#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbs s ALA 398 N 0.00 3.25 -0.38 1.79 0.00 -1.26 -4.60 121.76 120.55 2wbs s ALA 398 Ca 0.00 -1.18 0.08 0.00 0.00 0.00 0.00 51.96 50.86 2wbs s ALA 398 Cb 0.00 -3.57 -0.08 0.00 0.00 0.00 0.00 23.12 19.47 2wbs s ALA 398 CO 0.00 -2.13 0.33 0.25 0.00 0.00 0.00 175.76 174.22 2wbs n THR 399 N 6.11 0.00 -3.23 0.00 -2.24 -1.00 -4.75 114.28 109.17 2wbs n THR 399 Ca 0.01 -0.33 -0.45 0.00 -2.27 0.00 0.00 64.05 61.02 2wbs n THR 399 Cb 0.48 1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.66 2wbs n THR 399 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2wbs s HIS 400 N -1.69 3.13 -0.17 4.78 4.02 -0.63 -4.93 115.29 119.81 2wbs s HIS 400 Ca 0.03 -1.05 -0.11 0.00 1.02 0.00 0.00 55.06 54.95 2wbs s HIS 400 Cb 0.06 -3.77 -0.05 0.00 -1.02 0.00 0.00 32.58 27.80 2wbs s HIS 400 CO 0.31 -1.10 0.20 0.99 1.02 0.00 0.00 174.74 176.16 2wbs s THR 401 N 2.11 5.37 0.09 1.30 2.01 -1.26 -0.01 115.64 125.25 2wbs s THR 401 Ca 0.07 0.35 -0.31 0.00 0.31 0.00 0.00 61.69 62.12 2wbs s THR 401 Cb -0.26 -3.53 -0.07 0.00 0.01 0.00 0.00 72.50 68.65 2wbs s THR 401 CO 0.06 0.45 1.33 0.00 -0.69 0.00 0.00 174.62 175.77 2wbs n ASP 403 N 4.02 2.14 -4.73 0.00 5.68 -1.26 -3.50 116.55 118.90 2wbs n ASP 403 Ca 0.11 -1.70 -0.39 0.00 -0.50 0.00 0.00 54.79 52.31 2wbs n ASP 403 Cb 0.44 0.01 0.04 0.00 -1.14 0.00 0.00 41.12 40.47 2wbs n ASP 403 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wbs n TYR 404 N 0.65 2.20 -1.64 2.11 9.36 -1.26 -4.84 117.16 123.74 2wbs n TYR 404 Ca 0.16 0.43 -0.56 0.00 3.32 0.00 0.00 57.90 61.26 2wbs n TYR 404 Cb 0.46 -2.35 -0.07 0.00 -0.63 0.00 0.00 39.34 36.75 2wbs n TYR 404 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wbs n ALA 405 N -1.07 0.08 -1.11 2.98 0.00 -1.26 -1.97 120.51 118.17 2wbs n ALA 405 Ca 0.11 0.30 -0.04 0.00 0.00 0.00 0.00 53.44 53.80 2wbs n ALA 405 Cb 0.45 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.60 2wbs n ALA 405 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wbs n GLY 406 N 4.82 0.62 0.00 0.00 0.00 -1.26 -4.91 105.19 104.46 2wbs n GLY 406 Ca 0.31 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2wbs n GLY 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wbs n GLY 408 N 2.36 1.90 3.65 0.00 0.00 -1.23 -5.00 105.19 106.87 2wbs n GLY 408 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 2wbs n GLY 408 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wbs n LYS 409 N -2.00 1.90 -4.31 1.61 5.02 -1.26 -4.61 118.16 114.51 2wbs n LYS 409 Ca 0.00 0.68 -0.29 0.00 -2.02 0.00 0.00 58.31 56.68 2wbs n LYS 409 Cb 0.00 -2.34 -0.11 0.00 -0.02 0.00 0.00 35.03 32.55 2wbs n LYS 409 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wbs s THR 410 N 0.21 2.82 0.09 -0.18 -4.23 -1.26 -0.82 115.64 112.27 2wbs s THR 410 Ca 0.73 -1.55 0.04 0.00 -1.18 0.00 0.00 61.69 59.73 2wbs s THR 410 Cb -0.70 -2.30 -0.03 0.00 1.34 0.00 0.00 72.50 70.80 2wbs s THR 410 CO 0.47 0.07 -0.12 -0.31 -0.54 0.00 0.00 174.62 174.19 2wbs s TYR 411 N -1.21 1.13 0.04 3.99 2.02 0.98 -4.95 117.35 119.36 2wbs s TYR 411 Ca 0.18 -0.58 0.12 0.00 -0.37 0.00 0.00 57.07 56.42 2wbs s TYR 411 Cb -0.10 -0.62 0.05 0.00 -0.40 0.00 0.00 41.96 40.89 2wbs s TYR 411 CO 0.10 0.04 1.43 1.79 -1.57 0.00 0.00 175.55 177.33 2wbs h THR 412 N 3.78 1.28 -4.05 -0.71 1.35 -1.87 -1.57 112.91 111.12 2wbs h THR 412 Ca -0.38 -2.63 -0.69 0.00 -0.55 0.00 0.00 66.41 62.15 2wbs h THR 412 Cb 1.19 2.52 -0.23 0.00 -1.73 0.00 0.00 68.15 69.90 2wbs h THR 412 CO 0.49 0.69 -0.85 -0.54 -0.25 0.00 0.00 175.52 175.06 2wbs s LYS 413 N -2.99 1.76 0.29 4.72 1.02 -1.26 -4.71 119.74 118.56 2wbs s LYS 413 Ca 0.02 -1.15 -0.01 0.00 0.02 0.00 0.00 55.97 54.85 2wbs s LYS 413 Cb 0.09 -2.03 0.48 0.00 -0.52 0.00 0.00 37.83 35.86 2wbs s LYS 413 CO 0.77 0.50 1.90 1.03 -0.92 0.00 0.00 175.35 178.63 2wbs h SER 414 N 4.36 0.96 -0.57 2.83 0.87 -1.96 -2.63 113.55 117.41 2wbs h SER 414 Ca -0.48 0.01 0.11 0.00 -1.23 0.00 0.00 61.79 60.20 2wbs h SER 414 Cb 1.16 -0.20 -0.11 0.00 -0.44 0.00 0.00 62.40 62.81 2wbs h SER 414 CO 0.44 0.62 -0.16 -1.28 -0.53 0.00 0.00 176.83 175.91 2wbs h SER 415 N 1.09 -0.59 -0.18 6.23 0.87 -2.00 0.01 113.55 118.99 2wbs h SER 415 Ca 0.40 0.18 -0.20 0.00 -1.23 0.00 0.00 61.79 60.94 2wbs h SER 415 Cb 0.17 0.38 0.01 0.00 -0.44 0.00 0.00 62.40 62.52 2wbs h SER 415 CO -0.15 -0.20 -0.68 0.45 -0.53 0.00 0.00 176.83 175.71 2wbs h HIS 416 N -0.02 1.03 -0.45 2.24 3.86 -1.90 -2.87 115.15 117.04 2wbs h HIS 416 Ca 0.27 -0.43 -0.01 0.00 -1.16 0.00 0.00 60.37 59.04 2wbs h HIS 416 Cb 0.44 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 2wbs h HIS 416 CO -0.49 1.26 0.24 1.25 0.86 0.00 0.00 177.93 181.05 2wbs h LEU 417 N 0.51 0.57 -0.36 2.43 5.85 -1.20 -0.47 115.31 122.65 2wbs h LEU 417 Ca -0.03 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.66 2wbs h LEU 417 Cb 1.31 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 42.11 2wbs h LEU 417 CO 0.14 0.51 -0.27 0.50 -0.34 0.00 0.00 178.44 178.98 2wbs h LYS 418 N 0.59 -0.21 -0.04 1.25 3.64 -1.01 0.31 116.57 121.09 2wbs h LYS 418 Ca 0.16 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.40 2wbs h LYS 418 Cb 0.07 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2wbs h LYS 418 CO -0.02 -0.14 -0.67 0.00 -2.27 0.00 0.00 179.45 176.34 2wbs h ALA 419 N 0.88 0.80 -0.37 5.00 0.00 -1.39 -2.84 119.26 121.33 2wbs h ALA 419 Ca 0.17 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2wbs h ALA 419 Cb 0.49 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2wbs h ALA 419 CO -0.49 0.79 0.19 1.25 0.00 0.00 0.00 179.25 180.99 2wbs h HIS 420 N 0.12 0.53 -0.56 0.00 -0.00 -0.77 -2.93 115.15 111.54 2wbs h HIS 420 Ca -0.01 -0.02 0.16 0.00 -0.00 0.00 0.00 60.37 60.50 2wbs h HIS 420 Cb 1.20 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 28.43 2wbs h HIS 420 CO 0.02 0.44 0.41 -0.07 -0.00 0.00 0.00 177.93 178.72 2wbs h LEU 421 N 0.47 0.00 -1.87 0.26 3.38 -0.70 -0.47 115.31 116.38 2wbs h LEU 421 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2wbs h LEU 421 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2wbs h LEU 421 CO -0.02 0.00 -0.10 0.03 0.09 0.00 0.00 178.44 178.44 2wbs h ARG 422 N 0.00 0.00 0.00 1.13 3.08 -1.44 -2.87 114.38 114.28 2wbs h ARG 422 Ca 0.27 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 2wbs h ARG 422 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 2wbs h ARG 422 CO -0.00 0.10 -0.09 1.79 -1.07 0.00 0.00 179.97 180.70 2wbs h THR 423 N 0.00 0.19 -0.82 2.04 1.35 -1.18 -3.38 112.91 111.11 2wbs h THR 423 Ca -0.00 -0.93 -0.71 0.00 -0.55 0.00 0.00 66.41 64.22 2wbs h THR 423 Cb 0.37 1.79 -0.09 0.00 -1.73 0.00 0.00 68.15 68.49 2wbs h THR 423 CO 0.01 0.09 2.39 1.41 -0.25 0.00 0.00 175.52 179.17 2wbs n HIS 424 N -3.17 4.07 -3.69 4.73 8.25 -1.09 -4.64 115.22 119.69 2wbs n HIS 424 Ca 0.02 -2.96 -0.12 0.00 -0.26 0.00 0.00 57.72 54.40 2wbs n HIS 424 Cb 0.44 -2.45 -0.07 0.00 1.12 0.00 0.00 29.99 29.03 2wbs n HIS 424 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2wbs s THR 425 N 2.94 0.06 0.00 1.59 -1.32 -1.26 -4.97 115.64 112.69 2wbs s THR 425 Ca 0.48 -0.53 0.00 0.00 -1.21 0.00 0.00 61.69 60.43 2wbs s THR 425 Cb 0.07 -0.95 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 2wbs s THR 425 CO -0.00 -0.29 0.00 0.61 -2.21 0.00 0.00 174.62 172.72 2wbs n GLY 426 N 0.52 -1.72 0.20 6.08 0.00 -1.26 -3.73 105.19 105.27 2wbs n GLY 426 Ca -0.18 -1.47 0.04 0.00 0.00 0.00 0.00 46.02 44.41 2wbs n GLY 426 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wbs h GLU 427 N 0.00 0.00 -2.65 1.61 4.81 -2.00 -3.37 114.58 112.98 2wbs h GLU 427 Ca 0.00 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.63 2wbs h GLU 427 Cb 0.00 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 28.99 2wbs h GLU 427 CO 0.00 0.28 -0.84 0.15 -0.73 0.00 0.00 179.01 177.88 2wbs s LYS 428 N -4.36 1.22 0.00 1.92 1.02 -1.26 -4.42 119.74 113.87 2wbs s LYS 428 Ca -0.03 -2.22 0.07 0.00 0.02 0.00 0.00 55.97 53.81 2wbs s LYS 428 Cb 0.15 -1.95 0.32 0.00 -0.52 0.00 0.00 37.83 35.82 2wbs s LYS 428 CO 0.71 -1.30 1.22 -0.35 -0.92 0.00 0.00 175.35 174.71 2wbs n PRO 429 N 2.98 1.20 -3.73 -1.68 -0.04 -1.11 -4.27 135.00 128.35 2wbs n PRO 429 Ca 0.21 -0.30 -0.36 0.00 -0.04 0.00 0.00 63.50 63.00 2wbs n PRO 429 Cb 0.41 -1.13 -0.10 0.00 -0.04 0.00 0.00 33.50 32.64 2wbs n PRO 429 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2wbs s TYR 430 N -1.90 3.45 -0.21 0.54 2.02 -0.76 -3.99 117.35 116.50 2wbs s TYR 430 Ca 0.12 -2.63 -0.17 0.00 -0.37 0.00 0.00 57.07 54.02 2wbs s TYR 430 Cb 0.06 -3.22 -0.04 0.00 -0.40 0.00 0.00 41.96 38.37 2wbs s TYR 430 CO 0.09 -0.87 0.43 -1.01 -1.57 0.00 0.00 175.55 172.62 2wbs s HIS 431 N 0.24 3.35 0.24 2.71 3.76 -1.26 0.21 115.29 124.54 2wbs s HIS 431 Ca 0.15 0.63 -0.30 0.00 -0.15 0.00 0.00 55.06 55.38 2wbs s HIS 431 Cb -0.21 -2.58 -0.10 0.00 1.11 0.00 0.00 32.58 30.80 2wbs s HIS 431 CO -0.04 -0.08 1.51 0.00 -0.85 0.00 0.00 174.74 175.28 2wbs n ASP 433 N 2.64 3.82 -4.72 0.00 5.68 -1.26 -4.47 116.55 118.24 2wbs n ASP 433 Ca 0.09 -2.20 -0.42 0.00 -0.50 0.00 0.00 54.79 51.76 2wbs n ASP 433 Cb 0.39 -0.43 -0.03 0.00 -1.14 0.00 0.00 41.12 39.91 2wbs n ASP 433 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 2wbs s TRP 434 N -1.37 3.37 -0.28 2.11 -0.11 -1.26 -4.90 118.94 116.51 2wbs s TRP 434 Ca 0.40 1.20 -0.39 0.00 1.22 0.00 0.00 56.10 58.54 2wbs s TRP 434 Cb 0.24 -3.51 -0.15 0.00 -1.50 0.00 0.00 33.47 28.55 2wbs s TRP 434 CO 0.23 -1.64 1.86 -0.25 -4.62 0.00 0.00 176.95 172.53 2wbs n ASP 435 N 3.70 2.43 0.00 5.86 8.00 -1.26 -1.82 116.55 133.46 2wbs n ASP 435 Ca 0.09 0.93 0.00 0.00 0.71 0.00 0.00 54.79 56.52 2wbs n ASP 435 Cb 0.45 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 2wbs n ASP 435 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wbs n GLY 436 N 4.76 1.56 0.11 0.44 0.00 -1.26 -4.93 105.19 105.87 2wbs n GLY 436 Ca 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.28 2wbs n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wbs n GLY 438 N 0.53 1.35 3.75 0.00 0.00 -1.26 -5.03 105.19 104.53 2wbs n GLY 438 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 2wbs n GLY 438 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wbs s TRP 439 N -3.72 2.37 0.04 1.61 0.52 -1.26 -4.87 118.94 113.63 2wbs s TRP 439 Ca 0.00 1.42 0.03 0.00 0.02 0.00 0.00 56.10 57.57 2wbs s TRP 439 Cb 0.00 -3.71 -0.02 0.00 -1.15 0.00 0.00 33.47 28.59 2wbs s TRP 439 CO 0.00 -2.63 -0.09 -1.59 0.02 0.00 0.00 176.95 172.65 2wbs s LYS 440 N -2.93 0.62 0.04 4.98 -2.85 -1.26 -1.11 119.74 117.24 2wbs s LYS 440 Ca 0.71 -0.69 0.03 0.00 -1.00 0.00 0.00 55.97 55.02 2wbs s LYS 440 Cb -0.38 -0.50 -0.02 0.00 -2.06 0.00 0.00 37.83 34.87 2wbs s LYS 440 CO 0.44 0.11 -0.08 -0.06 0.10 0.00 0.00 175.35 175.86 2wbs s PHE 441 N -1.07 0.73 0.27 1.78 0.08 0.13 -4.98 117.98 114.93 2wbs s PHE 441 Ca -0.05 -0.44 0.07 0.00 0.12 0.00 0.00 56.93 56.63 2wbs s PHE 441 Cb -0.08 -0.44 0.36 0.00 -0.57 0.00 0.00 43.02 42.29 2wbs s PHE 441 CO 0.01 -0.06 1.62 0.00 -0.10 0.00 0.00 175.22 176.70 2wbs h ALA 442 N 4.66 0.98 -3.89 5.36 0.00 -1.86 -1.99 119.26 122.52 2wbs h ALA 442 Ca -0.36 -0.51 -0.55 0.00 0.00 0.00 0.00 54.91 53.49 2wbs h ALA 442 Cb 1.20 -0.09 -0.24 0.00 0.00 0.00 0.00 17.79 18.66 2wbs h ALA 442 CO 0.42 0.69 -0.83 1.03 0.00 0.00 0.00 179.25 180.56 2wbs s ARG 443 N -3.82 1.24 0.22 0.00 0.52 -1.26 -4.64 118.95 111.21 2wbs s ARG 443 Ca -0.03 -0.98 -0.06 0.00 -0.52 0.00 0.00 55.73 54.13 2wbs s ARG 443 Cb 0.13 -1.38 0.20 0.00 0.52 0.00 0.00 34.95 34.41 2wbs s ARG 443 CO 0.78 0.34 1.76 0.66 0.02 0.00 0.00 175.30 178.86 2wbs h SER 444 N 4.63 1.02 -0.74 0.23 4.64 -1.90 -2.29 113.55 119.15 2wbs h SER 444 Ca -0.43 -0.19 0.01 0.00 -0.47 0.00 0.00 61.79 60.71 2wbs h SER 444 Cb 1.17 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.96 2wbs h SER 444 CO 0.42 0.95 0.49 -2.24 -0.87 0.00 0.00 176.83 175.59 2wbs h ASP 445 N 1.04 0.84 -0.47 4.97 2.03 -1.96 -1.10 116.42 121.77 2wbs h ASP 445 Ca 0.23 -0.02 -0.04 0.00 -0.73 0.00 0.00 57.03 56.47 2wbs h ASP 445 Cb 0.31 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 38.58 2wbs h ASP 445 CO -0.01 0.61 0.15 -0.33 -1.03 0.00 0.00 179.24 178.63 2wbs h GLU 446 N 1.00 0.73 -0.30 4.15 5.08 -1.85 -0.63 114.58 122.76 2wbs h GLU 446 Ca 0.27 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2wbs h GLU 446 Cb -0.11 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2wbs h GLU 446 CO -0.06 0.70 0.14 1.25 -1.00 0.00 0.00 179.01 180.04 2wbs h LEU 447 N 0.63 0.40 -0.44 1.33 5.85 -1.15 -0.99 115.31 120.93 2wbs h LEU 447 Ca 0.15 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2wbs h LEU 447 Cb 0.27 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 2wbs h LEU 447 CO -0.00 0.42 0.21 0.74 -0.34 0.00 0.00 178.44 179.46 2wbs h THR 448 N 0.35 0.95 0.20 1.05 2.02 -1.01 0.42 112.91 116.89 2wbs h THR 448 Ca 0.10 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2wbs h THR 448 Cb 0.13 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2wbs h THR 448 CO -0.01 0.08 -0.10 -0.09 0.37 0.00 0.00 175.52 175.77 2wbs h ARG 449 N 0.42 -0.26 -0.57 6.66 2.43 -1.12 -3.10 114.38 118.84 2wbs h ARG 449 Ca 0.19 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.50 2wbs h ARG 449 Cb 0.12 0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 29.63 2wbs h ARG 449 CO -0.15 -0.08 -0.03 1.25 -1.51 0.00 0.00 179.97 179.45 2wbs h HIS 450 N -0.39 -0.10 0.00 2.20 2.76 -0.86 -2.94 115.15 115.82 2wbs h HIS 450 Ca -0.03 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 2wbs h HIS 450 Cb 0.30 0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.39 2wbs h HIS 450 CO -0.03 -0.17 -0.07 -0.92 -1.30 0.00 0.00 177.93 175.44 2wbs h TYR 451 N 0.09 0.00 -0.14 5.26 3.20 -0.84 0.50 116.97 125.03 2wbs h TYR 451 Ca 0.29 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.20 2wbs h TYR 451 Cb 0.46 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2wbs h TYR 451 CO -0.38 0.07 0.18 0.00 -1.64 0.00 0.00 178.16 176.40 2wbs h ARG 452 N 0.00 0.00 -0.09 1.82 3.08 -1.48 -0.78 114.38 116.93 2wbs h ARG 452 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2wbs h ARG 452 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2wbs h ARG 452 CO 0.01 0.00 -0.15 1.57 -1.07 0.00 0.00 179.97 180.32 2wbs h LYS 453 N 0.00 0.14 0.23 0.04 2.10 -1.04 0.12 116.57 118.16 2wbs h LYS 453 Ca 0.07 -0.03 -0.31 0.00 -2.00 0.00 0.00 60.65 58.38 2wbs h LYS 453 Cb 0.43 -0.02 0.04 0.00 -0.90 0.00 0.00 32.23 31.77 2wbs h LYS 453 CO -0.00 0.30 -1.35 0.45 -2.00 0.00 0.00 179.45 176.85 2wbs h HIS 454 N 0.14 0.90 0.00 0.07 3.86 -1.29 -3.35 115.15 115.48 2wbs h HIS 454 Ca 0.03 -0.66 -0.04 0.00 -1.16 0.00 0.00 60.37 58.54 2wbs h HIS 454 Cb 0.36 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 2wbs h HIS 454 CO 0.00 1.52 -0.77 1.79 0.86 0.00 0.00 177.93 181.33 2wbs h THR 455 N 0.04 0.19 -0.18 2.45 1.35 -1.48 -3.48 112.91 111.80 2wbs h THR 455 Ca -0.24 -1.32 -0.08 0.00 -0.55 0.00 0.00 66.41 64.23 2wbs h THR 455 Cb 2.07 1.82 -0.03 0.00 -1.73 0.00 0.00 68.15 70.28 2wbs h THR 455 CO 0.25 0.11 -0.07 0.61 -0.25 0.00 0.00 175.52 176.17 2wbs n GLY 456 N 1.20 0.67 3.68 5.82 0.00 0.40 -4.98 105.19 111.98 2wbs n GLY 456 Ca -0.00 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 2wbs n GLY 456 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wbs s HIS 457 N -2.09 2.32 -0.51 1.61 5.65 -1.21 -4.95 115.29 116.11 2wbs s HIS 457 Ca 0.00 0.34 0.05 0.00 0.25 0.00 0.00 55.06 55.70 2wbs s HIS 457 Cb 0.00 -3.91 0.19 0.00 -1.18 0.00 0.00 32.58 27.68 2wbs s HIS 457 CO 0.00 -3.67 0.45 0.54 -0.65 0.00 0.00 174.74 171.41 2wbs n ARG 458 N 6.10 0.95 0.02 2.88 1.74 -1.26 -4.32 116.66 122.77 2wbs n ARG 458 Ca 0.16 -3.68 0.14 0.00 -0.77 0.00 0.00 57.85 53.69 2wbs n ARG 458 Cb 0.42 -1.82 0.56 0.00 -1.02 0.00 0.00 32.46 30.60 2wbs n ARG 458 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2wbs n PRO 459 N 2.16 0.06 -2.80 5.56 -0.04 -1.07 -4.15 135.00 134.72 2wbs n PRO 459 Ca 0.26 0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 63.34 2wbs n PRO 459 Cb 0.45 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 32.31 2wbs n PRO 459 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2wbs s PHE 460 N -3.02 2.86 -0.13 0.54 0.08 -0.45 -4.94 117.98 112.92 2wbs s PHE 460 Ca 0.13 -1.06 -0.23 0.00 0.12 0.00 0.00 56.93 55.89 2wbs s PHE 460 Cb 0.17 -4.41 -0.03 0.00 -0.57 0.00 0.00 43.02 38.19 2wbs s PHE 460 CO 0.55 -1.66 0.70 -0.65 -0.10 0.00 0.00 175.22 174.06 2wbs s GLN 461 N 3.63 4.33 0.23 0.44 -0.21 -1.26 -0.49 119.66 126.32 2wbs s GLN 461 Ca 0.35 0.81 -0.31 0.00 0.02 0.00 0.00 55.36 56.23 2wbs s GLN 461 Cb -0.05 -3.52 -0.10 0.00 1.00 0.00 0.00 33.01 30.34 2wbs s GLN 461 CO -0.06 -0.12 1.51 0.00 -2.12 0.00 0.00 175.29 174.51 2wbs n GLN 463 N 2.87 0.01 0.00 0.00 1.13 -1.26 -3.88 117.38 116.25 2wbs n GLN 463 Ca 0.09 0.01 0.07 0.00 -1.94 0.00 0.00 57.00 55.23 2wbs n GLN 463 Cb 0.39 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 29.23 2wbs n GLN 463 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2wbs n LYS 464 N -1.53 1.72 -2.80 -1.09 5.02 -1.26 -5.04 118.16 113.18 2wbs n LYS 464 Ca 0.06 -0.82 -0.05 0.00 -2.02 0.00 0.00 58.31 55.48 2wbs n LYS 464 Cb 0.34 -1.23 0.02 0.00 -0.02 0.00 0.00 35.03 34.14 2wbs n LYS 464 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wbs n ASP 466 N -1.30 2.58 -4.78 0.00 8.00 -1.26 -4.44 116.55 115.36 2wbs n ASP 466 Ca -0.05 -1.92 -0.37 0.00 0.71 0.00 0.00 54.79 53.16 2wbs n ASP 466 Cb 0.38 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 41.18 2wbs n ASP 466 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2wbs s ARG 467 N -1.48 4.24 0.10 -1.24 1.81 -1.26 -4.92 118.95 116.20 2wbs s ARG 467 Ca 0.34 1.54 0.01 0.00 -1.72 0.00 0.00 55.73 55.90 2wbs s ARG 467 Cb 0.19 -2.63 -0.04 0.00 -0.45 0.00 0.00 34.95 32.01 2wbs s ARG 467 CO 0.26 -0.08 -0.04 0.00 -0.68 0.00 0.00 175.30 174.76 2wbs s ALA 468 N -1.59 0.91 0.07 2.13 0.00 -1.26 -1.38 121.76 120.64 2wbs s ALA 468 Ca 0.56 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2wbs s ALA 468 Cb -0.23 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2wbs s ALA 468 CO 0.29 -0.30 -0.05 -0.06 0.00 0.00 0.00 175.76 175.63 2wbs s PHE 469 N -3.74 0.69 -0.15 0.00 0.08 0.36 -4.98 117.98 110.24 2wbs s PHE 469 Ca 0.14 -0.86 0.28 0.00 0.12 0.00 0.00 56.93 56.60 2wbs s PHE 469 Cb 0.06 -0.43 0.83 0.00 -0.57 0.00 0.00 43.02 42.91 2wbs s PHE 469 CO -0.04 -0.21 1.79 0.66 -0.10 0.00 0.00 175.22 177.32 2wbs h SER 470 N 3.41 0.00 -4.79 1.36 4.64 -1.86 -1.13 113.55 115.18 2wbs h SER 470 Ca -0.35 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.76 2wbs h SER 470 Cb 1.17 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.04 2wbs h SER 470 CO 0.59 0.03 -0.72 -0.13 -0.87 0.00 0.00 176.83 175.74 2wbs s ARG 471 N -3.44 0.37 0.25 4.77 0.52 -1.26 -4.74 118.95 115.43 2wbs s ARG 471 Ca 0.04 -0.61 -0.05 0.00 -0.52 0.00 0.00 55.73 54.59 2wbs s ARG 471 Cb 0.07 -0.06 0.29 0.00 0.52 0.00 0.00 34.95 35.77 2wbs s ARG 471 CO 0.61 -0.01 1.85 0.66 0.02 0.00 0.00 175.30 178.44 2wbs h SER 472 N 4.73 1.01 -0.10 0.23 4.64 -1.97 -2.55 113.55 119.56 2wbs h SER 472 Ca -0.33 -0.11 -0.11 0.00 -0.47 0.00 0.00 61.79 60.77 2wbs h SER 472 Cb 1.21 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 2wbs h SER 472 CO 0.42 0.85 -0.30 -2.24 -0.87 0.00 0.00 176.83 174.69 2wbs h ASP 473 N 1.12 0.58 -0.52 4.97 2.03 -1.99 -0.61 116.42 121.99 2wbs h ASP 473 Ca 0.27 -0.22 -0.02 0.00 -0.73 0.00 0.00 57.03 56.33 2wbs h ASP 473 Cb 0.10 -0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 38.42 2wbs h ASP 473 CO -0.04 0.85 0.25 0.45 -1.03 0.00 0.00 179.24 179.72 2wbs h HIS 474 N 0.49 0.75 -0.35 4.15 3.86 -1.95 -1.40 115.15 120.69 2wbs h HIS 474 Ca 0.06 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2wbs h HIS 474 Cb 0.76 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 2wbs h HIS 474 CO 0.03 0.59 0.17 1.25 0.86 0.00 0.00 177.93 180.84 2wbs h LEU 475 N 0.70 0.46 -1.21 2.43 5.85 -1.07 -1.01 115.31 121.45 2wbs h LEU 475 Ca 0.18 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2wbs h LEU 475 Cb 0.12 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2wbs h LEU 475 CO -0.02 0.45 0.54 0.00 -0.34 0.00 0.00 178.44 179.06 2wbs h ALA 476 N 1.03 1.46 -0.25 1.25 0.00 -0.96 0.10 119.26 121.89 2wbs h ALA 476 Ca 0.12 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2wbs h ALA 476 Cb 0.11 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2wbs h ALA 476 CO -0.02 0.49 -0.21 -0.07 0.00 0.00 0.00 179.25 179.44 2wbs h LEU 477 N 1.06 0.61 -0.26 0.00 3.38 -1.04 -3.21 115.31 115.85 2wbs h LEU 477 Ca 0.31 -0.46 0.06 0.00 0.09 0.00 0.00 57.88 57.88 2wbs h LEU 477 Cb -0.06 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.45 2wbs h LEU 477 CO -0.08 0.94 -0.25 -0.74 0.09 0.00 0.00 178.44 178.41 2wbs h HIS 478 N 0.29 -0.66 -0.89 1.13 2.76 -0.71 -2.34 115.15 114.74 2wbs h HIS 478 Ca 0.04 0.04 0.26 0.00 -2.20 0.00 0.00 60.37 58.51 2wbs h HIS 478 Cb 0.76 0.33 -0.04 0.00 1.55 0.00 0.00 27.41 30.01 2wbs h HIS 478 CO 0.07 -0.32 0.95 0.52 -1.30 0.00 0.00 177.93 177.85 2wbs h MET 479 N -0.24 0.00 0.00 5.26 2.86 -0.99 0.36 114.93 122.18 2wbs h MET 479 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2wbs h MET 479 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2wbs h MET 479 CO -0.41 0.00 0.00 0.87 1.06 0.00 0.00 176.91 178.43 2wbs h LYS 480 N 0.00 0.00 0.00 1.72 1.57 -1.50 -1.34 116.57 117.02 2wbs h LYS 480 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 2wbs h LYS 480 Cb 2.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.63 2wbs h LYS 480 CO -0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 2wbs h ARG 481 N 0.00 0.00 -0.34 3.15 3.08 -0.44 -2.91 114.38 116.93 2wbs h ARG 481 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wbs h ARG 481 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2wbs h ARG 481 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.62 2wbs n HIS 482 N -2.84 0.44 1.69 3.04 8.25 -0.51 -5.20 115.22 120.10 2wbs n HIS 482 Ca 0.01 -0.22 0.15 0.00 -0.26 0.00 0.00 57.72 57.40 2wbs n HIS 482 Cb 0.28 0.00 0.69 0.00 1.12 0.00 0.00 29.99 32.08 2wbs n HIS 482 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17