#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbu s HIS 400 N 0.00 3.93 0.07 4.78 4.02 -1.16 -4.98 115.29 121.94 2wbu s HIS 400 Ca 0.00 -2.85 -0.18 0.00 1.02 0.00 0.00 55.06 53.05 2wbu s HIS 400 Cb 0.00 -3.42 -0.06 0.00 -1.02 0.00 0.00 32.58 28.08 2wbu s HIS 400 CO 0.00 -0.81 0.53 0.99 1.02 0.00 0.00 174.74 176.46 2wbu s THR 401 N -1.10 4.82 -0.82 1.30 2.01 -1.26 -0.36 115.64 120.23 2wbu s THR 401 Ca 0.26 1.08 -0.22 0.00 0.31 0.00 0.00 61.69 63.13 2wbu s THR 401 Cb -0.09 -3.83 0.09 0.00 0.01 0.00 0.00 72.50 68.67 2wbu s THR 401 CO -0.10 0.52 1.13 0.00 -0.69 0.00 0.00 174.62 175.48 2wbu n ASP 403 N 7.61 6.63 -4.69 0.00 3.85 -1.26 -4.39 116.55 124.30 2wbu n ASP 403 Ca 0.13 -3.23 -0.39 0.00 -0.71 0.00 0.00 54.79 50.59 2wbu n ASP 403 Cb 0.48 -1.14 -0.06 0.00 -1.35 0.00 0.00 41.12 39.05 2wbu n ASP 403 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 2wbu s TYR 404 N -2.05 3.42 0.00 2.11 5.04 -1.26 -4.96 117.35 119.65 2wbu s TYR 404 Ca 0.48 0.80 0.00 0.00 -2.44 0.00 0.00 57.07 55.92 2wbu s TYR 404 Cb 0.34 -2.61 0.00 0.00 0.35 0.00 0.00 41.96 40.04 2wbu s TYR 404 CO -0.13 0.01 0.00 0.00 -1.34 0.00 0.00 175.55 174.09 2wbu n ALA 405 N 4.34 0.00 -1.47 3.97 0.00 -1.26 -0.72 120.51 125.37 2wbu n ALA 405 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2wbu n ALA 405 Cb 0.51 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.16 2wbu n ALA 405 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wbu n GLY 406 N 0.00 4.96 3.73 0.00 0.00 -1.26 -5.06 105.19 107.56 2wbu n GLY 406 Ca 0.00 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 2wbu n GLY 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wbu n GLY 408 N 2.94 2.67 3.66 0.00 0.00 -1.26 -4.75 105.19 108.46 2wbu n GLY 408 Ca 0.10 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 2wbu n GLY 408 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wbu s LYS 409 N -2.32 3.26 0.05 1.61 1.02 -1.26 -4.97 119.74 117.13 2wbu s LYS 409 Ca 0.41 -0.40 0.04 0.00 0.02 0.00 0.00 55.97 56.03 2wbu s LYS 409 Cb 0.31 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.70 2wbu s LYS 409 CO 0.12 0.58 -0.11 0.95 -0.92 0.00 0.00 175.35 175.96 2wbu s THR 410 N -0.53 0.81 0.09 2.17 -4.23 -1.26 0.16 115.64 112.86 2wbu s THR 410 Ca 0.09 -1.13 0.06 0.00 -1.18 0.00 0.00 61.69 59.53 2wbu s THR 410 Cb -0.12 -0.82 -0.03 0.00 1.34 0.00 0.00 72.50 72.87 2wbu s THR 410 CO 0.02 -0.27 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.38 2wbu s TYR 411 N -1.24 1.34 -0.70 3.99 2.02 0.52 -4.92 117.35 118.36 2wbu s TYR 411 Ca -0.05 -0.49 0.04 0.00 -0.37 0.00 0.00 57.07 56.20 2wbu s TYR 411 Cb -0.10 -0.73 0.26 0.00 -0.40 0.00 0.00 41.96 40.99 2wbu s TYR 411 CO 0.01 0.10 0.94 0.25 -1.57 0.00 0.00 175.55 175.28 2wbu n THR 412 N 0.99 0.97 -3.41 -0.71 -2.24 -1.26 -2.99 114.28 105.63 2wbu n THR 412 Ca -0.19 -0.46 0.01 0.00 -2.27 0.00 0.00 64.05 61.14 2wbu n THR 412 Cb 0.55 -0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 68.27 2wbu n THR 412 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2wbu s LYS 413 N -1.51 0.38 0.34 -0.78 2.20 -1.26 -5.02 119.74 114.08 2wbu s LYS 413 Ca 0.18 0.89 0.15 0.00 -0.36 0.00 0.00 55.97 56.83 2wbu s LYS 413 Cb 0.14 0.53 1.13 0.00 -1.51 0.00 0.00 37.83 38.11 2wbu s LYS 413 CO 0.05 -0.18 1.63 1.03 -0.36 0.00 0.00 175.35 177.52 2wbu h SER 414 N 7.72 0.37 1.29 1.43 0.87 -1.95 0.17 113.55 123.44 2wbu h SER 414 Ca -0.17 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2wbu h SER 414 Cb 1.12 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 2wbu h SER 414 CO 0.08 -0.24 0.00 -1.54 -0.53 0.00 0.00 176.83 174.60 2wbu n SER 415 N -5.15 0.53 0.04 6.23 3.41 -1.26 -2.49 113.62 114.93 2wbu n SER 415 Ca 0.32 0.55 -0.10 0.00 -0.26 0.00 0.00 58.87 59.39 2wbu n SER 415 Cb 1.05 -0.69 -0.13 0.00 -0.26 0.00 0.00 64.21 64.17 2wbu n SER 415 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2wbu h HIS 416 N 0.00 0.12 -0.78 7.33 3.86 -1.08 -2.99 115.15 121.61 2wbu h HIS 416 Ca 0.00 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 2wbu h HIS 416 Cb 0.64 -0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.07 2wbu h HIS 416 CO 0.00 1.09 0.44 1.25 0.86 0.00 0.00 177.93 181.57 2wbu h LEU 417 N 0.02 0.95 -0.25 2.43 5.85 -1.34 -0.20 115.31 122.76 2wbu h LEU 417 Ca -0.13 -0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.42 2wbu h LEU 417 Cb 1.89 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.67 2wbu h LEU 417 CO 0.13 0.75 -0.25 0.50 -0.34 0.00 0.00 178.44 179.23 2wbu h LYS 418 N 1.08 0.62 -0.93 1.25 3.64 -1.50 -0.60 116.57 120.13 2wbu h LYS 418 Ca 0.28 -0.33 0.06 0.00 -1.27 0.00 0.00 60.65 59.39 2wbu h LYS 418 Cb 0.00 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.77 2wbu h LYS 418 CO -0.05 0.93 0.61 0.00 -2.27 0.00 0.00 179.45 178.67 2wbu h ALA 419 N 0.68 1.46 0.00 5.00 0.00 -1.37 -1.87 119.26 123.17 2wbu h ALA 419 Ca 0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2wbu h ALA 419 Cb 0.81 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2wbu h ALA 419 CO 0.06 0.42 -0.35 1.25 0.00 0.00 0.00 179.25 180.64 2wbu h HIS 420 N 1.10 0.00 0.00 0.00 -0.00 -0.26 -2.84 115.15 113.16 2wbu h HIS 420 Ca 0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.76 2wbu h HIS 420 Cb 0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.54 2wbu h HIS 420 CO -0.00 0.35 -0.02 -0.07 -0.00 0.00 0.00 177.93 178.19 2wbu h LEU 421 N 0.00 0.00 -1.82 0.26 3.38 -0.26 -1.86 115.31 115.02 2wbu h LEU 421 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wbu h LEU 421 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2wbu h LEU 421 CO 0.05 0.02 0.00 0.03 0.09 0.00 0.00 178.44 178.62 2wbu h ARG 422 N 0.00 0.00 -0.05 1.13 3.08 -1.51 -1.49 114.38 115.54 2wbu h ARG 422 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 2wbu h ARG 422 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2wbu h ARG 422 CO 0.00 0.00 -0.45 1.79 -1.07 0.00 0.00 179.97 180.24 2wbu h THR 423 N 0.00 1.33 0.00 2.04 1.35 -1.52 -0.26 112.91 115.84 2wbu h THR 423 Ca 0.00 -1.58 -0.08 0.00 -0.55 0.00 0.00 66.41 64.20 2wbu h THR 423 Cb 0.37 1.80 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 2wbu h THR 423 CO 0.00 0.46 -0.87 0.45 -0.25 0.00 0.00 175.52 175.31 2wbu h HIS 424 N 0.09 0.00 0.00 4.73 3.86 -1.45 -3.37 115.15 119.00 2wbu h HIS 424 Ca 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.13 2wbu h HIS 424 Cb 0.83 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.29 2wbu h HIS 424 CO 0.01 0.30 -1.98 0.25 0.86 0.00 0.00 177.93 177.37 2wbu n THR 425 N -2.94 0.32 0.00 2.45 -2.24 -1.00 -4.97 114.28 105.90 2wbu n THR 425 Ca -0.02 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2wbu n THR 425 Cb 0.68 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 2wbu n THR 425 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wbu n GLY 426 N 1.53 2.84 2.76 3.38 0.00 -0.12 -4.99 105.19 110.60 2wbu n GLY 426 Ca -0.10 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.45 2wbu n GLY 426 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wbu n GLU 427 N -2.00 0.00 -3.71 1.61 -0.58 -1.25 -4.94 120.64 109.77 2wbu n GLU 427 Ca 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 2wbu n GLU 427 Cb 0.00 -1.17 -0.13 0.00 -0.57 0.00 0.00 31.44 29.57 2wbu n GLU 427 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2wbu s LYS 428 N 0.45 1.22 0.00 3.49 1.02 -1.26 -4.45 119.74 120.21 2wbu s LYS 428 Ca 0.73 -1.90 0.26 0.00 0.02 0.00 0.00 55.97 55.08 2wbu s LYS 428 Cb -1.02 -2.30 1.29 0.00 -0.52 0.00 0.00 37.83 35.28 2wbu s LYS 428 CO 0.48 -1.14 1.89 -2.30 -0.92 0.00 0.00 175.35 173.36 2wbu n PRO 429 N 3.69 0.30 -3.71 -1.68 -0.02 -1.04 -4.42 135.00 128.11 2wbu n PRO 429 Ca 0.08 0.04 -0.37 0.00 -2.02 0.00 0.00 63.50 61.22 2wbu n PRO 429 Cb 0.35 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.23 2wbu n PRO 429 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2wbu s TYR 430 N -2.66 3.54 -0.16 6.00 1.51 -0.86 -4.96 117.35 119.76 2wbu s TYR 430 Ca 0.22 -2.30 -0.15 0.00 -1.01 0.00 0.00 57.07 53.84 2wbu s TYR 430 Cb 0.18 -3.30 -0.05 0.00 -0.11 0.00 0.00 41.96 38.68 2wbu s TYR 430 CO 0.42 -0.97 0.33 -1.01 -1.11 0.00 0.00 175.55 173.21 2wbu s HIS 431 N 1.10 3.46 0.08 2.71 3.76 -1.26 -0.36 115.29 124.78 2wbu s HIS 431 Ca 0.08 0.64 -0.31 0.00 -0.15 0.00 0.00 55.06 55.32 2wbu s HIS 431 Cb -0.23 -2.38 -0.08 0.00 1.11 0.00 0.00 32.58 30.99 2wbu s HIS 431 CO -0.03 0.21 1.62 0.00 -0.85 0.00 0.00 174.74 175.69 2wbu n ASP 433 N 5.34 4.39 -4.71 0.00 2.03 -1.26 -4.41 116.55 117.92 2wbu n ASP 433 Ca 0.15 -3.19 -0.41 0.00 0.52 0.00 0.00 54.79 51.86 2wbu n ASP 433 Cb 0.40 -0.75 -0.03 0.00 -0.72 0.00 0.00 41.12 40.02 2wbu n ASP 433 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 2wbu s TRP 434 N -2.82 3.63 -0.27 -0.67 -0.11 -1.26 -4.92 118.94 112.52 2wbu s TRP 434 Ca 0.51 1.58 -0.42 0.00 1.22 0.00 0.00 56.10 58.98 2wbu s TRP 434 Cb 0.41 -3.04 -0.19 0.00 -1.50 0.00 0.00 33.47 29.15 2wbu s TRP 434 CO 0.12 0.01 1.31 -3.47 -4.62 0.00 0.00 176.95 170.30 2wbu n ASP 435 N 3.89 0.65 -0.05 5.86 2.03 -1.26 -1.10 116.55 126.58 2wbu n ASP 435 Ca 0.04 1.13 -0.01 0.00 0.52 0.00 0.00 54.79 56.48 2wbu n ASP 435 Cb 0.51 -0.86 -0.00 0.00 -0.72 0.00 0.00 41.12 40.05 2wbu n ASP 435 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wbu n GLY 436 N 2.79 0.16 0.02 0.27 0.00 -1.26 -4.90 105.19 102.27 2wbu n GLY 436 Ca 0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.26 2wbu n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wbu n GLY 438 N 1.89 0.89 3.77 0.00 0.00 -1.26 -5.05 105.19 105.44 2wbu n GLY 438 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2wbu n GLY 438 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wbu s TRP 439 N -2.43 3.00 0.05 1.61 0.52 -1.26 -4.86 118.94 115.56 2wbu s TRP 439 Ca 0.00 1.56 0.00 0.00 0.02 0.00 0.00 56.10 57.69 2wbu s TRP 439 Cb 0.00 -3.33 -0.03 0.00 -1.15 0.00 0.00 33.47 28.96 2wbu s TRP 439 CO 0.00 -1.28 -0.05 0.15 0.02 0.00 0.00 176.95 175.79 2wbu s LYS 440 N -2.58 0.58 0.03 4.98 1.02 -1.26 -0.04 119.74 122.46 2wbu s LYS 440 Ca 0.61 -1.02 -0.02 0.00 0.02 0.00 0.00 55.97 55.56 2wbu s LYS 440 Cb -0.28 -0.00 -0.02 0.00 -0.52 0.00 0.00 37.83 37.01 2wbu s LYS 440 CO 0.34 -0.05 0.01 -0.06 -0.92 0.00 0.00 175.35 174.68 2wbu s PHE 441 N -2.82 0.28 -0.28 3.18 0.40 0.51 -4.97 117.98 114.27 2wbu s PHE 441 Ca -0.00 -0.59 0.27 0.00 -0.60 0.00 0.00 56.93 56.01 2wbu s PHE 441 Cb -0.00 -0.20 0.83 0.00 0.51 0.00 0.00 43.02 44.15 2wbu s PHE 441 CO -0.05 -0.27 1.77 0.00 0.70 0.00 0.00 175.22 177.37 2wbu h ALA 442 N 4.12 1.00 -3.72 5.36 0.00 -1.88 -2.21 119.26 121.94 2wbu h ALA 442 Ca -0.32 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.18 2wbu h ALA 442 Cb 1.19 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.67 2wbu h ALA 442 CO 0.48 0.00 -0.78 1.03 0.00 0.00 0.00 179.25 179.98 2wbu s ARG 443 N -3.37 0.83 0.37 0.00 0.52 -1.26 -4.69 118.95 111.35 2wbu s ARG 443 Ca 0.05 -0.22 0.08 0.00 -0.52 0.00 0.00 55.73 55.12 2wbu s ARG 443 Cb 0.08 -0.79 0.73 0.00 0.52 0.00 0.00 34.95 35.49 2wbu s ARG 443 CO 0.59 0.05 1.90 0.66 0.02 0.00 0.00 175.30 178.52 2wbu h SER 444 N 6.57 0.29 1.50 0.23 4.64 -1.96 -1.29 113.55 123.53 2wbu h SER 444 Ca -0.34 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 60.88 2wbu h SER 444 Cb 1.17 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2wbu h SER 444 CO 0.49 0.43 -0.22 -2.24 -0.87 0.00 0.00 176.83 174.42 2wbu h ASP 445 N 0.29 0.00 0.33 4.97 2.03 -1.99 -1.74 116.42 120.31 2wbu h ASP 445 Ca 0.06 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.23 2wbu h ASP 445 Cb 0.37 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.86 2wbu h ASP 445 CO 0.02 0.22 -0.54 -0.08 -1.03 0.00 0.00 179.24 177.82 2wbu h GLU 446 N 0.00 0.23 -0.32 4.15 4.57 -1.67 -2.01 114.58 119.53 2wbu h GLU 446 Ca -0.00 -0.14 -0.12 0.00 -1.18 0.00 0.00 59.36 57.92 2wbu h GLU 446 Cb 1.02 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 2wbu h GLU 446 CO 0.03 0.72 -0.29 1.25 -1.18 0.00 0.00 179.01 179.53 2wbu h LEU 447 N 0.18 0.68 -0.06 1.64 5.85 -0.99 -1.69 115.31 120.92 2wbu h LEU 447 Ca 0.00 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.47 2wbu h LEU 447 Cb 1.01 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2wbu h LEU 447 CO 0.08 0.94 -0.02 0.74 -0.34 0.00 0.00 178.44 179.84 2wbu h THR 448 N 0.57 0.94 -0.77 1.05 2.02 -1.20 -0.24 112.91 115.27 2wbu h THR 448 Ca 0.07 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.33 2wbu h THR 448 Cb 0.79 0.94 -0.07 0.00 -1.74 0.00 0.00 68.15 68.07 2wbu h THR 448 CO 0.06 0.00 0.44 0.03 0.37 0.00 0.00 175.52 176.43 2wbu h ARG 449 N -0.00 0.75 0.33 6.66 3.08 -1.16 -2.69 114.38 121.35 2wbu h ARG 449 Ca 0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2wbu h ARG 449 Cb 0.05 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 2wbu h ARG 449 CO -0.06 0.50 -0.43 1.25 -1.07 0.00 0.00 179.97 180.16 2wbu h HIS 450 N 0.78 -1.18 -0.52 3.04 2.76 -0.96 -1.52 115.15 117.56 2wbu h HIS 450 Ca 0.36 0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.69 2wbu h HIS 450 Cb 0.27 0.47 -0.02 0.00 1.55 0.00 0.00 27.41 29.69 2wbu h HIS 450 CO -0.06 -0.56 0.63 1.88 -1.30 0.00 0.00 177.93 178.51 2wbu h TYR 451 N -0.80 0.00 0.00 5.26 0.99 -0.82 0.31 116.97 121.91 2wbu h TYR 451 Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 2wbu h TYR 451 Cb 0.74 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.47 2wbu h TYR 451 CO -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 177.88 2wbu h ARG 452 N 0.00 0.00 0.20 4.88 3.08 -0.95 -0.15 114.38 121.45 2wbu h ARG 452 Ca 0.24 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 2wbu h ARG 452 Cb 1.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.55 2wbu h ARG 452 CO -0.00 0.00 -0.10 0.87 -1.07 0.00 0.00 179.97 179.67 2wbu h LYS 453 N 0.00 -0.27 0.13 0.04 1.57 -0.27 0.68 116.57 118.45 2wbu h LYS 453 Ca 0.00 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2wbu h LYS 453 Cb 0.80 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.12 2wbu h LYS 453 CO 0.00 0.13 -0.53 0.45 -0.57 0.00 0.00 179.45 178.92 2wbu h HIS 454 N -0.80 -1.54 0.00 -1.35 3.86 -1.39 -2.98 115.15 110.95 2wbu h HIS 454 Ca -0.03 0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 2wbu h HIS 454 Cb 0.51 0.65 -0.01 0.00 1.06 0.00 0.00 27.41 29.63 2wbu h HIS 454 CO 0.06 -0.60 -0.41 1.79 0.86 0.00 0.00 177.93 179.63 2wbu h THR 455 N -0.76 0.73 -1.16 2.45 1.35 -1.14 -3.47 112.91 110.91 2wbu h THR 455 Ca -0.01 -1.95 -0.36 0.00 -0.55 0.00 0.00 66.41 63.54 2wbu h THR 455 Cb 0.77 2.30 -0.12 0.00 -1.73 0.00 0.00 68.15 69.37 2wbu h THR 455 CO -0.28 0.41 -0.35 0.61 -0.25 0.00 0.00 175.52 175.65 2wbu n GLY 456 N 1.09 1.33 3.72 5.82 0.00 0.23 -4.97 105.19 112.40 2wbu n GLY 456 Ca 0.02 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2wbu n GLY 456 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wbu s HIS 457 N -2.70 3.03 -0.40 1.61 5.65 -1.23 -4.99 115.29 116.27 2wbu s HIS 457 Ca 0.00 0.65 0.01 0.00 0.25 0.00 0.00 55.06 55.97 2wbu s HIS 457 Cb 0.00 -3.94 0.13 0.00 -1.18 0.00 0.00 32.58 27.58 2wbu s HIS 457 CO 0.00 -3.44 0.20 1.03 -0.65 0.00 0.00 174.74 171.88 2wbu s ARG 458 N 0.89 1.10 0.00 2.88 0.52 -1.26 -4.64 118.95 118.44 2wbu s ARG 458 Ca 0.69 -1.74 0.30 0.00 -0.52 0.00 0.00 55.73 54.46 2wbu s ARG 458 Cb -0.44 -2.20 1.69 0.00 0.52 0.00 0.00 34.95 34.52 2wbu s ARG 458 CO 0.33 -1.12 2.10 -2.30 0.02 0.00 0.00 175.30 174.34 2wbu n PRO 459 N 3.90 0.74 -3.72 3.54 -0.02 -1.08 -4.42 135.00 133.94 2wbu n PRO 459 Ca 0.06 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.17 2wbu n PRO 459 Cb 0.36 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.24 2wbu n PRO 459 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2wbu s PHE 460 N -2.22 3.52 -0.25 6.00 0.08 -0.66 -4.98 117.98 119.47 2wbu s PHE 460 Ca 0.39 -2.21 -0.10 0.00 0.12 0.00 0.00 56.93 55.13 2wbu s PHE 460 Cb 0.20 -3.22 -0.04 0.00 -0.57 0.00 0.00 43.02 39.39 2wbu s PHE 460 CO 0.39 -0.96 0.14 -1.14 -0.10 0.00 0.00 175.22 173.55 2wbu s GLN 461 N 1.22 3.92 0.11 0.44 2.00 -1.26 -0.14 119.66 125.94 2wbu s GLN 461 Ca 0.07 -0.34 -0.31 0.00 -2.00 0.00 0.00 55.36 52.78 2wbu s GLN 461 Cb -0.23 -3.50 -0.08 0.00 0.80 0.00 0.00 33.01 29.99 2wbu s GLN 461 CO -0.03 -0.06 1.52 0.00 -0.50 0.00 0.00 175.29 176.22 2wbu n GLN 463 N 4.57 1.58 0.00 0.00 1.13 -1.26 -3.53 117.38 119.86 2wbu n GLN 463 Ca 0.14 -0.87 0.00 0.00 -1.94 0.00 0.00 57.00 54.33 2wbu n GLN 463 Cb 0.41 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 29.38 2wbu n GLN 463 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2wbu n LYS 464 N 0.09 5.82 -1.79 -1.09 5.02 -1.26 -5.08 118.16 119.88 2wbu n LYS 464 Ca 0.16 -0.05 -0.02 0.00 -2.02 0.00 0.00 58.31 56.38 2wbu n LYS 464 Cb 0.27 -0.52 -0.00 0.00 -0.02 0.00 0.00 35.03 34.76 2wbu n LYS 464 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wbu h ASP 466 N 0.25 0.00 -3.74 0.00 5.19 -1.98 -3.40 116.42 112.73 2wbu h ASP 466 Ca -0.04 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.87 2wbu h ASP 466 Cb 0.15 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.68 2wbu h ASP 466 CO 0.05 0.00 0.47 -0.13 -3.12 0.00 0.00 179.24 176.51 2wbu s ARG 467 N -3.25 4.65 0.25 3.56 0.52 -1.26 -4.87 118.95 118.54 2wbu s ARG 467 Ca 0.07 1.76 0.07 0.00 -0.52 0.00 0.00 55.73 57.11 2wbu s ARG 467 Cb 0.10 -3.22 -0.05 0.00 0.52 0.00 0.00 34.95 32.30 2wbu s ARG 467 CO 0.53 0.20 -0.10 0.00 0.02 0.00 0.00 175.30 175.95 2wbu s ALA 468 N -0.95 2.21 0.06 2.13 0.00 -1.26 -1.83 121.76 122.11 2wbu s ALA 468 Ca 0.45 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.62 2wbu s ALA 468 Cb -0.31 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 2wbu s ALA 468 CO 0.39 -0.01 -0.05 -0.06 0.00 0.00 0.00 175.76 176.03 2wbu s PHE 469 N -2.99 0.59 -0.55 0.00 0.08 0.80 -4.99 117.98 110.93 2wbu s PHE 469 Ca 0.27 -0.82 0.24 0.00 0.12 0.00 0.00 56.93 56.73 2wbu s PHE 469 Cb 0.02 -0.39 0.26 0.00 -0.57 0.00 0.00 43.02 42.34 2wbu s PHE 469 CO 0.10 -0.23 1.26 0.66 -0.10 0.00 0.00 175.22 176.91 2wbu h SER 470 N 3.63 0.00 -4.21 1.36 4.64 -1.85 -1.70 113.55 115.42 2wbu h SER 470 Ca -0.34 -0.17 -0.38 0.00 -0.47 0.00 0.00 61.79 60.44 2wbu h SER 470 Cb 1.17 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.08 2wbu h SER 470 CO 0.56 0.08 -0.75 -0.13 -0.87 0.00 0.00 176.83 175.73 2wbu s ARG 471 N -3.21 0.94 0.21 4.77 0.52 -1.26 -4.64 118.95 116.28 2wbu s ARG 471 Ca 0.05 -1.19 0.10 0.00 -0.52 0.00 0.00 55.73 54.17 2wbu s ARG 471 Cb 0.12 -0.74 0.11 0.00 0.52 0.00 0.00 34.95 34.96 2wbu s ARG 471 CO 0.74 0.14 1.46 0.66 0.02 0.00 0.00 175.30 178.31 2wbu h SER 472 N 3.58 0.00 -0.21 0.23 4.64 -1.97 -3.16 113.55 116.66 2wbu h SER 472 Ca -0.39 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.77 2wbu h SER 472 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2wbu h SER 472 CO 0.51 0.76 -0.44 -2.24 -0.87 0.00 0.00 176.83 174.55 2wbu h ASP 473 N 0.00 0.83 -0.97 4.97 2.03 -1.99 -0.17 116.42 121.13 2wbu h ASP 473 Ca -0.01 -0.40 0.03 0.00 -0.73 0.00 0.00 57.03 55.92 2wbu h ASP 473 Cb 1.40 -0.24 -0.05 0.00 -0.83 0.00 0.00 39.33 39.61 2wbu h ASP 473 CO 0.10 1.15 0.64 0.45 -1.03 0.00 0.00 179.24 180.55 2wbu h HIS 474 N 0.62 1.20 -0.00 4.15 3.86 -1.98 -0.69 115.15 122.31 2wbu h HIS 474 Ca 0.04 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2wbu h HIS 474 Cb 1.01 -0.40 -0.00 0.00 1.06 0.00 0.00 27.41 29.07 2wbu h HIS 474 CO 0.05 0.72 -0.00 1.25 0.86 0.00 0.00 177.93 180.81 2wbu h LEU 475 N 1.27 0.00 -0.85 2.43 5.85 -1.43 -1.26 115.31 121.32 2wbu h LEU 475 Ca 0.38 -0.36 0.13 0.00 0.84 0.00 0.00 57.88 58.86 2wbu h LEU 475 Cb -0.06 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 40.88 2wbu h LEU 475 CO -0.11 0.37 0.46 0.00 -0.34 0.00 0.00 178.44 178.82 2wbu h ALA 476 N 0.64 1.27 -0.46 1.25 0.00 -0.76 0.81 119.26 122.00 2wbu h ALA 476 Ca 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2wbu h ALA 476 Cb 0.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2wbu h ALA 476 CO 0.00 -0.02 -0.20 -0.07 0.00 0.00 0.00 179.25 178.96 2wbu h LEU 477 N 0.69 0.94 -0.05 0.00 3.38 -1.04 -2.86 115.31 116.38 2wbu h LEU 477 Ca 0.45 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2wbu h LEU 477 Cb 0.57 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2wbu h LEU 477 CO -0.32 1.11 -0.01 -0.74 0.09 0.00 0.00 178.44 178.57 2wbu h HIS 478 N 0.80 0.11 -0.85 1.13 2.76 0.46 -3.14 115.15 116.42 2wbu h HIS 478 Ca 0.11 -0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.38 2wbu h HIS 478 Cb 0.75 -0.03 -0.13 0.00 1.55 0.00 0.00 27.41 29.55 2wbu h HIS 478 CO 0.05 0.43 -0.44 0.52 -1.30 0.00 0.00 177.93 177.19 2wbu h MET 479 N -0.25 -0.07 -1.05 5.26 2.86 0.59 0.17 114.93 122.44 2wbu h MET 479 Ca 0.01 0.00 0.27 0.00 -2.06 0.00 0.00 59.70 57.93 2wbu h MET 479 Cb 0.39 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.99 2wbu h MET 479 CO 0.00 -0.05 0.69 0.87 1.06 0.00 0.00 176.91 179.49 2wbu h LYS 480 N -0.07 0.32 0.00 1.72 1.57 -1.46 1.26 116.57 119.91 2wbu h LYS 480 Ca 0.26 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2wbu h LYS 480 Cb 0.55 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2wbu h LYS 480 CO -0.87 0.21 0.00 0.54 -0.57 0.00 0.00 179.45 178.76 2wbu n ARG 481 N -4.55 0.02 0.10 3.15 1.74 0.59 -2.01 116.66 115.70 2wbu n ARG 481 Ca 0.25 0.50 0.12 0.00 -0.77 0.00 0.00 57.85 57.95 2wbu n ARG 481 Cb 0.92 -1.57 0.15 0.00 -1.02 0.00 0.00 32.46 30.94 2wbu n ARG 481 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2wbu h HIS 482 N 0.00 0.00 -0.00 -1.55 3.86 0.16 -3.52 115.15 114.09 2wbu h HIS 482 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2wbu h HIS 482 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.50 2wbu h HIS 482 CO 0.00 0.00 0.00 1.19 0.86 0.00 0.00 177.93 179.98