#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 0.75 -0.31 7.34 2.00 -1.26 -5.11 119.66 123.07 1wj2 s GLN 400 Ca 0.00 -1.27 -0.12 0.00 -2.00 0.00 0.00 55.36 51.97 1wj2 s GLN 400 Cb 0.00 -0.89 -0.03 0.00 0.80 0.00 0.00 33.01 32.89 1wj2 s GLN 400 CO 0.00 -1.27 0.21 -0.08 -0.50 0.00 0.00 175.29 173.65 1wj2 s THR 401 N 0.95 5.21 -0.29 -0.34 -1.32 -1.26 -5.04 115.64 113.55 1wj2 s THR 401 Ca 0.23 -0.06 -0.01 0.00 -1.21 0.00 0.00 61.69 60.63 1wj2 s THR 401 Cb -0.10 -3.59 0.09 0.00 -1.51 0.00 0.00 72.50 67.40 1wj2 s THR 401 CO -0.07 0.12 0.08 -0.89 -2.21 0.00 0.00 174.62 171.66 1wj2 s THR 402 N 1.73 0.81 0.22 5.08 2.01 -1.26 -5.12 115.64 119.10 1wj2 s THR 402 Ca 0.06 -1.24 -0.30 0.00 0.31 0.00 0.00 61.69 60.52 1wj2 s THR 402 Cb -0.17 -1.55 -0.09 0.00 0.01 0.00 0.00 72.50 70.71 1wj2 s THR 402 CO 0.10 -0.59 0.93 -0.94 -0.69 0.00 0.00 174.62 173.44 1wj2 s SER 403 N 1.67 7.62 -0.44 3.53 1.04 -1.26 -5.02 113.70 120.84 1wj2 s SER 403 Ca 0.08 1.91 -0.22 0.00 0.48 0.00 0.00 55.95 58.20 1wj2 s SER 403 Cb -0.17 -2.60 0.02 0.00 0.10 0.00 0.00 66.02 63.37 1wj2 s SER 403 CO -0.23 0.13 0.71 -0.70 0.98 0.00 0.00 173.24 174.14 1wj2 s GLU 404 N -1.02 3.36 -0.26 4.02 2.56 -1.26 -5.03 118.70 121.08 1wj2 s GLU 404 Ca 0.41 -0.22 -0.26 0.00 0.00 0.00 0.00 54.97 54.91 1wj2 s GLU 404 Cb -0.25 -3.94 0.00 0.00 2.00 0.00 0.00 34.13 31.94 1wj2 s GLU 404 CO 0.31 -1.04 0.91 0.14 -0.56 0.00 0.00 175.26 175.01 1wj2 s VAL 405 N 3.04 4.75 -0.17 3.70 -7.23 -1.26 -5.03 120.40 118.19 1wj2 s VAL 405 Ca 0.26 1.64 -0.03 0.00 -1.81 0.00 0.00 61.98 62.05 1wj2 s VAL 405 Cb -0.13 -4.21 -0.02 0.00 0.56 0.00 0.00 36.38 32.58 1wj2 s VAL 405 CO 0.20 -0.18 -0.06 -1.81 -0.31 0.00 0.00 175.10 172.94 1wj2 s ASP 406 N 1.39 4.44 -0.12 4.85 1.01 -1.26 -5.06 116.67 121.91 1wj2 s ASP 406 Ca 0.38 -0.26 -0.18 0.00 0.71 0.00 0.00 52.55 53.19 1wj2 s ASP 406 Cb -0.15 -1.72 -0.04 0.00 1.01 0.00 0.00 42.92 42.02 1wj2 s ASP 406 CO 0.09 0.11 0.49 -0.76 0.21 0.00 0.00 175.17 175.31 1wj2 s LEU 407 N 0.71 4.27 -0.80 1.23 2.01 -1.26 -4.98 118.68 119.86 1wj2 s LEU 407 Ca -0.03 0.82 -0.05 0.00 0.01 0.00 0.00 54.13 54.88 1wj2 s LEU 407 Cb -0.15 -2.72 0.02 0.00 0.01 0.00 0.00 46.19 43.36 1wj2 s LEU 407 CO 0.02 -0.02 2.78 0.18 1.01 0.00 0.00 176.35 180.32 1wj2 n LEU 408 N 3.76 7.07 0.00 1.79 4.77 -1.26 -4.93 117.00 128.20 1wj2 n LEU 408 Ca -0.07 -4.25 -0.14 0.00 -0.03 0.00 0.00 56.01 51.52 1wj2 n LEU 408 Cb 0.51 -1.33 0.06 0.00 -2.33 0.00 0.00 43.42 40.33 1wj2 n LEU 408 CO 0.43 1.88 0.31 -0.67 -1.33 0.00 0.00 177.39 178.00 1wj2 n ASP 409 N 1.65 1.05 -1.24 -1.43 2.03 -1.26 -5.03 116.55 112.33 1wj2 n ASP 409 Ca 0.56 -1.83 -0.06 0.00 0.52 0.00 0.00 54.79 53.98 1wj2 n ASP 409 Cb 0.47 -0.36 0.18 0.00 -0.72 0.00 0.00 41.12 40.69 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 -2.79 2.77 0.00 1.67 8.00 -1.26 -4.89 116.55 120.05 1wj2 n ASP 410 Ca 0.10 -3.81 0.00 0.00 0.71 0.00 0.00 54.79 51.80 1wj2 n ASP 410 Cb 0.38 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 1wj2 n ASP 410 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wj2 n GLY 411 N -1.09 2.78 3.78 0.44 0.00 -1.26 -4.82 105.19 105.02 1wj2 n GLY 411 Ca 0.34 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 2.61 -0.36 1.61 2.02 -1.26 -4.63 117.35 117.34 1wj2 s TYR 412 Ca 0.00 1.11 -0.04 0.00 -0.37 0.00 0.00 57.07 57.77 1wj2 s TYR 412 Cb 0.00 -4.03 0.07 0.00 -0.40 0.00 0.00 41.96 37.60 1wj2 s TYR 412 CO 0.00 -3.07 0.12 1.03 -1.57 0.00 0.00 175.55 172.06 1wj2 s ARG 413 N -1.87 2.38 -0.02 -0.62 3.00 -1.26 -4.68 118.95 115.88 1wj2 s ARG 413 Ca 0.54 -1.43 -0.04 0.00 0.00 0.00 0.00 55.73 54.79 1wj2 s ARG 413 Cb -0.47 -3.46 -0.04 0.00 0.00 0.00 0.00 34.95 30.98 1wj2 s ARG 413 CO 0.61 -0.81 0.20 -1.58 0.00 0.00 0.00 175.30 173.72 1wj2 s TRP 414 N 1.28 3.56 0.03 -0.53 0.52 -1.26 -0.91 118.94 121.64 1wj2 s TRP 414 Ca 0.01 0.45 0.09 0.00 0.02 0.00 0.00 56.10 56.66 1wj2 s TRP 414 Cb -0.21 -1.89 -0.03 0.00 -1.15 0.00 0.00 33.47 30.19 1wj2 s TRP 414 CO -0.01 0.65 -0.26 0.50 0.02 0.00 0.00 176.95 177.86 1wj2 s ARG 415 N -1.76 1.85 0.33 4.98 3.52 0.11 -4.72 118.95 123.26 1wj2 s ARG 415 Ca 0.26 -1.04 -0.26 0.00 -0.13 0.00 0.00 55.73 54.56 1wj2 s ARG 415 Cb -0.13 -1.95 -0.10 0.00 -1.56 0.00 0.00 34.95 31.22 1wj2 s ARG 415 CO 0.16 0.51 0.95 0.21 -0.81 0.00 0.00 175.30 176.33 1wj2 s LYS 416 N -1.04 4.55 0.00 5.12 2.20 -1.26 -0.46 119.74 128.85 1wj2 s LYS 416 Ca 0.11 1.35 0.00 0.00 -0.36 0.00 0.00 55.97 57.06 1wj2 s LYS 416 Cb -0.10 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1wj2 s LYS 416 CO 0.01 0.25 0.00 2.48 -0.36 0.00 0.00 175.35 177.73 1wj2 n TYR 417 N 0.51 -0.16 -4.45 4.03 4.11 -1.09 -4.97 117.16 115.14 1wj2 n TYR 417 Ca 0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.69 1wj2 n TYR 417 Cb 0.50 0.36 -0.10 0.00 -0.00 0.00 0.00 39.34 40.10 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 -4.22 1.84 -0.07 -7.48 0.00 -1.26 -5.04 107.32 91.09 1wj2 s GLY 418 Ca 0.00 -1.87 -0.31 0.00 0.00 0.00 0.00 44.72 42.55 1wj2 s GLY 418 CO 0.00 -1.93 0.74 -0.86 0.00 0.00 0.00 173.10 171.05 1wj2 s GLN 419 N -3.56 0.98 0.27 2.90 -2.07 -1.26 -1.23 119.66 115.69 1wj2 s GLN 419 Ca 0.29 0.22 0.02 0.00 -1.82 0.00 0.00 55.36 54.07 1wj2 s GLN 419 Cb -0.03 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 32.30 1wj2 s GLN 419 CO 0.14 -0.31 0.07 0.15 -1.32 0.00 0.00 175.29 174.01 1wj2 s LYS 420 N -1.24 1.46 -0.01 9.60 1.02 0.69 -5.00 119.74 126.26 1wj2 s LYS 420 Ca -0.09 -1.79 0.05 0.00 0.02 0.00 0.00 55.97 54.16 1wj2 s LYS 420 Cb -0.00 -0.50 -0.01 0.00 -0.52 0.00 0.00 37.83 36.80 1wj2 s LYS 420 CO 0.08 -0.23 -0.15 0.54 -0.92 0.00 0.00 175.35 174.67 1wj2 s VAL 421 N -3.56 1.17 0.02 3.17 0.11 -1.26 -0.23 120.40 119.81 1wj2 s VAL 421 Ca 0.36 -0.65 0.08 0.00 -2.93 0.00 0.00 61.98 58.84 1wj2 s VAL 421 Cb 0.08 -0.98 -0.03 0.00 -1.53 0.00 0.00 36.38 33.93 1wj2 s VAL 421 CO 0.13 0.32 -0.25 -0.69 -3.33 0.00 0.00 175.10 171.27 1wj2 s VAL 422 N -0.37 2.19 0.08 2.04 1.01 -1.26 -4.97 120.40 119.12 1wj2 s VAL 422 Ca 0.06 -1.25 -0.31 0.00 0.00 0.00 0.00 61.98 60.48 1wj2 s VAL 422 Cb -0.06 -1.82 -0.06 0.00 0.00 0.00 0.00 36.38 34.44 1wj2 s VAL 422 CO -0.00 0.45 1.21 -0.54 0.00 0.00 0.00 175.10 176.22 1wj2 s LYS 423 N -1.01 4.44 0.00 2.72 1.02 -1.26 -3.11 119.74 122.53 1wj2 s LYS 423 Ca 0.11 1.81 0.00 0.00 0.02 0.00 0.00 55.97 57.91 1wj2 s LYS 423 Cb -0.10 -3.32 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 1wj2 s LYS 423 CO 0.01 -0.24 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 1wj2 n GLY 424 N 3.08 2.86 3.56 -3.33 0.00 -1.26 -5.01 105.19 105.10 1wj2 n GLY 424 Ca 0.08 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 0.60 6.46 0.19 1.61 0.01 -1.18 -4.91 114.94 117.71 1wj2 s ASN 425 Ca 0.00 0.06 0.19 0.00 -0.71 0.00 0.00 52.86 52.40 1wj2 s ASN 425 Cb 0.00 -2.38 0.85 0.00 0.41 0.00 0.00 41.25 40.13 1wj2 s ASN 425 CO 0.00 -0.83 1.59 -0.81 -1.51 0.00 0.00 177.10 175.54 1wj2 n PRO 426 N 6.57 0.13 -3.68 -0.60 -0.04 -1.26 -4.24 135.00 131.88 1wj2 n PRO 426 Ca 0.02 0.43 -0.38 0.00 -0.04 0.00 0.00 63.50 63.53 1wj2 n PRO 426 Cb 0.48 -1.77 -0.09 0.00 -0.04 0.00 0.00 33.50 32.08 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 -3.26 3.49 1.06 0.54 2.02 -1.26 -5.09 117.35 114.84 1wj2 s TYR 427 Ca 0.03 -2.45 -0.16 0.00 -0.37 0.00 0.00 57.07 54.12 1wj2 s TYR 427 Cb 0.08 -3.30 0.13 0.00 -0.40 0.00 0.00 41.96 38.47 1wj2 s TYR 427 CO 0.30 -0.91 0.12 -2.30 -1.57 0.00 0.00 175.55 171.18 1wj2 n PRO 428 N 4.02 -2.00 -4.09 -1.71 -0.02 -1.26 -4.50 135.00 125.45 1wj2 n PRO 428 Ca 0.03 -0.58 -0.35 0.00 -2.02 0.00 0.00 63.50 60.58 1wj2 n PRO 428 Cb 0.40 -1.53 -0.09 0.00 -0.02 0.00 0.00 33.50 32.26 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 -3.41 3.69 0.18 -0.52 0.52 0.68 -4.48 118.95 115.61 1wj2 s ARG 429 Ca 0.43 -0.34 0.11 0.00 -0.52 0.00 0.00 55.73 55.41 1wj2 s ARG 429 Cb -0.07 -3.11 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 1wj2 s ARG 429 CO 0.47 0.43 -0.23 -1.12 0.02 0.00 0.00 175.30 174.87 1wj2 s SER 430 N -0.08 3.27 -0.02 0.23 0.01 -1.11 -0.23 113.70 115.77 1wj2 s SER 430 Ca 0.06 -0.86 0.04 0.00 1.31 0.00 0.00 55.95 56.51 1wj2 s SER 430 Cb -0.12 -0.23 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 1wj2 s SER 430 CO 0.01 0.09 -0.15 -0.31 0.41 0.00 0.00 173.24 173.30 1wj2 s TYR 431 N -1.69 1.41 0.38 2.43 1.51 -0.37 -1.91 117.35 119.11 1wj2 s TYR 431 Ca 0.19 -0.33 0.05 0.00 -1.01 0.00 0.00 57.07 55.97 1wj2 s TYR 431 Cb -0.08 -0.93 -0.06 0.00 -0.11 0.00 0.00 41.96 40.78 1wj2 s TYR 431 CO 0.09 -0.08 0.04 0.71 -1.11 0.00 0.00 175.55 175.20 1wj2 s TYR 432 N -0.15 2.12 -0.21 2.71 1.51 -1.01 -2.67 117.35 119.65 1wj2 s TYR 432 Ca 0.01 -0.90 -0.11 0.00 -1.01 0.00 0.00 57.07 55.07 1wj2 s TYR 432 Cb -0.08 -1.47 0.07 0.00 -0.11 0.00 0.00 41.96 40.37 1wj2 s TYR 432 CO 0.00 0.15 0.51 -1.59 -1.11 0.00 0.00 175.55 173.51 1wj2 s LYS 433 N -3.81 0.50 -0.45 -0.62 -2.85 0.40 -0.45 119.74 112.45 1wj2 s LYS 433 Ca 0.31 0.98 -0.27 0.00 -1.00 0.00 0.00 55.97 55.99 1wj2 s LYS 433 Cb 0.08 0.09 -0.05 0.00 -2.06 0.00 0.00 37.83 35.88 1wj2 s LYS 433 CO 0.15 -0.16 2.17 0.00 0.10 0.00 0.00 175.35 177.61 1wj2 n THR 435 N 7.70 5.27 -3.80 0.00 -2.24 -0.08 -2.63 114.28 118.51 1wj2 n THR 435 Ca 0.30 -5.87 -0.20 0.00 -2.27 0.00 0.00 64.05 56.00 1wj2 n THR 435 Cb 0.51 -2.12 -0.01 0.00 -2.10 0.00 0.00 70.33 66.61 1wj2 n THR 435 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1wj2 s THR 436 N -2.63 4.83 -0.86 4.28 2.01 -1.00 -4.93 115.64 117.34 1wj2 s THR 436 Ca 0.31 -1.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.12 1wj2 s THR 436 Cb 0.04 -3.69 -0.21 0.00 0.01 0.00 0.00 72.50 68.64 1wj2 s THR 436 CO 0.09 -0.27 2.29 -2.65 -0.69 0.00 0.00 174.62 173.39 1wj2 n PRO 437 N -1.49 0.34 0.00 4.92 -0.02 -1.26 -0.38 135.00 137.11 1wj2 n PRO 437 Ca -0.06 -0.57 0.00 0.00 -2.02 0.00 0.00 63.50 60.85 1wj2 n PRO 437 Cb 0.57 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 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 6.29 2.97 3.73 -1.23 0.00 -1.26 -5.02 105.19 110.66 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 2.81 3.95 3.90 0.00 0.00 -1.25 -2.39 105.19 112.22 1wj2 n GLY 440 Ca -0.01 -1.97 -0.29 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 -2.58 5.01 0.07 1.61 1.01 -1.08 -4.93 120.40 119.51 1wj2 s VAL 441 Ca 0.41 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.57 1wj2 s VAL 441 Cb 0.28 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1wj2 s VAL 441 CO -0.09 -0.29 -0.17 -0.13 0.00 0.00 0.00 175.10 174.42 1wj2 s ARG 442 N -3.45 0.99 0.05 2.72 0.52 -1.17 0.44 118.95 119.05 1wj2 s ARG 442 Ca 0.44 -0.96 -0.02 0.00 -0.52 0.00 0.00 55.73 54.67 1wj2 s ARG 442 Cb -0.11 -1.08 -0.03 0.00 0.52 0.00 0.00 34.95 34.24 1wj2 s ARG 442 CO 0.29 0.26 -0.00 -1.59 0.02 0.00 0.00 175.30 174.27 1wj2 s LYS 443 N -1.58 0.64 -0.14 3.54 -2.85 0.40 -0.69 119.74 119.06 1wj2 s LYS 443 Ca 0.02 -1.18 0.01 0.00 -1.00 0.00 0.00 55.97 53.83 1wj2 s LYS 443 Cb -0.09 0.23 0.02 0.00 -2.06 0.00 0.00 37.83 35.92 1wj2 s LYS 443 CO 0.03 -0.13 -0.18 -1.01 0.10 0.00 0.00 175.35 174.16 1wj2 s HIS 444 N -3.88 2.39 -0.08 1.78 3.76 -0.63 -2.39 115.29 116.24 1wj2 s HIS 444 Ca 0.06 -1.27 0.01 0.00 -0.15 0.00 0.00 55.06 53.72 1wj2 s HIS 444 Cb 0.07 -1.68 -0.02 0.00 1.11 0.00 0.00 32.58 32.06 1wj2 s HIS 444 CO -0.10 -0.63 -0.11 0.08 -0.85 0.00 0.00 174.74 173.13 1wj2 s VAL 445 N 1.13 3.34 -0.04 -0.90 1.01 -0.80 -1.65 120.40 122.49 1wj2 s VAL 445 Ca -0.01 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 1wj2 s VAL 445 Cb -0.14 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.89 1wj2 s VAL 445 CO -0.06 0.57 0.09 -1.61 0.00 0.00 0.00 175.10 174.08 1wj2 s GLU 446 N -0.42 0.07 -0.84 2.72 2.02 -0.91 -2.73 118.70 118.61 1wj2 s GLU 446 Ca 0.05 0.18 -0.14 0.00 0.02 0.00 0.00 54.97 55.09 1wj2 s GLU 446 Cb -0.12 -0.05 0.22 0.00 0.10 0.00 0.00 34.13 34.28 1wj2 s GLU 446 CO 0.02 -0.07 0.78 1.03 0.02 0.00 0.00 175.26 177.04 1wj2 s ARG 447 N 0.47 3.63 -0.02 1.61 0.52 -1.26 -2.47 118.95 121.43 1wj2 s ARG 447 Ca -0.04 -2.50 -0.30 0.00 -0.52 0.00 0.00 55.73 52.37 1wj2 s ARG 447 Cb -0.05 -4.43 -0.08 0.00 0.52 0.00 0.00 34.95 30.91 1wj2 s ARG 447 CO -0.02 -1.29 2.03 0.00 0.02 0.00 0.00 175.30 176.05 1wj2 s ALA 448 N 0.08 3.38 -0.17 2.13 0.00 0.83 -4.79 121.76 123.24 1wj2 s ALA 448 Ca 0.19 1.20 0.18 0.00 0.00 0.00 0.00 51.96 53.53 1wj2 s ALA 448 Cb -0.10 -3.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.08 1wj2 s ALA 448 CO -0.09 -1.86 1.04 0.00 0.00 0.00 0.00 175.76 174.85 1wj2 h ALA 449 N 11.64 0.64 -0.98 0.00 0.00 -1.94 -3.04 119.26 125.59 1wj2 h ALA 449 Ca -0.48 -0.54 0.19 0.00 0.00 0.00 0.00 54.91 54.08 1wj2 h ALA 449 Cb 1.24 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 1wj2 h ALA 449 CO 0.95 0.62 0.61 1.79 0.00 0.00 0.00 179.25 183.22 1wj2 h THR 450 N 0.00 0.71 -1.92 0.00 1.35 -1.97 -3.42 112.91 107.67 1wj2 h THR 450 Ca -0.09 -0.23 -0.45 0.00 -0.55 0.00 0.00 66.41 65.10 1wj2 h THR 450 Cb 1.39 -0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1wj2 h THR 450 CO 0.04 0.12 -0.37 -0.62 -0.25 0.00 0.00 175.52 174.44 1wj2 s ASP 451 N -5.51 6.08 0.54 5.36 2.15 -1.26 -4.99 116.67 119.05 1wj2 s ASP 451 Ca -0.10 -0.10 0.33 0.00 0.43 0.00 0.00 52.55 53.10 1wj2 s ASP 451 Cb 0.24 -1.43 1.50 0.00 -0.30 0.00 0.00 42.92 42.93 1wj2 s ASP 451 CO 0.80 -0.32 1.87 -0.65 -0.17 0.00 0.00 175.17 176.70 1wj2 h PRO 452 N 0.98 0.00 -0.00 4.34 0.11 -1.87 -3.37 132.00 132.18 1wj2 h PRO 452 Ca -0.48 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.66 1wj2 h PRO 452 Cb 1.25 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.21 1wj2 h PRO 452 CO 0.55 0.00 -0.03 1.17 -0.21 0.00 0.00 178.00 179.49 1wj2 n LYS 453 N -4.22 0.00 -3.76 1.05 0.00 -1.26 -5.08 118.16 104.89 1wj2 n LYS 453 Ca 0.20 -0.51 -0.35 0.00 0.00 0.00 0.00 58.31 57.65 1wj2 n LYS 453 Cb 1.01 0.39 -0.08 0.00 0.00 0.00 0.00 35.03 36.35 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 0.79 3.69 -0.41 3.14 0.00 -1.15 -5.01 121.76 122.81 1wj2 s ALA 454 Ca 0.23 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.52 1wj2 s ALA 454 Cb 0.17 -2.13 0.12 0.00 0.00 0.00 0.00 23.12 21.28 1wj2 s ALA 454 CO -0.11 0.21 0.18 0.08 0.00 0.00 0.00 175.76 176.12 1wj2 s VAL 455 N 0.23 1.56 -0.14 0.00 1.01 -1.26 -0.12 120.40 121.68 1wj2 s VAL 455 Ca 0.08 -2.37 -0.20 0.00 0.00 0.00 0.00 61.98 59.49 1wj2 s VAL 455 Cb -0.11 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 1wj2 s VAL 455 CO -0.01 -0.79 0.57 0.54 0.00 0.00 0.00 175.10 175.41 1wj2 s VAL 456 N 0.62 5.10 0.05 2.92 0.11 -1.03 -4.95 120.40 123.22 1wj2 s VAL 456 Ca 0.15 1.13 0.06 0.00 -2.93 0.00 0.00 61.98 60.39 1wj2 s VAL 456 Cb -0.22 -3.90 -0.03 0.00 -1.53 0.00 0.00 36.38 30.70 1wj2 s VAL 456 CO -0.06 0.23 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.87 1wj2 s THR 457 N 1.14 1.43 0.03 5.04 2.01 -1.26 -2.14 115.64 121.89 1wj2 s THR 457 Ca 0.29 -1.18 0.05 0.00 0.31 0.00 0.00 61.69 61.16 1wj2 s THR 457 Cb -0.16 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 71.06 1wj2 s THR 457 CO 0.12 0.06 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.08 1wj2 s THR 458 N -0.90 1.13 0.00 -0.82 2.01 -0.66 -4.96 115.64 111.44 1wj2 s THR 458 Ca 0.04 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 61.12 1wj2 s THR 458 Cb -0.09 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 1wj2 s THR 458 CO 0.02 0.04 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.56 1wj2 s TYR 459 N -0.80 2.75 -0.42 4.92 1.51 -1.26 -1.60 117.35 122.44 1wj2 s TYR 459 Ca 0.02 -0.13 0.02 0.00 -1.01 0.00 0.00 57.07 55.97 1wj2 s TYR 459 Cb -0.08 -1.57 0.15 0.00 -0.11 0.00 0.00 41.96 40.35 1wj2 s TYR 459 CO 0.01 0.30 0.27 -1.21 -1.11 0.00 0.00 175.55 173.81 1wj2 s GLU 460 N -1.29 1.05 0.00 -0.62 2.02 0.14 -4.99 118.70 115.00 1wj2 s GLU 460 Ca 0.15 -1.89 0.00 0.00 0.02 0.00 0.00 54.97 53.25 1wj2 s GLU 460 Cb -0.11 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.23 1wj2 s GLU 460 CO 0.05 -1.23 0.00 0.41 0.02 0.00 0.00 175.26 174.52 1wj2 n GLY 461 N 3.47 3.09 3.68 -1.39 0.00 -1.26 -3.06 105.19 109.72 1wj2 n GLY 461 Ca 0.15 -1.96 -0.28 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.45 2.47 0.26 1.61 3.01 -1.26 -4.95 119.74 118.43 1wj2 s LYS 462 Ca 0.00 -1.00 -0.18 0.00 -1.01 0.00 0.00 55.97 53.78 1wj2 s LYS 462 Cb 0.00 -2.44 -0.09 0.00 -1.01 0.00 0.00 37.83 34.30 1wj2 s LYS 462 CO 0.00 0.49 0.74 -1.01 0.51 0.00 0.00 175.35 176.08 1wj2 s HIS 463 N -1.56 3.55 -0.13 3.18 3.76 -1.26 -4.86 115.29 117.96 1wj2 s HIS 463 Ca 0.27 1.34 0.16 0.00 -0.15 0.00 0.00 55.06 56.69 1wj2 s HIS 463 Cb -0.10 -2.60 0.42 0.00 1.11 0.00 0.00 32.58 31.41 1wj2 s HIS 463 CO 0.19 0.24 1.20 0.09 -0.85 0.00 0.00 174.74 175.61 1wj2 n ASN 464 N 0.33 1.45 -3.81 1.40 3.02 -1.26 -5.04 115.26 111.36 1wj2 n ASN 464 Ca -0.00 -3.22 -0.13 0.00 -0.03 0.00 0.00 54.58 51.20 1wj2 n ASN 464 Cb 0.52 -0.45 -0.12 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 -2.07 -0.20 1.06 3.10 -3.43 -1.26 -4.97 115.29 107.52 1wj2 s HIS 465 Ca 0.37 0.48 -0.13 0.00 -0.80 0.00 0.00 55.06 54.98 1wj2 s HIS 465 Cb 0.38 0.06 0.19 0.00 -1.43 0.00 0.00 32.58 31.78 1wj2 s HIS 465 CO -0.11 -0.10 0.85 -0.25 -2.00 0.00 0.00 174.74 173.14 1wj2 n ASP 466 N 3.07 -1.20 -4.62 7.38 8.00 -1.26 -4.88 116.55 123.03 1wj2 n ASP 466 Ca -0.13 0.09 -0.43 0.00 0.71 0.00 0.00 54.79 55.02 1wj2 n ASP 466 Cb 0.58 -1.28 -0.02 0.00 -0.02 0.00 0.00 41.12 40.37 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 -5.53 3.80 1.12 0.64 1.43 -1.26 -5.01 118.68 113.87 1wj2 s LEU 467 Ca 0.65 1.36 -0.18 0.00 -1.03 0.00 0.00 54.13 54.93 1wj2 s LEU 467 Cb -0.22 -3.53 0.26 0.00 0.03 0.00 0.00 46.19 42.72 1wj2 s LEU 467 CO 0.63 -1.30 1.18 -2.16 0.23 0.00 0.00 176.35 174.93 1wj2 s PRO 468 N 4.72 -0.60 0.00 1.29 0.04 -1.26 -5.08 135.00 134.11 1wj2 s PRO 468 Ca 0.67 -0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1wj2 s PRO 468 Cb -0.21 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1wj2 s PRO 468 CO 0.29 -3.28 0.00 0.00 0.04 0.00 0.00 177.00 174.05