#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wj2 n GLN 400 N 0.00 0.38 -1.18 7.34 6.02 -1.26 -4.95 117.38 123.74 1wj2 n GLN 400 Ca 0.00 -2.71 0.04 0.00 -0.01 0.00 0.00 57.00 54.33 1wj2 n GLN 400 Cb 0.00 -1.55 0.07 0.00 1.02 0.00 0.00 30.24 29.78 1wj2 n GLN 400 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1wj2 n THR 401 N 2.68 0.57 -2.82 5.09 -2.24 -1.26 -4.81 114.28 111.48 1wj2 n THR 401 Ca 0.24 -1.48 0.00 0.00 -2.27 0.00 0.00 64.05 60.54 1wj2 n THR 401 Cb 0.52 0.64 0.05 0.00 -2.10 0.00 0.00 70.33 69.44 1wj2 n THR 401 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wj2 n THR 402 N 0.03 1.17 -4.04 4.28 -2.24 -1.26 -5.07 114.28 107.15 1wj2 n THR 402 Ca 0.09 -2.77 -0.34 0.00 -2.27 0.00 0.00 64.05 58.75 1wj2 n THR 402 Cb 1.00 1.29 -0.14 0.00 -2.10 0.00 0.00 70.33 70.37 1wj2 n THR 402 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wj2 s SER 403 N -3.65 4.06 -0.15 3.42 1.04 -1.26 -5.09 113.70 112.06 1wj2 s SER 403 Ca 0.27 -0.43 -0.22 0.00 0.48 0.00 0.00 55.95 56.05 1wj2 s SER 403 Cb 0.33 -1.68 -0.03 0.00 0.10 0.00 0.00 66.02 64.74 1wj2 s SER 403 CO -0.05 0.01 0.67 -0.70 0.98 0.00 0.00 173.24 174.15 1wj2 s GLU 404 N 1.31 4.30 0.79 4.02 2.12 -1.26 -5.06 118.70 124.92 1wj2 s GLU 404 Ca 0.04 0.75 -0.03 0.00 0.36 0.00 0.00 54.97 56.09 1wj2 s GLU 404 Cb -0.14 -3.53 0.16 0.00 0.26 0.00 0.00 34.13 30.88 1wj2 s GLU 404 CO -0.04 -0.14 1.08 0.14 -0.54 0.00 0.00 175.26 175.76 1wj2 s VAL 405 N 1.54 2.02 -0.13 3.70 -7.23 -1.26 -5.10 120.40 113.93 1wj2 s VAL 405 Ca 0.33 -0.52 0.02 0.00 -1.81 0.00 0.00 61.98 60.01 1wj2 s VAL 405 Cb -0.16 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.29 1wj2 s VAL 405 CO 0.13 0.00 -0.20 -1.81 -0.31 0.00 0.00 175.10 172.90 1wj2 s ASP 406 N -4.83 2.95 -0.11 4.85 1.11 -1.26 -5.10 116.67 114.28 1wj2 s ASP 406 Ca 0.69 -0.56 -0.30 0.00 0.18 0.00 0.00 52.55 52.57 1wj2 s ASP 406 Cb -0.04 -1.36 -0.02 0.00 1.07 0.00 0.00 42.92 42.57 1wj2 s ASP 406 CO 0.47 0.07 1.18 -0.22 1.18 0.00 0.00 175.17 177.84 1wj2 s LEU 407 N 0.85 4.23 -0.76 1.23 1.98 -1.26 -4.93 118.68 120.02 1wj2 s LEU 407 Ca -0.07 1.70 -0.26 0.00 -2.89 0.00 0.00 54.13 52.61 1wj2 s LEU 407 Cb -0.15 -3.55 -0.10 0.00 0.66 0.00 0.00 46.19 43.05 1wj2 s LEU 407 CO -0.02 -0.63 2.27 -0.76 -1.89 0.00 0.00 176.35 175.32 1wj2 s LEU 408 N 2.66 3.04 0.55 -0.68 1.02 -1.26 -4.92 118.68 119.08 1wj2 s LEU 408 Ca 0.53 0.04 -0.22 0.00 0.02 0.00 0.00 54.13 54.51 1wj2 s LEU 408 Cb -0.22 -2.54 -0.05 0.00 0.02 0.00 0.00 46.19 43.40 1wj2 s LEU 408 CO 0.18 -3.38 1.36 -0.62 0.02 0.00 0.00 176.35 173.90 1wj2 s ASP 409 N 10.22 5.27 -0.03 2.29 -1.08 -1.26 -4.95 116.67 127.13 1wj2 s ASP 409 Ca 0.86 2.76 0.20 0.00 -0.52 0.00 0.00 52.55 55.85 1wj2 s ASP 409 Cb -0.12 -2.64 0.35 0.00 -1.46 0.00 0.00 42.92 39.05 1wj2 s ASP 409 CO 0.09 -1.57 1.14 -0.90 0.52 0.00 0.00 175.17 174.45 1wj2 n ASP 410 N -1.03 0.57 0.00 -0.34 5.75 -1.26 -5.03 116.55 115.21 1wj2 n ASP 410 Ca 0.10 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1wj2 n ASP 410 Cb 0.45 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1wj2 n ASP 410 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wj2 n GLY 411 N 0.25 2.28 3.88 6.12 0.00 -1.26 -5.08 105.19 111.38 1wj2 n GLY 411 Ca -0.02 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1wj2 n GLY 411 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wj2 s TYR 412 N 0.00 3.49 -0.77 1.61 2.02 -1.26 -4.64 117.35 117.79 1wj2 s TYR 412 Ca 0.00 0.29 -0.26 0.00 -0.37 0.00 0.00 57.07 56.73 1wj2 s TYR 412 Cb 0.00 -1.79 0.03 0.00 -0.40 0.00 0.00 41.96 39.81 1wj2 s TYR 412 CO 0.00 0.61 1.31 0.50 -1.57 0.00 0.00 175.55 176.41 1wj2 s ARG 413 N -2.10 3.23 0.04 -0.62 3.52 -1.26 -4.96 118.95 116.80 1wj2 s ARG 413 Ca 0.29 -0.34 -0.03 0.00 -0.13 0.00 0.00 55.73 55.52 1wj2 s ARG 413 Cb -0.13 -4.34 -0.04 0.00 -1.56 0.00 0.00 34.95 28.88 1wj2 s ARG 413 CO 0.21 -2.17 0.24 -1.58 -0.81 0.00 0.00 175.30 171.18 1wj2 s TRP 414 N 5.71 3.54 -0.01 5.12 0.52 -1.26 -1.73 118.94 130.82 1wj2 s TRP 414 Ca 0.37 0.40 0.05 0.00 0.02 0.00 0.00 56.10 56.94 1wj2 s TRP 414 Cb -0.07 -1.87 -0.01 0.00 -1.15 0.00 0.00 33.47 30.37 1wj2 s TRP 414 CO 0.12 0.59 -0.17 0.50 0.02 0.00 0.00 176.95 178.01 1wj2 s ARG 415 N -2.16 1.39 -0.15 4.98 6.06 -0.46 -4.84 118.95 123.78 1wj2 s ARG 415 Ca 0.31 -0.62 -0.22 0.00 -2.50 0.00 0.00 55.73 52.71 1wj2 s ARG 415 Cb -0.13 -1.35 -0.03 0.00 0.06 0.00 0.00 34.95 33.51 1wj2 s ARG 415 CO 0.22 0.37 0.67 0.21 -2.50 0.00 0.00 175.30 174.26 1wj2 s LYS 416 N -0.41 4.31 -0.09 5.12 2.47 -1.26 -1.78 119.74 128.10 1wj2 s LYS 416 Ca 0.07 0.74 0.04 0.00 -1.56 0.00 0.00 55.97 55.26 1wj2 s LYS 416 Cb -0.07 -3.52 -0.08 0.00 -1.46 0.00 0.00 37.83 32.70 1wj2 s LYS 416 CO -0.01 -0.12 -0.03 2.48 0.16 0.00 0.00 175.35 177.84 1wj2 n TYR 417 N 4.55 0.00 -3.60 4.03 0.18 -1.24 -5.05 117.16 116.04 1wj2 n TYR 417 Ca -0.01 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.68 1wj2 n TYR 417 Cb 0.50 -0.39 -0.05 0.00 -0.38 0.00 0.00 39.34 39.02 1wj2 n TYR 417 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1wj2 s GLY 418 N -4.44 -0.18 0.28 -7.48 0.00 -1.26 -5.13 107.32 89.11 1wj2 s GLY 418 Ca -0.08 2.28 0.08 0.00 0.00 0.00 0.00 44.72 46.99 1wj2 s GLY 418 CO 0.28 1.17 -0.08 -0.86 0.00 0.00 0.00 173.10 173.62 1wj2 s GLN 419 N -0.89 1.58 0.03 2.90 -2.07 -1.26 -3.11 119.66 116.84 1wj2 s GLN 419 Ca 0.01 -1.79 0.05 0.00 -1.82 0.00 0.00 55.36 51.81 1wj2 s GLN 419 Cb -0.01 -1.28 -0.02 0.00 -1.09 0.00 0.00 33.01 30.61 1wj2 s GLN 419 CO -0.01 0.09 -0.14 0.15 -1.32 0.00 0.00 175.29 174.06 1wj2 s LYS 420 N -3.68 0.93 0.13 9.60 -0.14 0.83 -4.99 119.74 122.42 1wj2 s LYS 420 Ca 0.29 -0.69 0.09 0.00 -1.36 0.00 0.00 55.97 54.29 1wj2 s LYS 420 Cb 0.02 -0.93 -0.04 0.00 -1.68 0.00 0.00 37.83 35.21 1wj2 s LYS 420 CO 0.12 0.23 -0.14 0.54 -0.76 0.00 0.00 175.35 175.34 1wj2 s VAL 421 N -0.76 3.04 -0.03 3.17 0.11 -1.26 0.57 120.40 125.25 1wj2 s VAL 421 Ca 0.02 -1.50 0.00 0.00 -2.93 0.00 0.00 61.98 57.57 1wj2 s VAL 421 Cb -0.07 -2.43 0.03 0.00 -1.53 0.00 0.00 36.38 32.37 1wj2 s VAL 421 CO 0.01 0.04 0.01 -0.69 -3.33 0.00 0.00 175.10 171.14 1wj2 s VAL 422 N -1.32 0.12 0.29 2.04 1.01 -1.26 -4.98 120.40 116.30 1wj2 s VAL 422 Ca 0.21 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.33 1wj2 s VAL 422 Cb -0.10 -0.22 0.07 0.00 0.00 0.00 0.00 36.38 36.13 1wj2 s VAL 422 CO 0.12 0.13 1.74 0.11 0.00 0.00 0.00 175.10 177.20 1wj2 h LYS 423 N 7.19 0.40 0.00 2.72 6.56 -2.00 -2.50 116.57 128.95 1wj2 h LYS 423 Ca -0.43 -0.15 0.00 0.00 -1.06 0.00 0.00 60.65 59.01 1wj2 h LYS 423 Cb 1.13 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.77 1wj2 h LYS 423 CO 0.48 0.65 0.00 0.41 -2.06 0.00 0.00 179.45 178.93 1wj2 n GLY 424 N -0.39 -1.42 3.37 3.86 0.00 -1.26 -4.71 105.19 104.65 1wj2 n GLY 424 Ca -0.01 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1wj2 n GLY 424 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wj2 s ASN 425 N -3.97 3.72 0.31 1.61 -0.87 -0.94 -4.91 114.94 109.89 1wj2 s ASN 425 Ca 0.08 -0.34 0.15 0.00 -1.57 0.00 0.00 52.86 51.18 1wj2 s ASN 425 Cb 0.12 -1.11 0.40 0.00 -0.02 0.00 0.00 41.25 40.65 1wj2 s ASN 425 CO 0.46 0.25 1.61 1.55 -2.57 0.00 0.00 177.10 178.40 1wj2 h PRO 426 N 6.03 0.00 -5.84 -0.60 0.13 -1.84 -3.42 132.00 126.46 1wj2 h PRO 426 Ca -0.35 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.11 1wj2 h PRO 426 Cb 1.18 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.21 1wj2 h PRO 426 CO 0.51 0.52 -0.55 0.71 -0.23 0.00 0.00 178.00 178.96 1wj2 s TYR 427 N -3.39 3.38 0.81 1.56 2.02 -1.26 -5.08 117.35 115.38 1wj2 s TYR 427 Ca 0.01 0.34 -0.12 0.00 -0.37 0.00 0.00 57.07 56.93 1wj2 s TYR 427 Cb 0.11 -1.84 0.08 0.00 -0.40 0.00 0.00 41.96 39.90 1wj2 s TYR 427 CO 0.73 0.60 1.12 -1.25 -1.57 0.00 0.00 175.55 175.18 1wj2 s PRO 428 N -1.18 2.01 -0.33 -1.71 0.04 -1.26 -4.72 135.00 127.85 1wj2 s PRO 428 Ca 0.17 0.45 -0.09 0.00 0.04 0.00 0.00 61.00 61.56 1wj2 s PRO 428 Cb -0.12 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1wj2 s PRO 428 CO 0.06 -1.63 0.15 1.03 0.04 0.00 0.00 177.00 176.66 1wj2 s ARG 429 N -5.29 3.03 -0.21 4.56 0.52 0.19 -4.78 118.95 116.98 1wj2 s ARG 429 Ca 0.61 -0.92 -0.09 0.00 -0.52 0.00 0.00 55.73 54.81 1wj2 s ARG 429 Cb -0.13 -3.57 -0.04 0.00 0.52 0.00 0.00 34.95 31.72 1wj2 s ARG 429 CO 0.53 -0.55 0.10 -1.12 0.02 0.00 0.00 175.30 174.28 1wj2 s SER 430 N 1.55 5.76 -0.10 0.23 0.01 -1.13 -0.12 113.70 119.90 1wj2 s SER 430 Ca 0.03 0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.35 1wj2 s SER 430 Cb -0.18 -2.02 -0.02 0.00 0.21 0.00 0.00 66.02 64.01 1wj2 s SER 430 CO 0.05 0.11 -0.11 -0.31 0.41 0.00 0.00 173.24 173.39 1wj2 s TYR 431 N 0.79 2.83 0.20 2.43 2.02 -1.18 -1.69 117.35 122.75 1wj2 s TYR 431 Ca 0.05 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.46 1wj2 s TYR 431 Cb -0.13 -1.77 -0.01 0.00 -0.40 0.00 0.00 41.96 39.66 1wj2 s TYR 431 CO 0.02 0.05 0.06 0.66 -1.57 0.00 0.00 175.55 174.77 1wj2 n TYR 432 N 2.89 0.13 -3.61 2.71 4.02 -0.72 -3.60 117.16 118.98 1wj2 n TYR 432 Ca -0.18 -1.22 -0.02 0.00 -0.01 0.00 0.00 57.90 56.47 1wj2 n TYR 432 Cb 0.53 -0.02 -0.06 0.00 -0.02 0.00 0.00 39.34 39.76 1wj2 n TYR 432 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 1wj2 s LYS 433 N -2.75 0.41 -0.58 -0.72 0.00 -0.73 -1.69 119.74 113.68 1wj2 s LYS 433 Ca 0.08 0.76 -0.26 0.00 0.00 0.00 0.00 55.97 56.55 1wj2 s LYS 433 Cb 0.00 0.16 -0.06 0.00 0.00 0.00 0.00 37.83 37.94 1wj2 s LYS 433 CO 0.06 -0.09 2.19 0.00 0.00 0.00 0.00 175.35 177.50 1wj2 n THR 435 N 7.76 4.95 -3.64 0.00 5.66 -0.71 -2.65 114.28 125.65 1wj2 n THR 435 Ca 0.32 -5.22 -0.20 0.00 -3.05 0.00 0.00 64.05 55.90 1wj2 n THR 435 Cb 0.53 -2.17 -0.01 0.00 -1.55 0.00 0.00 70.33 67.12 1wj2 n THR 435 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1wj2 s THR 436 N -1.44 4.48 -0.84 1.09 2.01 -0.86 -4.97 115.64 115.10 1wj2 s THR 436 Ca 0.36 -0.99 -0.21 0.00 0.31 0.00 0.00 61.69 61.16 1wj2 s THR 436 Cb 0.08 -3.56 -0.20 0.00 0.01 0.00 0.00 72.50 68.83 1wj2 s THR 436 CO 0.05 -0.22 2.35 -2.65 -0.69 0.00 0.00 174.62 173.46 1wj2 n PRO 437 N -1.56 0.40 0.00 4.92 -0.02 -1.26 -0.73 135.00 136.75 1wj2 n PRO 437 Ca -0.03 -0.48 0.00 0.00 -2.02 0.00 0.00 63.50 60.97 1wj2 n PRO 437 Cb 0.58 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1wj2 n PRO 437 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wj2 n GLY 438 N 6.32 3.11 3.68 -1.23 0.00 -1.26 -5.00 105.19 110.82 1wj2 n GLY 438 Ca 0.54 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.14 1wj2 n GLY 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wj2 n GLY 440 N 3.29 4.49 3.84 0.00 0.00 -1.25 -2.03 105.19 113.54 1wj2 n GLY 440 Ca 0.04 -2.29 -0.35 0.00 0.00 0.00 0.00 46.02 43.42 1wj2 n GLY 440 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wj2 s VAL 441 N -3.04 4.83 -0.12 1.61 1.01 -1.09 -4.92 120.40 118.69 1wj2 s VAL 441 Ca 0.43 0.85 0.01 0.00 0.00 0.00 0.00 61.98 63.27 1wj2 s VAL 441 Cb 0.26 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1wj2 s VAL 441 CO -0.09 0.20 -0.14 -0.13 0.00 0.00 0.00 175.10 174.94 1wj2 s ARG 442 N -2.06 2.18 0.13 2.72 1.81 -0.65 0.10 118.95 123.19 1wj2 s ARG 442 Ca 0.40 -0.53 0.10 0.00 -1.72 0.00 0.00 55.73 53.98 1wj2 s ARG 442 Cb -0.15 -1.93 -0.04 0.00 -0.45 0.00 0.00 34.95 32.38 1wj2 s ARG 442 CO 0.19 -0.14 -0.24 -1.59 -0.68 0.00 0.00 175.30 172.85 1wj2 s LYS 443 N 1.21 1.54 -0.15 3.54 -2.85 -0.68 -0.20 119.74 122.14 1wj2 s LYS 443 Ca -0.02 -1.31 0.02 0.00 -1.00 0.00 0.00 55.97 53.66 1wj2 s LYS 443 Cb -0.14 -1.97 0.01 0.00 -2.06 0.00 0.00 37.83 33.67 1wj2 s LYS 443 CO -0.05 0.46 -0.20 -1.01 0.10 0.00 0.00 175.35 174.64 1wj2 s HIS 444 N -1.14 2.70 -0.58 1.78 3.76 -0.79 -1.76 115.29 119.27 1wj2 s HIS 444 Ca 0.16 -1.31 -0.12 0.00 -0.15 0.00 0.00 55.06 53.64 1wj2 s HIS 444 Cb -0.10 -1.84 0.15 0.00 1.11 0.00 0.00 32.58 31.90 1wj2 s HIS 444 CO 0.08 -0.60 0.50 0.08 -0.85 0.00 0.00 174.74 173.94 1wj2 s VAL 445 N 0.86 4.84 0.09 -0.90 1.01 -0.68 -2.86 120.40 122.75 1wj2 s VAL 445 Ca -0.06 -1.90 0.09 0.00 0.00 0.00 0.00 61.98 60.12 1wj2 s VAL 445 Cb -0.15 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1wj2 s VAL 445 CO -0.02 -0.87 -0.23 -1.61 0.00 0.00 0.00 175.10 172.37 1wj2 s GLU 446 N 1.11 1.72 -0.18 2.72 2.02 -1.09 -2.84 118.70 122.15 1wj2 s GLU 446 Ca 0.08 -1.18 -0.00 0.00 0.02 0.00 0.00 54.97 53.88 1wj2 s GLU 446 Cb -0.24 -2.03 0.01 0.00 0.10 0.00 0.00 34.13 31.97 1wj2 s GLU 446 CO -0.01 0.49 -0.15 1.03 0.02 0.00 0.00 175.26 176.64 1wj2 s ARG 447 N -1.79 3.15 -0.36 1.61 3.00 -1.26 -2.11 118.95 121.18 1wj2 s ARG 447 Ca 0.15 -0.76 -0.29 0.00 0.00 0.00 0.00 55.73 54.83 1wj2 s ARG 447 Cb -0.10 -2.69 0.00 0.00 0.00 0.00 0.00 34.95 32.16 1wj2 s ARG 447 CO 0.06 -0.14 1.46 0.00 0.00 0.00 0.00 175.30 176.68 1wj2 s ALA 448 N 1.21 3.11 -0.13 2.13 0.00 0.22 -4.89 121.76 123.40 1wj2 s ALA 448 Ca 0.02 0.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.75 1wj2 s ALA 448 Cb -0.14 -3.91 -0.22 0.00 0.00 0.00 0.00 23.12 18.85 1wj2 s ALA 448 CO -0.07 -2.26 0.67 0.00 0.00 0.00 0.00 175.76 174.10 1wj2 h ALA 449 N 10.71 -0.00 -0.64 0.00 0.00 -1.93 -3.12 119.26 124.28 1wj2 h ALA 449 Ca -0.29 -0.42 0.16 0.00 0.00 0.00 0.00 54.91 54.37 1wj2 h ALA 449 Cb 1.12 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1wj2 h ALA 449 CO 1.06 -0.01 0.45 1.79 0.00 0.00 0.00 179.25 182.54 1wj2 h THR 450 N -0.99 0.73 -3.37 0.00 1.35 -1.90 -3.42 112.91 105.31 1wj2 h THR 450 Ca -0.00 -0.04 -0.49 0.00 -0.55 0.00 0.00 66.41 65.32 1wj2 h THR 450 Cb 0.84 0.59 0.02 0.00 -1.73 0.00 0.00 68.15 67.87 1wj2 h THR 450 CO 0.00 0.02 0.01 -1.81 -0.25 0.00 0.00 175.52 173.49 1wj2 s ASP 451 N -6.07 6.34 -0.54 5.36 1.11 -1.25 -4.94 116.67 116.69 1wj2 s ASP 451 Ca -0.06 0.83 -0.15 0.00 0.18 0.00 0.00 52.55 53.35 1wj2 s ASP 451 Cb 0.20 -2.20 -0.14 0.00 1.07 0.00 0.00 42.92 41.86 1wj2 s ASP 451 CO 0.75 -0.42 1.75 -0.81 1.18 0.00 0.00 175.17 177.62 1wj2 n PRO 452 N -1.77 1.13 -2.53 8.23 -0.04 -1.26 -4.23 135.00 134.53 1wj2 n PRO 452 Ca -0.01 -1.34 -0.05 0.00 -0.04 0.00 0.00 63.50 62.07 1wj2 n PRO 452 Cb 0.55 -2.54 0.01 0.00 -0.04 0.00 0.00 33.50 31.47 1wj2 n PRO 452 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wj2 n LYS 453 N 6.02 -1.58 -3.86 0.54 0.00 -1.25 -5.02 118.16 113.02 1wj2 n LYS 453 Ca 0.39 1.59 -0.36 0.00 0.00 0.00 0.00 58.31 59.93 1wj2 n LYS 453 Cb 0.26 -4.59 -0.13 0.00 0.00 0.00 0.00 35.03 30.56 1wj2 n LYS 453 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wj2 s ALA 454 N -2.37 2.89 -0.89 3.14 0.00 -1.18 -4.96 121.76 118.39 1wj2 s ALA 454 Ca 0.14 -1.48 -0.19 0.00 0.00 0.00 0.00 51.96 50.43 1wj2 s ALA 454 Cb -0.04 -1.93 0.13 0.00 0.00 0.00 0.00 23.12 21.27 1wj2 s ALA 454 CO 0.56 -0.91 1.08 0.08 0.00 0.00 0.00 175.76 176.57 1wj2 s VAL 455 N 1.40 4.74 -0.36 0.00 1.01 -1.26 0.72 120.40 126.65 1wj2 s VAL 455 Ca 0.01 -1.49 -0.21 0.00 0.00 0.00 0.00 61.98 60.29 1wj2 s VAL 455 Cb -0.17 -4.74 0.00 0.00 0.00 0.00 0.00 36.38 31.47 1wj2 s VAL 455 CO -0.01 -1.46 0.69 0.54 0.00 0.00 0.00 175.10 174.85 1wj2 s VAL 456 N 2.68 4.84 -0.13 2.92 0.11 -0.90 -5.00 120.40 124.92 1wj2 s VAL 456 Ca 0.30 0.70 0.03 0.00 -2.93 0.00 0.00 61.98 60.07 1wj2 s VAL 456 Cb -0.07 -4.12 0.01 0.00 -1.53 0.00 0.00 36.38 30.67 1wj2 s VAL 456 CO -0.07 -0.35 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.25 1wj2 s THR 457 N 2.83 1.96 -0.25 5.04 2.01 -1.26 -2.67 115.64 123.30 1wj2 s THR 457 Ca 0.27 -0.93 -0.06 0.00 0.31 0.00 0.00 61.69 61.28 1wj2 s THR 457 Cb -0.14 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.62 1wj2 s THR 457 CO 0.15 0.53 0.03 -0.89 -0.69 0.00 0.00 174.62 173.76 1wj2 s THR 458 N 0.77 3.92 -0.56 -0.82 2.01 -1.14 -4.95 115.64 114.88 1wj2 s THR 458 Ca -0.09 -0.38 -0.17 0.00 0.31 0.00 0.00 61.69 61.36 1wj2 s THR 458 Cb -0.16 -2.86 0.12 0.00 0.01 0.00 0.00 72.50 69.61 1wj2 s THR 458 CO -0.00 0.32 0.57 -0.31 -0.69 0.00 0.00 174.62 174.51 1wj2 s TYR 459 N 1.55 3.16 -0.64 4.92 1.51 -1.26 -1.88 117.35 124.71 1wj2 s TYR 459 Ca 0.05 -1.17 -0.22 0.00 -1.01 0.00 0.00 57.07 54.72 1wj2 s TYR 459 Cb -0.15 -3.88 0.07 0.00 -0.11 0.00 0.00 41.96 37.89 1wj2 s TYR 459 CO 0.01 -1.12 0.93 -1.21 -1.11 0.00 0.00 175.55 173.06 1wj2 s GLU 460 N 1.99 3.13 0.00 -0.62 0.41 0.71 -4.88 118.70 119.45 1wj2 s GLU 460 Ca 0.06 -0.79 0.00 0.00 -0.41 0.00 0.00 54.97 53.83 1wj2 s GLU 460 Cb -0.28 -4.20 0.00 0.00 -1.78 0.00 0.00 34.13 27.87 1wj2 s GLU 460 CO 0.04 -1.74 0.00 0.41 -0.49 0.00 0.00 175.26 173.48 1wj2 n GLY 461 N 5.29 2.57 3.27 -1.39 0.00 -1.26 -1.64 105.19 112.02 1wj2 n GLY 461 Ca -0.04 -2.05 -0.28 0.00 0.00 0.00 0.00 46.02 43.65 1wj2 n GLY 461 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wj2 s LYS 462 N -2.39 1.68 0.70 1.61 3.01 -1.26 -4.91 119.74 118.17 1wj2 s LYS 462 Ca 0.00 -0.90 -0.15 0.00 -1.01 0.00 0.00 55.97 53.92 1wj2 s LYS 462 Cb 0.00 -1.71 0.02 0.00 -1.01 0.00 0.00 37.83 35.13 1wj2 s LYS 462 CO 0.00 0.46 1.15 -1.01 0.51 0.00 0.00 175.35 176.45 1wj2 s HIS 463 N -0.66 2.36 -0.05 3.18 3.76 -1.26 -4.88 115.29 117.75 1wj2 s HIS 463 Ca 0.09 1.58 0.20 0.00 -0.15 0.00 0.00 55.06 56.78 1wj2 s HIS 463 Cb -0.09 -3.28 0.35 0.00 1.11 0.00 0.00 32.58 30.67 1wj2 s HIS 463 CO 0.00 -2.08 1.14 0.27 -0.85 0.00 0.00 174.74 173.23 1wj2 n ASN 464 N -2.65 0.57 -0.34 1.40 6.94 -1.26 -4.84 115.26 115.07 1wj2 n ASN 464 Ca 0.11 -2.01 0.00 0.00 -0.02 0.00 0.00 54.58 52.66 1wj2 n ASN 464 Cb 0.51 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 1wj2 n ASN 464 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wj2 n HIS 465 N 0.18 0.00 -1.30 -2.53 1.44 -1.26 -4.95 115.22 106.80 1wj2 n HIS 465 Ca -0.02 0.00 0.17 0.00 -2.01 0.00 0.00 57.72 55.86 1wj2 n HIS 465 Cb 1.00 -0.03 -0.05 0.00 0.12 0.00 0.00 29.99 31.04 1wj2 n HIS 465 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1wj2 n ASP 466 N 0.00 -7.62 -4.69 4.39 9.92 -1.26 -4.68 116.55 112.61 1wj2 n ASP 466 Ca 0.00 0.65 -0.41 0.00 -0.53 0.00 0.00 54.79 54.50 1wj2 n ASP 466 Cb 0.63 -4.07 -0.04 0.00 -0.64 0.00 0.00 41.12 37.00 1wj2 n ASP 466 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wj2 s LEU 467 N -6.52 4.27 1.14 0.64 1.43 -1.26 -5.04 118.68 113.33 1wj2 s LEU 467 Ca 0.00 1.35 -0.18 0.00 -1.03 0.00 0.00 54.13 54.27 1wj2 s LEU 467 Cb 0.00 -3.33 0.16 0.00 0.03 0.00 0.00 46.19 43.05 1wj2 s LEU 467 CO 0.00 -0.31 0.23 -2.65 0.23 0.00 0.00 176.35 173.85 1wj2 n PRO 468 N 4.53 -2.17 0.00 1.29 -0.02 -1.26 -5.19 135.00 132.17 1wj2 n PRO 468 Ca 0.04 -0.63 0.12 0.00 -2.02 0.00 0.00 63.50 61.02 1wj2 n PRO 468 Cb 0.50 -1.71 0.17 0.00 -0.02 0.00 0.00 33.50 32.44 1wj2 n PRO 468 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48