#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 2.09 -0.01 5.55 6.02 -1.26 -4.53 117.38 125.24 1wj2 n GLN 400 Ca 0.00 -3.24 -0.09 0.00 -0.01 0.00 0.00 57.00 53.65 1wj2 n GLN 400 Cb 0.00 -1.95 -0.14 0.00 1.02 0.00 0.00 30.24 29.17 1wj2 n GLN 400 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wj2 h THR 401 N 1.09 0.90 -3.60 5.09 1.03 -2.14 -3.46 112.91 111.82 1wj2 h THR 401 Ca 0.34 -2.74 -0.26 0.00 -0.01 0.00 0.00 66.41 63.74 1wj2 h THR 401 Cb 1.82 2.46 -0.31 0.00 -1.07 0.00 0.00 68.15 71.05 1wj2 h THR 401 CO 0.63 0.55 -0.71 0.42 -0.01 0.00 0.00 175.52 176.40 1wj2 s THR 402 N -2.60 -0.03 -0.32 0.00 -4.23 -1.26 -5.12 115.64 102.08 1wj2 s THR 402 Ca -0.05 0.10 0.01 0.00 -1.18 0.00 0.00 61.69 60.57 1wj2 s THR 402 Cb 0.08 -0.06 0.14 0.00 1.34 0.00 0.00 72.50 74.00 1wj2 s THR 402 CO 0.82 0.04 0.32 -0.44 -0.54 0.00 0.00 174.62 174.82 1wj2 s SER 403 N 0.53 1.54 -1.10 3.99 0.01 -1.26 -5.05 113.70 112.37 1wj2 s SER 403 Ca -0.04 -1.07 -0.15 0.00 1.31 0.00 0.00 55.95 55.99 1wj2 s SER 403 Cb -0.06 0.50 0.16 0.00 0.21 0.00 0.00 66.02 66.83 1wj2 s SER 403 CO -0.02 -0.34 1.29 -0.70 0.41 0.00 0.00 173.24 173.88 1wj2 s GLU 404 N 2.02 3.91 -0.18 12.44 2.12 -1.26 -5.00 118.70 132.75 1wj2 s GLU 404 Ca 0.12 -2.32 -0.28 0.00 0.36 0.00 0.00 54.97 52.85 1wj2 s GLU 404 Cb -0.15 -4.97 -0.00 0.00 0.26 0.00 0.00 34.13 29.27 1wj2 s GLU 404 CO -0.22 -1.73 0.96 0.08 -0.54 0.00 0.00 175.26 173.80 1wj2 s VAL 405 N 1.81 4.78 0.27 3.70 1.01 -1.26 -5.03 120.40 125.67 1wj2 s VAL 405 Ca 0.38 1.89 0.03 0.00 0.00 0.00 0.00 61.98 64.28 1wj2 s VAL 405 Cb -0.04 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.03 1wj2 s VAL 405 CO -0.04 -0.06 0.05 -1.81 0.00 0.00 0.00 175.10 173.24 1wj2 s ASP 406 N 1.17 1.79 -1.02 3.32 1.01 -1.26 -5.08 116.67 116.59 1wj2 s ASP 406 Ca 0.43 -1.33 -0.20 0.00 0.71 0.00 0.00 52.55 52.17 1wj2 s ASP 406 Cb -0.16 0.03 0.10 0.00 1.01 0.00 0.00 42.92 43.89 1wj2 s ASP 406 CO 0.12 -0.62 1.34 -0.22 0.21 0.00 0.00 175.17 176.00 1wj2 s LEU 407 N -3.37 4.33 -0.13 1.23 1.98 -1.26 -4.99 118.68 116.47 1wj2 s LEU 407 Ca 0.34 -1.94 -0.17 0.00 -2.89 0.00 0.00 54.13 49.48 1wj2 s LEU 407 Cb 0.07 -2.48 -0.04 0.00 0.66 0.00 0.00 46.19 44.40 1wj2 s LEU 407 CO 0.13 -1.22 0.43 -0.76 -1.89 0.00 0.00 176.35 173.03 1wj2 s LEU 408 N 3.63 4.26 0.00 -0.68 1.43 -1.26 -4.38 118.68 121.67 1wj2 s LEU 408 Ca 0.41 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 54.25 1wj2 s LEU 408 Cb -0.02 -2.60 0.02 0.00 0.03 0.00 0.00 46.19 43.62 1wj2 s LEU 408 CO -0.07 0.02 0.19 -0.67 0.23 0.00 0.00 176.35 176.05 1wj2 n ASP 409 N 3.70 0.45 -0.03 2.29 2.03 -1.26 -5.06 116.55 118.68 1wj2 n ASP 409 Ca -0.08 -1.34 -0.21 0.00 0.52 0.00 0.00 54.79 53.68 1wj2 n ASP 409 Cb 0.52 -0.11 -0.13 0.00 -0.72 0.00 0.00 41.12 40.68 1wj2 n ASP 409 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1wj2 n ASP 410 N -2.87 2.07 0.00 1.67 9.92 -1.26 -4.86 116.55 121.22 1wj2 n ASP 410 Ca 0.04 0.18 -0.00 0.00 -0.53 0.00 0.00 54.79 54.47 1wj2 n ASP 410 Cb 0.14 -0.80 -0.00 0.00 -0.64 0.00 0.00 41.12 39.82 1wj2 n ASP 410 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wj2 n GLY 411 N 1.97 -0.10 3.77 0.44 0.00 -1.26 -4.85 105.19 105.16 1wj2 n GLY 411 Ca -0.35 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.08 2.57 -0.26 1.61 2.02 -1.26 -4.60 117.35 116.36 1wj2 s TYR 412 Ca -0.01 1.06 0.01 0.00 -0.37 0.00 0.00 57.07 57.77 1wj2 s TYR 412 Cb 0.00 -3.22 0.07 0.00 -0.40 0.00 0.00 41.96 38.40 1wj2 s TYR 412 CO 0.01 -2.18 -0.03 1.03 -1.57 0.00 0.00 175.55 172.81 1wj2 s ARG 413 N -5.13 1.58 0.18 -0.62 3.00 -1.26 -4.07 118.95 112.62 1wj2 s ARG 413 Ca 0.63 -1.13 0.05 0.00 0.00 0.00 0.00 55.73 55.28 1wj2 s ARG 413 Cb -0.16 -2.63 -0.04 0.00 0.00 0.00 0.00 34.95 32.12 1wj2 s ARG 413 CO 0.55 -0.67 0.18 -1.58 0.00 0.00 0.00 175.30 173.77 1wj2 s TRP 414 N 1.33 3.20 -0.01 -0.53 0.52 -1.26 -1.11 118.94 121.08 1wj2 s TRP 414 Ca -0.03 -0.01 0.02 0.00 0.02 0.00 0.00 56.10 56.09 1wj2 s TRP 414 Cb -0.19 -1.52 0.00 0.00 -1.15 0.00 0.00 33.47 30.62 1wj2 s TRP 414 CO -0.08 0.52 -0.06 1.03 0.02 0.00 0.00 176.95 178.38 1wj2 s ARG 415 N -3.29 0.53 -0.11 4.98 0.52 0.43 -4.71 118.95 117.31 1wj2 s ARG 415 Ca 0.32 -0.19 -0.30 0.00 -0.52 0.00 0.00 55.73 55.05 1wj2 s ARG 415 Cb -0.10 -0.53 -0.01 0.00 0.52 0.00 0.00 34.95 34.83 1wj2 s ARG 415 CO 0.25 0.09 1.01 0.21 0.02 0.00 0.00 175.30 176.88 1wj2 s LYS 416 N 0.06 4.42 -0.07 3.54 2.20 -1.26 -1.94 119.74 126.68 1wj2 s LYS 416 Ca -0.00 1.40 0.02 0.00 -0.36 0.00 0.00 55.97 57.02 1wj2 s LYS 416 Cb -0.05 -3.54 -0.06 0.00 -1.51 0.00 0.00 37.83 32.67 1wj2 s LYS 416 CO -0.00 -0.32 -0.04 2.48 -0.36 0.00 0.00 175.35 177.11 1wj2 n TYR 417 N 5.02 0.00 -4.06 4.03 4.11 -1.25 -5.04 117.16 119.96 1wj2 n TYR 417 Ca 0.09 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.89 1wj2 n TYR 417 Cb 0.49 -0.29 -0.07 0.00 -0.00 0.00 0.00 39.34 39.46 1wj2 n TYR 417 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1wj2 s GLY 418 N -4.40 0.85 -0.19 -7.48 0.00 -1.26 -5.13 107.32 89.71 1wj2 s GLY 418 Ca -0.08 -1.18 -0.27 0.00 0.00 0.00 0.00 44.72 43.19 1wj2 s GLY 418 CO 0.20 -0.95 0.74 -0.86 0.00 0.00 0.00 173.10 172.23 1wj2 s GLN 419 N -4.06 0.88 0.01 2.90 -2.07 -1.26 -2.98 119.66 113.08 1wj2 s GLN 419 Ca 0.27 0.68 0.06 0.00 -1.82 0.00 0.00 55.36 54.55 1wj2 s GLN 419 Cb 0.03 0.42 -0.02 0.00 -1.09 0.00 0.00 33.01 32.35 1wj2 s GLN 419 CO 0.08 -0.18 -0.20 0.15 -1.32 0.00 0.00 175.29 173.83 1wj2 s LYS 420 N -0.24 1.49 -0.19 9.60 1.02 -0.98 -5.04 119.74 125.40 1wj2 s LYS 420 Ca -0.04 -0.77 -0.09 0.00 0.02 0.00 0.00 55.97 55.09 1wj2 s LYS 420 Cb -0.03 -1.49 -0.05 0.00 -0.52 0.00 0.00 37.83 35.74 1wj2 s LYS 420 CO 0.04 0.40 0.13 0.54 -0.92 0.00 0.00 175.35 175.54 1wj2 s VAL 421 N -0.58 5.42 -0.24 3.17 0.11 -1.26 -1.84 120.40 125.18 1wj2 s VAL 421 Ca 0.07 0.19 -0.04 0.00 -2.93 0.00 0.00 61.98 59.27 1wj2 s VAL 421 Cb -0.08 -3.45 -0.00 0.00 -1.53 0.00 0.00 36.38 31.32 1wj2 s VAL 421 CO 0.00 0.47 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.54 1wj2 s VAL 422 N 0.11 3.48 0.56 2.04 1.01 -1.26 -5.00 120.40 121.35 1wj2 s VAL 422 Ca 0.09 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.29 1wj2 s VAL 422 Cb -0.11 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1wj2 s VAL 422 CO -0.01 0.33 1.35 2.29 0.00 0.00 0.00 175.10 179.06 1wj2 n LYS 423 N 4.80 1.61 0.00 2.72 -0.00 -1.26 -3.15 118.16 122.89 1wj2 n LYS 423 Ca -0.17 0.60 0.00 0.00 -0.00 0.00 0.00 58.31 58.73 1wj2 n LYS 423 Cb 0.50 -2.57 0.00 0.00 -0.00 0.00 0.00 35.03 32.96 1wj2 n LYS 423 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wj2 n GLY 424 N 0.78 1.69 3.72 2.58 0.00 -1.26 -4.95 105.19 107.75 1wj2 n GLY 424 Ca 0.11 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 6.59 0.25 1.61 0.01 -1.19 -4.91 114.94 117.31 1wj2 s ASN 425 Ca 0.00 2.61 0.12 0.00 -0.71 0.00 0.00 52.86 54.87 1wj2 s ASN 425 Cb 0.00 -2.59 0.24 0.00 0.41 0.00 0.00 41.25 39.30 1wj2 s ASN 425 CO 0.00 -0.82 1.53 1.55 -1.51 0.00 0.00 177.10 177.85 1wj2 h PRO 426 N 6.82 0.00 -4.98 -0.60 0.13 -1.92 -3.42 132.00 128.02 1wj2 h PRO 426 Ca -0.43 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.02 1wj2 h PRO 426 Cb 1.20 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 1wj2 h PRO 426 CO 0.91 0.66 -0.08 0.71 -0.23 0.00 0.00 178.00 179.98 1wj2 s TYR 427 N -3.31 3.12 1.14 1.56 2.02 -1.26 -5.07 117.35 115.56 1wj2 s TYR 427 Ca 0.00 -0.37 -0.16 0.00 -0.37 0.00 0.00 57.07 56.17 1wj2 s TYR 427 Cb 0.11 -3.16 0.26 0.00 -0.40 0.00 0.00 41.96 38.77 1wj2 s TYR 427 CO 0.76 -0.82 1.08 -1.25 -1.57 0.00 0.00 175.55 173.75 1wj2 s PRO 428 N 2.38 -0.72 -0.55 -1.71 0.04 -1.26 -4.60 135.00 128.57 1wj2 s PRO 428 Ca 0.15 0.28 -0.17 0.00 0.04 0.00 0.00 61.00 61.29 1wj2 s PRO 428 Cb -0.17 -1.62 0.11 0.00 0.04 0.00 0.00 34.50 32.86 1wj2 s PRO 428 CO 0.14 -3.45 0.56 1.03 0.04 0.00 0.00 177.00 175.32 1wj2 s ARG 429 N -5.09 3.01 -0.37 4.56 0.52 -0.77 -4.58 118.95 116.24 1wj2 s ARG 429 Ca 0.68 -1.53 -0.18 0.00 -0.52 0.00 0.00 55.73 54.18 1wj2 s ARG 429 Cb -0.15 -4.27 0.00 0.00 0.52 0.00 0.00 34.95 31.05 1wj2 s ARG 429 CO 0.58 -1.37 0.52 -1.12 0.02 0.00 0.00 175.30 173.92 1wj2 s SER 430 N 3.51 6.30 0.10 0.23 0.01 -1.17 -2.33 113.70 120.35 1wj2 s SER 430 Ca 0.06 -0.13 -0.05 0.00 1.31 0.00 0.00 55.95 57.14 1wj2 s SER 430 Cb -0.27 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 1wj2 s SER 430 CO 0.05 -0.52 0.34 -0.31 0.41 0.00 0.00 173.24 173.20 1wj2 s TYR 431 N 2.41 3.52 0.31 2.43 2.02 -1.16 -2.33 117.35 124.54 1wj2 s TYR 431 Ca 0.18 0.56 -0.01 0.00 -0.37 0.00 0.00 57.07 57.43 1wj2 s TYR 431 Cb -0.15 -1.99 0.01 0.00 -0.40 0.00 0.00 41.96 39.42 1wj2 s TYR 431 CO 0.14 0.50 0.42 0.66 -1.57 0.00 0.00 175.55 175.70 1wj2 n TYR 432 N 0.44 -1.29 -3.64 2.71 4.02 -1.09 -3.96 117.16 114.35 1wj2 n TYR 432 Ca -0.05 -2.07 -0.06 0.00 -0.01 0.00 0.00 57.90 55.71 1wj2 n TYR 432 Cb 0.52 0.47 -0.07 0.00 -0.02 0.00 0.00 39.34 40.24 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 -2.72 0.49 -0.55 -0.72 -2.85 -0.82 -1.72 119.74 110.84 1wj2 s LYS 433 Ca 0.26 0.74 -0.27 0.00 -1.00 0.00 0.00 55.97 55.70 1wj2 s LYS 433 Cb -0.01 0.16 -0.03 0.00 -2.06 0.00 0.00 37.83 35.89 1wj2 s LYS 433 CO 0.19 -0.08 1.98 0.00 0.10 0.00 0.00 175.35 177.53 1wj2 n THR 435 N 7.41 5.18 -3.93 0.00 -2.24 -0.27 -2.58 114.28 117.86 1wj2 n THR 435 Ca 0.24 -5.57 -0.30 0.00 -2.27 0.00 0.00 64.05 56.15 1wj2 n THR 435 Cb 0.52 -2.10 -0.04 0.00 -2.10 0.00 0.00 70.33 66.61 1wj2 n THR 435 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wj2 s THR 436 N -2.18 5.36 -0.84 4.28 -4.23 -0.90 -4.95 115.64 112.18 1wj2 s THR 436 Ca 0.34 -0.47 -0.21 0.00 -1.18 0.00 0.00 61.69 60.17 1wj2 s THR 436 Cb 0.07 -3.65 -0.20 0.00 1.34 0.00 0.00 72.50 70.07 1wj2 s THR 436 CO 0.07 0.08 2.35 -0.81 -0.54 0.00 0.00 174.62 175.77 1wj2 n PRO 437 N 0.09 0.41 0.00 3.99 -0.04 -1.26 0.03 135.00 138.22 1wj2 n PRO 437 Ca -0.06 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 1wj2 n PRO 437 Cb 0.52 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 1wj2 n PRO 437 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wj2 n GLY 438 N 6.36 2.16 3.71 0.55 0.00 -1.26 -5.03 105.19 111.68 1wj2 n GLY 438 Ca 0.53 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.20 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 3.71 4.50 3.90 0.00 0.00 -1.25 -2.13 105.19 113.92 1wj2 n GLY 440 Ca -0.15 -2.32 -0.29 0.00 0.00 0.00 0.00 46.02 43.26 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 -2.98 5.00 0.11 1.61 1.01 -1.06 -4.93 120.40 119.14 1wj2 s VAL 441 Ca 0.42 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.57 1wj2 s VAL 441 Cb 0.25 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1wj2 s VAL 441 CO -0.09 -0.35 -0.13 -0.13 0.00 0.00 0.00 175.10 174.40 1wj2 s ARG 442 N -3.61 0.94 0.19 2.72 0.52 -0.97 0.44 118.95 119.20 1wj2 s ARG 442 Ca 0.45 -1.16 -0.11 0.00 -0.52 0.00 0.00 55.73 54.39 1wj2 s ARG 442 Cb -0.11 -0.80 -0.00 0.00 0.52 0.00 0.00 34.95 34.56 1wj2 s ARG 442 CO 0.30 0.15 0.37 -1.59 0.02 0.00 0.00 175.30 174.55 1wj2 s LYS 443 N -2.51 1.30 -0.00 3.54 -2.85 -0.70 -0.98 119.74 117.55 1wj2 s LYS 443 Ca 0.06 -1.18 0.02 0.00 -1.00 0.00 0.00 55.97 53.87 1wj2 s LYS 443 Cb -0.05 0.42 -0.00 0.00 -2.06 0.00 0.00 37.83 36.13 1wj2 s LYS 443 CO 0.02 -0.51 -0.05 -1.01 0.10 0.00 0.00 175.35 173.90 1wj2 s HIS 444 N -3.98 0.46 -0.20 1.78 3.76 -1.07 -2.68 115.29 113.36 1wj2 s HIS 444 Ca 0.19 -0.09 -0.02 0.00 -0.15 0.00 0.00 55.06 54.99 1wj2 s HIS 444 Cb 0.02 -0.30 -0.00 0.00 1.11 0.00 0.00 32.58 33.41 1wj2 s HIS 444 CO 0.03 -0.01 -0.10 0.08 -0.85 0.00 0.00 174.74 173.89 1wj2 s VAL 445 N -0.13 2.96 -0.20 -0.90 1.01 -0.99 -2.58 120.40 119.57 1wj2 s VAL 445 Ca 0.02 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 1wj2 s VAL 445 Cb -0.02 -2.32 0.06 0.00 0.00 0.00 0.00 36.38 34.11 1wj2 s VAL 445 CO -0.00 0.46 0.05 -0.70 0.00 0.00 0.00 175.10 174.92 1wj2 s GLU 446 N 1.34 0.54 -0.48 2.72 -6.30 -1.06 -3.03 118.70 112.45 1wj2 s GLU 446 Ca 0.04 -0.42 -0.25 0.00 -2.50 0.00 0.00 54.97 51.84 1wj2 s GLU 446 Cb -0.14 -2.02 0.03 0.00 0.00 0.00 0.00 34.13 32.00 1wj2 s GLU 446 CO -0.06 -0.69 0.94 0.50 0.02 0.00 0.00 175.26 175.98 1wj2 s ARG 447 N 1.90 3.51 -0.27 4.30 3.52 -1.26 -2.40 118.95 128.25 1wj2 s ARG 447 Ca 0.01 0.12 -0.28 0.00 -0.13 0.00 0.00 55.73 55.44 1wj2 s ARG 447 Cb -0.17 -3.95 -0.03 0.00 -1.56 0.00 0.00 34.95 29.24 1wj2 s ARG 447 CO -0.11 -1.28 1.89 0.00 -0.81 0.00 0.00 175.30 175.00 1wj2 s ALA 448 N 3.84 2.92 -0.16 6.12 0.00 0.18 -4.78 121.76 129.88 1wj2 s ALA 448 Ca 0.37 0.48 -0.22 0.00 0.00 0.00 0.00 51.96 52.58 1wj2 s ALA 448 Cb -0.10 -4.00 -0.19 0.00 0.00 0.00 0.00 23.12 18.82 1wj2 s ALA 448 CO 0.26 -2.53 0.44 0.00 0.00 0.00 0.00 175.76 173.93 1wj2 h ALA 449 N 13.06 0.09 -0.74 0.00 0.00 -1.94 -3.11 119.26 126.62 1wj2 h ALA 449 Ca -0.36 -0.68 0.12 0.00 0.00 0.00 0.00 54.91 53.99 1wj2 h ALA 449 Cb 1.19 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 1wj2 h ALA 449 CO 1.00 0.26 0.49 1.79 0.00 0.00 0.00 179.25 182.79 1wj2 h THR 450 N -1.00 0.85 -4.30 0.00 1.35 -1.99 -3.42 112.91 104.40 1wj2 h THR 450 Ca -0.11 -0.17 -0.50 0.00 -0.55 0.00 0.00 66.41 65.07 1wj2 h THR 450 Cb 0.96 0.31 0.07 0.00 -1.73 0.00 0.00 68.15 67.76 1wj2 h THR 450 CO -0.07 0.09 0.39 -1.81 -0.25 0.00 0.00 175.52 173.87 1wj2 s ASP 451 N -6.03 5.86 -0.57 5.36 1.11 -1.26 -4.89 116.67 116.25 1wj2 s ASP 451 Ca -0.08 1.58 -0.14 0.00 0.18 0.00 0.00 52.55 54.08 1wj2 s ASP 451 Cb 0.21 -2.49 -0.13 0.00 1.07 0.00 0.00 42.92 41.57 1wj2 s ASP 451 CO 0.77 -1.12 1.78 -0.81 1.18 0.00 0.00 175.17 176.97 1wj2 n PRO 452 N -2.65 1.21 -2.50 8.23 -0.04 -1.26 -4.30 135.00 133.68 1wj2 n PRO 452 Ca 0.07 -1.37 -0.04 0.00 -0.04 0.00 0.00 63.50 62.12 1wj2 n PRO 452 Cb 0.54 -2.55 0.01 0.00 -0.04 0.00 0.00 33.50 31.45 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 5.92 -2.11 -4.61 0.54 3.00 -1.26 -5.06 118.16 114.58 1wj2 n LYS 453 Ca 0.39 1.92 -0.24 0.00 -0.00 0.00 0.00 58.31 60.38 1wj2 n LYS 453 Cb 0.25 -4.61 -0.14 0.00 0.00 0.00 0.00 35.03 30.53 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 -1.93 1.48 -0.36 3.14 0.00 -1.17 -5.03 121.76 117.89 1wj2 s ALA 454 Ca 0.13 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1wj2 s ALA 454 Cb -0.04 -0.30 0.11 0.00 0.00 0.00 0.00 23.12 22.89 1wj2 s ALA 454 CO 0.60 0.33 0.14 0.08 0.00 0.00 0.00 175.76 176.90 1wj2 s VAL 455 N -0.69 1.32 -0.21 0.00 1.01 -1.26 0.49 120.40 121.06 1wj2 s VAL 455 Ca 0.05 -1.96 -0.16 0.00 0.00 0.00 0.00 61.98 59.92 1wj2 s VAL 455 Cb -0.08 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1wj2 s VAL 455 CO 0.01 -0.73 0.41 0.54 0.00 0.00 0.00 175.10 175.33 1wj2 s VAL 456 N 1.07 5.18 -0.15 2.92 0.11 -1.01 -5.00 120.40 123.52 1wj2 s VAL 456 Ca 0.13 0.73 0.00 0.00 -2.93 0.00 0.00 61.98 59.91 1wj2 s VAL 456 Cb -0.20 -3.74 0.02 0.00 -1.53 0.00 0.00 36.38 30.93 1wj2 s VAL 456 CO -0.14 0.23 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.83 1wj2 s THR 457 N 1.45 1.58 0.29 5.04 2.01 -1.26 -2.55 115.64 122.20 1wj2 s THR 457 Ca 0.19 -0.68 -0.07 0.00 0.31 0.00 0.00 61.69 61.44 1wj2 s THR 457 Cb -0.15 -1.51 -0.06 0.00 0.01 0.00 0.00 72.50 70.80 1wj2 s THR 457 CO 0.08 0.42 0.59 -0.89 -0.69 0.00 0.00 174.62 174.14 1wj2 s THR 458 N 1.48 4.96 -0.05 -0.82 2.01 -1.06 -4.94 115.64 117.22 1wj2 s THR 458 Ca 0.04 0.24 0.02 0.00 0.31 0.00 0.00 61.69 62.30 1wj2 s THR 458 Cb -0.13 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.69 1wj2 s THR 458 CO -0.10 -0.30 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.13 1wj2 s TYR 459 N -2.07 1.06 -0.27 4.92 1.51 -1.26 -2.60 117.35 118.63 1wj2 s TYR 459 Ca 0.46 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 56.20 1wj2 s TYR 459 Cb -0.11 -0.82 0.07 0.00 -0.11 0.00 0.00 41.96 40.99 1wj2 s TYR 459 CO 0.28 -0.20 -0.03 -1.21 -1.11 0.00 0.00 175.55 173.28 1wj2 s GLU 460 N 0.67 1.63 0.00 -0.62 8.01 -0.15 -5.02 118.70 123.22 1wj2 s GLU 460 Ca -0.11 -1.25 0.00 0.00 0.01 0.00 0.00 54.97 53.61 1wj2 s GLU 460 Cb -0.14 -2.72 0.00 0.00 -4.31 0.00 0.00 34.13 26.96 1wj2 s GLU 460 CO 0.02 -0.70 0.00 0.41 0.01 0.00 0.00 175.26 175.00 1wj2 n GLY 461 N 4.55 2.09 3.98 -1.39 0.00 -1.26 -2.28 105.19 110.89 1wj2 n GLY 461 Ca -0.08 -1.72 -0.20 0.00 0.00 0.00 0.00 46.02 44.02 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 -4.10 2.55 -0.01 1.61 1.02 -1.26 -4.79 119.74 114.76 1wj2 s LYS 462 Ca 0.00 -0.91 -0.16 0.00 0.02 0.00 0.00 55.97 54.93 1wj2 s LYS 462 Cb 0.00 -2.54 -0.06 0.00 -0.52 0.00 0.00 37.83 34.72 1wj2 s LYS 462 CO 0.00 -0.66 0.43 -1.01 -0.92 0.00 0.00 175.35 173.18 1wj2 s HIS 463 N -2.70 3.70 -0.40 3.18 3.76 -1.26 -4.67 115.29 116.90 1wj2 s HIS 463 Ca 0.57 1.00 0.05 0.00 -0.15 0.00 0.00 55.06 56.53 1wj2 s HIS 463 Cb -0.10 -2.34 0.60 0.00 1.11 0.00 0.00 32.58 31.85 1wj2 s HIS 463 CO 0.38 0.57 1.75 0.09 -0.85 0.00 0.00 174.74 176.68 1wj2 n ASN 464 N 2.08 3.47 -3.79 1.40 4.13 -1.26 -4.95 115.26 116.34 1wj2 n ASN 464 Ca -0.13 -3.69 -0.11 0.00 1.68 0.00 0.00 54.58 52.33 1wj2 n ASN 464 Cb 0.52 -0.77 -0.07 0.00 -1.54 0.00 0.00 39.78 37.92 1wj2 n ASN 464 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 1wj2 s HIS 465 N -3.32 -0.03 0.46 3.10 -3.43 -1.26 -4.84 115.29 105.98 1wj2 s HIS 465 Ca 0.53 -0.18 -0.08 0.00 -0.80 0.00 0.00 55.06 54.53 1wj2 s HIS 465 Cb 0.45 0.05 0.11 0.00 -1.43 0.00 0.00 32.58 31.76 1wj2 s HIS 465 CO 0.06 -0.50 0.48 -0.25 -2.00 0.00 0.00 174.74 172.54 1wj2 n ASP 466 N 0.48 -0.87 -4.53 7.38 8.00 -1.26 -4.99 116.55 120.76 1wj2 n ASP 466 Ca -0.18 -0.94 -0.43 0.00 0.71 0.00 0.00 54.79 53.96 1wj2 n ASP 466 Cb 0.60 -0.41 -0.07 0.00 -0.02 0.00 0.00 41.12 41.22 1wj2 n ASP 466 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wj2 s LEU 467 N 0.00 4.46 0.00 0.64 1.02 -1.26 -5.01 118.68 118.53 1wj2 s LEU 467 Ca 0.30 -0.24 0.00 0.00 0.02 0.00 0.00 54.13 54.21 1wj2 s LEU 467 Cb -0.02 -2.71 0.00 0.00 0.02 0.00 0.00 46.19 43.48 1wj2 s LEU 467 CO 0.22 -0.71 0.00 -2.65 0.02 0.00 0.00 176.35 173.23 1wj2 n PRO 468 N 6.15 -0.75 0.00 1.29 -0.02 -1.26 -5.14 135.00 135.27 1wj2 n PRO 468 Ca -0.02 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.58 1wj2 n PRO 468 Cb 0.48 0.00 0.19 0.00 -0.02 0.00 0.00 33.50 34.15 1wj2 n PRO 468 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48