#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 3.75 -0.60 5.55 -0.21 -1.26 -5.05 119.66 121.85 1wj2 s GLN 400 Ca 0.00 0.27 -0.14 0.00 0.02 0.00 0.00 55.36 55.51 1wj2 s GLN 400 Cb 0.00 -2.56 0.15 0.00 1.00 0.00 0.00 33.01 31.60 1wj2 s GLN 400 CO 0.00 0.17 0.53 0.99 -2.12 0.00 0.00 175.29 174.86 1wj2 s THR 401 N -2.08 5.05 -0.20 -0.19 2.01 -1.26 -5.04 115.64 113.93 1wj2 s THR 401 Ca 0.48 -1.84 -0.05 0.00 0.31 0.00 0.00 61.69 60.59 1wj2 s THR 401 Cb -0.11 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.16 1wj2 s THR 401 CO 0.27 -0.89 -0.01 0.28 -0.69 0.00 0.00 174.62 173.58 1wj2 s THR 402 N 1.15 3.88 0.12 -0.82 -1.32 -1.26 -4.99 115.64 112.41 1wj2 s THR 402 Ca 0.08 -0.34 -0.09 0.00 -1.21 0.00 0.00 61.69 60.13 1wj2 s THR 402 Cb -0.24 -2.75 -0.15 0.00 -1.51 0.00 0.00 72.50 67.84 1wj2 s THR 402 CO -0.01 0.43 1.33 0.28 -2.21 0.00 0.00 174.62 174.44 1wj2 h SER 403 N 7.51 0.79 -3.76 8.08 0.02 -2.08 -3.42 113.55 120.68 1wj2 h SER 403 Ca -0.36 -0.54 -0.67 0.00 -0.84 0.00 0.00 61.79 59.39 1wj2 h SER 403 Cb 1.18 -0.23 -0.18 0.00 0.14 0.00 0.00 62.40 63.30 1wj2 h SER 403 CO 0.61 1.32 -0.49 -0.70 -1.14 0.00 0.00 176.83 176.43 1wj2 s GLU 404 N -3.63 3.61 -0.38 3.45 2.12 -1.26 -5.06 118.70 117.56 1wj2 s GLU 404 Ca -0.09 -0.56 -0.16 0.00 0.36 0.00 0.00 54.97 54.53 1wj2 s GLU 404 Cb 0.09 -3.76 0.00 0.00 0.26 0.00 0.00 34.13 30.72 1wj2 s GLU 404 CO 0.89 -0.37 0.37 0.54 -0.54 0.00 0.00 175.26 176.14 1wj2 s VAL 405 N 1.73 5.17 0.00 3.70 0.11 -1.26 -4.96 120.40 124.88 1wj2 s VAL 405 Ca 0.06 -0.22 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 1wj2 s VAL 405 Cb -0.17 -3.90 0.00 0.00 -1.53 0.00 0.00 36.38 30.78 1wj2 s VAL 405 CO 0.11 -0.23 0.00 0.47 -3.33 0.00 0.00 175.10 172.11 1wj2 n ASP 406 N 5.40 0.00 -4.53 3.54 8.00 -1.26 -4.85 116.55 122.84 1wj2 n ASP 406 Ca -0.09 0.18 -0.43 0.00 0.71 0.00 0.00 54.79 55.16 1wj2 n ASP 406 Cb 0.48 -0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 41.12 1wj2 n ASP 406 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1wj2 s LEU 407 N -4.09 4.32 0.00 0.64 0.20 -1.26 -5.05 118.68 113.44 1wj2 s LEU 407 Ca 0.00 -0.18 -0.02 0.00 0.69 0.00 0.00 54.13 54.62 1wj2 s LEU 407 Cb 0.00 -2.90 0.13 0.00 -0.43 0.00 0.00 46.19 42.99 1wj2 s LEU 407 CO 0.00 -0.89 0.89 0.00 -0.29 0.00 0.00 176.35 176.06 1wj2 n LEU 408 N 6.61 0.00 -4.65 -0.68 -0.00 -1.26 -5.06 117.00 111.96 1wj2 n LEU 408 Ca 0.01 -1.70 -0.39 0.00 -0.00 0.00 0.00 56.01 53.93 1wj2 n LEU 408 Cb 0.48 -0.60 -0.07 0.00 -0.00 0.00 0.00 43.42 43.23 1wj2 n LEU 408 CO 0.58 -0.98 0.21 -0.62 -0.00 0.00 0.00 177.39 176.58 1wj2 s ASP 409 N -4.55 6.50 0.00 1.45 -1.08 -1.26 -4.88 116.67 112.85 1wj2 s ASP 409 Ca 0.57 0.60 0.00 0.00 -0.52 0.00 0.00 52.55 53.21 1wj2 s ASP 409 Cb -0.03 -2.28 0.00 0.00 -1.46 0.00 0.00 42.92 39.15 1wj2 s ASP 409 CO 0.38 -0.18 0.00 0.47 0.52 0.00 0.00 175.17 176.36 1wj2 n ASP 410 N 4.89 0.81 0.00 -0.34 9.92 -1.26 -5.08 116.55 125.49 1wj2 n ASP 410 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 1wj2 n ASP 410 Cb 0.50 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 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 2.35 -0.57 3.86 0.44 0.00 -1.26 -5.14 105.19 104.87 1wj2 n GLY 411 Ca 0.00 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 3.19 -0.54 1.61 2.02 -1.26 -4.09 117.35 118.28 1wj2 s TYR 412 Ca 0.00 -0.08 -0.20 0.00 -0.37 0.00 0.00 57.07 56.42 1wj2 s TYR 412 Cb 0.00 -1.44 0.06 0.00 -0.40 0.00 0.00 41.96 40.18 1wj2 s TYR 412 CO 0.00 0.50 0.71 1.03 -1.57 0.00 0.00 175.55 176.22 1wj2 s ARG 413 N -3.83 3.14 0.21 -0.62 1.81 -1.26 -5.02 118.95 113.38 1wj2 s ARG 413 Ca 0.33 -0.86 0.05 0.00 -1.72 0.00 0.00 55.73 53.54 1wj2 s ARG 413 Cb -0.08 -4.13 -0.03 0.00 -0.45 0.00 0.00 34.95 30.26 1wj2 s ARG 413 CO 0.26 -1.35 0.23 -1.58 -0.68 0.00 0.00 175.30 172.18 1wj2 s TRP 414 N 2.93 3.24 -0.11 -0.53 0.52 -1.26 -1.66 118.94 122.08 1wj2 s TRP 414 Ca 0.17 -0.04 -0.09 0.00 0.02 0.00 0.00 56.10 56.17 1wj2 s TRP 414 Cb -0.19 -1.50 0.03 0.00 -1.15 0.00 0.00 33.47 30.66 1wj2 s TRP 414 CO 0.12 0.50 0.28 0.50 0.02 0.00 0.00 176.95 178.37 1wj2 s ARG 415 N -3.60 0.31 0.03 4.98 3.52 0.06 -4.85 118.95 119.41 1wj2 s ARG 415 Ca 0.33 0.42 -0.27 0.00 -0.13 0.00 0.00 55.73 56.08 1wj2 s ARG 415 Cb -0.09 0.11 -0.05 0.00 -1.56 0.00 0.00 34.95 33.36 1wj2 s ARG 415 CO 0.26 -0.06 0.84 0.21 -0.81 0.00 0.00 175.30 175.74 1wj2 s LYS 416 N 0.35 4.54 -0.08 5.12 2.20 -1.26 -1.32 119.74 129.30 1wj2 s LYS 416 Ca -0.02 1.19 0.03 0.00 -0.36 0.00 0.00 55.97 56.81 1wj2 s LYS 416 Cb -0.03 -3.40 -0.06 0.00 -1.51 0.00 0.00 37.83 32.83 1wj2 s LYS 416 CO -0.01 0.18 -0.04 2.48 -0.36 0.00 0.00 175.35 177.59 1wj2 n TYR 417 N 3.14 0.00 -3.44 4.03 0.18 -1.16 -5.01 117.16 114.89 1wj2 n TYR 417 Ca 0.00 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.65 1wj2 n TYR 417 Cb 0.50 -0.33 -0.03 0.00 -0.38 0.00 0.00 39.34 39.11 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 -4.45 -0.61 -0.02 -7.48 0.00 -1.25 -5.11 107.32 88.40 1wj2 s GLY 418 Ca -0.08 0.66 -0.07 0.00 0.00 0.00 0.00 44.72 45.23 1wj2 s GLY 418 CO 0.22 0.32 0.15 -0.86 0.00 0.00 0.00 173.10 172.94 1wj2 s GLN 419 N -3.21 0.38 0.22 2.90 -2.07 -1.26 -2.15 119.66 114.47 1wj2 s GLN 419 Ca -0.02 -0.16 0.07 0.00 -1.82 0.00 0.00 55.36 53.44 1wj2 s GLN 419 Cb -0.01 0.16 -0.04 0.00 -1.09 0.00 0.00 33.01 32.04 1wj2 s GLN 419 CO -0.08 -0.08 0.12 0.15 -1.32 0.00 0.00 175.29 174.08 1wj2 s LYS 420 N -0.83 2.73 -0.03 9.60 1.02 -1.15 -4.99 119.74 126.09 1wj2 s LYS 420 Ca -0.09 -1.08 0.06 0.00 0.02 0.00 0.00 55.97 54.87 1wj2 s LYS 420 Cb -0.05 -2.48 -0.01 0.00 -0.52 0.00 0.00 37.83 34.77 1wj2 s LYS 420 CO 0.01 0.42 -0.20 0.54 -0.92 0.00 0.00 175.35 175.21 1wj2 s VAL 421 N -2.02 1.59 -0.04 3.17 0.11 -1.26 -2.20 120.40 119.75 1wj2 s VAL 421 Ca 0.31 -0.84 0.04 0.00 -2.93 0.00 0.00 61.98 58.56 1wj2 s VAL 421 Cb -0.08 -1.34 -0.03 0.00 -1.53 0.00 0.00 36.38 33.40 1wj2 s VAL 421 CO 0.23 0.45 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.62 1wj2 s VAL 422 N -0.28 3.06 -0.83 2.04 1.01 -1.26 -5.01 120.40 119.13 1wj2 s VAL 422 Ca 0.03 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 61.02 1wj2 s VAL 422 Cb -0.10 -2.21 0.06 0.00 0.00 0.00 0.00 36.38 34.14 1wj2 s VAL 422 CO 0.01 0.57 1.24 -0.54 0.00 0.00 0.00 175.10 176.38 1wj2 s LYS 423 N -0.80 3.35 0.00 2.72 3.01 -1.26 -3.59 119.74 123.17 1wj2 s LYS 423 Ca 0.12 -0.84 0.00 0.00 -1.01 0.00 0.00 55.97 54.23 1wj2 s LYS 423 Cb -0.11 -4.64 0.00 0.00 -1.01 0.00 0.00 37.83 32.07 1wj2 s LYS 423 CO 0.01 -2.04 0.00 0.41 0.51 0.00 0.00 175.35 174.24 1wj2 n GLY 424 N 5.83 2.73 3.67 -3.33 0.00 -1.26 -5.10 105.19 107.73 1wj2 n GLY 424 Ca 0.13 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.19 7.05 0.18 1.61 -0.87 -1.24 -4.91 114.94 116.58 1wj2 s ASN 425 Ca 0.00 1.60 0.22 0.00 -1.57 0.00 0.00 52.86 53.11 1wj2 s ASN 425 Cb 0.00 -2.54 0.90 0.00 -0.02 0.00 0.00 41.25 39.58 1wj2 s ASN 425 CO 0.00 -0.66 1.69 -0.81 -2.57 0.00 0.00 177.10 174.74 1wj2 n PRO 426 N 6.06 0.15 -3.72 -0.60 -0.04 -1.26 -4.30 135.00 131.29 1wj2 n PRO 426 Ca 0.12 0.33 -0.36 0.00 -0.04 0.00 0.00 63.50 63.55 1wj2 n PRO 426 Cb 0.46 -1.76 -0.10 0.00 -0.04 0.00 0.00 33.50 32.06 1wj2 n PRO 426 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1wj2 s TYR 427 N -3.20 3.41 0.64 0.54 2.02 -1.26 -5.09 117.35 114.41 1wj2 s TYR 427 Ca 0.06 -2.71 -0.17 0.00 -0.37 0.00 0.00 57.07 53.88 1wj2 s TYR 427 Cb 0.10 -3.20 -0.05 0.00 -0.40 0.00 0.00 41.96 38.41 1wj2 s TYR 427 CO 0.41 -0.84 0.66 -2.30 -1.57 0.00 0.00 175.55 171.91 1wj2 n PRO 428 N 3.51 0.53 -2.89 -1.71 -0.02 -1.26 -4.66 135.00 128.49 1wj2 n PRO 428 Ca 0.08 0.22 -0.30 0.00 -2.02 0.00 0.00 63.50 61.47 1wj2 n PRO 428 Cb 0.38 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 31.93 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 -2.56 3.80 0.06 -0.52 0.52 -0.94 -4.82 118.95 114.50 1wj2 s ARG 429 Ca 0.70 0.48 -0.06 0.00 -0.52 0.00 0.00 55.73 56.33 1wj2 s ARG 429 Cb -0.40 -2.40 -0.01 0.00 0.52 0.00 0.00 34.95 32.66 1wj2 s ARG 429 CO 0.53 -0.01 0.12 -1.12 0.02 0.00 0.00 175.30 174.84 1wj2 s SER 430 N -3.06 0.21 -0.05 0.23 0.01 -1.10 -2.95 113.70 106.98 1wj2 s SER 430 Ca 0.51 -0.66 -0.01 0.00 1.31 0.00 0.00 55.95 57.10 1wj2 s SER 430 Cb -0.10 0.27 0.03 0.00 0.21 0.00 0.00 66.02 66.43 1wj2 s SER 430 CO 0.30 -0.62 0.03 -0.31 0.41 0.00 0.00 173.24 173.04 1wj2 s TYR 431 N -3.38 0.33 0.44 2.43 2.02 -0.92 -1.23 117.35 117.04 1wj2 s TYR 431 Ca 0.01 0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.80 1wj2 s TYR 431 Cb 0.03 -0.59 0.03 0.00 -0.40 0.00 0.00 41.96 41.04 1wj2 s TYR 431 CO -0.08 -0.23 0.26 0.66 -1.57 0.00 0.00 175.55 174.59 1wj2 n TYR 432 N 5.04 -0.39 -3.64 2.71 4.01 -0.62 -3.01 117.16 121.24 1wj2 n TYR 432 Ca -0.09 -1.93 -0.04 0.00 -0.16 0.00 0.00 57.90 55.69 1wj2 n TYR 432 Cb 0.50 -0.35 -0.07 0.00 -0.31 0.00 0.00 39.34 39.12 1wj2 n TYR 432 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1wj2 s LYS 433 N -3.77 0.38 -0.55 -0.72 0.00 -0.43 -1.46 119.74 113.18 1wj2 s LYS 433 Ca 0.20 0.60 -0.27 0.00 0.00 0.00 0.00 55.97 56.50 1wj2 s LYS 433 Cb -0.02 0.11 -0.02 0.00 0.00 0.00 0.00 37.83 37.90 1wj2 s LYS 433 CO 0.13 -0.07 1.80 0.00 0.00 0.00 0.00 175.35 177.20 1wj2 n THR 435 N 7.21 5.17 -3.93 0.00 5.66 -0.66 -2.49 114.28 125.23 1wj2 n THR 435 Ca 0.20 -5.68 -0.30 0.00 -3.05 0.00 0.00 64.05 55.22 1wj2 n THR 435 Cb 0.51 -2.14 -0.04 0.00 -1.55 0.00 0.00 70.33 67.11 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 -2.24 5.35 -0.86 1.09 2.01 -0.95 -4.96 115.64 115.07 1wj2 s THR 436 Ca 0.32 -0.48 -0.21 0.00 0.31 0.00 0.00 61.69 61.64 1wj2 s THR 436 Cb 0.05 -3.65 -0.22 0.00 0.01 0.00 0.00 72.50 68.70 1wj2 s THR 436 CO 0.09 0.08 2.38 -2.65 -0.69 0.00 0.00 174.62 173.82 1wj2 n PRO 437 N 0.08 0.32 0.00 4.92 -0.02 -1.26 0.85 135.00 139.88 1wj2 n PRO 437 Ca -0.06 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.18 1wj2 n PRO 437 Cb 0.52 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 6.15 2.79 3.81 -1.23 0.00 -1.26 -5.00 105.19 110.45 1wj2 n GLY 438 Ca 0.57 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.22 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 2.42 3.61 3.79 0.00 0.00 -1.24 -2.25 105.19 111.52 1wj2 n GLY 440 Ca -0.15 -1.75 -0.39 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.33 4.48 0.04 1.61 1.01 -1.04 -4.90 120.40 119.27 1wj2 s VAL 441 Ca 0.40 1.52 0.08 0.00 0.00 0.00 0.00 61.98 63.98 1wj2 s VAL 441 Cb 0.31 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1wj2 s VAL 441 CO -0.09 0.46 -0.20 -0.13 0.00 0.00 0.00 175.10 175.14 1wj2 s ARG 442 N -1.32 2.00 -0.02 2.72 1.81 -0.34 0.11 118.95 123.92 1wj2 s ARG 442 Ca 0.36 -1.01 -0.03 0.00 -1.72 0.00 0.00 55.73 53.33 1wj2 s ARG 442 Cb -0.21 -2.13 0.00 0.00 -0.45 0.00 0.00 34.95 32.16 1wj2 s ARG 442 CO 0.24 0.53 0.07 -1.59 -0.68 0.00 0.00 175.30 173.87 1wj2 s LYS 443 N -1.38 0.19 0.08 3.54 -2.85 -0.54 -0.51 119.74 118.27 1wj2 s LYS 443 Ca 0.14 -0.09 0.05 0.00 -1.00 0.00 0.00 55.97 55.07 1wj2 s LYS 443 Cb -0.10 0.08 -0.04 0.00 -2.06 0.00 0.00 37.83 35.71 1wj2 s LYS 443 CO 0.04 -0.03 -0.05 -1.01 0.10 0.00 0.00 175.35 174.40 1wj2 s HIS 444 N -0.43 2.87 -0.30 1.78 3.76 -0.65 -1.59 115.29 120.73 1wj2 s HIS 444 Ca -0.05 -0.08 0.01 0.00 -0.15 0.00 0.00 55.06 54.79 1wj2 s HIS 444 Cb -0.03 -1.51 0.09 0.00 1.11 0.00 0.00 32.58 32.24 1wj2 s HIS 444 CO 0.00 0.44 0.05 0.08 -0.85 0.00 0.00 174.74 174.46 1wj2 s VAL 445 N -1.21 1.37 -0.27 -0.90 1.01 -0.37 -2.04 120.40 117.98 1wj2 s VAL 445 Ca 0.22 -1.58 -0.03 0.00 0.00 0.00 0.00 61.98 60.59 1wj2 s VAL 445 Cb -0.11 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.35 1wj2 s VAL 445 CO 0.14 -0.52 -0.01 -1.61 0.00 0.00 0.00 175.10 173.11 1wj2 s GLU 446 N 1.39 2.81 -0.45 2.72 2.02 0.08 -2.71 118.70 124.55 1wj2 s GLU 446 Ca 0.07 -1.01 -0.21 0.00 0.02 0.00 0.00 54.97 53.84 1wj2 s GLU 446 Cb -0.18 -3.14 0.03 0.00 0.10 0.00 0.00 34.13 30.94 1wj2 s GLU 446 CO -0.16 -0.47 0.65 1.03 0.02 0.00 0.00 175.26 176.34 1wj2 s ARG 447 N 1.36 3.25 -0.30 1.61 0.52 -1.26 -0.41 118.95 123.72 1wj2 s ARG 447 Ca -0.00 -0.45 -0.29 0.00 -0.52 0.00 0.00 55.73 54.47 1wj2 s ARG 447 Cb -0.18 -3.98 -0.01 0.00 0.52 0.00 0.00 34.95 31.30 1wj2 s ARG 447 CO -0.02 -1.07 1.57 0.00 0.02 0.00 0.00 175.30 175.81 1wj2 s ALA 448 N 2.85 3.15 0.06 2.13 0.00 0.17 -4.87 121.76 125.24 1wj2 s ALA 448 Ca 0.22 0.24 0.07 0.00 0.00 0.00 0.00 51.96 52.49 1wj2 s ALA 448 Cb -0.15 -3.90 -0.23 0.00 0.00 0.00 0.00 23.12 18.85 1wj2 s ALA 448 CO 0.18 -2.17 1.04 0.00 0.00 0.00 0.00 175.76 174.81 1wj2 h ALA 449 N 11.01 0.46 -0.18 0.00 0.00 -1.95 -3.01 119.26 125.59 1wj2 h ALA 449 Ca -0.31 -1.10 0.05 0.00 0.00 0.00 0.00 54.91 53.55 1wj2 h ALA 449 Cb 1.14 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1wj2 h ALA 449 CO 1.03 1.33 0.28 0.00 0.00 0.00 0.00 179.25 181.89 1wj2 h THR 450 N 0.01 0.28 -2.01 0.00 1.03 -1.96 -3.42 112.91 106.85 1wj2 h THR 450 Ca -0.12 0.00 -0.45 0.00 -0.01 0.00 0.00 66.41 65.82 1wj2 h THR 450 Cb 1.88 0.76 -0.00 0.00 -1.07 0.00 0.00 68.15 69.71 1wj2 h THR 450 CO 0.12 0.00 -0.39 -0.62 -0.01 0.00 0.00 175.52 174.62 1wj2 s ASP 451 N -5.25 6.12 0.46 0.00 2.15 -1.24 -4.99 116.67 113.91 1wj2 s ASP 451 Ca -0.04 -0.07 0.22 0.00 0.43 0.00 0.00 52.55 53.09 1wj2 s ASP 451 Cb 0.13 -1.54 1.22 0.00 -0.30 0.00 0.00 42.92 42.43 1wj2 s ASP 451 CO 0.47 -0.24 1.87 -0.65 -0.17 0.00 0.00 175.17 176.45 1wj2 h PRO 452 N 1.06 0.26 0.00 4.34 0.11 -1.86 -3.38 132.00 132.52 1wj2 h PRO 452 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1wj2 h PRO 452 Cb 1.24 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1wj2 h PRO 452 CO 0.57 0.17 0.00 1.17 -0.21 0.00 0.00 178.00 179.70 1wj2 n LYS 453 N -4.44 0.00 -4.17 1.05 4.81 -1.26 -5.09 118.16 109.06 1wj2 n LYS 453 Ca 0.18 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.27 1wj2 n LYS 453 Cb 0.76 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.72 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 0.00 3.41 -0.45 3.14 0.00 -1.14 -5.02 121.76 121.71 1wj2 s ALA 454 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.23 1wj2 s ALA 454 Cb 0.00 -1.71 0.16 0.00 0.00 0.00 0.00 23.12 21.56 1wj2 s ALA 454 CO 0.00 0.43 0.31 0.08 0.00 0.00 0.00 175.76 176.59 1wj2 s VAL 455 N -0.40 0.88 0.35 0.00 1.01 -1.26 0.42 120.40 121.39 1wj2 s VAL 455 Ca 0.09 -2.67 -0.26 0.00 0.00 0.00 0.00 61.98 59.14 1wj2 s VAL 455 Cb -0.12 -1.61 -0.09 0.00 0.00 0.00 0.00 36.38 34.55 1wj2 s VAL 455 CO 0.02 -1.08 1.00 0.54 0.00 0.00 0.00 175.10 175.58 1wj2 s VAL 456 N 0.11 3.95 -0.07 2.92 0.11 0.45 -4.91 120.40 122.96 1wj2 s VAL 456 Ca 0.25 1.60 -0.03 0.00 -2.93 0.00 0.00 61.98 60.88 1wj2 s VAL 456 Cb -0.09 -3.88 0.04 0.00 -1.53 0.00 0.00 36.38 30.92 1wj2 s VAL 456 CO -0.11 0.12 0.16 -0.89 -3.33 0.00 0.00 175.10 171.04 1wj2 s THR 457 N -1.58 -0.06 0.02 5.04 2.01 -1.26 -0.74 115.64 119.07 1wj2 s THR 457 Ca 0.52 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.72 1wj2 s THR 457 Cb -0.21 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 1wj2 s THR 457 CO 0.27 0.08 0.08 -0.89 -0.69 0.00 0.00 174.62 173.47 1wj2 s THR 458 N 1.25 4.67 -0.11 -0.82 2.01 -0.87 -4.95 115.64 116.82 1wj2 s THR 458 Ca -0.08 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.42 1wj2 s THR 458 Cb -0.12 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.23 1wj2 s THR 458 CO -0.06 0.27 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.61 1wj2 s TYR 459 N -1.26 2.47 -0.15 4.92 1.51 -1.26 -1.63 117.35 121.95 1wj2 s TYR 459 Ca 0.25 -1.08 -0.00 0.00 -1.01 0.00 0.00 57.07 55.23 1wj2 s TYR 459 Cb -0.12 -1.67 0.03 0.00 -0.11 0.00 0.00 41.96 40.09 1wj2 s TYR 459 CO 0.17 -0.46 -0.09 -1.21 -1.11 0.00 0.00 175.55 172.85 1wj2 s GLU 460 N 0.53 1.72 0.00 -0.62 8.01 0.33 -5.02 118.70 123.65 1wj2 s GLU 460 Ca -0.15 -0.47 0.00 0.00 0.01 0.00 0.00 54.97 54.37 1wj2 s GLU 460 Cb -0.17 -1.92 0.00 0.00 -4.31 0.00 0.00 34.13 27.73 1wj2 s GLU 460 CO 0.05 -0.33 0.00 0.41 0.01 0.00 0.00 175.26 175.40 1wj2 n GLY 461 N 4.86 1.27 3.23 -1.39 0.00 -1.26 -1.20 105.19 110.70 1wj2 n GLY 461 Ca -0.13 -2.12 -0.16 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.56 1.01 0.07 1.61 1.02 -1.26 -4.95 119.74 115.68 1wj2 s LYS 462 Ca 0.00 -1.31 -0.22 0.00 0.02 0.00 0.00 55.97 54.46 1wj2 s LYS 462 Cb 0.00 -0.72 -0.06 0.00 -0.52 0.00 0.00 37.83 36.53 1wj2 s LYS 462 CO 0.00 0.11 0.67 -1.01 -0.92 0.00 0.00 175.35 174.20 1wj2 s HIS 463 N -2.69 3.79 -0.16 3.18 3.76 -1.26 -4.73 115.29 117.18 1wj2 s HIS 463 Ca 0.11 1.39 0.15 0.00 -0.15 0.00 0.00 55.06 56.56 1wj2 s HIS 463 Cb -0.01 -2.66 0.43 0.00 1.11 0.00 0.00 32.58 31.44 1wj2 s HIS 463 CO 0.02 0.45 1.20 0.09 -0.85 0.00 0.00 174.74 175.64 1wj2 n ASN 464 N 2.16 1.71 -3.99 1.40 3.02 -1.26 -5.05 115.26 113.26 1wj2 n ASN 464 Ca -0.07 -3.35 -0.08 0.00 -0.03 0.00 0.00 54.58 51.05 1wj2 n ASN 464 Cb 0.50 -0.46 -0.10 0.00 -0.61 0.00 0.00 39.78 39.12 1wj2 n ASN 464 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1wj2 s HIS 465 N -2.41 0.32 0.88 3.10 -3.43 -1.26 -4.94 115.29 107.55 1wj2 s HIS 465 Ca 0.37 -0.73 -0.11 0.00 -0.80 0.00 0.00 55.06 53.80 1wj2 s HIS 465 Cb 0.38 -0.23 0.12 0.00 -1.43 0.00 0.00 32.58 31.42 1wj2 s HIS 465 CO -0.09 -0.37 1.10 -0.51 -2.00 0.00 0.00 174.74 172.87 1wj2 s ASP 466 N -2.41 3.50 -0.40 7.38 1.11 -1.26 -4.95 116.67 119.64 1wj2 s ASP 466 Ca -0.01 1.77 -0.29 0.00 0.18 0.00 0.00 52.55 54.20 1wj2 s ASP 466 Cb 0.02 -2.40 0.02 0.00 1.07 0.00 0.00 42.92 41.63 1wj2 s ASP 466 CO -0.07 -2.66 1.10 -0.76 1.18 0.00 0.00 175.17 173.96 1wj2 s LEU 467 N -6.29 3.79 0.00 1.23 1.43 -1.26 -5.03 118.68 112.55 1wj2 s LEU 467 Ca 0.64 0.75 -0.16 0.00 -1.03 0.00 0.00 54.13 54.33 1wj2 s LEU 467 Cb -0.19 -3.54 0.23 0.00 0.03 0.00 0.00 46.19 42.72 1wj2 s LEU 467 CO 0.57 -1.07 0.96 -0.81 0.23 0.00 0.00 176.35 176.24 1wj2 n PRO 468 N 7.35 -2.25 0.00 1.29 -0.04 -1.26 -5.13 135.00 134.96 1wj2 n PRO 468 Ca 0.12 -1.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.07 1wj2 n PRO 468 Cb 0.48 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1wj2 n PRO 468 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46