0.91 -1.76 116.97 120.53 3gen h TYR 631 Ca 0.22 -0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.50 3gen h TYR 631 Cb 0.32 -0.07 -0.00 0.00 1.55 0.00 0.00 36.73 38.53 3gen h TYR 631 CO 0.03 0.36 -0.04 0.66 -1.32 0.00 0.00 178.16 177.84 3gen h SER 632 N 0.24 0.00 0.57 -2.11 4.64 -0.84 -1.46 113.55 114.59 3gen h SER 632 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3gen h SER 632 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3gen h SER 632 CO 0.02 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 3gen n TRP 634 N -1.42 0.52 -1.63 0.00 8.01 -0.55 -3.81 117.44 118.57 3gen n TRP 634 Ca 0.07 -0.81 -0.47 0.00 -1.31 0.00 0.00 57.50 54.98 3gen n TRP 634 Cb 0.21 -0.20 -0.03 0.00 -2.01 0.00 0.00 31.31 29.27 3gen n TRP 634 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 3gen n HIS 635 N -0.58 1.78 -0.10 -5.99 8.25 -1.25 -4.87 115.22 112.45 3gen n HIS 635 Ca 0.16 0.54 -0.06 0.00 -0.26 0.00 0.00 57.72 58.10 3gen n HIS 635 Cb 0.69 -2.38 0.01 0.00 1.12 0.00 0.00 29.99 29.42 3gen n HIS 635 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3gen h GLU 636 N 3.96 -0.05 -6.13 -0.41 4.57 -1.97 -3.39 114.58 111.16 3gen h GLU 636 Ca -0.44 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.17 3gen h GLU 636 Cb 1.31 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.86 3gen h GLU 636 CO 0.74 -0.03 0.86 0.15 -1.18 0.00 0.00 179.01 179.55 3gen s LYS 637 N -6.19 4.25 0.29 1.92 3.01 -1.26 -4.89 119.74 116.86 3gen s LYS 637 Ca -0.14 1.57 -0.01 0.00 -1.01 0.00 0.00 55.97 56.37 3gen s LYS 637 Cb 0.14 -3.72 0.45 0.00 -1.01 0.00 0.00 37.83 33.69 3gen s LYS 637 CO 0.70 -0.67 1.93 0.00 0.51 0.00 0.00 175.35 177.82 3gen h ALA 638 N 7.94 1.44 0.00 5.17 0.00 -1.98 -1.79 119.26 130.04 3gen h ALA 638 Ca -0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3gen h ALA 638 Cb 1.09 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3gen h ALA 638 CO 0.97 0.46 0.00 -0.25 0.00 0.00 0.00 179.25 180.43 3gen n ASP 639 N -4.45 0.59 0.00 0.00 8.00 -1.26 -1.99 116.55 117.44 3gen n ASP 639 Ca 0.12 0.69 0.12 0.00 0.71 0.00 0.00 54.79 56.43 3gen n ASP 639 Cb 0.12 -0.80 0.20 0.00 -0.02 0.00 0.00 41.12 40.62 3gen n ASP 639 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gen n GLU 640 N -2.20 0.02 -2.56 -1.24 1.02 -0.67 -4.89 120.64 110.10 3gen n GLU 640 Ca 0.01 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.79 3gen n GLU 640 Cb 0.15 -1.51 -0.04 0.00 -0.02 0.00 0.00 31.44 30.02 3gen n GLU 640 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3gen s ARG 641 N -3.01 4.16 1.05 3.49 0.52 -0.84 -4.94 118.95 119.39 3gen s ARG 641 Ca 0.10 1.48 -0.15 0.00 -0.52 0.00 0.00 55.73 56.64 3gen s ARG 641 Cb 0.17 -2.51 0.22 0.00 0.52 0.00 0.00 34.95 33.34 3gen s ARG 641 CO 0.72 -0.14 1.12 -1.25 0.02 0.00 0.00 175.30 175.77 3gen s PRO 642 N -2.55 -0.02 0.55 3.54 0.04 -1.26 -5.07 135.00 130.23 3gen s PRO 642 Ca 0.58 0.22 -0.03 0.00 0.04 0.00 0.00 61.00 61.81 3gen s PRO 642 Cb -0.21 -1.71 0.01 0.00 0.04 0.00 0.00 34.50 32.63 3gen s PRO 642 CO 0.26 -2.97 0.82 0.95 0.04 0.00 0.00 177.00 176.10 3gen s THR 643 N -3.09 3.49 0.43 1.26 -4.23 -1.26 -4.95 115.64 107.28 3gen s THR 643 Ca 0.67 -0.29 0.14 0.00 -1.18 0.00 0.00 61.69 61.03 3gen s THR 643 Cb -0.14 -3.35 0.16 0.00 1.34 0.00 0.00 72.50 70.51 3gen s THR 643 CO 0.56 -0.31 1.95 -0.26 -0.54 0.00 0.00 174.62 176.02 3gen h PHE 644 N 0.01 0.00 -0.37 3.99 0.04 -1.94 -0.84 116.94 117.83 3gen h PHE 644 Ca -0.45 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.32 3gen h PHE 644 Cb 1.27 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.40 3gen h PHE 644 CO 0.44 0.24 0.22 -0.22 -0.60 0.00 0.00 178.31 178.39 3gen h LYS 645 N 0.00 0.51 -0.30 1.51 3.64 -1.91 0.16 116.57 120.18 3gen h LYS 645 Ca -0.00 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 3gen h LYS 645 Cb 0.41 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3gen h LYS 645 CO 0.03 0.39 -0.02 0.82 -2.27 0.00 0.00 179.45 178.39 3gen h ILE 646 N 0.49 1.27 -0.83 2.00 2.04 -1.83 -2.13 117.51 118.51 3gen h ILE 646 Ca 0.13 -1.00 0.08 0.00 1.00 0.00 0.00 64.86 65.08 3gen h ILE 646 Cb 0.01 1.32 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 3gen h ILE 646 CO -0.02 0.32 0.49 -0.07 0.00 0.00 0.00 178.15 178.86 3gen h LEU 647 N 0.33 0.72 -0.49 1.44 3.38 -1.04 -0.98 115.31 118.66 3gen h LEU 647 Ca 0.08 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3gen h LEU 647 Cb 0.47 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3gen h LEU 647 CO 0.02 0.43 0.25 0.25 0.09 0.00 0.00 178.44 179.48 3gen h LEU 648 N 0.84 0.64 -0.69 1.67 5.85 -0.67 -0.11 115.31 122.83 3gen h LEU 648 Ca 0.39 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3gen h LEU 648 Cb 0.31 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3gen h LEU 648 CO -0.22 0.57 0.45 0.77 -0.34 0.00 0.00 178.44 179.66 3gen h SER 649 N 0.65 0.81 -0.65 1.25 4.64 -0.94 0.17 113.55 119.48 3gen h SER 649 Ca 0.17 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 3gen h SER 649 Cb 0.09 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 3gen h SER 649 CO -0.02 0.60 0.27 0.78 -0.87 0.00 0.00 176.83 177.59 3gen h ASN 650 N 0.94 0.89 -0.37 4.97 2.35 -0.67 -0.82 115.58 122.88 3gen h ASN 650 Ca 0.25 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 3gen h ASN 650 Cb -0.08 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.04 3gen h ASN 650 CO -0.05 0.81 0.11 0.40 -1.65 0.00 0.00 177.43 177.05 3gen h ILE 651 N 0.91 1.21 -0.80 2.81 2.04 -0.77 -1.76 117.51 121.16 3gen h ILE 651 Ca 0.22 -0.70 0.04 0.00 1.00 0.00 0.00 64.86 65.41 3gen h ILE 651 Cb 0.19 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 3gen h ILE 651 CO -0.02 0.24 0.51 -0.07 0.00 0.00 0.00 178.15 178.81 3gen h LEU 652 N 0.45 0.84 -0.47 1.44 3.38 -0.75 -1.22 115.31 118.98 3gen h LEU 652 Ca 0.12 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3gen h LEU 652 Cb 0.26 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3gen h LEU 652 CO -0.00 0.57 0.30 0.44 0.09 0.00 0.00 178.44 179.84 3gen h ASP 653 N 0.98 0.52 -0.66 -0.43 3.32 -0.85 -1.32 116.42 117.99 3gen h ASP 653 Ca 0.33 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.30 3gen h ASP 653 Cb 0.03 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3gen h ASP 653 CO -0.12 0.37 0.15 0.58 -1.72 0.00 0.00 179.24 178.50 3gen h VAL 654 N 0.62 1.26 -0.85 -1.35 2.07 -0.93 -1.25 116.25 115.81 3gen h VAL 654 Ca 0.18 -0.96 0.06 0.00 0.82 0.00 0.00 66.70 66.80 3gen h VAL 654 Cb -0.04 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 3gen h VAL 654 CO -0.05 0.37 0.53 0.24 0.02 0.00 0.00 177.57 178.67 3gen h MET 655 N 1.02 0.94 -0.14 1.57 2.86 -0.73 0.51 114.93 120.96 3gen h MET 655 Ca 0.21 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.67 3gen h MET 655 Cb 0.37 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 3gen h MET 655 CO 0.00 0.62 -0.45 -0.44 1.06 0.00 0.00 176.91 177.71 3gen h ASP 656 N 0.97 0.35 1.47 1.22 3.32 -0.72 -2.88 116.42 120.15 3gen h ASP 656 Ca 0.37 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 3gen h ASP 656 Cb 0.16 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3gen h ASP 656 CO -0.17 0.75 -0.54 -0.33 -1.72 0.00 0.00 179.24 177.24 3gen h GLU 657 N 0.27 0.00 0.00 3.56 5.08 -0.78 -3.51 114.58 119.19 3gen h GLU 657 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3gen h GLU 657 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3gen h GLU 657 CO 0.07 0.12 0.00 0.39 -1.00 0.00 0.00 179.01 178.59