#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 3.72 0.00 7.34 -0.21 -1.26 -4.98 119.66 124.28 1wj2 s GLN 400 Ca 0.00 -0.48 0.00 0.00 0.02 0.00 0.00 55.36 54.90 1wj2 s GLN 400 Cb 0.00 -3.04 0.00 0.00 1.00 0.00 0.00 33.01 30.97 1wj2 s GLN 400 CO 0.00 0.18 0.00 2.41 -2.12 0.00 0.00 175.29 175.76 1wj2 n THR 401 N 3.76 0.00 -3.05 -0.19 -1.04 -1.26 -5.10 114.28 107.40 1wj2 n THR 401 Ca -0.17 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.87 1wj2 n THR 401 Cb 0.52 -0.56 -0.00 0.00 -1.82 0.00 0.00 70.33 68.47 1wj2 n THR 401 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1wj2 s THR 402 N -0.97 -0.50 -0.37 12.58 -4.23 -1.26 -5.13 115.64 115.76 1wj2 s THR 402 Ca 0.00 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.31 1wj2 s THR 402 Cb 0.00 -0.28 0.01 0.00 1.34 0.00 0.00 72.50 73.56 1wj2 s THR 402 CO 0.00 0.00 0.63 -0.44 -0.54 0.00 0.00 174.62 174.27 1wj2 s SER 403 N 2.48 6.39 -1.24 3.99 0.01 -1.26 -4.98 113.70 119.10 1wj2 s SER 403 Ca 0.19 0.03 -0.20 0.00 1.31 0.00 0.00 55.95 57.27 1wj2 s SER 403 Cb -0.02 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.88 1wj2 s SER 403 CO -0.19 -0.62 1.84 1.21 0.41 0.00 0.00 173.24 175.89 1wj2 n GLU 404 N 6.07 2.40 -2.14 12.44 2.13 -1.26 -4.90 120.64 135.39 1wj2 n GLU 404 Ca -0.02 -2.86 -0.29 0.00 0.66 0.00 0.00 57.16 54.65 1wj2 n GLU 404 Cb 0.48 -3.60 -0.05 0.00 0.27 0.00 0.00 31.44 28.55 1wj2 n GLU 404 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1wj2 s VAL 405 N 7.50 3.53 0.20 6.31 -7.23 -1.26 -4.76 120.40 124.69 1wj2 s VAL 405 Ca 0.61 -0.46 0.06 0.00 -1.81 0.00 0.00 61.98 60.38 1wj2 s VAL 405 Cb 0.02 -4.20 -0.11 0.00 0.56 0.00 0.00 36.38 32.65 1wj2 s VAL 405 CO 0.11 -1.12 1.45 0.44 -0.31 0.00 0.00 175.10 175.67 1wj2 h ASP 406 N 10.98 0.14 -2.80 4.85 3.32 -2.05 -3.44 116.42 127.42 1wj2 h ASP 406 Ca 0.12 -0.11 -0.55 0.00 0.02 0.00 0.00 57.03 56.51 1wj2 h ASP 406 Cb 1.00 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 1wj2 h ASP 406 CO 1.25 0.87 0.94 -0.76 -1.72 0.00 0.00 179.24 179.81 1wj2 s LEU 407 N -7.43 4.29 -0.11 1.55 1.43 -1.26 -4.99 118.68 112.16 1wj2 s LEU 407 Ca -0.02 2.07 -0.23 0.00 -1.03 0.00 0.00 54.13 54.92 1wj2 s LEU 407 Cb 0.11 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 1wj2 s LEU 407 CO 0.80 -0.80 0.70 -0.76 0.23 0.00 0.00 176.35 176.52 1wj2 s LEU 408 N 3.19 4.26 -0.63 1.79 2.01 -1.26 -5.01 118.68 123.03 1wj2 s LEU 408 Ca 0.65 1.10 -0.28 0.00 0.01 0.00 0.00 54.13 55.62 1wj2 s LEU 408 Cb -0.30 -3.05 0.03 0.00 0.01 0.00 0.00 46.19 42.87 1wj2 s LEU 408 CO 0.25 -0.19 1.29 -0.62 1.01 0.00 0.00 176.35 178.09 1wj2 s ASP 409 N 0.93 6.26 -0.14 2.29 2.15 -1.26 -4.78 116.67 122.11 1wj2 s ASP 409 Ca 0.35 -0.04 0.08 0.00 0.43 0.00 0.00 52.55 53.37 1wj2 s ASP 409 Cb -0.17 -2.55 -0.14 0.00 -0.30 0.00 0.00 42.92 39.76 1wj2 s ASP 409 CO 0.15 -1.67 -0.02 -0.67 -0.17 0.00 0.00 175.17 172.79 1wj2 n ASP 410 N 9.10 2.19 0.02 -0.34 2.03 -1.26 -5.04 116.55 123.25 1wj2 n ASP 410 Ca 0.08 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1wj2 n ASP 410 Cb 0.49 0.43 0.00 0.00 -0.72 0.00 0.00 41.12 41.32 1wj2 n ASP 410 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wj2 n GLY 411 N 2.40 -1.56 3.92 0.27 0.00 -1.26 -5.05 105.19 103.91 1wj2 n GLY 411 Ca -0.23 0.62 -0.30 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.86 1.66 -0.29 1.61 2.02 -1.26 -4.43 117.35 114.80 1wj2 s TYR 412 Ca 0.00 0.36 0.03 0.00 -0.37 0.00 0.00 57.07 57.09 1wj2 s TYR 412 Cb 0.00 -4.05 0.08 0.00 -0.40 0.00 0.00 41.96 37.59 1wj2 s TYR 412 CO 0.00 -2.63 -0.03 1.03 -1.57 0.00 0.00 175.55 172.35 1wj2 s ARG 413 N -5.85 1.76 0.30 -0.62 0.52 -1.26 -4.96 118.95 108.84 1wj2 s ARG 413 Ca 0.73 -1.48 0.06 0.00 -0.52 0.00 0.00 55.73 54.53 1wj2 s ARG 413 Cb -0.05 -2.91 -0.02 0.00 0.52 0.00 0.00 34.95 32.49 1wj2 s ARG 413 CO 0.53 -0.74 0.35 -1.58 0.02 0.00 0.00 175.30 173.88 1wj2 s TRP 414 N 1.10 3.14 -0.22 -0.53 0.52 -1.26 -1.74 118.94 119.95 1wj2 s TRP 414 Ca 0.00 -0.17 -0.19 0.00 0.02 0.00 0.00 56.10 55.76 1wj2 s TRP 414 Cb -0.19 -1.73 0.06 0.00 -1.15 0.00 0.00 33.47 30.46 1wj2 s TRP 414 CO -0.08 0.25 0.58 0.50 0.02 0.00 0.00 176.95 178.23 1wj2 s ARG 415 N -4.02 0.67 0.48 4.98 6.06 -0.41 -4.83 118.95 121.88 1wj2 s ARG 415 Ca 0.39 0.84 -0.22 0.00 -2.50 0.00 0.00 55.73 54.24 1wj2 s ARG 415 Cb -0.08 0.30 -0.07 0.00 0.06 0.00 0.00 34.95 35.16 1wj2 s ARG 415 CO 0.28 -0.09 1.19 0.21 -2.50 0.00 0.00 175.30 174.39 1wj2 s LYS 416 N 0.48 3.61 0.00 5.12 2.20 -1.26 -1.40 119.74 128.48 1wj2 s LYS 416 Ca -0.01 1.83 0.00 0.00 -0.36 0.00 0.00 55.97 57.43 1wj2 s LYS 416 Cb -0.04 -2.34 0.00 0.00 -1.51 0.00 0.00 37.83 33.94 1wj2 s LYS 416 CO -0.02 -0.69 0.00 2.48 -0.36 0.00 0.00 175.35 176.76 1wj2 n TYR 417 N -0.66 0.00 -4.26 4.03 4.11 -1.12 -4.93 117.16 114.32 1wj2 n TYR 417 Ca 0.08 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 57.81 1wj2 n TYR 417 Cb 0.48 0.33 -0.15 0.00 -0.00 0.00 0.00 39.34 40.00 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 -4.43 0.37 -0.19 -7.48 0.00 -1.25 -5.08 107.32 89.26 1wj2 s GLY 418 Ca 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 44.72 44.40 1wj2 s GLY 418 CO 0.00 -0.16 0.16 -0.86 0.00 0.00 0.00 173.10 172.24 1wj2 s GLN 419 N -0.01 0.13 0.46 2.90 0.00 -1.26 -1.99 119.66 119.89 1wj2 s GLN 419 Ca 0.01 0.06 0.05 0.00 -0.00 0.00 0.00 55.36 55.47 1wj2 s GLN 419 Cb -0.05 -1.49 0.02 0.00 0.00 0.00 0.00 33.01 31.49 1wj2 s GLN 419 CO -0.00 -0.67 0.64 -1.59 0.00 0.00 0.00 175.29 173.67 1wj2 s LYS 420 N 2.24 2.76 0.08 9.60 -2.85 -0.62 -4.92 119.74 126.03 1wj2 s LYS 420 Ca 0.05 -1.02 0.07 0.00 -1.00 0.00 0.00 55.97 54.07 1wj2 s LYS 420 Cb -0.16 -2.66 -0.03 0.00 -2.06 0.00 0.00 37.83 32.92 1wj2 s LYS 420 CO -0.11 -0.40 -0.19 0.54 0.10 0.00 0.00 175.35 175.29 1wj2 s VAL 421 N -2.49 1.55 -0.10 1.79 0.11 -1.26 -1.28 120.40 118.71 1wj2 s VAL 421 Ca 0.55 -1.39 -0.03 0.00 -2.93 0.00 0.00 61.98 58.18 1wj2 s VAL 421 Cb -0.10 -1.41 -0.03 0.00 -1.53 0.00 0.00 36.38 33.31 1wj2 s VAL 421 CO 0.35 -0.03 0.02 -0.69 -3.33 0.00 0.00 175.10 171.42 1wj2 s VAL 422 N -1.09 4.47 -0.86 2.04 1.01 -1.26 -4.99 120.40 119.72 1wj2 s VAL 422 Ca 0.05 -0.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.59 1wj2 s VAL 422 Cb -0.10 -2.90 0.02 0.00 0.00 0.00 0.00 36.38 33.41 1wj2 s VAL 422 CO 0.03 0.59 1.49 -0.54 0.00 0.00 0.00 175.10 176.67 1wj2 s LYS 423 N -0.76 3.22 0.00 2.72 1.02 -1.26 -3.56 119.74 121.12 1wj2 s LYS 423 Ca 0.12 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.59 1wj2 s LYS 423 Cb -0.12 -4.80 0.00 0.00 -0.52 0.00 0.00 37.83 32.40 1wj2 s LYS 423 CO 0.02 -2.38 0.00 0.41 -0.92 0.00 0.00 175.35 172.48 1wj2 n GLY 424 N 6.21 3.87 3.73 -3.33 0.00 -1.26 -5.11 105.19 109.31 1wj2 n GLY 424 Ca 0.22 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 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 7.26 0.24 1.61 0.01 -1.23 -4.95 114.94 117.87 1wj2 s ASN 425 Ca 0.00 2.04 0.10 0.00 -0.71 0.00 0.00 52.86 54.29 1wj2 s ASN 425 Cb 0.00 -2.60 0.22 0.00 0.41 0.00 0.00 41.25 39.28 1wj2 s ASN 425 CO 0.00 -0.25 1.53 1.55 -1.51 0.00 0.00 177.10 178.41 1wj2 h PRO 426 N 5.50 0.00 -6.00 -0.60 0.13 -1.96 -3.43 132.00 125.64 1wj2 h PRO 426 Ca -0.44 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.11 1wj2 h PRO 426 Cb 1.21 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 1wj2 h PRO 426 CO 0.74 0.70 0.55 0.71 -0.23 0.00 0.00 178.00 180.47 1wj2 s TYR 427 N -3.34 3.39 0.96 1.56 2.02 -1.26 -5.05 117.35 115.63 1wj2 s TYR 427 Ca -0.00 1.34 -0.12 0.00 -0.37 0.00 0.00 57.07 57.92 1wj2 s TYR 427 Cb 0.12 -3.12 0.17 0.00 -0.40 0.00 0.00 41.96 38.72 1wj2 s TYR 427 CO 0.77 -0.34 1.11 -1.25 -1.57 0.00 0.00 175.55 174.27 1wj2 s PRO 428 N 2.58 0.74 -0.41 -1.71 0.04 -1.26 -4.76 135.00 130.22 1wj2 s PRO 428 Ca 0.41 0.45 -0.07 0.00 0.04 0.00 0.00 61.00 61.82 1wj2 s PRO 428 Cb -0.16 -1.78 0.08 0.00 0.04 0.00 0.00 34.50 32.68 1wj2 s PRO 428 CO 0.10 -2.51 0.22 1.03 0.04 0.00 0.00 177.00 175.89 1wj2 s ARG 429 N -5.08 2.49 -0.01 4.56 0.52 -0.41 -4.63 118.95 116.39 1wj2 s ARG 429 Ca 0.65 -1.50 -0.05 0.00 -0.52 0.00 0.00 55.73 54.30 1wj2 s ARG 429 Cb -0.17 -3.69 -0.04 0.00 0.52 0.00 0.00 34.95 31.57 1wj2 s ARG 429 CO 0.56 -0.94 0.22 -1.12 0.02 0.00 0.00 175.30 174.04 1wj2 s SER 430 N 1.99 6.44 -0.03 0.23 0.01 -1.25 -1.59 113.70 119.49 1wj2 s SER 430 Ca 0.03 0.47 0.02 0.00 1.31 0.00 0.00 55.95 57.78 1wj2 s SER 430 Cb -0.23 -2.05 0.01 0.00 0.21 0.00 0.00 66.02 63.95 1wj2 s SER 430 CO 0.01 0.28 -0.08 -0.31 0.41 0.00 0.00 173.24 173.54 1wj2 s TYR 431 N -1.27 0.92 0.53 2.43 2.02 -0.84 -1.81 117.35 119.32 1wj2 s TYR 431 Ca 0.26 -0.23 0.02 0.00 -0.37 0.00 0.00 57.07 56.75 1wj2 s TYR 431 Cb -0.13 -0.67 0.01 0.00 -0.40 0.00 0.00 41.96 40.77 1wj2 s TYR 431 CO 0.15 -0.11 0.14 0.71 -1.57 0.00 0.00 175.55 174.88 1wj2 s TYR 432 N 0.27 1.73 -0.29 2.71 1.51 -0.40 -2.80 117.35 120.09 1wj2 s TYR 432 Ca -0.04 -0.93 -0.17 0.00 -1.01 0.00 0.00 57.07 54.92 1wj2 s TYR 432 Cb -0.09 -1.71 0.12 0.00 -0.11 0.00 0.00 41.96 40.17 1wj2 s TYR 432 CO 0.01 -0.03 0.89 -1.59 -1.11 0.00 0.00 175.55 173.71 1wj2 s LYS 433 N -4.03 0.49 -0.61 -0.62 -2.85 -0.49 -0.52 119.74 111.10 1wj2 s LYS 433 Ca 0.14 0.83 -0.26 0.00 -1.00 0.00 0.00 55.97 55.68 1wj2 s LYS 433 Cb -0.00 0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.83 1wj2 s LYS 433 CO 0.09 -0.10 2.07 0.00 0.10 0.00 0.00 175.35 177.50 1wj2 n THR 435 N 7.60 5.00 -3.96 0.00 5.66 -0.71 -2.71 114.28 125.15 1wj2 n THR 435 Ca 0.29 -5.27 -0.22 0.00 -3.05 0.00 0.00 64.05 55.79 1wj2 n THR 435 Cb 0.52 -2.16 -0.02 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 -1.58 5.27 -0.86 1.09 2.01 -1.02 -4.96 115.64 115.60 1wj2 s THR 436 Ca 0.36 -0.92 -0.20 0.00 0.31 0.00 0.00 61.69 61.25 1wj2 s THR 436 Cb 0.08 -3.83 -0.21 0.00 0.01 0.00 0.00 72.50 68.55 1wj2 s THR 436 CO 0.05 -0.27 2.29 -2.65 -0.69 0.00 0.00 174.62 173.35 1wj2 n PRO 437 N -1.19 0.34 0.00 4.92 -0.02 -1.26 -0.37 135.00 137.41 1wj2 n PRO 437 Ca -0.08 -0.57 0.00 0.00 -2.02 0.00 0.00 63.50 60.83 1wj2 n PRO 437 Cb 0.56 -2.71 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 6.30 2.54 3.70 -1.23 0.00 -1.26 -4.99 105.19 110.25 1wj2 n GLY 438 Ca 0.53 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.15 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 3.20 4.51 3.84 0.00 0.00 -1.25 -2.42 105.19 113.07 1wj2 n GLY 440 Ca 0.00 -2.29 -0.37 0.00 0.00 0.00 0.00 46.02 43.36 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 -3.09 4.92 -0.06 1.61 1.01 -1.10 -4.93 120.40 118.76 1wj2 s VAL 441 Ca 0.43 0.87 0.04 0.00 0.00 0.00 0.00 61.98 63.32 1wj2 s VAL 441 Cb 0.27 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1wj2 s VAL 441 CO -0.10 0.44 -0.18 -0.13 0.00 0.00 0.00 175.10 175.14 1wj2 s ARG 442 N -1.44 2.08 0.15 2.72 0.52 -1.00 0.12 118.95 122.10 1wj2 s ARG 442 Ca 0.30 -0.62 0.06 0.00 -0.52 0.00 0.00 55.73 54.95 1wj2 s ARG 442 Cb -0.17 -1.71 -0.04 0.00 0.52 0.00 0.00 34.95 33.56 1wj2 s ARG 442 CO 0.17 0.17 -0.13 -1.59 0.02 0.00 0.00 175.30 173.94 1wj2 s LYS 443 N 0.29 1.11 0.02 3.54 -2.85 0.32 -1.61 119.74 120.56 1wj2 s LYS 443 Ca -0.11 -1.39 0.06 0.00 -1.00 0.00 0.00 55.97 53.54 1wj2 s LYS 443 Cb -0.14 -0.87 -0.02 0.00 -2.06 0.00 0.00 37.83 34.73 1wj2 s LYS 443 CO 0.04 0.15 -0.19 -1.01 0.10 0.00 0.00 175.35 174.44 1wj2 s HIS 444 N -2.70 1.67 -0.56 1.78 3.76 -0.46 -1.28 115.29 117.50 1wj2 s HIS 444 Ca 0.15 -0.35 0.04 0.00 -0.15 0.00 0.00 55.06 54.75 1wj2 s HIS 444 Cb -0.02 -1.02 0.15 0.00 1.11 0.00 0.00 32.58 32.80 1wj2 s HIS 444 CO 0.03 0.04 0.36 0.08 -0.85 0.00 0.00 174.74 174.41 1wj2 s VAL 445 N -0.68 2.13 0.40 -0.90 1.01 -0.75 -1.71 120.40 119.90 1wj2 s VAL 445 Ca 0.06 -3.45 -0.13 0.00 0.00 0.00 0.00 61.98 58.46 1wj2 s VAL 445 Cb -0.08 -2.44 -0.08 0.00 0.00 0.00 0.00 36.38 33.78 1wj2 s VAL 445 CO 0.01 -0.97 0.80 -1.61 0.00 0.00 0.00 175.10 173.33 1wj2 s GLU 446 N -0.58 3.88 -0.36 2.72 2.02 -0.51 -3.78 118.70 122.10 1wj2 s GLU 446 Ca 0.23 0.62 0.01 0.00 0.02 0.00 0.00 54.97 55.85 1wj2 s GLU 446 Cb -0.13 -2.35 0.11 0.00 0.10 0.00 0.00 34.13 31.86 1wj2 s GLU 446 CO -0.10 -0.02 0.13 1.03 0.02 0.00 0.00 175.26 176.32 1wj2 s ARG 447 N -3.61 1.09 0.15 1.61 0.52 -1.26 -1.81 118.95 115.64 1wj2 s ARG 447 Ca 0.54 -1.56 -0.31 0.00 -0.52 0.00 0.00 55.73 53.88 1wj2 s ARG 447 Cb -0.10 -2.43 -0.09 0.00 0.52 0.00 0.00 34.95 32.85 1wj2 s ARG 447 CO 0.27 -1.02 1.43 0.00 0.02 0.00 0.00 175.30 176.00 1wj2 s ALA 448 N 1.06 3.64 -0.23 2.13 0.00 0.20 -4.87 121.76 123.69 1wj2 s ALA 448 Ca 0.12 1.20 0.22 0.00 0.00 0.00 0.00 51.96 53.50 1wj2 s ALA 448 Cb -0.20 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.36 1wj2 s ALA 448 CO -0.14 -0.66 1.04 0.00 0.00 0.00 0.00 175.76 176.00 1wj2 h ALA 449 N 6.49 0.54 -0.96 0.00 0.00 -1.97 -2.97 119.26 120.38 1wj2 h ALA 449 Ca -0.43 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 54.56 1wj2 h ALA 449 Cb 1.21 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 1wj2 h ALA 449 CO 0.86 0.13 0.61 1.79 0.00 0.00 0.00 179.25 182.64 1wj2 h THR 450 N 0.00 0.69 -1.92 0.00 1.35 -1.97 -3.42 112.91 107.65 1wj2 h THR 450 Ca -0.02 -0.20 -0.45 0.00 -0.55 0.00 0.00 66.41 65.19 1wj2 h THR 450 Cb 1.08 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1wj2 h THR 450 CO 0.01 0.11 -0.37 -0.62 -0.25 0.00 0.00 175.52 174.40 1wj2 s ASP 451 N -5.52 6.08 0.56 5.36 2.15 -1.26 -4.98 116.67 119.06 1wj2 s ASP 451 Ca -0.10 -0.11 0.30 0.00 0.43 0.00 0.00 52.55 53.08 1wj2 s ASP 451 Cb 0.24 -1.42 1.46 0.00 -0.30 0.00 0.00 42.92 42.90 1wj2 s ASP 451 CO 0.79 -0.33 1.87 -0.65 -0.17 0.00 0.00 175.17 176.68 1wj2 h PRO 452 N 0.97 0.00 -0.04 4.34 0.11 -1.89 -3.36 132.00 132.13 1wj2 h PRO 452 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1wj2 h PRO 452 Cb 1.25 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.22 1wj2 h PRO 452 CO 0.55 0.00 -0.04 0.36 -0.21 0.00 0.00 178.00 178.66 1wj2 n LYS 453 N -3.99 0.05 -3.24 1.05 -0.00 -1.26 -5.09 118.16 105.68 1wj2 n LYS 453 Ca 0.15 -0.60 -0.39 0.00 -0.00 0.00 0.00 58.31 57.46 1wj2 n LYS 453 Cb 0.87 0.18 -0.06 0.00 -0.00 0.00 0.00 35.03 36.02 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 0.63 3.50 -0.52 0.58 0.00 -1.12 -5.00 121.76 119.83 1wj2 s ALA 454 Ca 0.24 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 51.96 1wj2 s ALA 454 Cb 0.17 -2.79 0.15 0.00 0.00 0.00 0.00 23.12 20.65 1wj2 s ALA 454 CO -0.10 -0.28 0.33 0.08 0.00 0.00 0.00 175.76 175.79 1wj2 s VAL 455 N 1.27 1.75 0.18 0.00 1.01 -1.26 -0.63 120.40 122.72 1wj2 s VAL 455 Ca 0.26 -3.13 -0.24 0.00 0.00 0.00 0.00 61.98 58.87 1wj2 s VAL 455 Cb -0.16 -2.19 -0.08 0.00 0.00 0.00 0.00 36.38 33.95 1wj2 s VAL 455 CO 0.11 -0.98 0.76 0.54 0.00 0.00 0.00 175.10 175.53 1wj2 s VAL 456 N -0.27 4.42 0.06 2.92 0.11 -0.75 -4.94 120.40 121.94 1wj2 s VAL 456 Ca 0.22 1.59 0.06 0.00 -2.93 0.00 0.00 61.98 60.93 1wj2 s VAL 456 Cb -0.14 -4.06 -0.03 0.00 -1.53 0.00 0.00 36.38 30.63 1wj2 s VAL 456 CO -0.08 0.44 -0.17 -0.89 -3.33 0.00 0.00 175.10 171.07 1wj2 s THR 457 N -1.25 1.37 -0.05 5.04 2.01 -1.26 -1.42 115.64 120.08 1wj2 s THR 457 Ca 0.38 -1.19 0.02 0.00 0.31 0.00 0.00 61.69 61.20 1wj2 s THR 457 Cb -0.21 -1.23 0.01 0.00 0.01 0.00 0.00 72.50 71.08 1wj2 s THR 457 CO 0.25 0.01 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.21 1wj2 s THR 458 N -0.95 0.86 -0.17 -0.82 2.01 -0.70 -4.97 115.64 110.89 1wj2 s THR 458 Ca 0.03 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 1wj2 s THR 458 Cb -0.09 -0.80 -0.00 0.00 0.01 0.00 0.00 72.50 71.62 1wj2 s THR 458 CO 0.02 0.28 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.80 1wj2 s TYR 459 N 0.55 2.84 -0.16 4.92 1.51 -1.26 -1.36 117.35 124.39 1wj2 s TYR 459 Ca -0.10 -1.06 0.01 0.00 -1.01 0.00 0.00 57.07 54.91 1wj2 s TYR 459 Cb -0.13 -1.95 0.02 0.00 -0.11 0.00 0.00 41.96 39.79 1wj2 s TYR 459 CO 0.02 -0.52 -0.16 -1.21 -1.11 0.00 0.00 175.55 172.57 1wj2 s GLU 460 N 1.02 2.51 0.00 -0.62 2.02 -0.63 -5.03 118.70 117.96 1wj2 s GLU 460 Ca -0.01 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.32 1wj2 s GLU 460 Cb -0.15 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.82 1wj2 s GLU 460 CO -0.02 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.43 1wj2 n GLY 461 N 4.72 2.07 3.57 -1.39 0.00 -1.26 -2.36 105.19 110.53 1wj2 n GLY 461 Ca -0.18 -1.99 -0.25 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.43 2.02 0.27 1.61 1.02 -1.26 -4.94 119.74 116.03 1wj2 s LYS 462 Ca 0.00 -1.46 -0.26 0.00 0.02 0.00 0.00 55.97 54.27 1wj2 s LYS 462 Cb 0.00 -2.05 -0.09 0.00 -0.52 0.00 0.00 37.83 35.17 1wj2 s LYS 462 CO 0.00 0.38 0.89 -1.01 -0.92 0.00 0.00 175.35 174.69 1wj2 s HIS 463 N -2.13 3.78 -0.27 3.18 3.76 -1.26 -4.71 115.29 117.65 1wj2 s HIS 463 Ca 0.28 1.74 0.09 0.00 -0.15 0.00 0.00 55.06 57.02 1wj2 s HIS 463 Cb -0.07 -2.87 0.46 0.00 1.11 0.00 0.00 32.58 31.21 1wj2 s HIS 463 CO 0.17 0.32 1.34 -1.71 -0.85 0.00 0.00 174.74 174.01 1wj2 n ASN 464 N 0.92 2.49 -3.69 1.40 5.15 -1.26 -5.00 115.26 115.27 1wj2 n ASN 464 Ca -0.01 -3.84 -0.14 0.00 -0.60 0.00 0.00 54.58 49.99 1wj2 n ASN 464 Cb 0.49 -0.57 -0.09 0.00 -0.53 0.00 0.00 39.78 39.09 1wj2 n ASN 464 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1wj2 s HIS 465 N -3.30 -0.48 0.87 1.20 -3.43 -1.26 -4.81 115.29 104.08 1wj2 s HIS 465 Ca 0.43 1.06 -0.10 0.00 -0.80 0.00 0.00 55.06 55.65 1wj2 s HIS 465 Cb 0.39 0.20 0.12 0.00 -1.43 0.00 0.00 32.58 31.86 1wj2 s HIS 465 CO -0.03 -0.34 1.14 -0.51 -2.00 0.00 0.00 174.74 173.00 1wj2 s ASP 466 N -0.30 3.35 -0.26 7.38 1.11 -1.26 -4.89 116.67 121.79 1wj2 s ASP 466 Ca -0.05 2.13 -0.29 0.00 0.18 0.00 0.00 52.55 54.52 1wj2 s ASP 466 Cb -0.03 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 1wj2 s ASP 466 CO 0.03 -2.82 1.77 -0.76 1.18 0.00 0.00 175.17 174.56 1wj2 s LEU 467 N -6.35 3.69 0.00 1.23 1.43 -1.26 -4.99 118.68 112.43 1wj2 s LEU 467 Ca 0.66 1.53 -0.14 0.00 -1.03 0.00 0.00 54.13 55.15 1wj2 s LEU 467 Cb -0.22 -3.53 0.22 0.00 0.03 0.00 0.00 46.19 42.69 1wj2 s LEU 467 CO 0.57 -1.52 0.49 -2.65 0.23 0.00 0.00 176.35 173.46 1wj2 n PRO 468 N 8.12 -2.63 0.00 1.29 -0.02 -1.26 -5.12 135.00 135.39 1wj2 n PRO 468 Ca 0.22 -0.83 0.00 0.00 -2.02 0.00 0.00 63.50 60.87 1wj2 n PRO 468 Cb 0.46 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 1wj2 n PRO 468 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48