#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 3.24 -0.29 5.55 -0.21 -1.26 -5.08 119.66 121.61 1wj2 s GLN 400 Ca 0.00 -0.70 -0.14 0.00 0.02 0.00 0.00 55.36 54.54 1wj2 s GLN 400 Cb 0.00 -2.90 0.10 0.00 1.00 0.00 0.00 33.01 31.22 1wj2 s GLN 400 CO 0.00 -0.22 0.69 -0.08 -2.12 0.00 0.00 175.29 173.56 1wj2 s THR 401 N 1.42 -0.42 -0.17 -0.19 -1.32 -1.26 -5.15 115.64 108.55 1wj2 s THR 401 Ca 0.05 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.51 1wj2 s THR 401 Cb -0.14 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.84 1wj2 s THR 401 CO -0.06 0.00 -0.10 0.42 -2.21 0.00 0.00 174.62 172.67 1wj2 s THR 402 N 2.17 3.12 0.30 5.08 -4.23 -1.26 -5.11 115.64 115.70 1wj2 s THR 402 Ca -0.08 -0.61 -0.23 0.00 -1.18 0.00 0.00 61.69 59.59 1wj2 s THR 402 Cb -0.08 -2.36 -0.09 0.00 1.34 0.00 0.00 72.50 71.31 1wj2 s THR 402 CO -0.19 0.48 0.86 -0.94 -0.54 0.00 0.00 174.62 174.29 1wj2 s SER 403 N 0.92 7.18 -0.35 3.99 1.04 -1.26 -5.03 113.70 120.19 1wj2 s SER 403 Ca -0.02 1.66 -0.21 0.00 0.48 0.00 0.00 55.95 57.85 1wj2 s SER 403 Cb -0.15 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1wj2 s SER 403 CO -0.00 -0.07 0.68 -1.61 0.98 0.00 0.00 173.24 173.22 1wj2 s GLU 404 N -2.17 3.74 -1.26 4.02 2.02 -1.26 -4.98 118.70 118.80 1wj2 s GLU 404 Ca 0.49 0.17 -0.19 0.00 0.02 0.00 0.00 54.97 55.46 1wj2 s GLU 404 Cb -0.17 -3.80 0.06 0.00 0.10 0.00 0.00 34.13 30.33 1wj2 s GLU 404 CO 0.22 -0.74 1.72 0.14 0.02 0.00 0.00 175.26 176.61 1wj2 s VAL 405 N 2.81 4.06 -0.23 2.63 -7.23 -1.26 -4.94 120.40 116.23 1wj2 s VAL 405 Ca 0.27 -1.72 -0.08 0.00 -1.81 0.00 0.00 61.98 58.64 1wj2 s VAL 405 Cb -0.14 -5.14 -0.04 0.00 0.56 0.00 0.00 36.38 31.62 1wj2 s VAL 405 CO 0.15 -1.95 0.08 -1.81 -0.31 0.00 0.00 175.10 171.26 1wj2 s ASP 406 N 4.48 5.41 -1.04 4.85 1.01 -1.26 -5.01 116.67 125.11 1wj2 s ASP 406 Ca 0.54 -0.09 -0.23 0.00 0.71 0.00 0.00 52.55 53.48 1wj2 s ASP 406 Cb 0.03 -1.96 -0.13 0.00 1.01 0.00 0.00 42.92 41.87 1wj2 s ASP 406 CO 0.06 0.03 1.94 0.18 0.21 0.00 0.00 175.17 177.59 1wj2 n LEU 407 N 4.48 2.99 -5.03 1.23 4.77 -1.26 -4.89 117.00 119.29 1wj2 n LEU 407 Ca -0.16 -2.97 -0.20 0.00 -0.03 0.00 0.00 56.01 52.65 1wj2 n LEU 407 Cb 0.52 -1.56 0.07 0.00 -2.33 0.00 0.00 43.42 40.11 1wj2 n LEU 407 CO 0.33 -1.75 0.36 -0.76 -1.33 0.00 0.00 177.39 174.24 1wj2 s LEU 408 N 9.31 3.08 -0.08 2.23 1.43 -1.26 -5.03 118.68 128.35 1wj2 s LEU 408 Ca 0.68 -0.83 -0.25 0.00 -1.03 0.00 0.00 54.13 52.70 1wj2 s LEU 408 Cb 0.03 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 1wj2 s LEU 408 CO 0.15 -1.39 0.77 -0.62 0.23 0.00 0.00 176.35 175.49 1wj2 s ASP 409 N -4.68 7.03 -0.14 2.29 -1.08 -1.26 -4.88 116.67 113.95 1wj2 s ASP 409 Ca 0.62 1.24 0.05 0.00 -0.52 0.00 0.00 52.55 53.95 1wj2 s ASP 409 Cb -0.06 -2.44 0.16 0.00 -1.46 0.00 0.00 42.92 39.12 1wj2 s ASP 409 CO 0.39 -0.21 1.04 -0.67 0.52 0.00 0.00 175.17 176.25 1wj2 n ASP 410 N 4.17 -0.95 0.00 -0.34 -0.08 -1.26 -5.06 116.55 113.03 1wj2 n ASP 410 Ca 0.01 -1.73 0.00 0.00 -1.51 0.00 0.00 54.79 51.56 1wj2 n ASP 410 Cb 0.51 0.38 0.00 0.00 2.34 0.00 0.00 41.12 44.35 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 -0.62 1.56 3.91 0.27 0.00 -1.26 -5.10 105.19 103.95 1wj2 n GLY 411 Ca -0.17 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 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 1.93 -0.51 1.61 2.02 -1.26 -4.28 117.35 116.86 1wj2 s TYR 412 Ca 0.00 -0.72 -0.04 0.00 -0.37 0.00 0.00 57.07 55.94 1wj2 s TYR 412 Cb 0.00 -2.03 0.13 0.00 -0.40 0.00 0.00 41.96 39.67 1wj2 s TYR 412 CO 0.00 -0.45 0.33 0.50 -1.57 0.00 0.00 175.55 174.36 1wj2 s ARG 413 N -4.28 2.31 0.33 -0.62 3.00 -1.26 -4.88 118.95 113.56 1wj2 s ARG 413 Ca 0.42 -2.12 0.05 0.00 -1.00 0.00 0.00 55.73 53.08 1wj2 s ARG 413 Cb -0.03 -3.70 -0.01 0.00 0.00 0.00 0.00 34.95 31.21 1wj2 s ARG 413 CO 0.26 -1.13 0.48 -1.58 0.00 0.00 0.00 175.30 173.32 1wj2 s TRP 414 N 0.65 3.19 0.03 5.12 0.52 -1.26 -1.49 118.94 125.70 1wj2 s TRP 414 Ca 0.12 -0.11 -0.22 0.00 0.02 0.00 0.00 56.10 55.90 1wj2 s TRP 414 Cb -0.22 -1.96 0.05 0.00 -1.15 0.00 0.00 33.47 30.19 1wj2 s TRP 414 CO -0.04 0.02 0.50 0.50 0.02 0.00 0.00 176.95 177.95 1wj2 s ARG 415 N -4.20 0.99 -0.17 4.98 3.52 -0.42 -4.84 118.95 118.81 1wj2 s ARG 415 Ca 0.43 -0.21 -0.14 0.00 -0.13 0.00 0.00 55.73 55.68 1wj2 s ARG 415 Cb -0.09 0.45 -0.05 0.00 -1.56 0.00 0.00 34.95 33.70 1wj2 s ARG 415 CO 0.32 -0.35 0.31 0.21 -0.81 0.00 0.00 175.30 174.98 1wj2 s LYS 416 N -2.26 4.23 -0.09 5.12 2.20 -1.26 -1.17 119.74 126.52 1wj2 s LYS 416 Ca -0.06 0.10 0.05 0.00 -0.36 0.00 0.00 55.97 55.69 1wj2 s LYS 416 Cb -0.01 -3.45 -0.09 0.00 -1.51 0.00 0.00 37.83 32.77 1wj2 s LYS 416 CO -0.00 0.17 -0.01 2.48 -0.36 0.00 0.00 175.35 177.63 1wj2 n TYR 417 N 3.79 0.00 -3.63 4.03 4.11 -1.21 -5.04 117.16 119.21 1wj2 n TYR 417 Ca -0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.66 1wj2 n TYR 417 Cb 0.52 -0.40 -0.07 0.00 -0.00 0.00 0.00 39.34 39.39 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 -4.28 -0.46 -0.12 -7.48 0.00 -1.26 -5.13 107.32 88.59 1wj2 s GLY 418 Ca -0.07 2.16 -0.00 0.00 0.00 0.00 0.00 44.72 46.81 1wj2 s GLY 418 CO 0.30 1.77 -0.08 -0.86 0.00 0.00 0.00 173.10 174.24 1wj2 s GLN 419 N 0.36 1.58 0.76 2.90 -2.07 -1.26 -3.23 119.66 118.70 1wj2 s GLN 419 Ca 0.01 -0.28 -0.06 0.00 -1.82 0.00 0.00 55.36 53.21 1wj2 s GLN 419 Cb -0.05 -1.64 0.12 0.00 -1.09 0.00 0.00 33.01 30.35 1wj2 s GLN 419 CO -0.01 -0.27 1.06 0.15 -1.32 0.00 0.00 175.29 174.90 1wj2 s LYS 420 N 1.69 1.64 -0.01 9.60 1.02 -1.22 -4.88 119.74 127.59 1wj2 s LYS 420 Ca 0.05 -0.70 0.02 0.00 0.02 0.00 0.00 55.97 55.35 1wj2 s LYS 420 Cb -0.13 -2.19 -0.00 0.00 -0.52 0.00 0.00 37.83 34.99 1wj2 s LYS 420 CO -0.08 -1.55 -0.06 0.54 -0.92 0.00 0.00 175.35 173.27 1wj2 s VAL 421 N -3.31 0.47 -0.20 3.17 0.11 -1.26 -0.60 120.40 118.79 1wj2 s VAL 421 Ca 0.66 -0.25 -0.01 0.00 -2.93 0.00 0.00 61.98 59.45 1wj2 s VAL 421 Cb -0.07 -0.40 0.01 0.00 -1.53 0.00 0.00 36.38 34.39 1wj2 s VAL 421 CO 0.46 0.14 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.55 1wj2 s VAL 422 N -0.10 2.67 -0.11 2.04 1.01 -1.26 -4.94 120.40 119.70 1wj2 s VAL 422 Ca 0.02 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 1wj2 s VAL 422 Cb -0.03 -2.17 -0.06 0.00 0.00 0.00 0.00 36.38 34.12 1wj2 s VAL 422 CO -0.00 0.49 2.05 -0.75 0.00 0.00 0.00 175.10 176.89 1wj2 s LYS 423 N 1.33 3.61 0.00 2.72 2.20 -1.26 -1.62 119.74 126.73 1wj2 s LYS 423 Ca 0.05 2.23 0.00 0.00 -0.36 0.00 0.00 55.97 57.89 1wj2 s LYS 423 Cb -0.14 -4.25 0.00 0.00 -1.51 0.00 0.00 37.83 31.93 1wj2 s LYS 423 CO -0.08 -1.55 0.00 0.41 -0.36 0.00 0.00 175.35 173.77 1wj2 n GLY 424 N 5.15 1.50 3.74 5.54 0.00 -1.26 -5.08 105.19 114.78 1wj2 n GLY 424 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.69 6.96 0.31 1.61 -0.87 -0.64 -4.97 114.94 116.65 1wj2 s ASN 425 Ca 0.00 1.14 0.16 0.00 -1.57 0.00 0.00 52.86 52.59 1wj2 s ASN 425 Cb 0.00 -2.37 0.33 0.00 -0.02 0.00 0.00 41.25 39.19 1wj2 s ASN 425 CO 0.00 0.02 1.57 1.55 -2.57 0.00 0.00 177.10 177.67 1wj2 h PRO 426 N 6.07 0.00 -4.31 -0.60 0.13 -1.97 -3.41 132.00 127.92 1wj2 h PRO 426 Ca -0.43 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.97 1wj2 h PRO 426 Cb 1.20 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.03 1wj2 h PRO 426 CO 0.72 0.50 -0.40 0.71 -0.23 0.00 0.00 178.00 179.30 1wj2 s TYR 427 N -3.26 3.44 1.08 1.56 2.02 -1.26 -5.09 117.35 115.84 1wj2 s TYR 427 Ca 0.02 -1.90 -0.18 0.00 -0.37 0.00 0.00 57.07 54.63 1wj2 s TYR 427 Cb 0.10 -3.48 0.11 0.00 -0.40 0.00 0.00 41.96 38.28 1wj2 s TYR 427 CO 0.73 -0.99 -0.03 -2.30 -1.57 0.00 0.00 175.55 171.39 1wj2 n PRO 428 N 4.89 -1.77 -2.81 -1.71 -0.02 -1.26 -4.76 135.00 127.56 1wj2 n PRO 428 Ca -0.08 -0.51 -0.35 0.00 -2.02 0.00 0.00 63.50 60.54 1wj2 n PRO 428 Cb 0.41 -1.56 -0.07 0.00 -0.02 0.00 0.00 33.50 32.27 1wj2 n PRO 428 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1wj2 s ARG 429 N -3.34 4.41 -0.10 -0.52 1.81 0.23 -4.79 118.95 116.65 1wj2 s ARG 429 Ca 0.47 1.22 -0.00 0.00 -1.72 0.00 0.00 55.73 55.70 1wj2 s ARG 429 Cb -0.07 -2.52 0.02 0.00 -0.45 0.00 0.00 34.95 31.93 1wj2 s ARG 429 CO 0.54 0.14 -0.06 -1.12 -0.68 0.00 0.00 175.30 174.13 1wj2 s SER 430 N -1.87 2.02 -0.24 0.23 0.01 -1.16 -3.43 113.70 109.25 1wj2 s SER 430 Ca 0.55 -0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.57 1wj2 s SER 430 Cb -0.14 -0.76 0.06 0.00 0.21 0.00 0.00 66.02 65.39 1wj2 s SER 430 CO 0.19 -0.12 -0.08 -0.31 0.41 0.00 0.00 173.24 173.33 1wj2 s TYR 431 N 1.67 2.73 0.33 2.43 2.02 -1.20 -1.08 117.35 124.26 1wj2 s TYR 431 Ca 0.03 -1.96 0.04 0.00 -0.37 0.00 0.00 57.07 54.81 1wj2 s TYR 431 Cb -0.13 -1.72 0.04 0.00 -0.40 0.00 0.00 41.96 39.75 1wj2 s TYR 431 CO -0.07 -0.81 0.29 0.66 -1.57 0.00 0.00 175.55 174.05 1wj2 n TYR 432 N 4.58 -1.31 -3.64 2.71 4.02 -0.99 -3.32 117.16 119.21 1wj2 n TYR 432 Ca -0.13 -1.36 -0.05 0.00 -0.01 0.00 0.00 57.90 56.35 1wj2 n TYR 432 Cb 0.43 -0.28 -0.07 0.00 -0.02 0.00 0.00 39.34 39.41 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 -3.39 0.39 -0.89 -0.72 -2.85 -0.31 -2.61 119.74 109.36 1wj2 s LYS 433 Ca 0.22 0.55 -0.25 0.00 -1.00 0.00 0.00 55.97 55.50 1wj2 s LYS 433 Cb -0.02 0.14 -0.01 0.00 -2.06 0.00 0.00 37.83 35.88 1wj2 s LYS 433 CO 0.14 -0.06 1.72 0.00 0.10 0.00 0.00 175.35 177.25 1wj2 n THR 435 N 7.34 4.68 -3.79 0.00 5.66 -0.56 -2.75 114.28 124.87 1wj2 n THR 435 Ca 0.32 -4.96 -0.20 0.00 -3.05 0.00 0.00 64.05 56.15 1wj2 n THR 435 Cb 0.49 -2.28 -0.01 0.00 -1.55 0.00 0.00 70.33 66.98 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 -0.67 4.81 -0.87 1.09 2.01 -0.97 -4.95 115.64 116.09 1wj2 s THR 436 Ca 0.37 -1.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.17 1wj2 s THR 436 Cb 0.07 -3.69 -0.22 0.00 0.01 0.00 0.00 72.50 68.67 1wj2 s THR 436 CO 0.04 -0.27 2.32 -2.65 -0.69 0.00 0.00 174.62 173.37 1wj2 n PRO 437 N -1.49 0.34 0.00 4.92 -0.02 -1.26 -0.23 135.00 137.26 1wj2 n PRO 437 Ca -0.06 -0.52 0.00 0.00 -2.02 0.00 0.00 63.50 60.90 1wj2 n PRO 437 Cb 0.57 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 2.99 3.75 -1.23 0.00 -1.26 -4.94 105.19 110.80 1wj2 n GLY 438 Ca 0.55 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.18 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 2.61 3.78 3.93 0.00 0.00 -1.24 -2.30 105.19 111.97 1wj2 n GLY 440 Ca -0.05 -1.87 -0.25 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.43 5.09 0.05 1.61 1.01 -1.11 -4.93 120.40 119.69 1wj2 s VAL 441 Ca 0.40 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1wj2 s VAL 441 Cb 0.29 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1wj2 s VAL 441 CO -0.09 -0.50 -0.10 -0.13 0.00 0.00 0.00 175.10 174.28 1wj2 s ARG 442 N -4.11 0.63 -0.11 2.72 1.81 -1.14 -0.11 118.95 118.63 1wj2 s ARG 442 Ca 0.41 -0.81 -0.06 0.00 -1.72 0.00 0.00 55.73 53.54 1wj2 s ARG 442 Cb -0.10 -0.48 0.04 0.00 -0.45 0.00 0.00 34.95 33.97 1wj2 s ARG 442 CO 0.35 0.10 0.26 -1.59 -0.68 0.00 0.00 175.30 173.73 1wj2 s LYS 443 N -1.60 0.23 -0.28 3.54 -2.85 -1.07 -1.59 119.74 116.12 1wj2 s LYS 443 Ca -0.07 0.52 -0.13 0.00 -1.00 0.00 0.00 55.97 55.29 1wj2 s LYS 443 Cb -0.10 -0.07 -0.04 0.00 -2.06 0.00 0.00 37.83 35.56 1wj2 s LYS 443 CO 0.01 -0.14 0.27 -1.01 0.10 0.00 0.00 175.35 174.58 1wj2 s HIS 444 N 1.09 3.23 -0.62 1.78 3.76 -0.20 -2.36 115.29 121.98 1wj2 s HIS 444 Ca -0.08 0.25 -0.09 0.00 -0.15 0.00 0.00 55.06 54.99 1wj2 s HIS 444 Cb -0.09 -2.47 0.16 0.00 1.11 0.00 0.00 32.58 31.29 1wj2 s HIS 444 CO -0.07 -0.19 0.50 0.08 -0.85 0.00 0.00 174.74 174.20 1wj2 s VAL 445 N 1.90 4.55 -0.10 -0.90 1.01 -0.24 -1.14 120.40 125.48 1wj2 s VAL 445 Ca 0.11 -2.27 -0.03 0.00 0.00 0.00 0.00 61.98 59.79 1wj2 s VAL 445 Cb -0.16 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1wj2 s VAL 445 CO 0.11 -0.88 0.03 -1.61 0.00 0.00 0.00 175.10 172.74 1wj2 s GLU 446 N 0.67 3.11 -0.24 2.72 8.01 -0.84 -3.01 118.70 129.13 1wj2 s GLU 446 Ca 0.12 -0.35 -0.04 0.00 0.01 0.00 0.00 54.97 54.71 1wj2 s GLU 446 Cb -0.20 -2.89 0.00 0.00 -4.31 0.00 0.00 34.13 26.73 1wj2 s GLU 446 CO -0.03 0.70 -0.03 1.03 0.01 0.00 0.00 175.26 176.93 1wj2 s ARG 447 N -0.85 3.19 -0.17 1.61 0.52 -1.26 -0.87 118.95 121.12 1wj2 s ARG 447 Ca 0.13 -0.75 -0.29 0.00 -0.52 0.00 0.00 55.73 54.30 1wj2 s ARG 447 Cb -0.12 -3.04 -0.03 0.00 0.52 0.00 0.00 34.95 32.28 1wj2 s ARG 447 CO 0.03 -0.28 1.59 0.00 0.02 0.00 0.00 175.30 176.65 1wj2 s ALA 448 N 1.44 3.41 -0.14 2.13 0.00 0.11 -4.89 121.76 123.82 1wj2 s ALA 448 Ca 0.04 0.60 -0.18 0.00 0.00 0.00 0.00 51.96 52.42 1wj2 s ALA 448 Cb -0.15 -3.80 -0.25 0.00 0.00 0.00 0.00 23.12 18.92 1wj2 s ALA 448 CO -0.03 -1.71 0.48 0.00 0.00 0.00 0.00 175.76 174.49 1wj2 h ALA 449 N 10.13 0.20 -0.78 0.00 0.00 -1.96 -3.10 119.26 123.75 1wj2 h ALA 449 Ca -0.34 -1.07 0.07 0.00 0.00 0.00 0.00 54.91 53.56 1wj2 h ALA 449 Cb 1.15 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 19.40 1wj2 h ALA 449 CO 0.98 0.73 0.51 1.15 0.00 0.00 0.00 179.25 182.63 1wj2 h THR 450 N -0.54 1.03 -4.30 0.00 2.02 -1.97 -3.43 112.91 105.72 1wj2 h THR 450 Ca -0.29 -0.29 -0.50 0.00 0.77 0.00 0.00 66.41 66.10 1wj2 h THR 450 Cb 1.57 0.12 0.06 0.00 -1.74 0.00 0.00 68.15 68.16 1wj2 h THR 450 CO -0.02 0.15 0.39 -1.81 0.37 0.00 0.00 175.52 174.61 1wj2 s ASP 451 N -6.14 6.05 -0.56 4.18 1.11 -1.26 -4.90 116.67 115.16 1wj2 s ASP 451 Ca -0.10 1.55 -0.17 0.00 0.18 0.00 0.00 52.55 54.01 1wj2 s ASP 451 Cb 0.20 -2.49 -0.15 0.00 1.07 0.00 0.00 42.92 41.54 1wj2 s ASP 451 CO 0.78 -0.99 1.78 -0.81 1.18 0.00 0.00 175.17 177.12 1wj2 n PRO 452 N -2.49 1.16 -2.30 8.23 -0.04 -1.26 -4.28 135.00 134.01 1wj2 n PRO 452 Ca 0.07 -1.41 -0.02 0.00 -0.04 0.00 0.00 63.50 62.10 1wj2 n PRO 452 Cb 0.54 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 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 6.24 -1.92 -4.42 0.54 4.81 -1.26 -5.07 118.16 117.07 1wj2 n LYS 453 Ca 0.41 1.78 -0.23 0.00 -0.87 0.00 0.00 58.31 59.39 1wj2 n LYS 453 Cb 0.29 -3.93 -0.13 0.00 0.02 0.00 0.00 35.03 31.27 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 -1.45 1.64 -0.29 3.14 0.00 -1.17 -5.02 121.76 118.62 1wj2 s ALA 454 Ca 0.07 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1wj2 s ALA 454 Cb -0.02 -0.26 0.09 0.00 0.00 0.00 0.00 23.12 22.93 1wj2 s ALA 454 CO 0.49 0.34 0.05 0.08 0.00 0.00 0.00 175.76 176.72 1wj2 s VAL 455 N -0.99 1.21 -0.37 0.00 1.01 -1.26 0.08 120.40 120.08 1wj2 s VAL 455 Ca 0.05 -1.43 -0.14 0.00 0.00 0.00 0.00 61.98 60.47 1wj2 s VAL 455 Cb -0.09 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.49 1wj2 s VAL 455 CO 0.03 -0.49 0.28 0.54 0.00 0.00 0.00 175.10 175.46 1wj2 s VAL 456 N 1.48 5.26 0.04 2.92 0.11 -0.05 -4.99 120.40 125.17 1wj2 s VAL 456 Ca 0.05 -0.40 0.02 0.00 -2.93 0.00 0.00 61.98 58.73 1wj2 s VAL 456 Cb -0.18 -3.83 -0.04 0.00 -1.53 0.00 0.00 36.38 30.80 1wj2 s VAL 456 CO -0.16 -0.16 0.04 -0.89 -3.33 0.00 0.00 175.10 170.60 1wj2 s THR 457 N 1.74 4.38 -0.06 5.04 2.01 -1.26 -1.98 115.64 125.51 1wj2 s THR 457 Ca 0.06 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1wj2 s THR 457 Cb -0.18 -3.04 0.02 0.00 0.01 0.00 0.00 72.50 69.30 1wj2 s THR 457 CO 0.11 0.24 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.28 1wj2 s THR 458 N -1.25 0.98 -0.18 -0.82 2.01 -0.29 -4.98 115.64 111.10 1wj2 s THR 458 Ca 0.25 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.84 1wj2 s THR 458 Cb -0.12 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.45 1wj2 s THR 458 CO 0.17 0.32 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.07 1wj2 s TYR 459 N 0.80 2.98 -0.21 4.92 1.51 -1.26 -1.03 117.35 125.06 1wj2 s TYR 459 Ca -0.12 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.42 1wj2 s TYR 459 Cb -0.15 -2.01 0.05 0.00 -0.11 0.00 0.00 41.96 39.74 1wj2 s TYR 459 CO 0.02 -0.23 -0.09 -1.21 -1.11 0.00 0.00 175.55 172.93 1wj2 s GLU 460 N 0.78 1.94 0.00 -0.62 8.01 -0.62 -5.03 118.70 123.16 1wj2 s GLU 460 Ca -0.01 -0.89 0.00 0.00 0.01 0.00 0.00 54.97 54.07 1wj2 s GLU 460 Cb -0.15 -2.47 0.00 0.00 -4.31 0.00 0.00 34.13 27.21 1wj2 s GLU 460 CO 0.02 -0.47 0.00 0.41 0.01 0.00 0.00 175.26 175.23 1wj2 n GLY 461 N 4.67 1.16 3.49 -1.39 0.00 -1.26 -2.91 105.19 108.95 1wj2 n GLY 461 Ca -0.14 -2.13 -0.24 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.48 1.69 -0.25 1.61 1.02 -1.26 -4.96 119.74 116.11 1wj2 s LYS 462 Ca 0.00 -1.86 -0.17 0.00 0.02 0.00 0.00 55.97 53.96 1wj2 s LYS 462 Cb 0.00 -1.46 -0.03 0.00 -0.52 0.00 0.00 37.83 35.82 1wj2 s LYS 462 CO 0.00 0.11 0.48 -1.01 -0.92 0.00 0.00 175.35 174.00 1wj2 s HIS 463 N -2.79 3.29 -0.05 3.18 3.76 -1.26 -4.70 115.29 116.72 1wj2 s HIS 463 Ca 0.31 0.62 0.12 0.00 -0.15 0.00 0.00 55.06 55.96 1wj2 s HIS 463 Cb 0.03 -2.66 -0.05 0.00 1.11 0.00 0.00 32.58 31.00 1wj2 s HIS 463 CO 0.14 -0.21 1.34 -0.91 -0.85 0.00 0.00 174.74 174.25 1wj2 h ASN 464 N 7.87 0.00 -3.12 1.40 4.21 -1.97 -3.46 115.58 120.51 1wj2 h ASN 464 Ca -0.31 0.00 -0.47 0.00 1.21 0.00 0.00 56.30 56.73 1wj2 h ASN 464 Cb 1.15 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 38.39 1wj2 h ASN 464 CO 0.71 0.70 0.01 -1.38 -1.29 0.00 0.00 177.43 176.18 1wj2 s HIS 465 N -2.86 3.28 0.39 1.19 -3.43 -1.26 -5.05 115.29 107.55 1wj2 s HIS 465 Ca 0.02 0.43 -0.04 0.00 -0.80 0.00 0.00 55.06 54.67 1wj2 s HIS 465 Cb 0.09 -2.43 0.08 0.00 -1.43 0.00 0.00 32.58 28.89 1wj2 s HIS 465 CO 0.78 -0.48 0.53 -0.25 -2.00 0.00 0.00 174.74 173.32 1wj2 n ASP 466 N -2.24 0.33 -4.61 7.38 8.00 -1.26 -5.01 116.55 119.12 1wj2 n ASP 466 Ca 0.02 -1.37 -0.43 0.00 0.71 0.00 0.00 54.79 53.73 1wj2 n ASP 466 Cb 0.57 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 41.27 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 3.86 0.00 0.64 1.43 -1.26 -5.03 118.68 118.32 1wj2 s LEU 467 Ca 0.32 0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 53.95 1wj2 s LEU 467 Cb -0.01 -3.44 0.22 0.00 0.03 0.00 0.00 46.19 42.98 1wj2 s LEU 467 CO 0.22 -1.00 0.49 -2.65 0.23 0.00 0.00 176.35 173.63 1wj2 n PRO 468 N 7.17 -2.33 0.00 1.29 -0.02 -1.26 -5.17 135.00 134.67 1wj2 n PRO 468 Ca 0.10 -0.82 0.15 0.00 -2.02 0.00 0.00 63.50 60.91 1wj2 n PRO 468 Cb 0.48 -1.34 0.75 0.00 -0.02 0.00 0.00 33.50 33.38 1wj2 n PRO 468 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48