#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k54 n GLY 393 N 0.00 1.77 0.00 2.72 0.00 -1.26 -1.03 105.19 107.39 3k54 n GLY 393 Ca 0.00 -0.32 0.10 0.00 0.00 0.00 0.00 46.02 45.80 3k54 n GLY 393 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k54 n SER 394 N -1.09 0.00 0.22 1.61 3.41 -1.26 -2.74 113.62 113.77 3k54 n SER 394 Ca 0.00 -0.17 0.11 0.00 -0.26 0.00 0.00 58.87 58.55 3k54 n SER 394 Cb 0.00 -0.21 0.33 0.00 -0.26 0.00 0.00 64.21 64.07 3k54 n SER 394 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 3k54 h TRP 395 N 0.00 0.00 -2.75 7.33 4.06 -1.41 -3.44 115.95 119.74 3k54 h TRP 395 Ca 0.00 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.40 3k54 h TRP 395 Cb 0.14 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.28 3k54 h TRP 395 CO 0.00 0.15 1.00 -2.00 -3.56 0.00 0.00 178.44 174.03 3k54 s GLU 396 N -3.37 4.21 -0.12 0.49 2.56 -1.02 0.14 118.70 121.58 3k54 s GLU 396 Ca 0.04 1.97 -0.06 0.00 0.00 0.00 0.00 54.97 56.92 3k54 s GLU 396 Cb 0.08 -3.86 -0.04 0.00 2.00 0.00 0.00 34.13 32.30 3k54 s GLU 396 CO 0.65 -0.77 0.10 0.42 -0.56 0.00 0.00 175.26 175.10 3k54 s ILE 397 N 3.68 5.17 -0.27 -3.70 1.01 0.86 -4.89 121.20 123.06 3k54 s ILE 397 Ca 0.66 0.09 -0.29 0.00 0.00 0.00 0.00 60.65 61.10 3k54 s ILE 397 Cb -0.29 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 3k54 s ILE 397 CO 0.24 0.59 1.63 -0.62 0.00 0.00 0.00 174.94 176.78 3k54 s ASP 398 N -0.75 6.26 0.36 3.58 -1.08 -1.26 -4.62 116.67 119.16 3k54 s ASP 398 Ca 0.13 1.46 0.11 0.00 -0.52 0.00 0.00 52.55 53.73 3k54 s ASP 398 Cb -0.12 -2.53 0.89 0.00 -1.46 0.00 0.00 42.92 39.70 3k54 s ASP 398 CO 0.03 -1.38 1.83 -0.65 0.52 0.00 0.00 175.17 175.51 3k54 h PRO 399 N 11.21 0.60 0.00 4.34 0.11 -1.97 0.23 132.00 146.52 3k54 h PRO 399 Ca -0.33 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3k54 h PRO 399 Cb 1.15 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3k54 h PRO 399 CO 1.02 0.39 0.00 0.36 -0.21 0.00 0.00 178.00 179.56 3k54 n LYS 400 N -4.61 0.53 -0.13 1.05 2.85 -1.26 -0.61 118.16 115.97 3k54 n LYS 400 Ca 0.20 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.55 3k54 n LYS 400 Cb 0.60 -1.45 0.28 0.00 -0.65 0.00 0.00 35.03 33.81 3k54 n LYS 400 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3k54 n ASP 401 N -0.95 1.92 -4.57 -5.58 8.00 0.81 -4.93 116.55 111.25 3k54 n ASP 401 Ca 0.11 -1.85 -0.34 0.00 0.71 0.00 0.00 54.79 53.43 3k54 n ASP 401 Cb 0.05 -0.18 -0.11 0.00 -0.02 0.00 0.00 41.12 40.86 3k54 n ASP 401 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3k54 s LEU 402 N -1.32 3.17 0.10 0.64 1.43 0.22 -0.21 118.68 122.72 3k54 s LEU 402 Ca 0.30 -0.03 0.10 0.00 -1.03 0.00 0.00 54.13 53.47 3k54 s LEU 402 Cb 0.16 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 3k54 s LEU 402 CO 0.23 0.35 -0.26 0.42 0.23 0.00 0.00 176.35 177.31 3k54 s THR 403 N -0.70 2.14 -0.25 5.49 -4.23 -0.41 -4.98 115.64 112.70 3k54 s THR 403 Ca 0.11 -1.63 -0.02 0.00 -1.18 0.00 0.00 61.69 58.97 3k54 s THR 403 Cb -0.11 -1.89 0.02 0.00 1.34 0.00 0.00 72.50 71.86 3k54 s THR 403 CO 0.02 0.14 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.83 3k54 s PHE 404 N -1.00 3.08 -0.09 3.99 0.08 -1.26 -1.60 117.98 121.18 3k54 s PHE 404 Ca 0.12 -1.48 0.21 0.00 0.12 0.00 0.00 56.93 55.91 3k54 s PHE 404 Cb -0.10 -2.08 -0.27 0.00 -0.57 0.00 0.00 43.02 40.00 3k54 s PHE 404 CO 0.05 -0.71 0.54 1.28 -0.10 0.00 0.00 175.22 176.28 3k54 n LEU 405 N 4.69 0.18 -3.54 -0.37 4.32 0.87 -4.95 117.00 118.21 3k54 n LEU 405 Ca -0.16 0.07 -0.11 0.00 -0.02 0.00 0.00 56.01 55.79 3k54 n LEU 405 Cb 0.47 0.05 -0.04 0.00 -1.62 0.00 0.00 43.42 42.29 3k54 n LEU 405 CO 0.27 0.04 0.69 -0.75 -1.22 0.00 0.00 177.39 176.42 3k54 s LYS 406 N -3.34 0.76 0.18 3.23 2.20 -0.89 -5.03 119.74 116.86 3k54 s LYS 406 Ca -0.07 -0.04 -0.15 0.00 -0.36 0.00 0.00 55.97 55.36 3k54 s LYS 406 Cb 0.12 0.35 -0.07 0.00 -1.51 0.00 0.00 37.83 36.72 3k54 s LYS 406 CO 0.88 -0.28 0.60 -2.00 -0.36 0.00 0.00 175.35 174.18 3k54 s GLU 407 N -2.00 4.02 -0.00 4.03 2.12 -1.26 -2.10 118.70 123.51 3k54 s GLU 407 Ca -0.00 0.56 -0.00 0.00 0.36 0.00 0.00 54.97 55.89 3k54 s GLU 407 Cb -0.01 -2.86 -0.00 0.00 0.26 0.00 0.00 34.13 31.52 3k54 s GLU 407 CO -0.02 0.42 -0.00 1.28 -0.54 0.00 0.00 175.26 176.40 3k54 n LEU 408 N 0.62 1.75 -3.79 2.70 4.32 0.08 -4.81 117.00 117.87 3k54 n LEU 408 Ca -0.04 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.93 3k54 n LEU 408 Cb 0.52 -0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.31 3k54 n LEU 408 CO 0.43 0.29 0.78 -0.83 -1.22 0.00 0.00 177.39 176.84 3k54 s GLY 409 N -4.42 -0.13 0.00 -0.72 0.00 -1.13 -4.97 107.32 95.95 3k54 s GLY 409 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.73 3k54 s GLY 409 CO 0.00 0.79 0.00 -1.30 0.00 0.00 0.00 173.10 172.59 3k54 n THR 410 N -0.55 0.00 1.17 0.90 -2.24 -1.26 -2.95 114.28 109.35 3k54 n THR 410 Ca -0.05 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.77 3k54 n THR 410 Cb 0.60 0.47 0.13 0.00 -2.10 0.00 0.00 70.33 69.44 3k54 n THR 410 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k54 n GLY 411 N 0.00 0.22 0.60 3.38 0.00 -1.26 -3.83 105.19 104.30 3k54 n GLY 411 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 45.71 3k54 n GLY 411 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3k54 n GLN 412 N 0.26 0.00 0.00 1.61 0.00 -1.26 -5.06 117.38 112.93 3k54 n GLN 412 Ca 0.09 -0.29 0.00 0.00 -0.00 0.00 0.00 57.00 56.80 3k54 n GLN 412 Cb 0.22 0.16 0.00 0.00 0.00 0.00 0.00 30.24 30.63 3k54 n GLN 412 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3k54 n PHE 413 N 0.00 -1.13 0.00 3.69 3.01 -1.25 -5.14 117.46 116.64 3k54 n PHE 413 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 3k54 n PHE 413 Cb 0.50 0.34 0.00 0.00 -0.01 0.00 0.00 39.48 40.31 3k54 n PHE 413 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k54 n GLY 414 N -0.45 3.15 0.08 1.37 0.00 -1.25 -4.94 105.19 103.15 3k54 n GLY 414 Ca 0.00 -1.18 -0.01 0.00 0.00 0.00 0.00 46.02 44.82 3k54 n GLY 414 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k54 n VAL 415 N 0.65 0.00 -3.82 1.61 0.31 -1.22 -4.07 118.33 111.79 3k54 n VAL 415 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 3k54 n VAL 415 Cb 0.00 -0.01 -0.08 0.00 -0.91 0.00 0.00 33.84 32.84 3k54 n VAL 415 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3k54 s VAL 416 N 0.12 5.32 0.02 2.52 1.01 -1.15 -1.69 120.40 126.54 3k54 s VAL 416 Ca 0.03 0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.22 3k54 s VAL 416 Cb -0.03 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 3k54 s VAL 416 CO 0.02 0.49 -0.17 -0.54 0.00 0.00 0.00 175.10 174.89 3k54 s LYS 417 N 0.03 1.25 0.08 2.72 1.02 -0.52 -0.74 119.74 123.58 3k54 s LYS 417 Ca 0.09 -0.77 -0.30 0.00 0.02 0.00 0.00 55.97 55.00 3k54 s LYS 417 Cb -0.11 -1.28 -0.06 0.00 -0.52 0.00 0.00 37.83 35.86 3k54 s LYS 417 CO -0.00 0.33 1.10 -0.47 -0.92 0.00 0.00 175.35 175.39 3k54 s TYR 418 N -0.68 3.56 0.13 3.18 5.04 -0.89 -0.50 117.35 127.19 3k54 s TYR 418 Ca 0.05 1.52 -0.03 0.00 -2.44 0.00 0.00 57.07 56.17 3k54 s TYR 418 Cb -0.08 -3.28 0.01 0.00 0.35 0.00 0.00 41.96 38.96 3k54 s TYR 418 CO 0.01 -0.68 0.22 0.41 -1.34 0.00 0.00 175.55 174.17 3k54 n GLY 419 N 2.75 2.20 3.35 8.97 0.00 -0.73 -0.09 105.19 121.64 3k54 n GLY 419 Ca 0.06 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 3k54 n GLY 419 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k54 s LYS 420 N -2.15 1.51 -0.14 1.61 -0.14 -0.63 -1.08 119.74 118.73 3k54 s LYS 420 Ca 0.07 -1.21 -0.00 0.00 -1.36 0.00 0.00 55.97 53.47 3k54 s LYS 420 Cb -0.01 -1.84 -0.01 0.00 -1.68 0.00 0.00 37.83 34.29 3k54 s LYS 420 CO 0.05 0.45 -0.14 -0.46 -0.76 0.00 0.00 175.35 174.50 3k54 s TRP 421 N -0.96 2.80 -1.48 3.18 -0.00 0.68 -1.29 118.94 121.87 3k54 s TRP 421 Ca 0.12 -0.76 -0.05 0.00 -0.00 0.00 0.00 56.10 55.41 3k54 s TRP 421 Cb -0.10 -1.86 0.02 0.00 -0.00 0.00 0.00 33.47 31.53 3k54 s TRP 421 CO 0.04 -0.29 0.46 0.54 -0.00 0.00 0.00 176.95 177.70 3k54 n ARG 422 N 3.69 -3.97 -0.38 5.86 1.74 0.71 -1.69 116.66 122.63 3k54 n ARG 422 Ca -0.18 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 3k54 n ARG 422 Cb 0.52 -5.58 0.00 0.00 -1.02 0.00 0.00 32.46 26.38 3k54 n ARG 422 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k54 n GLY 423 N -1.33 0.05 0.34 -0.13 0.00 -1.26 -4.64 105.19 98.22 3k54 n GLY 423 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 3k54 n GLY 423 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k54 n GLN 424 N -2.00 0.10 -3.58 1.61 6.02 -0.88 -5.06 117.38 113.58 3k54 n GLN 424 Ca 0.00 0.03 -0.36 0.00 -0.01 0.00 0.00 57.00 56.66 3k54 n GLN 424 Cb 0.00 -0.92 -0.07 0.00 1.02 0.00 0.00 30.24 30.26 3k54 n GLN 424 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3k54 s TYR 425 N -2.08 3.46 0.14 1.08 2.02 -0.68 -4.91 117.35 116.37 3k54 s TYR 425 Ca -0.06 0.54 -0.30 0.00 -0.37 0.00 0.00 57.07 56.88 3k54 s TYR 425 Cb 0.02 -2.30 -0.07 0.00 -0.40 0.00 0.00 41.96 39.21 3k54 s TYR 425 CO 0.09 0.26 1.19 -0.51 -1.57 0.00 0.00 175.55 175.01 3k54 s ASP 426 N 0.40 7.10 0.09 2.29 -0.00 -1.26 -0.23 116.67 125.06 3k54 s ASP 426 Ca 0.15 2.13 0.02 0.00 -0.00 0.00 0.00 52.55 54.85 3k54 s ASP 426 Cb -0.13 -2.60 -0.04 0.00 -0.00 0.00 0.00 42.92 40.16 3k54 s ASP 426 CO 0.03 -0.39 -0.06 0.68 -0.00 0.00 0.00 175.17 175.42 3k54 s VAL 427 N 0.37 0.65 -0.05 -1.27 -7.23 -0.24 -3.47 120.40 109.16 3k54 s VAL 427 Ca 0.55 -1.89 -0.01 0.00 -1.81 0.00 0.00 61.98 58.82 3k54 s VAL 427 Cb -0.31 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 3k54 s VAL 427 CO 0.33 -0.86 0.02 0.00 -0.31 0.00 0.00 175.10 174.28 3k54 s ALA 428 N -3.56 3.36 -0.17 1.32 0.00 -0.87 -1.77 121.76 120.07 3k54 s ALA 428 Ca 0.11 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.22 3k54 s ALA 428 Cb 0.05 -1.48 0.04 0.00 0.00 0.00 0.00 23.12 21.73 3k54 s ALA 428 CO -0.05 0.63 -0.09 0.42 0.00 0.00 0.00 175.76 176.66 3k54 s ILE 429 N -1.01 1.42 -0.34 0.00 1.01 0.35 -1.35 121.20 121.29 3k54 s ILE 429 Ca 0.17 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.93 3k54 s ILE 429 Cb -0.12 -1.50 -0.00 0.00 0.01 0.00 0.00 42.46 40.85 3k54 s ILE 429 CO 0.07 0.22 0.20 -0.75 0.00 0.00 0.00 174.94 174.67 3k54 s LYS 430 N 1.51 3.28 -0.31 2.79 2.20 0.11 -1.44 119.74 127.88 3k54 s LYS 430 Ca 0.01 -0.77 -0.10 0.00 -0.36 0.00 0.00 55.97 54.74 3k54 s LYS 430 Cb -0.15 -3.69 -0.02 0.00 -1.51 0.00 0.00 37.83 32.47 3k54 s LYS 430 CO -0.08 -0.49 0.17 -1.64 -0.36 0.00 0.00 175.35 172.95 3k54 s MET 431 N 1.64 3.46 0.45 4.03 -1.94 -0.68 -0.65 119.30 125.60 3k54 s MET 431 Ca 0.05 -0.65 0.07 0.00 -1.71 0.00 0.00 55.69 53.45 3k54 s MET 431 Cb -0.18 -3.61 -0.01 0.00 2.01 0.00 0.00 34.83 33.04 3k54 s MET 431 CO 0.08 -0.38 0.35 0.96 -0.01 0.00 0.00 175.02 176.02 3k54 s ILE 432 N 1.65 2.32 0.06 2.53 -4.36 -1.06 -3.40 121.20 118.94 3k54 s ILE 432 Ca 0.05 -1.44 -0.22 0.00 -0.26 0.00 0.00 60.65 58.78 3k54 s ILE 432 Cb -0.17 -2.77 0.05 0.00 1.25 0.00 0.00 42.46 40.82 3k54 s ILE 432 CO 0.08 0.00 0.51 -1.59 0.24 0.00 0.00 174.94 174.17 3k54 s LYS 433 N -4.13 1.04 -0.72 0.37 -2.85 -1.26 -4.18 119.74 108.01 3k54 s LYS 433 Ca 0.44 -0.29 -0.17 0.00 -1.00 0.00 0.00 55.97 54.94 3k54 s LYS 433 Cb -0.01 0.48 0.14 0.00 -2.06 0.00 0.00 37.83 36.37 3k54 s LYS 433 CO 0.25 -0.38 0.78 -2.00 0.10 0.00 0.00 175.35 174.10 3k54 s GLU 434 N -2.63 3.31 0.00 1.78 -6.30 -1.26 -5.15 118.70 108.45 3k54 s GLU 434 Ca -0.04 -1.77 0.00 0.00 -2.50 0.00 0.00 54.97 50.66 3k54 s GLU 434 Cb -0.00 -4.44 0.00 0.00 0.00 0.00 0.00 34.13 29.68 3k54 s GLU 434 CO -0.03 -1.50 0.00 0.34 0.02 0.00 0.00 175.26 174.09 3k54 n PHE 442 N 5.60 0.00 -0.14 5.30 7.35 -1.26 -5.24 117.46 129.06 3k54 n PHE 442 Ca 0.03 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.84 3k54 n PHE 442 Cb 0.45 0.00 0.19 0.00 0.35 0.00 0.00 39.48 40.47 3k54 n PHE 442 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 3k54 n ILE 443 N 0.00 -0.05 -0.02 -2.13 0.13 -1.26 -1.76 119.36 114.27 3k54 n ILE 443 Ca 0.00 0.47 -0.02 0.00 -1.10 0.00 0.00 62.75 62.10 3k54 n ILE 443 Cb 0.00 -0.77 -0.02 0.00 -0.84 0.00 0.00 39.64 38.01 3k54 n ILE 443 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 3k54 n GLU 444 N -3.00 2.59 0.36 9.51 -0.58 -1.26 -4.77 120.64 123.49 3k54 n GLU 444 Ca 0.11 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.68 3k54 n GLU 444 Cb 0.46 -1.08 -0.09 0.00 -0.57 0.00 0.00 31.44 30.16 3k54 n GLU 444 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3k54 h GLU 445 N 0.00 -0.87 -0.69 3.49 4.81 -1.54 -1.26 114.58 118.51 3k54 h GLU 445 Ca -0.08 0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 3k54 h GLU 445 Cb 1.17 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.72 3k54 h GLU 445 CO -0.00 -0.56 0.26 0.00 -0.73 0.00 0.00 179.01 177.97 3k54 h ALA 446 N -0.68 1.15 -0.86 2.92 0.00 -1.92 -1.39 119.26 118.48 3k54 h ALA 446 Ca -0.09 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.69 3k54 h ALA 446 Cb 0.71 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 3k54 h ALA 446 CO 0.15 0.61 0.53 -0.22 0.00 0.00 0.00 179.25 180.32 3k54 h LYS 447 N 1.01 0.95 0.35 0.00 3.11 -1.78 0.80 116.57 121.01 3k54 h LYS 447 Ca 0.23 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 58.00 3k54 h LYS 447 Cb 0.22 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 3k54 h LYS 447 CO -0.02 0.63 -0.17 0.28 -2.81 0.00 0.00 179.45 177.36 3k54 h VAL 448 N 0.98 0.67 0.00 2.00 2.07 -1.02 -3.15 116.25 117.79 3k54 h VAL 448 Ca 0.37 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.79 3k54 h VAL 448 Cb 0.16 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3k54 h VAL 448 CO -0.17 0.02 -0.02 0.24 0.02 0.00 0.00 177.57 177.66 3k54 h MET 449 N -0.52 0.00 0.00 1.57 2.86 -0.11 -1.62 114.93 117.10 3k54 h MET 449 Ca -0.05 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 3k54 h MET 449 Cb 0.39 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 3k54 h MET 449 CO 0.08 0.02 -0.48 0.52 1.06 0.00 0.00 176.91 178.11 3k54 h MET 450 N 0.00 0.00 -0.02 1.72 2.07 0.62 -3.31 114.93 116.02 3k54 h MET 450 Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3k54 h MET 450 Cb 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.89 3k54 h MET 450 CO 0.00 0.48 -0.29 0.09 1.07 0.00 0.00 176.91 178.26 3k54 n ASN 451 N -3.74 1.97 -4.25 1.22 5.03 -0.62 -4.92 115.26 109.95 3k54 n ASN 451 Ca -0.01 -1.48 -0.29 0.00 0.87 0.00 0.00 54.58 53.67 3k54 n ASN 451 Cb 0.53 0.26 -0.16 0.00 -1.02 0.00 0.00 39.78 39.39 3k54 n ASN 451 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3k54 s LEU 452 N -2.34 2.04 -0.20 3.41 1.43 -1.20 -5.11 118.68 116.71 3k54 s LEU 452 Ca 0.24 -0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 52.83 3k54 s LEU 452 Cb 0.19 -1.19 0.08 0.00 0.03 0.00 0.00 46.19 45.30 3k54 s LEU 452 CO 0.48 0.26 0.43 -0.44 0.23 0.00 0.00 176.35 177.32 3k54 s SER 453 N -0.43 -0.38 -0.03 2.29 0.01 -1.26 -4.89 113.70 109.00 3k54 s SER 453 Ca 0.06 1.00 -0.21 0.00 1.31 0.00 0.00 55.95 58.10 3k54 s SER 453 Cb -0.10 1.20 0.04 0.00 0.21 0.00 0.00 66.02 67.38 3k54 s SER 453 CO 0.00 -0.22 0.46 -2.28 0.41 0.00 0.00 173.24 171.61 3k54 s HIS 454 N 2.22 -0.37 0.64 2.43 5.04 -1.26 -5.01 115.29 118.98 3k54 s HIS 454 Ca -0.04 0.61 0.36 0.00 -1.54 0.00 0.00 55.06 54.45 3k54 s HIS 454 Cb -0.11 0.22 2.02 0.00 0.04 0.00 0.00 32.58 34.75 3k54 s HIS 454 CO -0.13 -0.48 2.22 0.93 -2.34 0.00 0.00 174.74 174.94 3k54 h GLU 455 N 3.53 0.00 -0.43 2.88 5.08 -2.01 -2.58 114.58 121.05 3k54 h GLU 455 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3k54 h GLU 455 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3k54 h GLU 455 CO 0.40 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.04 3k54 n LYS 456 N -3.35 3.14 -4.79 2.33 4.01 -1.26 -4.90 118.16 113.35 3k54 n LYS 456 Ca -0.02 -2.54 -0.33 0.00 -0.51 0.00 0.00 58.31 54.91 3k54 n LYS 456 Cb 0.18 -1.62 -0.13 0.00 -0.51 0.00 0.00 35.03 32.95 3k54 n LYS 456 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3k54 s LEU 457 N -1.74 2.82 0.11 -0.35 1.43 -0.97 -0.98 118.68 118.99 3k54 s LEU 457 Ca 0.38 -0.21 -0.32 0.00 -1.03 0.00 0.00 54.13 52.94 3k54 s LEU 457 Cb 0.25 -1.60 -0.11 0.00 0.03 0.00 0.00 46.19 44.75 3k54 s LEU 457 CO 0.17 0.28 1.81 0.52 0.23 0.00 0.00 176.35 179.36 3k54 n VAL 458 N 2.78 0.33 -3.26 -1.59 0.31 -0.61 -4.64 118.33 111.64 3k54 n VAL 458 Ca -0.18 -0.06 -0.39 0.00 -0.01 0.00 0.00 64.34 63.70 3k54 n VAL 458 Cb 0.52 -2.01 -0.07 0.00 -0.91 0.00 0.00 33.84 31.37 3k54 n VAL 458 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3k54 s GLN 459 N 2.59 4.11 0.24 5.55 2.00 -1.26 -4.97 119.66 127.92 3k54 s GLN 459 Ca 0.83 0.32 -0.31 0.00 -2.00 0.00 0.00 55.36 54.19 3k54 s GLN 459 Cb -0.53 -3.62 -0.12 0.00 0.80 0.00 0.00 33.01 29.54 3k54 s GLN 459 CO 0.39 -0.26 1.68 -1.17 -0.50 0.00 0.00 175.29 175.43 3k54 s LEU 460 N 2.01 4.36 -0.17 3.68 0.20 -1.26 -1.37 118.68 126.13 3k54 s LEU 460 Ca 0.21 2.90 0.18 0.00 0.69 0.00 0.00 54.13 58.11 3k54 s LEU 460 Cb -0.15 -3.61 -0.26 0.00 -0.43 0.00 0.00 46.19 41.74 3k54 s LEU 460 CO 0.09 -0.96 0.15 -1.22 -0.29 0.00 0.00 176.35 174.13 3k54 n TYR 461 N 3.40 0.07 -0.02 5.38 0.53 0.95 -4.89 117.16 122.57 3k54 n TYR 461 Ca 0.13 0.02 0.00 0.00 -1.02 0.00 0.00 57.90 57.04 3k54 n TYR 461 Cb 0.36 -0.97 0.00 0.00 -1.03 0.00 0.00 39.34 37.70 3k54 n TYR 461 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3k54 n GLY 462 N 1.69 -2.44 3.21 2.72 0.00 -1.07 -4.86 105.19 104.43 3k54 n GLY 462 Ca -0.29 -1.24 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 3k54 n GLY 462 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k54 s VAL 463 N -2.01 0.95 -0.35 1.61 -7.23 0.12 -1.03 120.40 112.47 3k54 s VAL 463 Ca 0.00 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 3k54 s VAL 463 Cb 0.00 -1.77 0.10 0.00 0.56 0.00 0.00 36.38 35.27 3k54 s VAL 463 CO 0.00 -0.80 0.08 0.00 -0.31 0.00 0.00 175.10 174.06 3k54 n THR 465 N 4.29 0.00 0.88 0.00 -1.04 -1.26 -2.27 114.28 114.87 3k54 n THR 465 Ca 0.03 -0.23 0.02 0.00 -2.04 0.00 0.00 64.05 61.83 3k54 n THR 465 Cb 0.42 0.36 0.10 0.00 -1.82 0.00 0.00 70.33 69.39 3k54 n THR 465 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3k54 n LYS 466 N -1.77 1.78 -3.56 -2.82 4.76 -1.26 -4.92 118.16 110.37 3k54 n LYS 466 Ca -0.01 -0.78 -0.12 0.00 -2.87 0.00 0.00 58.31 54.52 3k54 n LYS 466 Cb 0.25 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 31.92 3k54 n LYS 466 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3k54 s GLN 467 N -1.58 1.09 0.00 1.97 -0.44 -1.26 -5.15 119.66 114.28 3k54 s GLN 467 Ca 0.14 -0.42 0.00 0.00 -2.50 0.00 0.00 55.36 52.58 3k54 s GLN 467 Cb 0.09 0.49 0.00 0.00 -1.64 0.00 0.00 33.01 31.95 3k54 s GLN 467 CO 0.06 -0.42 0.00 0.54 0.50 0.00 0.00 175.29 175.97 3k54 n ARG 468 N 0.08 0.00 -2.41 1.67 3.00 -1.26 -3.87 116.66 113.87 3k54 n ARG 468 Ca -0.17 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.25 3k54 n ARG 468 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.05 3k54 n ARG 468 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 3k54 s PRO 469 N 0.00 4.47 0.48 5.56 0.02 -1.26 -5.02 135.00 139.25 3k54 s PRO 469 Ca 0.00 1.81 -0.23 0.00 0.02 0.00 0.00 61.00 62.60 3k54 s PRO 469 Cb 0.00 -3.30 -0.08 0.00 0.02 0.00 0.00 34.50 31.14 3k54 s PRO 469 CO 0.00 -0.16 1.13 -0.89 -0.33 0.00 0.00 177.00 176.76 3k54 n ILE 470 N 3.20 2.95 -4.97 2.83 -0.00 -1.25 -4.86 119.36 117.27 3k54 n ILE 470 Ca 0.06 -0.50 -0.32 0.00 -0.00 0.00 0.00 62.75 61.99 3k54 n ILE 470 Cb 0.46 -1.36 -0.14 0.00 -0.00 0.00 0.00 39.64 38.60 3k54 n ILE 470 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 3k54 s PHE 471 N -1.31 2.64 -0.06 1.39 0.40 -0.96 -2.56 117.98 117.51 3k54 s PHE 471 Ca 0.66 -0.23 0.05 0.00 -0.60 0.00 0.00 56.93 56.81 3k54 s PHE 471 Cb -0.49 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 41.42 3k54 s PHE 471 CO 0.54 0.13 -0.21 0.42 0.70 0.00 0.00 175.22 176.80 3k54 s ILE 472 N -0.67 2.39 -0.11 0.64 1.09 0.17 -1.50 121.20 123.22 3k54 s ILE 472 Ca 0.10 -0.95 0.03 0.00 -1.10 0.00 0.00 60.65 58.74 3k54 s ILE 472 Cb -0.11 -1.90 0.01 0.00 -1.06 0.00 0.00 42.46 39.40 3k54 s ILE 472 CO 0.00 0.57 -0.20 -0.63 -0.10 0.00 0.00 174.94 174.58 3k54 s ILE 473 N -0.22 1.83 0.39 2.92 1.09 -0.20 0.10 121.20 127.11 3k54 s ILE 473 Ca -0.01 -0.87 0.04 0.00 -1.10 0.00 0.00 60.65 58.71 3k54 s ILE 473 Cb -0.13 -1.61 -0.03 0.00 -1.06 0.00 0.00 42.46 39.63 3k54 s ILE 473 CO 0.03 0.51 0.13 0.42 -0.10 0.00 0.00 174.94 175.92 3k54 s THR 474 N 0.60 0.63 0.61 2.92 -4.23 -0.46 -0.04 115.64 115.68 3k54 s THR 474 Ca -0.14 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.19 3k54 s THR 474 Cb -0.17 -2.40 -0.03 0.00 1.34 0.00 0.00 72.50 71.24 3k54 s THR 474 CO 0.04 0.00 1.23 -1.83 -0.54 0.00 0.00 174.62 173.52 3k54 s GLU 475 N -3.73 2.85 -0.07 3.99 -1.05 -0.47 -2.04 118.70 118.18 3k54 s GLU 475 Ca 0.26 1.89 -0.18 0.00 -0.15 0.00 0.00 54.97 56.78 3k54 s GLU 475 Cb 0.03 -1.91 -0.05 0.00 -0.44 0.00 0.00 34.13 31.77 3k54 s GLU 475 CO 0.15 -1.32 0.50 -0.47 0.95 0.00 0.00 175.26 175.07 3k54 s TYR 476 N -1.55 3.59 -0.48 4.83 5.04 -1.23 -4.19 117.35 123.37 3k54 s TYR 476 Ca 0.79 0.99 -0.07 0.00 -2.44 0.00 0.00 57.07 56.34 3k54 s TYR 476 Cb -0.32 -2.52 0.13 0.00 0.35 0.00 0.00 41.96 39.59 3k54 s TYR 476 CO 0.35 0.30 0.33 -1.64 -1.34 0.00 0.00 175.55 173.54 3k54 s MET 477 N 0.13 2.37 0.53 4.97 -1.94 -1.26 -4.84 119.30 119.25 3k54 s MET 477 Ca 0.27 -1.90 0.21 0.00 -1.71 0.00 0.00 55.69 52.57 3k54 s MET 477 Cb -0.16 -3.81 1.42 0.00 2.01 0.00 0.00 34.83 34.29 3k54 s MET 477 CO 0.13 -1.16 2.15 0.00 -0.01 0.00 0.00 175.02 176.13 3k54 h ALA 478 N 8.14 1.71 -0.23 3.03 0.00 -1.79 -2.19 119.26 127.92 3k54 h ALA 478 Ca -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3k54 h ALA 478 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3k54 h ALA 478 CO 0.79 0.06 0.00 0.09 0.00 0.00 0.00 179.25 180.19 3k54 n ASN 479 N -4.18 2.65 -0.01 0.00 5.03 0.21 -4.92 115.26 114.04 3k54 n ASN 479 Ca -0.03 -1.87 0.00 0.00 0.87 0.00 0.00 54.58 53.56 3k54 n ASN 479 Cb 0.13 -0.15 0.00 0.00 -1.02 0.00 0.00 39.78 38.75 3k54 n ASN 479 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3k54 n GLY 480 N 1.33 -1.30 3.77 7.41 0.00 -0.82 -4.67 105.19 110.91 3k54 n GLY 480 Ca 0.17 -1.27 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 3k54 n GLY 480 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k54 h LEU 482 N 2.88 0.89 -0.47 0.00 5.85 -1.21 -2.30 115.31 120.95 3k54 h LEU 482 Ca -0.48 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 3k54 h LEU 482 Cb 1.23 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 3k54 h LEU 482 CO 0.63 0.52 0.26 0.25 -0.34 0.00 0.00 178.44 179.76 3k54 h LEU 483 N 0.98 0.58 -1.10 2.25 5.85 -1.80 -0.43 115.31 121.64 3k54 h LEU 483 Ca 0.44 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 59.00 3k54 h LEU 483 Cb 0.39 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3k54 h LEU 483 CO -0.20 0.50 -0.26 0.78 -0.34 0.00 0.00 178.44 178.91 3k54 h ASN 484 N 0.62 0.30 -0.36 1.25 -0.26 -1.81 -2.70 115.58 112.62 3k54 h ASN 484 Ca 0.17 -0.10 -0.11 0.00 -0.56 0.00 0.00 56.30 55.70 3k54 h ASN 484 Cb 0.04 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.21 3k54 h ASN 484 CO -0.03 0.57 -0.21 0.22 -1.06 0.00 0.00 177.43 176.93 3k54 h TYR 485 N 0.27 0.90 -0.34 1.19 3.20 -1.04 -2.15 116.97 119.00 3k54 h TYR 485 Ca 0.04 -0.23 -0.10 0.00 3.14 0.00 0.00 58.73 61.58 3k54 h TYR 485 Cb 0.62 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 3k54 h TYR 485 CO 0.01 0.98 -0.18 -0.07 -1.64 0.00 0.00 178.16 177.26 3k54 h LEU 486 N 0.56 0.64 0.00 2.82 -0.00 -0.92 -2.91 115.31 115.50 3k54 h LEU 486 Ca 0.08 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.75 3k54 h LEU 486 Cb 0.76 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 3k54 h LEU 486 CO 0.06 0.83 0.00 0.54 -0.00 0.00 0.00 178.44 179.87 3k54 n ARG 487 N -4.14 0.06 -2.54 1.13 1.74 -1.03 -4.57 116.66 107.30 3k54 n ARG 487 Ca 0.00 0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.73 3k54 n ARG 487 Cb 0.39 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 3k54 n ARG 487 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3k54 s GLU 488 N -2.93 3.21 0.57 5.56 2.56 -0.83 -4.90 118.70 121.95 3k54 s GLU 488 Ca 0.14 -0.17 0.33 0.00 0.00 0.00 0.00 54.97 55.27 3k54 s GLU 488 Cb 0.17 -4.17 1.74 0.00 2.00 0.00 0.00 34.13 33.87 3k54 s GLU 488 CO 0.46 -2.12 2.16 0.52 -0.56 0.00 0.00 175.26 175.72 3k54 h MET 489 N 10.08 0.00 -0.15 4.30 2.86 -1.87 -2.63 114.93 127.52 3k54 h MET 489 Ca -0.28 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.41 3k54 h MET 489 Cb 1.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 3k54 h MET 489 CO 1.27 0.06 0.23 0.07 1.06 0.00 0.00 176.91 179.60 3k54 h ARG 490 N 0.00 0.00 0.00 1.72 0.11 -1.96 -2.29 114.38 111.96 3k54 h ARG 490 Ca -0.00 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.97 3k54 h ARG 490 Cb 0.23 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.30 3k54 h ARG 490 CO 0.01 0.00 -0.50 0.45 0.10 0.00 0.00 179.97 180.02 3k54 h HIS 491 N 0.00 0.00 -6.55 4.08 3.86 -1.83 -3.47 115.15 111.25 3k54 h HIS 491 Ca 0.07 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.77 3k54 h HIS 491 Cb 0.54 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 3k54 h HIS 491 CO 0.00 0.50 -0.95 0.54 0.86 0.00 0.00 177.93 178.89 3k54 n ARG 492 N -3.69 -1.53 -2.00 2.45 1.74 -0.87 -4.82 116.66 107.95 3k54 n ARG 492 Ca -0.01 0.32 -0.40 0.00 -0.77 0.00 0.00 57.85 56.99 3k54 n ARG 492 Cb 0.56 -3.80 -0.00 0.00 -1.02 0.00 0.00 32.46 28.20 3k54 n ARG 492 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3k54 s PHE 493 N -3.70 2.77 0.48 -1.55 0.08 -1.26 -5.03 117.98 109.77 3k54 s PHE 493 Ca 0.31 1.36 -0.09 0.00 0.12 0.00 0.00 56.93 58.63 3k54 s PHE 493 Cb -0.13 -3.75 -0.05 0.00 -0.57 0.00 0.00 43.02 38.52 3k54 s PHE 493 CO 0.91 -2.29 0.83 -0.65 -0.10 0.00 0.00 175.22 173.93 3k54 s GLN 494 N -2.20 3.66 0.43 0.44 -0.21 -1.26 -4.98 119.66 115.54 3k54 s GLN 494 Ca 0.56 0.44 0.21 0.00 0.02 0.00 0.00 55.36 56.59 3k54 s GLN 494 Cb -0.40 -2.32 0.97 0.00 1.00 0.00 0.00 33.01 32.26 3k54 s GLN 494 CO 0.52 -0.21 1.87 1.79 -2.12 0.00 0.00 175.29 177.14 3k54 h THR 495 N 0.49 0.82 -0.70 -0.19 1.35 -1.96 -0.92 112.91 111.80 3k54 h THR 495 Ca -0.46 -1.10 -0.04 0.00 -0.55 0.00 0.00 66.41 64.26 3k54 h THR 495 Cb 1.19 1.67 -0.03 0.00 -1.73 0.00 0.00 68.15 69.25 3k54 h THR 495 CO 0.62 0.27 0.29 -0.61 -0.25 0.00 0.00 175.52 175.84 3k54 h GLN 496 N 0.00 1.02 -0.82 4.72 5.75 -1.98 -1.49 115.11 122.31 3k54 h GLN 496 Ca -0.00 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.33 3k54 h GLN 496 Cb 0.65 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.98 3k54 h GLN 496 CO 0.04 0.82 0.49 1.96 -2.65 0.00 0.00 178.83 179.48 3k54 h GLN 497 N 1.00 1.12 -0.50 1.69 4.20 -1.56 -1.68 115.11 119.39 3k54 h GLN 497 Ca 0.24 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 3k54 h GLN 497 Cb 0.17 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3k54 h GLN 497 CO -0.02 0.80 0.17 -0.07 -0.67 0.00 0.00 178.83 179.04 3k54 h LEU 498 N 1.13 0.72 -0.96 1.46 3.38 -1.11 -1.59 115.31 118.33 3k54 h LEU 498 Ca 0.29 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3k54 h LEU 498 Cb -0.03 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 3k54 h LEU 498 CO -0.05 0.72 0.62 0.25 0.09 0.00 0.00 178.44 180.07 3k54 h LEU 499 N 0.68 1.12 -0.82 1.67 5.85 -1.16 -2.43 115.31 120.22 3k54 h LEU 499 Ca 0.16 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 3k54 h LEU 499 Cb 0.25 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3k54 h LEU 499 CO -0.01 0.83 0.02 -0.08 -0.34 0.00 0.00 178.44 178.86 3k54 h GLU 500 N 1.31 0.90 -0.53 1.25 4.57 -0.95 -1.16 114.58 119.97 3k54 h GLU 500 Ca 0.35 -0.25 0.07 0.00 -1.18 0.00 0.00 59.36 58.35 3k54 h GLU 500 Cb -0.12 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.32 3k54 h GLU 500 CO -0.07 0.88 0.22 0.52 -1.18 0.00 0.00 179.01 179.38 3k54 h MET 501 N 0.84 0.40 -0.73 1.92 2.86 -0.86 -0.49 114.93 118.87 3k54 h MET 501 Ca 0.16 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.85 3k54 h MET 501 Cb 0.47 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.98 3k54 h MET 501 CO 0.02 0.27 0.41 0.00 1.06 0.00 0.00 176.91 178.67 3k54 h LYS 503 N 0.73 0.69 -0.15 0.00 3.64 -0.62 0.21 116.57 121.07 3k54 h LYS 503 Ca 0.34 -0.23 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 3k54 h LYS 503 Cb 0.25 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 3k54 h LYS 503 CO -0.21 0.80 -0.33 -0.44 -2.27 0.00 0.00 179.45 177.01 3k54 h ASP 504 N 0.50 -1.03 -0.65 4.20 3.45 -0.97 0.29 116.42 122.21 3k54 h ASP 504 Ca 0.10 0.15 -0.06 0.00 0.43 0.00 0.00 57.03 57.66 3k54 h ASP 504 Cb 0.52 0.44 -0.03 0.00 -0.56 0.00 0.00 39.33 39.70 3k54 h ASP 504 CO 0.03 -0.36 0.18 0.58 -1.57 0.00 0.00 179.24 178.09 3k54 h VAL 505 N -0.40 1.25 -0.75 -1.35 2.07 -1.26 -2.13 116.25 113.69 3k54 h VAL 505 Ca 0.10 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 3k54 h VAL 505 Cb 0.55 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3k54 h VAL 505 CO -0.37 0.34 0.42 0.00 0.02 0.00 0.00 177.57 177.99 3k54 h GLU 507 N 1.03 0.33 -0.69 0.00 5.08 -0.78 0.39 114.58 119.94 3k54 h GLU 507 Ca 0.26 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 3k54 h GLU 507 Cb 0.02 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 3k54 h GLU 507 CO -0.04 0.22 0.45 0.00 -1.00 0.00 0.00 179.01 178.64 3k54 h ALA 508 N 1.27 0.88 -0.12 3.43 0.00 -0.67 -1.99 119.26 122.07 3k54 h ALA 508 Ca 0.20 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 3k54 h ALA 508 Cb 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3k54 h ALA 508 CO -0.19 0.28 -0.49 0.52 0.00 0.00 0.00 179.25 179.37 3k54 h MET 509 N 0.91 0.30 -0.57 0.00 2.86 -0.48 -1.19 114.93 116.77 3k54 h MET 509 Ca 0.26 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 3k54 h MET 509 Cb -0.08 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3k54 h MET 509 CO -0.07 0.73 -0.01 1.49 1.06 0.00 0.00 176.91 180.11 3k54 h GLU 510 N 0.24 1.00 0.08 1.72 4.81 -0.03 0.96 114.58 123.37 3k54 h GLU 510 Ca 0.01 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3k54 h GLU 510 Cb 0.95 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 3k54 h GLU 510 CO 0.08 0.99 -0.08 -0.92 -0.73 0.00 0.00 179.01 178.35 3k54 h TYR 511 N 0.91 -0.20 -0.65 0.92 3.20 -1.27 0.54 116.97 120.43 3k54 h TYR 511 Ca 0.16 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 3k54 h TYR 511 Cb 0.54 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 3k54 h TYR 511 CO 0.04 -0.12 0.30 -0.07 -1.64 0.00 0.00 178.16 176.67 3k54 h LEU 512 N -0.18 0.85 -0.61 2.82 3.38 -0.97 -1.84 115.31 118.77 3k54 h LEU 512 Ca 0.00 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 57.92 3k54 h LEU 512 Cb 0.17 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 3k54 h LEU 512 CO -0.02 0.75 0.26 -0.08 0.09 0.00 0.00 178.44 179.44 3k54 h GLU 513 N 0.90 0.46 0.00 1.13 4.81 -0.66 -0.35 114.58 120.87 3k54 h GLU 513 Ca 0.22 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3k54 h GLU 513 Cb 0.13 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 3k54 h GLU 513 CO -0.03 0.30 -0.05 0.66 -0.73 0.00 0.00 179.01 179.17 3k54 h SER 514 N 0.47 0.00 -0.48 1.04 4.64 -0.20 -0.31 113.55 118.70 3k54 h SER 514 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3k54 h SER 514 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3k54 h SER 514 CO -0.26 0.05 0.00 0.29 -0.87 0.00 0.00 176.83 176.03 3k54 n LYS 515 N -3.74 2.21 -3.45 4.77 4.76 -0.25 -4.95 118.16 117.51 3k54 n LYS 515 Ca -0.03 -1.87 -0.25 0.00 -2.87 0.00 0.00 58.31 53.30 3k54 n LYS 515 Cb 0.14 -1.42 0.01 0.00 -1.84 0.00 0.00 35.03 31.92 3k54 n LYS 515 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3k54 n GLN 516 N 1.02 -3.94 -4.37 1.97 6.02 -0.13 -4.97 117.38 112.98 3k54 n GLN 516 Ca 0.18 0.55 -0.34 0.00 -0.01 0.00 0.00 57.00 57.38 3k54 n GLN 516 Cb 0.45 -5.31 -0.12 0.00 1.02 0.00 0.00 30.24 26.28 3k54 n GLN 516 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3k54 s PHE 517 N -3.04 3.06 -0.23 1.08 5.36 -0.57 -5.02 117.98 118.62 3k54 s PHE 517 Ca 0.45 -0.19 -0.09 0.00 -0.96 0.00 0.00 56.93 56.14 3k54 s PHE 517 Cb -0.23 -1.94 -0.04 0.00 -0.34 0.00 0.00 43.02 40.46 3k54 s PHE 517 CO 0.55 0.05 0.11 -0.51 -1.46 0.00 0.00 175.22 173.97 3k54 s LEU 518 N 0.18 3.86 0.02 6.12 1.43 -1.26 -4.28 118.68 124.76 3k54 s LEU 518 Ca -0.01 0.02 -0.22 0.00 -1.03 0.00 0.00 54.13 52.89 3k54 s LEU 518 Cb -0.14 -2.02 -0.16 0.00 0.03 0.00 0.00 46.19 43.90 3k54 s LEU 518 CO 0.02 0.07 1.33 -0.74 0.23 0.00 0.00 176.35 177.26 3k54 h HIS 519 N 7.50 0.27 0.00 0.29 -0.00 -1.96 -3.47 115.15 117.77 3k54 h HIS 519 Ca -0.37 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 3k54 h HIS 519 Cb 1.17 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.52 3k54 h HIS 519 CO 0.65 0.64 0.00 0.54 -0.00 0.00 0.00 177.93 179.76 3k54 n ARG 520 N -4.67 0.00 -2.72 5.26 1.74 -1.26 -4.75 116.66 110.26 3k54 n ARG 520 Ca -0.07 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.95 3k54 n ARG 520 Cb 0.31 -2.35 0.05 0.00 -1.02 0.00 0.00 32.46 29.45 3k54 n ARG 520 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3k54 n ASP 521 N 0.00 1.11 -4.72 0.55 2.03 -1.26 -4.99 116.55 109.27 3k54 n ASP 521 Ca 0.00 -2.47 -0.42 0.00 0.52 0.00 0.00 54.79 52.42 3k54 n ASP 521 Cb 0.00 -0.35 -0.03 0.00 -0.72 0.00 0.00 41.12 40.02 3k54 n ASP 521 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3k54 s LEU 522 N -3.36 4.40 -0.20 -2.67 2.96 -1.26 -4.78 118.68 113.77 3k54 s LEU 522 Ca 0.26 1.94 -0.36 0.00 -0.22 0.00 0.00 54.13 55.76 3k54 s LEU 522 Cb 0.41 -3.58 0.14 0.00 0.50 0.00 0.00 46.19 43.66 3k54 s LEU 522 CO 0.00 -0.35 1.24 0.00 -1.32 0.00 0.00 176.35 175.91 3k54 s ALA 523 N 0.72 -2.10 0.55 5.97 0.00 -1.26 -4.77 121.76 120.87 3k54 s ALA 523 Ca 0.55 1.63 0.22 0.00 0.00 0.00 0.00 51.96 54.36 3k54 s ALA 523 Cb -0.27 -0.15 1.46 0.00 0.00 0.00 0.00 23.12 24.16 3k54 s ALA 523 CO 0.30 -0.60 2.13 0.00 0.00 0.00 0.00 175.76 177.60 3k54 h ALA 524 N 2.00 1.98 0.00 0.00 0.00 -1.92 -0.94 119.26 120.38 3k54 h ALA 524 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3k54 h ALA 524 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3k54 h ALA 524 CO 0.22 -0.18 0.00 0.07 0.00 0.00 0.00 179.25 179.37 3k54 h ARG 525 N 0.00 0.00 -0.24 0.00 0.11 -1.94 -2.43 114.38 109.88 3k54 h ARG 525 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 3k54 h ARG 525 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.36 3k54 h ARG 525 CO -0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 3k54 n ASN 526 N -2.54 3.71 -4.51 0.08 3.02 -0.36 -4.82 115.26 109.84 3k54 n ASN 526 Ca 0.02 -3.00 -0.26 0.00 -0.03 0.00 0.00 54.58 51.31 3k54 n ASN 526 Cb 0.26 -0.52 -0.10 0.00 -0.61 0.00 0.00 39.78 38.81 3k54 n ASN 526 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k54 s LEU 528 N -2.96 2.39 -0.07 0.00 1.43 -0.23 -1.12 118.68 118.11 3k54 s LEU 528 Ca 0.25 -1.16 0.02 0.00 -1.03 0.00 0.00 54.13 52.21 3k54 s LEU 528 Cb -0.08 -0.47 0.01 0.00 0.03 0.00 0.00 46.19 45.68 3k54 s LEU 528 CO 0.14 -0.39 -0.12 -0.69 0.23 0.00 0.00 176.35 175.51 3k54 s VAL 529 N -3.19 1.16 0.11 -1.59 1.01 -0.13 -0.53 120.40 117.23 3k54 s VAL 529 Ca 0.27 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 3k54 s VAL 529 Cb 0.04 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.38 3k54 s VAL 529 CO 0.09 0.36 0.15 -0.46 0.00 0.00 0.00 175.10 175.24 3k54 n ASN 530 N 3.83 0.14 0.23 3.32 0.23 -0.56 -0.62 115.26 121.83 3k54 n ASN 530 Ca -0.23 -1.13 0.10 0.00 -0.53 0.00 0.00 54.58 52.79 3k54 n ASN 530 Cb 0.52 -0.10 0.56 0.00 -2.08 0.00 0.00 39.78 38.68 3k54 n ASN 530 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 3k54 h ASP 531 N -0.12 0.00 -0.12 0.53 2.03 -1.90 -2.07 116.42 114.77 3k54 h ASP 531 Ca -0.05 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 3k54 h ASP 531 Cb 0.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 3k54 h ASP 531 CO 0.05 0.21 0.00 0.00 -1.03 0.00 0.00 179.24 178.46 3k54 n GLN 532 N -3.61 1.64 -1.01 4.15 1.13 -1.26 -4.92 117.38 113.50 3k54 n GLN 532 Ca -0.01 -0.95 -0.00 0.00 -1.94 0.00 0.00 57.00 54.10 3k54 n GLN 532 Cb 0.34 -1.41 -0.00 0.00 0.11 0.00 0.00 30.24 29.29 3k54 n GLN 532 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3k54 n GLY 533 N 1.11 0.44 3.74 1.08 0.00 -0.78 -5.03 105.19 105.75 3k54 n GLY 533 Ca 0.17 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 3k54 n GLY 533 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k54 s VAL 534 N -2.00 4.84 -0.07 1.61 1.01 -1.26 -4.81 120.40 119.72 3k54 s VAL 534 Ca 0.00 1.52 -0.16 0.00 0.00 0.00 0.00 61.98 63.33 3k54 s VAL 534 Cb 0.00 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 3k54 s VAL 534 CO 0.00 0.35 0.43 -0.69 0.00 0.00 0.00 175.10 175.19 3k54 s VAL 535 N 0.13 5.12 0.02 2.92 1.01 -1.26 -1.50 120.40 126.84 3k54 s VAL 535 Ca 0.37 0.87 0.05 0.00 0.00 0.00 0.00 61.98 63.27 3k54 s VAL 535 Cb -0.19 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 3k54 s VAL 535 CO 0.21 0.45 -0.15 -0.54 0.00 0.00 0.00 175.10 175.06 3k54 s LYS 536 N -0.17 1.07 0.17 2.72 1.02 0.31 -4.46 119.74 120.40 3k54 s LYS 536 Ca 0.24 -0.71 -0.30 0.00 0.02 0.00 0.00 55.97 55.22 3k54 s LYS 536 Cb -0.16 -1.08 -0.08 0.00 -0.52 0.00 0.00 37.83 36.00 3k54 s LYS 536 CO 0.11 0.28 1.13 0.08 -0.92 0.00 0.00 175.35 176.03 3k54 s VAL 537 N -0.68 3.79 0.38 3.17 1.01 -0.15 -1.07 120.40 126.84 3k54 s VAL 537 Ca 0.04 1.52 0.05 0.00 0.00 0.00 0.00 61.98 63.58 3k54 s VAL 537 Cb -0.07 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 3k54 s VAL 537 CO 0.01 0.25 0.17 -0.24 0.00 0.00 0.00 175.10 175.28 3k54 n SER 538 N 2.48 0.80 -2.61 3.32 2.88 -0.61 -1.58 113.62 118.31 3k54 n SER 538 Ca 0.03 -3.09 -0.13 0.00 -1.33 0.00 0.00 58.87 54.36 3k54 n SER 538 Cb 0.46 1.12 -0.00 0.00 -0.75 0.00 0.00 64.21 65.04 3k54 n SER 538 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3k54 n ASP 539 N -1.59 -3.61 -0.62 -3.46 9.92 -1.26 -4.78 116.55 111.16 3k54 n ASP 539 Ca -0.03 0.12 0.13 0.00 -0.53 0.00 0.00 54.79 54.49 3k54 n ASP 539 Cb 0.59 -3.07 0.37 0.00 -0.64 0.00 0.00 41.12 38.37 3k54 n ASP 539 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 3k54 n PHE 540 N -3.40 0.00 1.23 1.24 1.16 -1.26 -4.94 117.46 111.48 3k54 n PHE 540 Ca -0.11 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 55.61 3k54 n PHE 540 Cb 0.59 -0.01 0.60 0.00 -1.61 0.00 0.00 39.48 39.06 3k54 n PHE 540 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3k54 n GLY 541 N 1.25 -1.25 3.61 4.97 0.00 -1.26 -4.97 105.19 107.54 3k54 n GLY 541 Ca 0.17 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3k54 n GLY 541 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k54 s PHE 559 N -2.74 3.10 -1.38 1.61 5.36 -1.26 -4.36 117.98 118.31 3k54 s PHE 559 Ca 0.22 0.02 -0.12 0.00 -0.96 0.00 0.00 56.93 56.08 3k54 s PHE 559 Cb 0.19 -1.86 0.09 0.00 -0.34 0.00 0.00 43.02 41.11 3k54 s PHE 559 CO 0.52 0.27 2.09 -0.35 -1.46 0.00 0.00 175.22 176.29 3k54 n PRO 560 N 2.69 3.21 -0.24 10.12 -0.04 -1.26 -4.78 135.00 144.69 3k54 n PRO 560 Ca -0.18 -3.00 0.04 0.00 -0.04 0.00 0.00 63.50 60.32 3k54 n PRO 560 Cb 0.53 -3.12 0.15 0.00 -0.04 0.00 0.00 33.50 31.02 3k54 n PRO 560 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3k54 h VAL 561 N 3.86 0.41 0.00 0.52 2.07 -1.97 -0.38 116.25 120.77 3k54 h VAL 561 Ca 0.50 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.97 3k54 h VAL 561 Cb 0.63 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3k54 h VAL 561 CO 1.77 0.02 0.00 0.54 0.02 0.00 0.00 177.57 179.93 3k54 n ARG 562 N -5.29 0.03 -0.13 1.57 1.74 -1.26 -2.10 116.66 111.22 3k54 n ARG 562 Ca 0.13 0.23 0.07 0.00 -0.77 0.00 0.00 57.85 57.50 3k54 n ARG 562 Cb 0.44 -1.50 0.13 0.00 -1.02 0.00 0.00 32.46 30.52 3k54 n ARG 562 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3k54 n TRP 563 N -1.47 0.34 -4.26 -1.55 8.01 -0.17 -4.96 117.44 113.38 3k54 n TRP 563 Ca 0.04 -0.31 -0.35 0.00 -1.31 0.00 0.00 57.50 55.57 3k54 n TRP 563 Cb 0.17 -0.01 -0.09 0.00 -2.01 0.00 0.00 31.31 29.36 3k54 n TRP 563 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 3k54 s SER 564 N -1.03 5.37 0.97 -0.99 0.01 -0.89 -3.60 113.70 113.53 3k54 s SER 564 Ca 0.23 0.13 -0.12 0.00 1.31 0.00 0.00 55.95 57.49 3k54 s SER 564 Cb 0.13 -1.66 0.17 0.00 0.21 0.00 0.00 66.02 64.87 3k54 s SER 564 CO 0.18 0.32 1.11 -2.16 0.41 0.00 0.00 173.24 173.09 3k54 s PRO 565 N -0.51 0.66 0.30 12.44 0.04 -1.26 -4.80 135.00 141.87 3k54 s PRO 565 Ca 0.09 0.41 -0.01 0.00 0.04 0.00 0.00 61.00 61.53 3k54 s PRO 565 Cb -0.12 -1.77 0.45 0.00 0.04 0.00 0.00 34.50 33.10 3k54 s PRO 565 CO 0.02 -2.55 1.89 -1.35 0.04 0.00 0.00 177.00 175.05 3k54 h PRO 566 N -1.76 0.90 0.00 0.56 0.11 -1.91 -1.82 132.00 128.07 3k54 h PRO 566 Ca -0.53 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.45 3k54 h PRO 566 Cb 1.33 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3k54 h PRO 566 CO 0.59 0.71 0.00 1.05 -0.21 0.00 0.00 178.00 180.14 3k54 h GLU 567 N 0.89 0.00 0.00 1.05 9.09 -1.91 -1.13 114.58 122.58 3k54 h GLU 567 Ca 0.22 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.49 3k54 h GLU 567 Cb 0.12 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.20 3k54 h GLU 567 CO -0.03 0.00 -0.78 0.28 0.05 0.00 0.00 179.01 178.54 3k54 h VAL 568 N 0.00 1.14 -0.99 -1.06 2.07 -1.51 -1.67 116.25 114.23 3k54 h VAL 568 Ca 0.00 -2.15 0.12 0.00 0.82 0.00 0.00 66.70 65.48 3k54 h VAL 568 Cb 0.34 2.46 -0.08 0.00 -1.52 0.00 0.00 31.29 32.49 3k54 h VAL 568 CO 0.00 0.39 0.62 -0.07 0.02 0.00 0.00 177.57 178.53 3k54 h LEU 569 N -1.00 0.90 0.10 2.57 3.38 -1.28 -0.30 115.31 119.68 3k54 h LEU 569 Ca -0.21 0.04 -0.36 0.00 0.09 0.00 0.00 57.88 57.45 3k54 h LEU 569 Cb 1.14 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3k54 h LEU 569 CO -0.13 0.48 -1.97 0.23 0.09 0.00 0.00 178.44 177.14 3k54 n MET 570 N -4.60 0.73 0.00 1.13 2.81 -0.44 -4.66 117.12 112.09 3k54 n MET 570 Ca 0.18 0.29 0.00 0.00 -1.81 0.00 0.00 57.70 56.36 3k54 n MET 570 Cb 0.36 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 3k54 n MET 570 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3k54 n TYR 571 N -3.58 0.00 -3.27 2.03 4.01 -0.70 -5.01 117.16 110.64 3k54 n TYR 571 Ca -0.34 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.18 3k54 n TYR 571 Cb 1.00 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 40.09 3k54 n TYR 571 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3k54 n SER 572 N -0.06 -6.20 -4.40 7.72 7.64 -0.13 -4.94 113.62 113.25 3k54 n SER 572 Ca 0.00 -0.40 -0.45 0.00 1.01 0.00 0.00 58.87 59.03 3k54 n SER 572 Cb 0.07 -4.92 -0.02 0.00 -1.01 0.00 0.00 64.21 58.33 3k54 n SER 572 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3k54 s LYS 573 N -5.97 3.64 0.31 1.43 2.47 -0.79 -4.94 119.74 115.89 3k54 s LYS 573 Ca 0.43 -2.13 -0.28 0.00 -1.56 0.00 0.00 55.97 52.43 3k54 s LYS 573 Cb -0.19 -4.70 -0.09 0.00 -1.46 0.00 0.00 37.83 31.38 3k54 s LYS 573 CO 0.53 -1.55 1.02 -0.06 0.16 0.00 0.00 175.35 175.45 3k54 s PHE 574 N 1.46 3.63 0.20 4.03 0.40 -1.26 -4.22 117.98 122.22 3k54 s PHE 574 Ca 0.27 1.76 -0.23 0.00 -0.60 0.00 0.00 56.93 58.13 3k54 s PHE 574 Cb -0.07 -3.10 0.06 0.00 0.51 0.00 0.00 43.02 40.42 3k54 s PHE 574 CO -0.09 -0.17 0.95 -1.54 0.70 0.00 0.00 175.22 175.07 3k54 s SER 575 N -1.26 -0.10 0.50 1.36 1.04 -1.26 -4.96 113.70 109.02 3k54 s SER 575 Ca 0.48 -0.60 0.24 0.00 0.48 0.00 0.00 55.95 56.54 3k54 s SER 575 Cb -0.26 0.55 1.30 0.00 0.10 0.00 0.00 66.02 67.72 3k54 s SER 575 CO 0.32 -1.06 1.94 0.77 0.98 0.00 0.00 173.24 176.19 3k54 h SER 576 N 2.00 0.14 1.21 7.02 4.64 -1.98 -0.34 113.55 126.24 3k54 h SER 576 Ca -0.26 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3k54 h SER 576 Cb 1.23 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3k54 h SER 576 CO 0.31 0.07 0.00 0.11 -0.87 0.00 0.00 176.83 176.44 3k54 h LYS 577 N 0.14 0.00 0.00 4.77 1.79 -1.93 -2.15 116.57 119.19 3k54 h LYS 577 Ca 0.34 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.62 3k54 h LYS 577 Cb 1.15 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.77 3k54 h LYS 577 CO -0.05 0.00 -0.94 0.66 -1.08 0.00 0.00 179.45 178.04 3k54 h SER 578 N 0.00 0.00 0.43 0.86 4.64 -1.40 -2.52 113.55 115.56 3k54 h SER 578 Ca 0.00 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3k54 h SER 578 Cb 0.61 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 3k54 h SER 578 CO 0.00 0.94 -0.51 0.44 -0.87 0.00 0.00 176.83 176.83 3k54 h ASP 579 N 0.00 0.10 0.12 4.97 3.32 -1.27 -2.71 116.42 120.96 3k54 h ASP 579 Ca -0.01 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3k54 h ASP 579 Cb 1.66 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.18 3k54 h ASP 579 CO 0.12 0.60 -0.06 0.40 -1.72 0.00 0.00 179.24 178.58 3k54 h ILE 580 N 0.07 0.92 -0.52 0.35 1.08 -1.37 0.15 117.51 118.19 3k54 h ILE 580 Ca -0.00 -0.18 0.10 0.00 -0.39 0.00 0.00 64.86 64.40 3k54 h ILE 580 Cb 0.93 1.04 -0.11 0.00 -3.07 0.00 0.00 36.82 35.61 3k54 h ILE 580 CO 0.07 0.04 -0.24 -0.25 -0.69 0.00 0.00 178.15 177.08 3k54 h TRP 581 N -0.25 -0.62 -0.57 1.37 2.91 -1.45 -1.16 115.95 116.17 3k54 h TRP 581 Ca -0.02 0.06 -0.02 0.00 1.13 0.00 0.00 58.89 60.04 3k54 h TRP 581 Cb 0.20 0.35 -0.03 0.00 -0.51 0.00 0.00 29.16 29.17 3k54 h TRP 581 CO -0.04 -0.32 0.26 0.00 -1.03 0.00 0.00 178.44 177.30 3k54 h ALA 582 N 1.20 1.37 -0.65 2.65 0.00 -1.25 -1.94 119.26 120.65 3k54 h ALA 582 Ca 0.24 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3k54 h ALA 582 Cb 0.49 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3k54 h ALA 582 CO -0.60 0.48 0.06 0.35 0.00 0.00 0.00 179.25 179.54 3k54 h PHE 583 N 0.81 1.19 -0.57 0.00 3.57 -0.34 0.28 116.94 121.88 3k54 h PHE 583 Ca 0.20 -0.18 0.05 0.00 3.53 0.00 0.00 57.97 61.57 3k54 h PHE 583 Cb 0.12 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 38.49 3k54 h PHE 583 CO 0.01 1.01 0.30 0.78 -2.23 0.00 0.00 178.31 178.18 3k54 h GLY 584 N 1.02 0.82 1.35 2.40 0.00 -0.62 0.25 103.07 108.30 3k54 h GLY 584 Ca 0.19 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 3k54 h GLY 584 CO 0.02 0.12 -0.08 -2.08 0.00 0.00 0.00 176.54 174.52 3k54 h VAL 585 N 0.56 1.25 -0.48 4.60 2.07 -0.62 -1.82 116.25 121.82 3k54 h VAL 585 Ca 0.26 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 3k54 h VAL 585 Cb 0.17 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3k54 h VAL 585 CO -0.18 0.38 0.24 0.25 0.02 0.00 0.00 177.57 178.29 3k54 h LEU 586 N 0.71 0.61 -0.80 2.57 6.46 0.43 0.23 115.31 125.51 3k54 h LEU 586 Ca 0.12 -0.11 0.12 0.00 -0.12 0.00 0.00 57.88 57.89 3k54 h LEU 586 Cb 0.55 -0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 40.24 3k54 h LEU 586 CO 0.03 0.55 0.42 0.24 -0.62 0.00 0.00 178.44 179.06 3k54 h MET 587 N 0.63 0.64 -0.72 1.25 2.86 -0.31 -0.33 114.93 118.94 3k54 h MET 587 Ca 0.17 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 3k54 h MET 587 Cb 0.09 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.56 3k54 h MET 587 CO -0.02 0.42 0.44 2.35 1.06 0.00 0.00 176.91 181.16 3k54 h TRP 588 N 0.66 0.83 -0.78 -0.22 7.01 -0.69 -0.84 115.95 121.91 3k54 h TRP 588 Ca 0.41 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.41 3k54 h TRP 588 Cb 0.49 -0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 27.25 3k54 h TRP 588 CO -0.09 0.46 0.38 0.93 -2.79 0.00 0.00 178.44 177.33 3k54 h GLU 589 N 0.85 1.12 0.22 2.65 5.08 -0.15 -0.31 114.58 124.04 3k54 h GLU 589 Ca 0.30 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3k54 h GLU 589 Cb 0.06 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.11 3k54 h GLU 589 CO -0.13 0.85 -0.11 0.82 -1.00 0.00 0.00 179.01 179.45 3k54 h ILE 590 N 1.11 0.86 0.00 3.13 2.04 -0.55 0.30 117.51 124.40 3k54 h ILE 590 Ca 0.27 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3k54 h ILE 590 Cb 0.10 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 3k54 h ILE 590 CO -0.04 0.13 0.00 1.88 0.00 0.00 0.00 178.15 180.13 3k54 h TYR 591 N -0.61 0.00 -0.63 1.37 -1.99 -0.95 -0.64 116.97 113.52 3k54 h TYR 591 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3k54 h TYR 591 Cb 0.44 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.17 3k54 h TYR 591 CO 0.02 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.05 3k54 n SER 592 N -2.71 3.59 -3.59 3.88 3.41 -0.14 -4.22 113.62 113.83 3k54 n SER 592 Ca 0.01 -2.08 -0.25 0.00 -0.26 0.00 0.00 58.87 56.29 3k54 n SER 592 Cb 0.24 -0.45 0.07 0.00 -0.26 0.00 0.00 64.21 63.81 3k54 n SER 592 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3k54 n LEU 593 N 1.28 -3.17 0.00 1.04 4.77 -0.25 -3.33 117.00 117.34 3k54 n LEU 593 Ca 0.22 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 3k54 n LEU 593 Cb 0.59 -2.94 0.00 0.00 -2.33 0.00 0.00 43.42 38.74 3k54 n LEU 593 CO 0.16 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 3k54 n GLY 594 N -1.91 0.76 3.74 -0.72 0.00 0.06 -3.85 105.19 103.28 3k54 n GLY 594 Ca 0.00 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 3k54 n GLY 594 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k54 s LYS 595 N -0.74 2.62 0.07 1.61 2.20 -1.21 -4.91 119.74 119.38 3k54 s LYS 595 Ca 0.00 1.82 -0.31 0.00 -0.36 0.00 0.00 55.97 57.13 3k54 s LYS 595 Cb 0.00 -1.88 -0.06 0.00 -1.51 0.00 0.00 37.83 34.37 3k54 s LYS 595 CO 0.00 -1.48 1.25 1.41 -0.36 0.00 0.00 175.35 176.17 3k54 s MET 596 N -3.57 4.40 0.34 4.03 -2.45 -1.26 -4.79 119.30 116.01 3k54 s MET 596 Ca 0.77 1.85 -0.29 0.00 -1.25 0.00 0.00 55.69 56.77 3k54 s MET 596 Cb -0.31 -3.33 -0.11 0.00 1.25 0.00 0.00 34.83 32.34 3k54 s MET 596 CO 0.39 -0.31 1.41 -2.14 1.05 0.00 0.00 175.02 175.41 3k54 s PRO 597 N 1.11 4.23 -1.34 4.11 0.02 -1.26 -2.14 135.00 139.74 3k54 s PRO 597 Ca 0.60 2.39 -0.06 0.00 0.02 0.00 0.00 61.00 63.95 3k54 s PRO 597 Cb -0.31 -3.03 0.02 0.00 0.02 0.00 0.00 34.50 31.20 3k54 s PRO 597 CO 0.29 -0.38 1.03 0.66 -0.33 0.00 0.00 177.00 178.28 3k54 n TYR 598 N 0.86 -2.46 -0.29 6.54 4.01 -1.26 -4.86 117.16 119.70 3k54 n TYR 598 Ca 0.01 0.95 0.22 0.00 -0.16 0.00 0.00 57.90 58.93 3k54 n TYR 598 Cb 0.40 -4.78 0.53 0.00 -0.31 0.00 0.00 39.34 35.18 3k54 n TYR 598 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3k54 h GLU 599 N -2.26 0.36 -0.12 -0.72 4.81 -1.84 0.06 114.58 114.87 3k54 h GLU 599 Ca -0.58 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.63 3k54 h GLU 599 Cb 1.36 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3k54 h GLU 599 CO 0.56 0.24 0.00 0.54 -0.73 0.00 0.00 179.01 179.62 3k54 n ARG 600 N -4.54 1.60 -4.39 1.92 1.74 -1.26 -4.89 116.66 106.85 3k54 n ARG 600 Ca 0.22 -0.90 -0.30 0.00 -0.77 0.00 0.00 57.85 56.11 3k54 n ARG 600 Cb 0.82 -1.39 -0.12 0.00 -1.02 0.00 0.00 32.46 30.75 3k54 n ARG 600 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3k54 s PHE 601 N -1.85 2.52 0.96 -1.55 0.08 0.01 -5.12 117.98 113.04 3k54 s PHE 601 Ca 0.33 -0.27 -0.12 0.00 0.12 0.00 0.00 56.93 56.98 3k54 s PHE 601 Cb 0.17 -1.36 0.17 0.00 -0.57 0.00 0.00 43.02 41.43 3k54 s PHE 601 CO 0.27 0.35 1.10 0.95 -0.10 0.00 0.00 175.22 177.79 3k54 s THR 602 N -1.09 2.20 0.19 0.64 -4.23 -1.26 -4.84 115.64 107.25 3k54 s THR 602 Ca 0.17 0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.63 3k54 s THR 602 Cb -0.11 -2.60 0.10 0.00 1.34 0.00 0.00 72.50 71.24 3k54 s THR 602 CO 0.09 -0.09 1.76 0.78 -0.54 0.00 0.00 174.62 176.62 3k54 h ASN 603 N -1.75 0.26 -0.15 3.99 2.35 -1.99 -0.76 115.58 117.52 3k54 h ASN 603 Ca -0.53 0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.30 3k54 h ASN 603 Cb 1.32 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.68 3k54 h ASN 603 CO 0.58 0.18 -0.02 0.28 -1.65 0.00 0.00 177.43 176.79 3k54 h SER 604 N 0.42 -0.11 -0.36 5.81 0.02 -2.00 -1.92 113.55 115.42 3k54 h SER 604 Ca 0.25 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.27 3k54 h SER 604 Cb 0.25 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 3k54 h SER 604 CO -0.23 -0.03 0.18 -0.33 -1.14 0.00 0.00 176.83 175.27 3k54 h GLU 605 N 0.02 0.35 -0.40 3.45 5.08 -1.92 -1.54 114.58 119.62 3k54 h GLU 605 Ca 0.07 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.49 3k54 h GLU 605 Cb 0.10 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.19 3k54 h GLU 605 CO -0.14 0.23 -0.10 1.15 -1.00 0.00 0.00 179.01 179.15 3k54 h THR 606 N 0.36 0.59 -0.55 1.13 2.02 -1.02 0.16 112.91 115.61 3k54 h THR 606 Ca 0.15 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 3k54 h THR 606 Cb 0.07 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 3k54 h THR 606 CO -0.11 0.00 0.32 0.00 0.37 0.00 0.00 175.52 176.10 3k54 h ALA 607 N 1.40 0.70 0.18 6.16 0.00 -1.15 0.27 119.26 126.82 3k54 h ALA 607 Ca 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3k54 h ALA 607 Cb 0.30 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3k54 h ALA 607 CO -0.42 0.19 -0.09 0.93 0.00 0.00 0.00 179.25 179.87 3k54 h GLU 608 N 0.74 -0.24 -0.42 0.00 5.08 -1.03 -2.15 114.58 116.57 3k54 h GLU 608 Ca 0.20 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 3k54 h GLU 608 Cb 0.00 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3k54 h GLU 608 CO -0.04 -0.04 0.00 0.45 -1.00 0.00 0.00 179.01 178.38 3k54 h HIS 609 N -0.39 0.70 -0.14 4.33 3.86 -0.35 -2.18 115.15 120.97 3k54 h HIS 609 Ca -0.03 -0.08 -0.10 0.00 -1.16 0.00 0.00 60.37 59.00 3k54 h HIS 609 Cb 0.30 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 3k54 h HIS 609 CO -0.02 0.67 -0.36 0.82 0.86 0.00 0.00 177.93 179.90 3k54 h ILE 610 N 0.63 1.29 -0.16 2.45 1.08 -0.46 -2.55 117.51 119.79 3k54 h ILE 610 Ca 0.13 -1.40 -0.12 0.00 -0.39 0.00 0.00 64.86 63.07 3k54 h ILE 610 Cb 0.39 1.58 -0.01 0.00 -3.07 0.00 0.00 36.82 35.71 3k54 h ILE 610 CO 0.01 0.42 -0.44 0.00 -0.69 0.00 0.00 178.15 177.46 3k54 h ALA 611 N 1.38 0.96 0.00 1.87 0.00 -0.79 -1.81 119.26 120.87 3k54 h ALA 611 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3k54 h ALA 611 Cb 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3k54 h ALA 611 CO 0.06 0.63 0.00 1.04 0.00 0.00 0.00 179.25 180.98 3k54 n GLN 612 N -4.00 0.55 -0.35 0.00 6.02 -0.89 -4.92 117.38 113.78 3k54 n GLN 612 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3k54 n GLN 612 Cb 0.51 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.36 3k54 n GLN 612 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k54 n GLY 613 N 0.08 0.80 3.86 1.08 0.00 -0.68 -5.08 105.19 105.25 3k54 n GLY 613 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3k54 n GLY 613 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k54 s LEU 614 N 0.00 4.15 0.24 0.99 1.43 -0.97 -5.02 118.68 119.51 3k54 s LEU 614 Ca 0.00 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.20 3k54 s LEU 614 Cb 0.00 -3.80 -0.05 0.00 0.03 0.00 0.00 46.19 42.37 3k54 s LEU 614 CO 0.00 -0.11 0.10 -0.13 0.23 0.00 0.00 176.35 176.44 3k54 s ARG 615 N -2.78 1.36 0.26 1.70 1.81 -1.26 -4.34 118.95 115.71 3k54 s ARG 615 Ca 0.49 -1.73 -0.29 0.00 -1.72 0.00 0.00 55.73 52.48 3k54 s ARG 615 Cb -0.11 -0.17 -0.10 0.00 -0.45 0.00 0.00 34.95 34.12 3k54 s ARG 615 CO 0.19 -0.30 1.29 -0.51 -0.68 0.00 0.00 175.30 175.29 3k54 s LEU 616 N -3.28 4.44 0.83 2.53 1.43 -1.26 -5.00 118.68 118.37 3k54 s LEU 616 Ca 0.37 2.51 -0.11 0.00 -1.03 0.00 0.00 54.13 55.88 3k54 s LEU 616 Cb 0.08 -3.63 0.09 0.00 0.03 0.00 0.00 46.19 42.76 3k54 s LEU 616 CO 0.13 -0.49 1.09 -0.72 0.23 0.00 0.00 176.35 176.59 3k54 s TYR 617 N -0.53 2.38 -0.08 0.29 -0.85 -1.26 -4.95 117.35 112.34 3k54 s TYR 617 Ca 0.52 1.47 -0.30 0.00 -0.52 0.00 0.00 57.07 58.25 3k54 s TYR 617 Cb -0.38 -3.11 -0.03 0.00 0.38 0.00 0.00 41.96 38.82 3k54 s TYR 617 CO 0.44 -2.12 1.33 0.50 -1.52 0.00 0.00 175.55 174.18 3k54 s ARG 618 N -4.88 4.27 0.42 -3.49 3.52 -1.26 -4.97 118.95 112.55 3k54 s ARG 618 Ca 0.63 1.80 -0.26 0.00 -0.13 0.00 0.00 55.73 57.76 3k54 s ARG 618 Cb -0.18 -3.70 -0.09 0.00 -1.56 0.00 0.00 34.95 29.42 3k54 s ARG 618 CO 0.57 -0.63 1.43 -2.14 -0.81 0.00 0.00 175.30 173.72 3k54 s PRO 619 N 2.99 3.88 0.31 5.12 0.02 -1.26 -4.91 135.00 141.16 3k54 s PRO 619 Ca 0.60 2.44 0.07 0.00 0.02 0.00 0.00 61.00 64.12 3k54 s PRO 619 Cb -0.26 -2.79 0.88 0.00 0.02 0.00 0.00 34.50 32.35 3k54 s PRO 619 CO 0.21 -0.67 1.62 0.45 -0.33 0.00 0.00 177.00 178.28 3k54 h HIS 620 N 2.63 0.39 0.00 6.54 3.86 -1.94 -0.56 115.15 126.08 3k54 h HIS 620 Ca -0.51 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 3k54 h HIS 620 Cb 1.25 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.71 3k54 h HIS 620 CO 0.52 -0.32 0.00 1.28 0.86 0.00 0.00 177.93 180.27 3k54 n LEU 621 N -5.28 0.34 -4.69 2.43 4.77 -1.26 -4.75 117.00 108.55 3k54 n LEU 621 Ca 0.26 0.54 -0.39 0.00 -0.03 0.00 0.00 56.01 56.39 3k54 n LEU 621 Cb 0.85 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 3k54 n LEU 621 CO 0.02 -0.16 0.34 0.00 -1.33 0.00 0.00 177.39 176.26 3k54 s ALA 622 N -3.07 3.45 0.90 -1.18 0.00 -0.22 -4.96 121.76 116.69 3k54 s ALA 622 Ca 0.11 -0.11 -0.11 0.00 0.00 0.00 0.00 51.96 51.85 3k54 s ALA 622 Cb 0.14 -2.89 0.13 0.00 0.00 0.00 0.00 23.12 20.50 3k54 s ALA 622 CO 0.50 -0.26 1.09 -1.54 0.00 0.00 0.00 175.76 175.54 3k54 s SER 623 N 0.92 3.43 0.36 0.00 1.04 -1.26 -4.75 113.70 113.44 3k54 s SER 623 Ca 0.31 1.60 0.05 0.00 0.48 0.00 0.00 55.95 58.39 3k54 s SER 623 Cb -0.16 -2.26 0.71 0.00 0.10 0.00 0.00 66.02 64.40 3k54 s SER 623 CO 0.13 -2.68 1.98 -0.33 0.98 0.00 0.00 173.24 173.31 3k54 h GLU 624 N -1.58 0.76 -0.65 4.02 4.39 -1.97 0.82 114.58 120.38 3k54 h GLU 624 Ca -0.49 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.14 3k54 h GLU 624 Cb 1.28 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.73 3k54 h GLU 624 CO 0.53 0.51 0.30 0.87 -1.16 0.00 0.00 179.01 180.05 3k54 h LYS 625 N 0.79 0.94 -0.36 2.33 1.57 -2.00 -1.60 116.57 118.24 3k54 h LYS 625 Ca 0.29 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 3k54 h LYS 625 Cb 0.14 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3k54 h LYS 625 CO -0.09 0.76 -0.08 0.28 -0.57 0.00 0.00 179.45 179.75 3k54 h VAL 626 N 0.90 1.28 -0.73 0.50 2.07 -1.78 -2.72 116.25 115.78 3k54 h VAL 626 Ca 0.22 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 3k54 h VAL 626 Cb 0.14 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3k54 h VAL 626 CO -0.03 0.38 0.34 0.22 0.02 0.00 0.00 177.57 178.50 3k54 h TYR 627 N 0.48 1.04 -0.91 1.57 3.20 -0.69 -1.81 116.97 119.85 3k54 h TYR 627 Ca 0.09 -0.04 0.08 0.00 3.14 0.00 0.00 58.73 62.00 3k54 h TYR 627 Cb 0.59 -0.32 -0.07 0.00 1.54 0.00 0.00 36.73 38.46 3k54 h TYR 627 CO 0.05 0.76 0.56 1.15 -1.64 0.00 0.00 178.16 179.04 3k54 h THR 628 N 1.03 1.00 0.17 1.81 2.02 -1.18 0.43 112.91 118.19 3k54 h THR 628 Ca 0.25 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 3k54 h THR 628 Cb 0.11 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 3k54 h THR 628 CO -0.03 0.18 -0.08 0.40 0.37 0.00 0.00 175.52 176.36 3k54 h ILE 629 N 0.98 0.90 -0.49 3.11 2.04 -1.06 -1.97 117.51 121.02 3k54 h ILE 629 Ca 0.41 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.90 3k54 h ILE 629 Cb 0.27 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3k54 h ILE 629 CO -0.21 0.07 -0.02 0.00 0.00 0.00 0.00 178.15 177.99 3k54 h MET 630 N -0.36 0.82 -0.02 2.37 -0.00 -0.97 -2.64 114.93 114.12 3k54 h MET 630 Ca -0.02 -0.23 -0.04 0.00 -0.00 0.00 0.00 59.70 59.40 3k54 h MET 630 Cb 0.29 -0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 31.79 3k54 h MET 630 CO 0.04 0.84 -0.19 -0.92 -0.00 0.00 0.00 176.91 176.67 3k54 h TYR 631 N 0.76 0.04 0.00 -0.10 5.03 -0.12 -1.75 116.97 120.83 3k54 h TYR 631 Ca 0.14 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.43 3k54 h TYR 631 Cb 0.49 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.75 3k54 h TYR 631 CO 0.03 0.23 -0.10 0.66 -1.32 0.00 0.00 178.16 177.66 3k54 h SER 632 N 0.04 0.00 0.57 -2.11 4.64 -0.97 -0.76 113.55 114.96 3k54 h SER 632 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3k54 h SER 632 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3k54 h SER 632 CO 0.03 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.08 3k54 n TRP 634 N -1.55 0.56 -1.75 0.00 8.01 -0.29 -3.56 117.44 118.86 3k54 n TRP 634 Ca 0.04 -0.92 -0.42 0.00 -1.31 0.00 0.00 57.50 54.89 3k54 n TRP 634 Cb 0.19 -0.25 -0.01 0.00 -2.01 0.00 0.00 31.31 29.24 3k54 n TRP 634 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.69 178.26 3k54 n HIS 635 N -0.87 2.77 -0.13 -5.99 -0.00 -1.24 -4.88 115.22 104.88 3k54 n HIS 635 Ca 0.19 0.42 -0.00 0.00 0.46 0.00 0.00 57.72 58.78 3k54 n HIS 635 Cb 0.78 -2.52 0.25 0.00 -0.12 0.00 0.00 29.99 28.38 3k54 n HIS 635 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 3k54 h GLU 636 N 3.43 0.83 -5.88 1.57 4.57 -1.96 -3.37 114.58 113.77 3k54 h GLU 636 Ca -0.48 -0.10 -0.60 0.00 -1.18 0.00 0.00 59.36 56.99 3k54 h GLU 636 Cb 1.25 -0.16 -0.10 0.00 -0.16 0.00 0.00 28.75 29.58 3k54 h GLU 636 CO 0.68 0.64 0.45 0.15 -1.18 0.00 0.00 179.01 179.76 3k54 s LYS 637 N -5.47 3.83 0.21 1.92 1.02 -1.26 -4.92 119.74 115.07 3k54 s LYS 637 Ca -0.10 0.47 -0.09 0.00 0.02 0.00 0.00 55.97 56.27 3k54 s LYS 637 Cb 0.17 -3.79 0.27 0.00 -0.52 0.00 0.00 37.83 33.96 3k54 s LYS 637 CO 0.78 -0.84 1.76 0.00 -0.92 0.00 0.00 175.35 176.14 3k54 h ALA 638 N 8.38 0.82 0.00 5.17 0.00 -1.97 -0.25 119.26 131.41 3k54 h ALA 638 Ca -0.24 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3k54 h ALA 638 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3k54 h ALA 638 CO 0.93 -0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.65 3k54 n ASP 639 N -4.94 0.09 -0.49 0.00 5.68 -1.26 -1.34 116.55 114.29 3k54 n ASP 639 Ca 0.09 0.53 0.14 0.00 -0.50 0.00 0.00 54.79 55.05 3k54 n ASP 639 Cb 0.25 -0.55 0.46 0.00 -1.14 0.00 0.00 41.12 40.14 3k54 n ASP 639 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3k54 n GLU 640 N -1.61 1.61 -2.92 0.11 -0.58 -0.11 -4.90 120.64 112.24 3k54 n GLU 640 Ca 0.01 -0.99 -0.34 0.00 -0.42 0.00 0.00 57.16 55.43 3k54 n GLU 640 Cb 0.08 -1.48 -0.07 0.00 -0.57 0.00 0.00 31.44 29.40 3k54 n GLU 640 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3k54 s ARG 641 N -2.07 4.22 0.99 3.49 0.52 -0.45 -4.92 118.95 120.73 3k54 s ARG 641 Ca 0.35 1.01 -0.13 0.00 -0.52 0.00 0.00 55.73 56.44 3k54 s ARG 641 Cb 0.21 -2.38 0.18 0.00 0.52 0.00 0.00 34.95 33.48 3k54 s ARG 641 CO 0.36 0.09 1.13 -1.25 0.02 0.00 0.00 175.30 175.65 3k54 s PRO 642 N -2.88 0.50 0.64 3.54 0.04 -1.26 -5.06 135.00 130.51 3k54 s PRO 642 Ca 0.57 0.27 -0.03 0.00 0.04 0.00 0.00 61.00 61.85 3k54 s PRO 642 Cb -0.11 -1.77 0.05 0.00 0.04 0.00 0.00 34.50 32.71 3k54 s PRO 642 CO 0.16 -2.63 0.91 0.95 0.04 0.00 0.00 177.00 176.44 3k54 s THR 643 N -3.17 2.43 0.42 1.26 -4.23 -1.26 -4.95 115.64 106.14 3k54 s THR 643 Ca 0.66 -0.45 0.15 0.00 -1.18 0.00 0.00 61.69 60.87 3k54 s THR 643 Cb -0.15 -2.99 0.16 0.00 1.34 0.00 0.00 72.50 70.87 3k54 s THR 643 CO 0.55 0.00 1.94 -0.26 -0.54 0.00 0.00 174.62 176.31 3k54 h PHE 644 N -0.32 0.00 -0.73 3.99 0.04 -1.95 -1.22 116.94 116.76 3k54 h PHE 644 Ca -0.43 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.37 3k54 h PHE 644 Cb 1.31 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.41 3k54 h PHE 644 CO 0.32 0.24 0.46 -0.22 -0.60 0.00 0.00 178.31 178.52 3k54 h LYS 645 N 0.00 0.89 -0.16 1.51 3.64 -1.92 0.14 116.57 120.68 3k54 h LYS 645 Ca -0.00 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 3k54 h LYS 645 Cb 0.44 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3k54 h LYS 645 CO 0.03 0.59 -0.21 0.82 -2.27 0.00 0.00 179.45 178.40 3k54 h ILE 646 N 0.91 1.35 -0.89 2.00 2.04 -1.80 -2.16 117.51 118.96 3k54 h ILE 646 Ca 0.29 -1.42 0.07 0.00 1.00 0.00 0.00 64.86 64.80 3k54 h ILE 646 Cb 0.00 1.91 -0.07 0.00 -0.74 0.00 0.00 36.82 37.93 3k54 h ILE 646 CO -0.10 0.42 0.55 -0.07 0.00 0.00 0.00 178.15 178.95 3k54 h LEU 647 N 0.05 0.85 0.75 1.44 3.38 -0.99 -0.16 115.31 120.63 3k54 h LEU 647 Ca 0.02 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3k54 h LEU 647 Cb 0.77 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3k54 h LEU 647 CO 0.05 0.52 -0.50 0.25 0.09 0.00 0.00 178.44 178.85 3k54 h LEU 648 N 0.97 -1.28 -0.96 1.67 5.85 -0.63 0.14 115.31 121.07 3k54 h LEU 648 Ca 0.40 0.08 0.22 0.00 0.84 0.00 0.00 57.88 59.42 3k54 h LEU 648 Cb 0.24 0.38 -0.12 0.00 0.37 0.00 0.00 40.66 41.53 3k54 h LEU 648 CO -0.20 -0.75 0.53 -1.28 -0.34 0.00 0.00 178.44 176.40 3k54 h SER 649 N -1.18 0.57 -0.01 1.25 0.87 -1.22 -0.27 113.55 113.55 3k54 h SER 649 Ca -0.10 0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3k54 h SER 649 Cb 0.96 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.97 3k54 h SER 649 CO 0.08 0.10 0.00 0.78 -0.53 0.00 0.00 176.83 177.26 3k54 h ASN 650 N 0.55 0.02 -0.39 6.23 2.35 -0.62 -1.06 115.58 122.66 3k54 h ASN 650 Ca 0.60 -0.23 0.06 0.00 -0.55 0.00 0.00 56.30 56.18 3k54 h ASN 650 Cb 1.10 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 39.42 3k54 h ASN 650 CO -0.47 0.25 0.10 0.40 -1.65 0.00 0.00 177.43 176.05 3k54 h ILE 651 N -0.20 0.83 -0.79 2.81 2.04 -0.53 -1.47 117.51 120.19 3k54 h ILE 651 Ca 0.00 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3k54 h ILE 651 Cb 0.23 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 3k54 h ILE 651 CO 0.00 0.04 0.50 -0.07 0.00 0.00 0.00 178.15 178.62 3k54 h LEU 652 N 0.23 0.92 -0.29 1.44 3.38 -0.98 0.20 115.31 120.22 3k54 h LEU 652 Ca 0.19 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3k54 h LEU 652 Cb 0.21 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3k54 h LEU 652 CO -0.23 0.69 0.18 0.44 0.09 0.00 0.00 178.44 179.61 3k54 h ASP 653 N 1.08 0.34 -0.81 -0.43 3.32 -0.77 -0.96 116.42 118.18 3k54 h ASP 653 Ca 0.29 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 3k54 h ASP 653 Cb -0.09 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 3k54 h ASP 653 CO -0.06 0.29 0.41 0.58 -1.72 0.00 0.00 179.24 178.74 3k54 h VAL 654 N 0.37 1.25 -0.89 -1.35 2.07 -0.59 -1.47 116.25 115.65 3k54 h VAL 654 Ca 0.10 -0.67 0.07 0.00 0.82 0.00 0.00 66.70 67.02 3k54 h VAL 654 Cb 0.00 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 29.91 3k54 h VAL 654 CO -0.02 0.29 0.55 0.24 0.02 0.00 0.00 177.57 178.65 3k54 h MET 655 N 1.14 0.97 -0.48 1.57 2.86 -0.46 0.40 114.93 120.94 3k54 h MET 655 Ca 0.28 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.78 3k54 h MET 655 Cb 0.08 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 3k54 h MET 655 CO -0.04 0.64 -0.04 -0.44 1.06 0.00 0.00 176.91 178.09 3k54 h ASP 656 N 1.00 0.79 0.27 1.22 3.32 -0.45 -2.93 116.42 119.65 3k54 h ASP 656 Ca 0.39 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 3k54 h ASP 656 Cb 0.19 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3k54 h ASP 656 CO -0.18 0.89 -0.52 -0.33 -1.72 0.00 0.00 179.24 177.37 3k54 h GLU 657 N 0.75 0.28 0.00 3.56 5.08 -0.52 -3.52 114.58 120.22 3k54 h GLU 657 Ca 0.14 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3k54 h GLU 657 Cb 0.52 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3k54 h GLU 657 CO 0.03 0.74 0.00 0.39 -1.00 0.00 0.00 179.01 179.17