#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 0.50 0.16 1.45 -2.07 -1.26 -5.14 119.66 113.29 1wj2 s GLN 400 Ca 0.00 -0.51 0.11 0.00 -1.82 0.00 0.00 55.36 53.14 1wj2 s GLN 400 Cb 0.00 -0.67 -0.04 0.00 -1.09 0.00 0.00 33.01 31.20 1wj2 s GLN 400 CO 0.00 -1.12 -0.25 0.95 -1.32 0.00 0.00 175.29 173.55 1wj2 s THR 401 N 1.87 2.26 0.42 3.63 -4.23 -1.26 -5.15 115.64 113.18 1wj2 s THR 401 Ca 0.13 -1.87 0.03 0.00 -1.18 0.00 0.00 61.69 58.80 1wj2 s THR 401 Cb -0.15 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1wj2 s THR 401 CO -0.17 -0.02 0.60 0.42 -0.54 0.00 0.00 174.62 174.91 1wj2 s THR 402 N -1.37 3.75 -0.62 3.99 -4.23 -1.26 -5.07 115.64 110.83 1wj2 s THR 402 Ca 0.17 -0.75 -0.07 0.00 -1.18 0.00 0.00 61.69 59.86 1wj2 s THR 402 Cb -0.09 -3.34 0.16 0.00 1.34 0.00 0.00 72.50 70.57 1wj2 s THR 402 CO 0.08 -0.19 0.48 -0.44 -0.54 0.00 0.00 174.62 174.01 1wj2 s SER 403 N -4.24 5.73 -0.36 3.99 0.01 -1.26 -5.04 113.70 112.53 1wj2 s SER 403 Ca 0.49 -2.53 -0.27 0.00 1.31 0.00 0.00 55.95 54.95 1wj2 s SER 403 Cb -0.10 -1.98 -0.05 0.00 0.21 0.00 0.00 66.02 64.10 1wj2 s SER 403 CO 0.35 -0.51 2.26 -1.83 0.41 0.00 0.00 173.24 173.92 1wj2 s GLU 404 N 0.43 2.68 -0.29 12.44 -1.05 -1.26 -4.87 118.70 126.78 1wj2 s GLU 404 Ca 0.14 1.66 -0.28 0.00 -0.15 0.00 0.00 54.97 56.34 1wj2 s GLU 404 Cb -0.20 -4.45 -0.06 0.00 -0.44 0.00 0.00 34.13 28.99 1wj2 s GLU 404 CO -0.04 -2.62 2.28 1.33 0.95 0.00 0.00 175.26 177.15 1wj2 n VAL 405 N 7.82 0.23 0.05 1.83 0.24 -1.26 -4.82 118.33 122.43 1wj2 n VAL 405 Ca 0.32 -0.56 -0.12 0.00 -2.04 0.00 0.00 64.34 61.94 1wj2 n VAL 405 Cb 0.50 -2.64 -0.13 0.00 -1.47 0.00 0.00 33.84 30.10 1wj2 n VAL 405 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1wj2 h ASP 406 N 16.32 0.19 -2.03 -1.34 3.32 -2.04 -3.41 116.42 127.42 1wj2 h ASP 406 Ca -0.37 -0.25 -0.63 0.00 0.02 0.00 0.00 57.03 55.80 1wj2 h ASP 406 Cb 1.25 -0.06 -0.13 0.00 0.22 0.00 0.00 39.33 40.60 1wj2 h ASP 406 CO 1.01 1.20 1.02 -0.22 -1.72 0.00 0.00 179.24 180.53 1wj2 s LEU 407 N -6.76 4.21 -0.10 1.55 1.98 -1.26 -5.00 118.68 113.30 1wj2 s LEU 407 Ca -0.04 -1.47 -0.23 0.00 -2.89 0.00 0.00 54.13 49.50 1wj2 s LEU 407 Cb 0.08 -2.48 -0.03 0.00 0.66 0.00 0.00 46.19 44.42 1wj2 s LEU 407 CO 0.84 -1.37 0.70 -0.76 -1.89 0.00 0.00 176.35 173.88 1wj2 s LEU 408 N 4.03 4.27 -0.41 -0.68 1.43 -1.26 -4.98 118.68 121.08 1wj2 s LEU 408 Ca 0.35 1.12 -0.27 0.00 -1.03 0.00 0.00 54.13 54.30 1wj2 s LEU 408 Cb -0.06 -3.07 -0.07 0.00 0.03 0.00 0.00 46.19 43.03 1wj2 s LEU 408 CO -0.03 -0.18 2.36 -0.67 0.23 0.00 0.00 176.35 178.06 1wj2 n ASP 409 N 4.21 2.58 -2.88 2.29 -0.08 -1.26 -4.80 116.55 116.61 1wj2 n ASP 409 Ca -0.01 -0.27 -0.01 0.00 -1.51 0.00 0.00 54.79 53.00 1wj2 n ASP 409 Cb 0.51 -1.56 0.01 0.00 2.34 0.00 0.00 41.12 42.41 1wj2 n ASP 409 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1wj2 s ASP 410 N 10.95 -0.92 0.00 1.67 1.11 -1.26 -5.06 116.67 123.16 1wj2 s ASP 410 Ca 1.00 -0.72 0.00 0.00 0.18 0.00 0.00 52.55 53.01 1wj2 s ASP 410 Cb -0.25 1.19 0.00 0.00 1.07 0.00 0.00 42.92 44.93 1wj2 s ASP 410 CO 0.30 -0.07 0.00 0.61 1.18 0.00 0.00 175.17 177.18 1wj2 n GLY 411 N 3.53 0.51 3.34 0.21 0.00 -1.26 -5.11 105.19 106.41 1wj2 n GLY 411 Ca 0.11 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 1.68 -0.93 1.61 2.02 -1.26 -3.98 117.35 116.48 1wj2 s TYR 412 Ca 0.00 -0.64 -0.24 0.00 -0.37 0.00 0.00 57.07 55.82 1wj2 s TYR 412 Cb 0.00 -0.83 0.04 0.00 -0.40 0.00 0.00 41.96 40.78 1wj2 s TYR 412 CO 0.00 0.29 1.40 0.50 -1.57 0.00 0.00 175.55 176.16 1wj2 s ARG 413 N -3.68 3.47 0.21 -0.62 3.52 -1.26 -4.99 118.95 115.60 1wj2 s ARG 413 Ca 0.23 -0.85 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 1wj2 s ARG 413 Cb 0.01 -5.00 -0.04 0.00 -1.56 0.00 0.00 34.95 28.36 1wj2 s ARG 413 CO 0.07 -2.19 0.39 -1.58 -0.81 0.00 0.00 175.30 171.18 1wj2 s TRP 414 N 5.21 3.48 -0.03 5.12 0.52 -1.26 -1.99 118.94 129.99 1wj2 s TRP 414 Ca 0.43 0.28 -0.01 0.00 0.02 0.00 0.00 56.10 56.82 1wj2 s TRP 414 Cb -0.02 -1.81 0.03 0.00 -1.15 0.00 0.00 33.47 30.52 1wj2 s TRP 414 CO -0.02 0.38 0.04 0.50 0.02 0.00 0.00 176.95 177.87 1wj2 s ARG 415 N -3.46 -0.05 0.03 4.98 6.06 -0.73 -4.88 118.95 120.90 1wj2 s ARG 415 Ca 0.38 0.25 -0.30 0.00 -2.50 0.00 0.00 55.73 53.55 1wj2 s ARG 415 Cb -0.11 -0.32 -0.05 0.00 0.06 0.00 0.00 34.95 34.53 1wj2 s ARG 415 CO 0.30 -0.21 1.26 0.21 -2.50 0.00 0.00 175.30 174.35 1wj2 s LYS 416 N 1.38 4.37 -0.03 5.12 2.20 -1.26 -2.35 119.74 129.18 1wj2 s LYS 416 Ca -0.05 1.82 0.00 0.00 -0.36 0.00 0.00 55.97 57.38 1wj2 s LYS 416 Cb -0.13 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.74 1wj2 s LYS 416 CO -0.03 -0.39 -0.02 2.48 -0.36 0.00 0.00 175.35 177.03 1wj2 n TYR 417 N 4.54 0.00 -4.39 4.03 0.18 -1.15 -5.02 117.16 115.35 1wj2 n TYR 417 Ca 0.11 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.68 1wj2 n TYR 417 Cb 0.45 -0.11 -0.09 0.00 -0.38 0.00 0.00 39.34 39.21 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 -4.16 2.14 -0.29 -7.48 0.00 -1.26 -5.08 107.32 91.19 1wj2 s GLY 418 Ca -0.04 -1.70 -0.23 0.00 0.00 0.00 0.00 44.72 42.76 1wj2 s GLY 418 CO 0.07 -1.68 1.24 -0.86 0.00 0.00 0.00 173.10 171.87 1wj2 s GLN 419 N -3.83 0.23 -0.01 2.90 -2.07 -1.26 -2.70 119.66 112.91 1wj2 s GLN 419 Ca 0.33 0.30 0.02 0.00 -1.82 0.00 0.00 55.36 54.20 1wj2 s GLN 419 Cb 0.05 0.10 0.00 0.00 -1.09 0.00 0.00 33.01 32.07 1wj2 s GLN 419 CO 0.16 -0.03 -0.07 -1.59 -1.32 0.00 0.00 175.29 172.44 1wj2 s LYS 420 N 0.39 0.67 0.08 9.60 0.00 -1.20 -5.04 119.74 124.23 1wj2 s LYS 420 Ca 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 55.97 55.74 1wj2 s LYS 420 Cb -0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 37.83 37.09 1wj2 s LYS 420 CO -0.12 0.11 0.25 0.54 0.00 0.00 0.00 175.35 176.13 1wj2 s VAL 421 N 0.05 5.34 0.05 1.79 0.11 -1.26 -1.66 120.40 124.82 1wj2 s VAL 421 Ca -0.00 -0.31 0.03 0.00 -2.93 0.00 0.00 61.98 58.77 1wj2 s VAL 421 Cb -0.05 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.12 1wj2 s VAL 421 CO -0.00 0.11 0.02 -0.69 -3.33 0.00 0.00 175.10 171.21 1wj2 s VAL 422 N -1.55 4.21 -0.48 2.04 1.01 -1.26 -4.96 120.40 119.41 1wj2 s VAL 422 Ca 0.36 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 1wj2 s VAL 422 Cb -0.13 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.31 1wj2 s VAL 422 CO 0.27 0.21 1.09 -0.75 0.00 0.00 0.00 175.10 175.93 1wj2 s LYS 423 N -2.06 3.66 0.00 2.72 2.47 -1.26 -3.86 119.74 121.42 1wj2 s LYS 423 Ca 0.24 0.45 0.00 0.00 -1.56 0.00 0.00 55.97 55.10 1wj2 s LYS 423 Cb -0.12 -3.92 0.00 0.00 -1.46 0.00 0.00 37.83 32.33 1wj2 s LYS 423 CO 0.16 -1.36 0.00 0.41 0.16 0.00 0.00 175.35 174.72 1wj2 n GLY 424 N 4.89 3.19 3.68 5.54 0.00 -1.26 -5.05 105.19 116.18 1wj2 n GLY 424 Ca 0.10 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 6.71 0.53 1.61 0.02 -1.25 -4.89 114.94 117.66 1wj2 s ASN 425 Ca 0.00 2.25 0.32 0.00 -1.02 0.00 0.00 52.86 54.41 1wj2 s ASN 425 Cb 0.00 -2.55 1.25 0.00 0.02 0.00 0.00 41.25 39.97 1wj2 s ASN 425 CO 0.00 -0.85 1.94 1.55 0.02 0.00 0.00 177.10 179.75 1wj2 h PRO 426 N 8.70 0.00 -4.51 -0.60 0.13 -1.97 -3.41 132.00 130.35 1wj2 h PRO 426 Ca -0.39 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.02 1wj2 h PRO 426 Cb 1.18 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.10 1wj2 h PRO 426 CO 0.93 0.00 -0.03 0.71 -0.23 0.00 0.00 178.00 179.39 1wj2 s TYR 427 N -3.60 3.10 0.71 1.56 2.02 -1.26 -5.06 117.35 114.81 1wj2 s TYR 427 Ca 0.02 -1.01 -0.13 0.00 -0.37 0.00 0.00 57.07 55.57 1wj2 s TYR 427 Cb 0.09 -3.83 0.03 0.00 -0.40 0.00 0.00 41.96 37.84 1wj2 s TYR 427 CO 0.55 -1.15 1.12 -1.25 -1.57 0.00 0.00 175.55 173.25 1wj2 s PRO 428 N 2.27 2.48 0.31 -1.71 0.04 -1.26 -4.79 135.00 132.33 1wj2 s PRO 428 Ca 0.09 1.37 -0.16 0.00 0.04 0.00 0.00 61.00 62.34 1wj2 s PRO 428 Cb -0.25 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 1wj2 s PRO 428 CO 0.06 -1.50 0.74 1.03 0.04 0.00 0.00 177.00 177.37 1wj2 s ARG 429 N -4.34 4.04 0.05 4.56 0.52 -0.67 -4.76 118.95 118.35 1wj2 s ARG 429 Ca 0.66 0.71 0.03 0.00 -0.52 0.00 0.00 55.73 56.61 1wj2 s ARG 429 Cb -0.20 -2.49 -0.02 0.00 0.52 0.00 0.00 34.95 32.75 1wj2 s ARG 429 CO 0.47 0.19 -0.10 -1.12 0.02 0.00 0.00 175.30 174.76 1wj2 s SER 430 N -2.18 1.10 -0.06 0.23 0.01 -1.11 -3.26 113.70 108.42 1wj2 s SER 430 Ca 0.53 -0.53 0.03 0.00 1.31 0.00 0.00 55.95 57.28 1wj2 s SER 430 Cb -0.11 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.12 1wj2 s SER 430 CO 0.18 -0.14 -0.15 -0.31 0.41 0.00 0.00 173.24 173.23 1wj2 s TYR 431 N -1.24 1.59 0.22 2.43 2.02 -1.10 -1.92 117.35 119.35 1wj2 s TYR 431 Ca -0.07 -0.54 0.01 0.00 -0.37 0.00 0.00 57.07 56.10 1wj2 s TYR 431 Cb -0.09 -1.12 -0.05 0.00 -0.40 0.00 0.00 41.96 40.30 1wj2 s TYR 431 CO 0.01 -0.24 0.08 0.71 -1.57 0.00 0.00 175.55 174.53 1wj2 s TYR 432 N 0.40 1.35 -0.24 2.71 1.51 -1.02 -2.95 117.35 119.11 1wj2 s TYR 432 Ca -0.11 -1.18 -0.15 0.00 -1.01 0.00 0.00 57.07 54.63 1wj2 s TYR 432 Cb -0.14 -0.77 0.07 0.00 -0.11 0.00 0.00 41.96 41.01 1wj2 s TYR 432 CO 0.03 -0.37 0.60 -1.59 -1.11 0.00 0.00 175.55 173.12 1wj2 s LYS 433 N -4.03 0.62 -0.62 -0.62 -2.85 -0.99 -0.94 119.74 110.32 1wj2 s LYS 433 Ca 0.34 1.04 -0.26 0.00 -1.00 0.00 0.00 55.97 56.09 1wj2 s LYS 433 Cb 0.07 0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.93 1wj2 s LYS 433 CO 0.10 -0.14 2.01 0.00 0.10 0.00 0.00 175.35 177.42 1wj2 n THR 435 N 7.50 5.15 -3.75 0.00 5.66 -0.84 -2.49 114.28 125.51 1wj2 n THR 435 Ca 0.27 -5.77 -0.20 0.00 -3.05 0.00 0.00 64.05 55.30 1wj2 n THR 435 Cb 0.52 -2.19 -0.01 0.00 -1.55 0.00 0.00 70.33 67.09 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 -2.35 4.71 -0.84 1.09 2.01 -0.99 -4.97 115.64 114.30 1wj2 s THR 436 Ca 0.31 -1.00 -0.22 0.00 0.31 0.00 0.00 61.69 61.10 1wj2 s THR 436 Cb 0.02 -3.65 -0.19 0.00 0.01 0.00 0.00 72.50 68.69 1wj2 s THR 436 CO 0.07 -0.25 2.20 -2.65 -0.69 0.00 0.00 174.62 173.29 1wj2 n PRO 437 N -1.51 0.31 0.00 4.92 -0.02 -1.26 -0.81 135.00 136.63 1wj2 n PRO 437 Ca -0.05 -0.87 0.00 0.00 -2.02 0.00 0.00 63.50 60.56 1wj2 n PRO 437 Cb 0.57 -3.13 0.00 0.00 -0.02 0.00 0.00 33.50 30.92 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 6.27 2.03 3.77 -1.23 0.00 -1.26 -5.07 105.19 109.70 1wj2 n GLY 438 Ca 0.45 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.09 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 2.37 3.88 3.88 0.00 0.00 -1.25 -2.34 105.19 111.73 1wj2 n GLY 440 Ca -0.08 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.88 4.89 0.05 1.61 1.01 -1.04 -4.92 120.40 119.12 1wj2 s VAL 441 Ca 0.41 0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.89 1wj2 s VAL 441 Cb 0.34 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1wj2 s VAL 441 CO -0.08 -0.28 -0.15 -0.13 0.00 0.00 0.00 175.10 174.46 1wj2 s ARG 442 N -3.32 0.91 0.09 2.72 0.52 -1.03 0.68 118.95 119.52 1wj2 s ARG 442 Ca 0.48 -0.86 -0.06 0.00 -0.52 0.00 0.00 55.73 54.78 1wj2 s ARG 442 Cb -0.11 -0.94 -0.02 0.00 0.52 0.00 0.00 34.95 34.41 1wj2 s ARG 442 CO 0.26 0.22 0.12 -1.59 0.02 0.00 0.00 175.30 174.33 1wj2 s LYS 443 N -1.41 0.82 -0.10 3.54 -2.85 -0.12 -0.58 119.74 119.05 1wj2 s LYS 443 Ca 0.01 -1.12 -0.01 0.00 -1.00 0.00 0.00 55.97 53.85 1wj2 s LYS 443 Cb -0.09 0.30 0.03 0.00 -2.06 0.00 0.00 37.83 36.01 1wj2 s LYS 443 CO 0.02 -0.24 -0.05 -1.01 0.10 0.00 0.00 175.35 174.17 1wj2 s HIS 444 N -3.91 1.23 -0.21 1.78 3.76 -0.86 -2.44 115.29 114.64 1wj2 s HIS 444 Ca 0.09 -0.57 -0.14 0.00 -0.15 0.00 0.00 55.06 54.29 1wj2 s HIS 444 Cb 0.06 -1.10 -0.04 0.00 1.11 0.00 0.00 32.58 32.61 1wj2 s HIS 444 CO -0.08 -0.46 0.32 0.08 -0.85 0.00 0.00 174.74 173.75 1wj2 s VAL 445 N 1.79 5.26 -0.07 -0.90 1.01 -0.81 -2.43 120.40 124.25 1wj2 s VAL 445 Ca 0.05 0.54 -0.02 0.00 0.00 0.00 0.00 61.98 62.55 1wj2 s VAL 445 Cb -0.13 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.63 1wj2 s VAL 445 CO -0.07 0.29 0.03 -0.70 0.00 0.00 0.00 175.10 174.65 1wj2 s GLU 446 N 1.14 0.36 -0.44 2.72 2.12 -0.59 -2.76 118.70 121.24 1wj2 s GLU 446 Ca 0.16 0.17 -0.11 0.00 0.36 0.00 0.00 54.97 55.55 1wj2 s GLU 446 Cb -0.14 -0.89 0.08 0.00 0.26 0.00 0.00 34.13 33.44 1wj2 s GLU 446 CO 0.06 -0.34 0.32 0.50 -0.54 0.00 0.00 175.26 175.26 1wj2 s ARG 447 N 2.04 2.70 0.00 4.30 3.52 -1.26 -1.14 118.95 129.11 1wj2 s ARG 447 Ca 0.05 -1.48 -0.30 0.00 -0.13 0.00 0.00 55.73 53.87 1wj2 s ARG 447 Cb -0.12 -3.91 -0.08 0.00 -1.56 0.00 0.00 34.95 29.28 1wj2 s ARG 447 CO -0.05 -1.02 1.84 0.00 -0.81 0.00 0.00 175.30 175.26 1wj2 s ALA 448 N 1.48 3.60 -0.29 6.12 0.00 0.64 -4.79 121.76 128.52 1wj2 s ALA 448 Ca 0.04 1.18 0.22 0.00 0.00 0.00 0.00 51.96 53.39 1wj2 s ALA 448 Cb -0.24 -3.80 0.10 0.00 0.00 0.00 0.00 23.12 19.18 1wj2 s ALA 448 CO 0.03 -1.49 1.23 0.00 0.00 0.00 0.00 175.76 175.53 1wj2 h ALA 449 N 10.10 0.67 -0.71 0.00 0.00 -1.92 -2.99 119.26 124.41 1wj2 h ALA 449 Ca -0.45 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.53 1wj2 h ALA 449 Cb 1.21 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1wj2 h ALA 449 CO 0.95 0.07 0.25 1.79 0.00 0.00 0.00 179.25 182.31 1wj2 h THR 450 N 0.00 0.66 -3.15 0.00 1.35 -1.96 -3.42 112.91 106.39 1wj2 h THR 450 Ca -0.01 -0.14 -0.47 0.00 -0.55 0.00 0.00 66.41 65.25 1wj2 h THR 450 Cb 1.04 0.23 0.04 0.00 -1.73 0.00 0.00 68.15 67.73 1wj2 h THR 450 CO 0.00 0.07 0.01 -0.62 -0.25 0.00 0.00 175.52 174.74 1wj2 s ASP 451 N -5.33 5.86 0.56 5.36 2.15 -1.26 -4.96 116.67 119.04 1wj2 s ASP 451 Ca -0.13 0.53 0.31 0.00 0.43 0.00 0.00 52.55 53.69 1wj2 s ASP 451 Cb 0.20 -1.73 1.47 0.00 -0.30 0.00 0.00 42.92 42.55 1wj2 s ASP 451 CO 0.76 -0.76 1.85 -0.65 -0.17 0.00 0.00 175.17 176.20 1wj2 h PRO 452 N 0.22 0.00 -0.01 4.34 0.11 -1.89 -3.36 132.00 131.41 1wj2 h PRO 452 Ca -0.46 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1wj2 h PRO 452 Cb 1.24 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.20 1wj2 h PRO 452 CO 0.59 0.00 -0.04 1.63 -0.21 0.00 0.00 178.00 179.97 1wj2 n LYS 453 N -4.04 0.01 -4.02 1.05 5.02 -1.26 -5.09 118.16 109.83 1wj2 n LYS 453 Ca 0.17 -0.52 -0.35 0.00 -2.02 0.00 0.00 58.31 55.59 1wj2 n LYS 453 Cb 0.94 0.45 -0.09 0.00 -0.02 0.00 0.00 35.03 36.30 1wj2 n LYS 453 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wj2 s ALA 454 N 0.94 3.48 -0.06 7.82 0.00 -1.13 -5.03 121.76 127.78 1wj2 s ALA 454 Ca 0.22 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.48 1wj2 s ALA 454 Cb 0.16 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.41 1wj2 s ALA 454 CO -0.12 0.31 -0.12 0.08 0.00 0.00 0.00 175.76 175.91 1wj2 s VAL 455 N -0.03 1.11 -0.01 0.00 1.01 -1.26 -0.26 120.40 120.95 1wj2 s VAL 455 Ca 0.07 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1wj2 s VAL 455 Cb -0.12 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.27 1wj2 s VAL 455 CO 0.01 0.34 0.00 0.54 0.00 0.00 0.00 175.10 176.00 1wj2 s VAL 456 N 0.54 0.06 0.06 2.92 0.11 -0.29 -4.97 120.40 118.83 1wj2 s VAL 456 Ca -0.12 0.06 0.05 0.00 -2.93 0.00 0.00 61.98 59.04 1wj2 s VAL 456 Cb -0.14 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.56 1wj2 s VAL 456 CO 0.03 0.07 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.84 1wj2 s THR 457 N 0.53 1.06 -0.06 5.04 2.01 -1.26 -1.55 115.64 121.42 1wj2 s THR 457 Ca -0.05 -1.22 0.04 0.00 0.31 0.00 0.00 61.69 60.77 1wj2 s THR 457 Cb -0.07 -1.02 0.00 0.00 0.01 0.00 0.00 72.50 71.43 1wj2 s THR 457 CO -0.01 -0.19 -0.17 -0.89 -0.69 0.00 0.00 174.62 172.67 1wj2 s THR 458 N -1.19 1.44 -0.14 -0.82 2.01 -1.02 -4.99 115.64 110.93 1wj2 s THR 458 Ca -0.02 -0.69 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 1wj2 s THR 458 Cb -0.10 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 1wj2 s THR 458 CO 0.02 0.42 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.05 1wj2 s TYR 459 N 0.29 3.09 -0.37 4.92 2.02 -1.26 -2.04 117.35 124.00 1wj2 s TYR 459 Ca -0.10 -0.12 0.02 0.00 -0.37 0.00 0.00 57.07 56.51 1wj2 s TYR 459 Cb -0.14 -1.94 0.11 0.00 -0.40 0.00 0.00 41.96 39.59 1wj2 s TYR 459 CO 0.04 0.11 0.12 -1.21 -1.57 0.00 0.00 175.55 173.04 1wj2 s GLU 460 N 0.08 1.26 0.00 -0.62 2.02 0.26 -5.02 118.70 116.68 1wj2 s GLU 460 Ca 0.01 -1.73 0.00 0.00 0.02 0.00 0.00 54.97 53.27 1wj2 s GLU 460 Cb -0.13 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.42 1wj2 s GLU 460 CO 0.02 -1.01 0.00 0.41 0.02 0.00 0.00 175.26 174.70 1wj2 n GLY 461 N 4.19 0.79 3.19 -1.39 0.00 -1.26 -2.46 105.19 108.25 1wj2 n GLY 461 Ca 0.03 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.18 0.35 0.21 1.61 3.01 -1.26 -5.04 119.74 117.44 1wj2 s LYS 462 Ca 0.00 0.46 -0.26 0.00 -1.01 0.00 0.00 55.97 55.16 1wj2 s LYS 462 Cb 0.00 0.14 -0.08 0.00 -1.01 0.00 0.00 37.83 36.87 1wj2 s LYS 462 CO 0.00 -0.06 0.83 -1.01 0.51 0.00 0.00 175.35 175.62 1wj2 s HIS 463 N 0.34 3.88 -0.18 3.18 3.76 -1.26 -4.82 115.29 120.18 1wj2 s HIS 463 Ca -0.01 1.70 0.13 0.00 -0.15 0.00 0.00 55.06 56.73 1wj2 s HIS 463 Cb -0.03 -2.82 0.43 0.00 1.11 0.00 0.00 32.58 31.26 1wj2 s HIS 463 CO -0.01 0.45 1.21 0.27 -0.85 0.00 0.00 174.74 175.80 1wj2 n ASN 464 N 1.36 1.89 -3.87 1.40 6.94 -1.26 -5.04 115.26 116.68 1wj2 n ASN 464 Ca -0.04 -3.54 -0.09 0.00 -0.02 0.00 0.00 54.58 50.89 1wj2 n ASN 464 Cb 0.49 -0.47 -0.08 0.00 -2.36 0.00 0.00 39.78 37.35 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 -2.76 0.14 1.41 -2.53 -3.43 -1.26 -5.03 115.29 101.83 1wj2 s HIS 465 Ca 0.38 -0.48 -0.22 0.00 -0.80 0.00 0.00 55.06 53.94 1wj2 s HIS 465 Cb 0.38 -0.07 0.36 0.00 -1.43 0.00 0.00 32.58 31.82 1wj2 s HIS 465 CO -0.08 -0.48 0.88 -0.25 -2.00 0.00 0.00 174.74 172.82 1wj2 n ASP 466 N 0.29 -3.67 -4.41 7.38 8.00 -1.26 -4.96 116.55 117.92 1wj2 n ASP 466 Ca -0.17 -0.72 -0.44 0.00 0.71 0.00 0.00 54.79 54.18 1wj2 n ASP 466 Cb 0.61 -1.05 -0.08 0.00 -0.02 0.00 0.00 41.12 40.57 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 -7.57 5.46 0.00 0.64 1.02 -1.26 -5.08 118.68 111.89 1wj2 s LEU 467 Ca 0.67 -1.19 -0.08 0.00 0.02 0.00 0.00 54.13 53.55 1wj2 s LEU 467 Cb -0.15 -2.18 0.13 0.00 0.02 0.00 0.00 46.19 44.01 1wj2 s LEU 467 CO 0.58 -0.58 0.29 -2.65 0.02 0.00 0.00 176.35 174.00 1wj2 n PRO 468 N 5.19 -1.55 0.00 1.29 -0.02 -1.26 -5.10 135.00 133.55 1wj2 n PRO 468 Ca -0.12 -0.48 0.00 0.00 -2.02 0.00 0.00 63.50 60.88 1wj2 n PRO 468 Cb 0.45 -0.81 0.00 0.00 -0.02 0.00 0.00 33.50 33.12 1wj2 n PRO 468 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48