#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wj2 s GLN 400 N 0.00 2.75 -1.16 5.55 -1.52 -1.26 -5.00 119.66 119.02 1wj2 s GLN 400 Ca 0.00 -2.67 -0.11 0.00 -1.95 0.00 0.00 55.36 50.62 1wj2 s GLN 400 Cb 0.00 -3.81 0.23 0.00 -0.22 0.00 0.00 33.01 29.21 1wj2 s GLN 400 CO 0.00 -1.20 1.28 -2.37 -0.25 0.00 0.00 175.29 172.76 1wj2 n THR 401 N 3.28 4.44 -3.00 -0.19 5.66 -1.26 -4.99 114.28 118.23 1wj2 n THR 401 Ca 0.11 -5.08 -0.43 0.00 -3.05 0.00 0.00 64.05 55.60 1wj2 n THR 401 Cb 0.38 -2.52 -0.05 0.00 -1.55 0.00 0.00 70.33 66.59 1wj2 n THR 401 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wj2 s THR 402 N 0.03 4.66 -0.39 1.09 -4.23 -1.26 -4.90 115.64 110.64 1wj2 s THR 402 Ca 0.37 0.16 0.06 0.00 -1.18 0.00 0.00 61.69 61.09 1wj2 s THR 402 Cb -0.06 -4.35 0.50 0.00 1.34 0.00 0.00 72.50 69.93 1wj2 s THR 402 CO -0.04 -0.81 1.57 -1.20 -0.54 0.00 0.00 174.62 173.60 1wj2 n SER 403 N 6.72 4.17 -4.52 3.99 7.64 -1.26 -4.94 113.62 125.41 1wj2 n SER 403 Ca -0.00 -3.77 -0.42 0.00 1.01 0.00 0.00 58.87 55.69 1wj2 n SER 403 Cb 0.47 -0.66 -0.03 0.00 -1.01 0.00 0.00 64.21 62.98 1wj2 n SER 403 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1wj2 s GLU 404 N -3.45 3.47 -0.34 1.43 2.56 -1.26 -4.98 118.70 116.13 1wj2 s GLU 404 Ca 0.51 -1.10 -0.29 0.00 0.00 0.00 0.00 54.97 54.10 1wj2 s GLU 404 Cb 0.44 -4.93 0.02 0.00 2.00 0.00 0.00 34.13 31.65 1wj2 s GLU 404 CO 0.02 -2.05 1.12 0.08 -0.56 0.00 0.00 175.26 173.87 1wj2 s VAL 405 N 4.45 4.40 0.11 3.70 1.01 -1.26 -5.02 120.40 127.79 1wj2 s VAL 405 Ca 0.38 1.58 0.09 0.00 0.00 0.00 0.00 61.98 64.04 1wj2 s VAL 405 Cb -0.04 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1wj2 s VAL 405 CO -0.03 -0.56 -0.21 -1.81 0.00 0.00 0.00 175.10 172.49 1wj2 s ASP 406 N 1.97 3.69 -0.58 3.32 1.11 -1.26 -5.05 116.67 119.87 1wj2 s ASP 406 Ca 0.48 -0.60 -0.26 0.00 0.18 0.00 0.00 52.55 52.34 1wj2 s ASP 406 Cb -0.12 -0.45 -0.07 0.00 1.07 0.00 0.00 42.92 43.35 1wj2 s ASP 406 CO 0.19 0.19 2.27 -0.76 1.18 0.00 0.00 175.17 178.24 1wj2 s LEU 407 N -2.03 3.29 -0.20 1.23 1.43 -1.26 -4.92 118.68 116.21 1wj2 s LEU 407 Ca 0.16 0.67 -0.23 0.00 -1.03 0.00 0.00 54.13 53.70 1wj2 s LEU 407 Cb -0.10 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 1wj2 s LEU 407 CO 0.08 -2.93 0.76 -0.22 0.23 0.00 0.00 176.35 174.28 1wj2 s LEU 408 N 11.85 4.14 -0.30 1.79 0.20 -1.26 -5.03 118.68 130.08 1wj2 s LEU 408 Ca 0.89 1.01 -0.24 0.00 0.69 0.00 0.00 54.13 56.48 1wj2 s LEU 408 Cb -0.15 -3.10 0.00 0.00 -0.43 0.00 0.00 46.19 42.51 1wj2 s LEU 408 CO 0.21 -0.39 0.84 -0.62 -0.29 0.00 0.00 176.35 176.10 1wj2 s ASP 409 N 1.23 6.73 0.34 3.68 2.15 -1.26 -4.78 116.67 124.76 1wj2 s ASP 409 Ca 0.34 0.78 0.00 0.00 0.43 0.00 0.00 52.55 54.10 1wj2 s ASP 409 Cb -0.16 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1wj2 s ASP 409 CO 0.10 -0.63 0.00 -0.67 -0.17 0.00 0.00 175.17 173.80 1wj2 n ASP 410 N 6.26 -1.10 -0.03 -0.34 -0.08 -1.26 -5.04 116.55 114.96 1wj2 n ASP 410 Ca 0.05 0.60 -0.05 0.00 -1.51 0.00 0.00 54.79 53.88 1wj2 n ASP 410 Cb 0.48 1.21 -0.02 0.00 2.34 0.00 0.00 41.12 45.13 1wj2 n ASP 410 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wj2 n GLY 411 N 0.86 -0.33 3.73 0.27 0.00 -1.26 -4.87 105.19 103.59 1wj2 n GLY 411 Ca 0.00 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.51 2.83 -0.52 1.61 2.02 -1.26 -4.31 117.35 115.20 1wj2 s TYR 412 Ca -0.17 -0.24 -0.04 0.00 -0.37 0.00 0.00 57.07 56.26 1wj2 s TYR 412 Cb 0.02 -1.41 0.14 0.00 -0.40 0.00 0.00 41.96 40.31 1wj2 s TYR 412 CO 0.25 0.49 0.34 1.03 -1.57 0.00 0.00 175.55 176.09 1wj2 s ARG 413 N -3.79 2.35 0.71 -0.62 0.52 -1.26 -4.80 118.95 112.06 1wj2 s ARG 413 Ca 0.34 -2.15 -0.02 0.00 -0.52 0.00 0.00 55.73 53.38 1wj2 s ARG 413 Cb -0.06 -3.71 0.11 0.00 0.52 0.00 0.00 34.95 31.81 1wj2 s ARG 413 CO 0.23 -1.14 0.98 -1.58 0.02 0.00 0.00 175.30 173.81 1wj2 s TRP 414 N 0.61 1.96 -0.28 -0.53 0.52 -1.26 -2.20 118.94 117.74 1wj2 s TRP 414 Ca 0.12 -0.10 -0.20 0.00 0.02 0.00 0.00 56.10 55.94 1wj2 s TRP 414 Cb -0.22 -3.06 0.12 0.00 -1.15 0.00 0.00 33.47 29.16 1wj2 s TRP 414 CO -0.04 -1.60 0.92 0.50 0.02 0.00 0.00 176.95 176.75 1wj2 s ARG 415 N -5.15 0.52 0.18 4.98 6.06 -0.84 -4.79 118.95 119.91 1wj2 s ARG 415 Ca 0.65 0.77 -0.30 0.00 -2.50 0.00 0.00 55.73 54.35 1wj2 s ARG 415 Cb -0.07 0.17 -0.08 0.00 0.06 0.00 0.00 34.95 35.04 1wj2 s ARG 415 CO 0.44 -0.09 1.13 0.21 -2.50 0.00 0.00 175.30 174.49 1wj2 s LYS 416 N 0.93 4.57 0.00 5.12 2.20 -1.26 -2.38 119.74 128.92 1wj2 s LYS 416 Ca -0.04 1.76 0.00 0.00 -0.36 0.00 0.00 55.97 57.33 1wj2 s LYS 416 Cb -0.04 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1wj2 s LYS 416 CO -0.11 0.03 0.00 2.48 -0.36 0.00 0.00 175.35 177.39 1wj2 n TYR 417 N 2.36 0.00 -4.41 4.03 4.11 -1.20 -5.02 117.16 117.02 1wj2 n TYR 417 Ca 0.03 0.00 -0.24 0.00 -0.00 0.00 0.00 57.90 57.69 1wj2 n TYR 417 Cb 0.46 0.16 -0.13 0.00 -0.00 0.00 0.00 39.34 39.83 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 -4.42 1.16 -0.01 -7.48 0.00 -1.25 -5.08 107.32 90.24 1wj2 s GLY 418 Ca 0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 44.72 43.53 1wj2 s GLY 418 CO 0.00 -1.12 0.09 -0.86 0.00 0.00 0.00 173.10 171.21 1wj2 s GLN 419 N -1.59 0.31 0.21 2.90 -2.07 -1.26 -1.93 119.66 116.23 1wj2 s GLN 419 Ca 0.06 -0.23 0.11 0.00 -1.82 0.00 0.00 55.36 53.48 1wj2 s GLN 419 Cb -0.09 0.13 -0.05 0.00 -1.09 0.00 0.00 33.01 31.91 1wj2 s GLN 419 CO 0.03 -0.06 -0.21 0.21 -1.32 0.00 0.00 175.29 173.94 1wj2 s LYS 420 N -0.84 1.50 -0.24 9.60 2.20 -0.23 -5.02 119.74 126.71 1wj2 s LYS 420 Ca -0.09 -1.57 0.02 0.00 -0.36 0.00 0.00 55.97 53.97 1wj2 s LYS 420 Cb -0.05 -1.69 0.05 0.00 -1.51 0.00 0.00 37.83 34.63 1wj2 s LYS 420 CO 0.00 0.34 -0.10 0.54 -0.36 0.00 0.00 175.35 175.77 1wj2 s VAL 421 N -2.03 1.95 0.06 4.02 0.11 -1.26 -1.84 120.40 121.40 1wj2 s VAL 421 Ca 0.22 -1.40 -0.21 0.00 -2.93 0.00 0.00 61.98 57.66 1wj2 s VAL 421 Cb -0.06 -2.06 -0.06 0.00 -1.53 0.00 0.00 36.38 32.66 1wj2 s VAL 421 CO 0.10 0.03 0.62 -0.69 -3.33 0.00 0.00 175.10 171.83 1wj2 s VAL 422 N 1.22 4.74 0.20 2.04 1.01 -1.26 -5.05 120.40 123.31 1wj2 s VAL 422 Ca -0.06 1.32 -0.30 0.00 0.00 0.00 0.00 61.98 62.94 1wj2 s VAL 422 Cb -0.19 -3.95 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 1wj2 s VAL 422 CO -0.06 0.50 1.04 -1.59 0.00 0.00 0.00 175.10 174.98 1wj2 s LYS 423 N -0.76 4.69 0.00 2.72 -2.85 -1.26 -3.76 119.74 118.52 1wj2 s LYS 423 Ca 0.31 1.63 0.00 0.00 -1.00 0.00 0.00 55.97 56.91 1wj2 s LYS 423 Cb -0.20 -3.28 0.00 0.00 -2.06 0.00 0.00 37.83 32.30 1wj2 s LYS 423 CO 0.20 0.24 0.00 0.41 0.10 0.00 0.00 175.35 176.29 1wj2 n GLY 424 N 1.76 2.27 3.71 0.59 0.00 -1.26 -4.99 105.19 107.27 1wj2 n GLY 424 Ca 0.01 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 7.22 0.17 1.61 0.02 -1.25 -4.95 114.94 117.76 1wj2 s ASN 425 Ca 0.00 1.81 0.00 0.00 -1.02 0.00 0.00 52.86 53.65 1wj2 s ASN 425 Cb 0.00 -2.57 0.01 0.00 0.02 0.00 0.00 41.25 38.71 1wj2 s ASN 425 CO 0.00 -0.38 1.39 1.55 0.02 0.00 0.00 177.10 179.68 1wj2 h PRO 426 N 6.86 0.29 -6.30 -0.60 0.13 -1.94 -3.44 132.00 127.00 1wj2 h PRO 426 Ca -0.40 -0.29 -0.57 0.00 -0.87 0.00 0.00 66.00 63.87 1wj2 h PRO 426 Cb 1.21 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 1wj2 h PRO 426 CO 0.79 0.97 0.99 0.71 -0.23 0.00 0.00 178.00 181.23 1wj2 s TYR 427 N -3.36 2.60 1.16 1.56 2.02 -1.26 -5.01 117.35 115.06 1wj2 s TYR 427 Ca -0.04 0.82 -0.17 0.00 -0.37 0.00 0.00 57.07 57.31 1wj2 s TYR 427 Cb 0.10 -3.84 0.27 0.00 -0.40 0.00 0.00 41.96 38.09 1wj2 s TYR 427 CO 0.84 -1.98 1.07 -1.25 -1.57 0.00 0.00 175.55 172.66 1wj2 s PRO 428 N 4.12 -0.91 -0.33 -1.71 0.04 -1.26 -4.81 135.00 130.15 1wj2 s PRO 428 Ca 0.59 0.23 -0.01 0.00 0.04 0.00 0.00 61.00 61.84 1wj2 s PRO 428 Cb -0.19 -1.61 0.07 0.00 0.04 0.00 0.00 34.50 32.81 1wj2 s PRO 428 CO 0.23 -3.56 0.05 1.03 0.04 0.00 0.00 177.00 174.78 1wj2 s ARG 429 N -5.12 2.25 -0.12 4.56 0.52 -0.77 -4.69 118.95 115.58 1wj2 s ARG 429 Ca 0.69 -1.45 -0.09 0.00 -0.52 0.00 0.00 55.73 54.36 1wj2 s ARG 429 Cb -0.15 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.01 1wj2 s ARG 429 CO 0.58 -0.75 0.19 -1.12 0.02 0.00 0.00 175.30 174.22 1wj2 s SER 430 N 1.36 6.42 -0.33 0.23 0.01 -1.25 -1.07 113.70 119.07 1wj2 s SER 430 Ca -0.01 0.50 0.02 0.00 1.31 0.00 0.00 55.95 57.77 1wj2 s SER 430 Cb -0.20 -2.11 0.09 0.00 0.21 0.00 0.00 66.02 64.00 1wj2 s SER 430 CO -0.02 0.33 0.03 -0.31 0.41 0.00 0.00 173.24 173.68 1wj2 s TYR 431 N -0.68 3.56 0.46 2.43 2.02 -0.81 -2.49 117.35 121.83 1wj2 s TYR 431 Ca 0.15 -2.60 -0.00 0.00 -0.37 0.00 0.00 57.07 54.25 1wj2 s TYR 431 Cb -0.13 -2.63 -0.00 0.00 -0.40 0.00 0.00 41.96 38.80 1wj2 s TYR 431 CO 0.04 -0.92 0.69 0.71 -1.57 0.00 0.00 175.55 174.50 1wj2 s TYR 432 N 1.03 3.22 -0.24 2.71 2.02 -0.85 -3.25 117.35 121.99 1wj2 s TYR 432 Ca 0.04 0.25 -0.13 0.00 -0.37 0.00 0.00 57.07 56.86 1wj2 s TYR 432 Cb -0.20 -2.35 0.08 0.00 -0.40 0.00 0.00 41.96 39.09 1wj2 s TYR 432 CO -0.06 -0.40 0.57 -1.59 -1.57 0.00 0.00 175.55 172.51 1wj2 s LYS 433 N -4.59 0.57 -0.71 -0.62 0.00 -1.00 -0.85 119.74 112.54 1wj2 s LYS 433 Ca 0.49 1.09 -0.26 0.00 0.00 0.00 0.00 55.97 57.29 1wj2 s LYS 433 Cb -0.10 0.16 -0.05 0.00 0.00 0.00 0.00 37.83 37.83 1wj2 s LYS 433 CO 0.38 -0.16 2.04 0.00 0.00 0.00 0.00 175.35 177.61 1wj2 n THR 435 N 7.75 4.66 -3.30 0.00 5.66 -0.94 -2.44 114.28 125.67 1wj2 n THR 435 Ca 0.33 -5.07 -0.18 0.00 -3.05 0.00 0.00 64.05 56.07 1wj2 n THR 435 Cb 0.50 -2.33 0.00 0.00 -1.55 0.00 0.00 70.33 66.94 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 -0.57 3.61 -0.84 1.09 2.01 -0.90 -4.95 115.64 115.09 1wj2 s THR 436 Ca 0.36 -1.01 -0.21 0.00 0.31 0.00 0.00 61.69 61.14 1wj2 s THR 436 Cb 0.03 -3.24 -0.19 0.00 0.01 0.00 0.00 72.50 69.11 1wj2 s THR 436 CO 0.02 -0.09 2.23 -2.65 -0.69 0.00 0.00 174.62 173.44 1wj2 n PRO 437 N -1.71 0.33 0.00 4.92 -0.02 -1.26 -0.69 135.00 136.57 1wj2 n PRO 437 Ca 0.03 -0.72 0.00 0.00 -2.02 0.00 0.00 63.50 60.79 1wj2 n PRO 437 Cb 0.59 -2.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 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 6.28 2.98 3.79 -1.23 0.00 -1.26 -4.96 105.19 110.79 1wj2 n GLY 438 Ca 0.48 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.12 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 1.83 2.50 3.81 0.00 0.00 -1.22 -2.12 105.19 110.00 1wj2 n GLY 440 Ca -0.08 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.63 4.20 0.10 1.61 1.01 -1.02 -4.85 120.40 118.81 1wj2 s VAL 441 Ca 0.33 1.33 0.06 0.00 0.00 0.00 0.00 61.98 63.70 1wj2 s VAL 441 Cb 0.40 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1wj2 s VAL 441 CO -0.02 -0.34 -0.15 -0.13 0.00 0.00 0.00 175.10 174.46 1wj2 s ARG 442 N -3.31 0.97 -0.17 2.72 0.52 -0.67 0.83 118.95 119.84 1wj2 s ARG 442 Ca 0.63 -1.15 -0.10 0.00 -0.52 0.00 0.00 55.73 54.59 1wj2 s ARG 442 Cb -0.12 -0.93 0.06 0.00 0.52 0.00 0.00 34.95 34.48 1wj2 s ARG 442 CO 0.18 0.19 0.41 -1.59 0.02 0.00 0.00 175.30 174.51 1wj2 s LYS 443 N -2.31 0.41 -0.27 3.54 -2.85 -0.03 -0.86 119.74 117.37 1wj2 s LYS 443 Ca 0.05 0.75 -0.10 0.00 -1.00 0.00 0.00 55.97 55.68 1wj2 s LYS 443 Cb -0.07 0.03 -0.04 0.00 -2.06 0.00 0.00 37.83 35.69 1wj2 s LYS 443 CO 0.03 -0.14 0.15 -1.01 0.10 0.00 0.00 175.35 174.48 1wj2 s HIS 444 N 1.18 3.17 -0.57 1.78 3.76 -1.05 -2.00 115.29 121.56 1wj2 s HIS 444 Ca -0.08 -0.10 -0.11 0.00 -0.15 0.00 0.00 55.06 54.62 1wj2 s HIS 444 Cb -0.07 -2.34 0.14 0.00 1.11 0.00 0.00 32.58 31.43 1wj2 s HIS 444 CO -0.10 -0.25 0.47 0.08 -0.85 0.00 0.00 174.74 174.09 1wj2 s VAL 445 N 1.70 4.68 -0.16 -0.90 1.01 -1.04 -2.76 120.40 122.93 1wj2 s VAL 445 Ca 0.07 -1.96 -0.02 0.00 0.00 0.00 0.00 61.98 60.07 1wj2 s VAL 445 Cb -0.16 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 1wj2 s VAL 445 CO 0.08 -0.86 -0.09 -0.70 0.00 0.00 0.00 175.10 173.54 1wj2 s GLU 446 N 1.06 3.43 -0.39 2.72 -6.30 -0.76 -3.76 118.70 114.71 1wj2 s GLU 446 Ca 0.08 -0.64 -0.14 0.00 -2.50 0.00 0.00 54.97 51.78 1wj2 s GLU 446 Cb -0.24 -2.79 0.01 0.00 0.00 0.00 0.00 34.13 31.11 1wj2 s GLU 446 CO -0.02 0.10 0.27 1.03 0.02 0.00 0.00 175.26 176.66 1wj2 s ARG 447 N 0.67 3.08 -0.05 4.30 0.52 -1.26 -0.62 118.95 125.61 1wj2 s ARG 447 Ca -0.05 -0.93 -0.30 0.00 -0.52 0.00 0.00 55.73 53.93 1wj2 s ARG 447 Cb -0.15 -3.89 -0.06 0.00 0.52 0.00 0.00 34.95 31.36 1wj2 s ARG 447 CO 0.02 -0.66 1.75 0.00 0.02 0.00 0.00 175.30 176.43 1wj2 s ALA 448 N 1.67 3.56 -0.09 2.13 0.00 0.60 -4.88 121.76 124.75 1wj2 s ALA 448 Ca 0.05 1.00 0.14 0.00 0.00 0.00 0.00 51.96 53.16 1wj2 s ALA 448 Cb -0.19 -3.79 -0.09 0.00 0.00 0.00 0.00 23.12 19.05 1wj2 s ALA 448 CO 0.10 -1.52 1.07 0.00 0.00 0.00 0.00 175.76 175.40 1wj2 h ALA 449 N 10.07 0.63 -0.93 0.00 0.00 -1.97 -3.03 119.26 124.03 1wj2 h ALA 449 Ca -0.42 -0.79 0.15 0.00 0.00 0.00 0.00 54.91 53.86 1wj2 h ALA 449 Cb 1.19 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 1wj2 h ALA 449 CO 0.95 0.93 0.59 1.79 0.00 0.00 0.00 179.25 183.52 1wj2 h THR 450 N 0.00 0.82 -2.67 0.00 1.35 -1.97 -3.42 112.91 107.01 1wj2 h THR 450 Ca -0.10 -0.25 -0.46 0.00 -0.55 0.00 0.00 66.41 65.05 1wj2 h THR 450 Cb 1.59 0.03 0.02 0.00 -1.73 0.00 0.00 68.15 68.06 1wj2 h THR 450 CO 0.07 0.13 -0.13 -0.62 -0.25 0.00 0.00 175.52 174.72 1wj2 s ASP 451 N -5.70 5.93 0.43 5.36 2.15 -1.25 -4.98 116.67 118.61 1wj2 s ASP 451 Ca -0.10 0.28 0.21 0.00 0.43 0.00 0.00 52.55 53.36 1wj2 s ASP 451 Cb 0.23 -1.60 1.16 0.00 -0.30 0.00 0.00 42.92 42.41 1wj2 s ASP 451 CO 0.79 -0.60 1.83 -0.65 -0.17 0.00 0.00 175.17 176.37 1wj2 h PRO 452 N 0.51 0.32 -0.14 4.34 0.11 -1.87 -3.38 132.00 131.89 1wj2 h PRO 452 Ca -0.47 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.64 1wj2 h PRO 452 Cb 1.25 -0.07 -0.15 0.00 0.11 0.00 0.00 31.00 32.13 1wj2 h PRO 452 CO 0.58 0.21 -0.10 1.17 -0.21 0.00 0.00 178.00 179.64 1wj2 n LYS 453 N -4.50 0.08 -4.08 1.05 4.81 -1.26 -5.08 118.16 109.19 1wj2 n LYS 453 Ca 0.21 -0.73 -0.32 0.00 -0.87 0.00 0.00 58.31 56.60 1wj2 n LYS 453 Cb 0.82 0.19 -0.07 0.00 0.02 0.00 0.00 35.03 35.99 1wj2 n LYS 453 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wj2 s ALA 454 N 0.94 3.61 -0.24 3.14 0.00 -1.15 -5.00 121.76 123.07 1wj2 s ALA 454 Ca 0.23 -0.89 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 1wj2 s ALA 454 Cb 0.14 -1.58 0.09 0.00 0.00 0.00 0.00 23.12 21.77 1wj2 s ALA 454 CO -0.11 0.71 0.15 0.08 0.00 0.00 0.00 175.76 176.59 1wj2 s VAL 455 N -1.25 -0.15 -0.18 0.00 1.01 -1.26 -0.29 120.40 118.29 1wj2 s VAL 455 Ca 0.25 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 1wj2 s VAL 455 Cb -0.12 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1wj2 s VAL 455 CO 0.16 -0.48 0.09 0.54 0.00 0.00 0.00 175.10 175.41 1wj2 s VAL 456 N 2.17 5.06 0.04 2.92 0.11 0.21 -4.98 120.40 125.94 1wj2 s VAL 456 Ca 0.06 0.06 0.06 0.00 -2.93 0.00 0.00 61.98 59.23 1wj2 s VAL 456 Cb -0.16 -3.28 -0.02 0.00 -1.53 0.00 0.00 36.38 31.39 1wj2 s VAL 456 CO -0.24 0.48 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.96 1wj2 s THR 457 N 0.18 1.26 -0.18 5.04 2.01 -1.26 -1.82 115.64 120.87 1wj2 s THR 457 Ca 0.06 -1.08 -0.02 0.00 0.31 0.00 0.00 61.69 60.96 1wj2 s THR 457 Cb -0.12 -1.13 0.05 0.00 0.01 0.00 0.00 72.50 71.31 1wj2 s THR 457 CO -0.00 0.03 0.03 -0.89 -0.69 0.00 0.00 174.62 173.10 1wj2 s THR 458 N -0.87 0.54 0.19 -0.82 2.01 -1.11 -4.98 115.64 110.59 1wj2 s THR 458 Ca 0.03 -0.47 -0.16 0.00 0.31 0.00 0.00 61.69 61.40 1wj2 s THR 458 Cb -0.08 -0.98 -0.08 0.00 0.01 0.00 0.00 72.50 71.37 1wj2 s THR 458 CO 0.02 -0.12 0.62 -0.31 -0.69 0.00 0.00 174.62 174.13 1wj2 s TYR 459 N 1.86 3.60 -0.06 4.92 1.51 -1.26 -2.53 117.35 125.38 1wj2 s TYR 459 Ca -0.00 1.18 -0.03 0.00 -1.01 0.00 0.00 57.07 57.21 1wj2 s TYR 459 Cb -0.16 -2.46 0.04 0.00 -0.11 0.00 0.00 41.96 39.26 1wj2 s TYR 459 CO -0.08 0.37 0.10 -1.21 -1.11 0.00 0.00 175.55 173.62 1wj2 s GLU 460 N -2.07 -0.03 0.00 -0.62 0.41 -0.04 -5.00 118.70 111.36 1wj2 s GLU 460 Ca 0.41 0.46 0.00 0.00 -0.41 0.00 0.00 54.97 55.43 1wj2 s GLU 460 Cb -0.15 -0.41 0.00 0.00 -1.78 0.00 0.00 34.13 31.79 1wj2 s GLU 460 CO 0.20 -0.32 0.00 0.41 -0.49 0.00 0.00 175.26 175.06 1wj2 n GLY 461 N 5.31 2.12 3.92 -1.39 0.00 -1.26 -1.68 105.19 112.21 1wj2 n GLY 461 Ca -0.04 -1.56 -0.28 0.00 0.00 0.00 0.00 46.02 44.15 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 -5.00 3.56 0.25 1.61 1.02 -1.26 -4.80 119.74 115.12 1wj2 s LYS 462 Ca 0.00 -0.23 -0.30 0.00 0.02 0.00 0.00 55.97 55.46 1wj2 s LYS 462 Cb 0.00 -2.80 -0.09 0.00 -0.52 0.00 0.00 37.83 34.42 1wj2 s LYS 462 CO 0.00 0.36 0.99 -1.01 -0.92 0.00 0.00 175.35 174.78 1wj2 s HIS 463 N -1.90 3.85 -0.21 3.18 3.76 -1.26 -4.82 115.29 117.89 1wj2 s HIS 463 Ca 0.40 1.85 0.11 0.00 -0.15 0.00 0.00 55.06 57.27 1wj2 s HIS 463 Cb -0.11 -3.08 0.42 0.00 1.11 0.00 0.00 32.58 30.92 1wj2 s HIS 463 CO 0.29 0.12 1.23 0.27 -0.85 0.00 0.00 174.74 175.80 1wj2 n ASN 464 N 1.38 1.77 -3.84 1.40 6.94 -1.26 -5.01 115.26 116.65 1wj2 n ASN 464 Ca -0.02 -3.87 -0.12 0.00 -0.02 0.00 0.00 54.58 50.55 1wj2 n ASN 464 Cb 0.46 -0.53 -0.14 0.00 -2.36 0.00 0.00 39.78 37.21 1wj2 n ASN 464 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 1wj2 s HIS 465 N -3.23 -0.07 0.55 -2.53 -3.43 -1.26 -4.90 115.29 100.42 1wj2 s HIS 465 Ca 0.38 0.19 -0.21 0.00 -0.80 0.00 0.00 55.06 54.61 1wj2 s HIS 465 Cb 0.37 0.01 -0.05 0.00 -1.43 0.00 0.00 32.58 31.48 1wj2 s HIS 465 CO -0.06 -0.04 1.28 -0.25 -2.00 0.00 0.00 174.74 173.67 1wj2 n ASP 466 N 3.14 2.33 -4.69 7.38 9.92 -1.26 -4.90 116.55 128.47 1wj2 n ASP 466 Ca -0.13 0.95 -0.42 0.00 -0.53 0.00 0.00 54.79 54.66 1wj2 n ASP 466 Cb 0.59 -1.54 -0.03 0.00 -0.64 0.00 0.00 41.12 39.50 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 -3.10 4.36 0.88 0.64 1.02 -1.26 -4.99 118.68 116.22 1wj2 s LEU 467 Ca 0.72 2.42 -0.12 0.00 0.02 0.00 0.00 54.13 57.17 1wj2 s LEU 467 Cb -0.43 -3.56 0.12 0.00 0.02 0.00 0.00 46.19 42.34 1wj2 s LEU 467 CO 0.49 -0.87 1.09 -2.16 0.02 0.00 0.00 176.35 174.92 1wj2 s PRO 468 N 2.75 1.41 0.00 1.29 0.04 -1.26 -5.18 135.00 134.05 1wj2 s PRO 468 Ca 0.73 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1wj2 s PRO 468 Cb -0.38 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1wj2 s PRO 468 CO 0.31 -2.12 0.27 0.00 0.04 0.00 0.00 177.00 175.51