#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 2.56 -0.34 5.55 -1.52 -1.26 -5.11 119.66 119.55 1wj2 s GLN 400 Ca 0.00 -1.08 0.02 0.00 -1.95 0.00 0.00 55.36 52.35 1wj2 s GLN 400 Cb 0.00 -2.42 0.15 0.00 -0.22 0.00 0.00 33.01 30.52 1wj2 s GLN 400 CO 0.00 0.45 0.36 0.95 -0.25 0.00 0.00 175.29 176.80 1wj2 s THR 401 N -1.84 -0.42 -0.45 -0.19 -4.23 -1.26 -5.09 115.64 102.17 1wj2 s THR 401 Ca 0.29 -0.71 0.03 0.00 -1.18 0.00 0.00 61.69 60.11 1wj2 s THR 401 Cb -0.09 -0.79 0.13 0.00 1.34 0.00 0.00 72.50 73.09 1wj2 s THR 401 CO 0.20 -0.49 0.22 0.42 -0.54 0.00 0.00 174.62 174.44 1wj2 s THR 402 N 1.88 1.75 -0.48 3.99 -4.23 -1.26 -4.95 115.64 112.33 1wj2 s THR 402 Ca 0.14 -2.67 0.03 0.00 -1.18 0.00 0.00 61.69 58.00 1wj2 s THR 402 Cb -0.14 -2.23 0.63 0.00 1.34 0.00 0.00 72.50 72.10 1wj2 s THR 402 CO -0.16 -0.84 1.94 -1.54 -0.54 0.00 0.00 174.62 173.48 1wj2 n SER 403 N 3.56 4.37 -4.53 3.99 3.41 -1.26 -4.91 113.62 118.24 1wj2 n SER 403 Ca 0.06 -3.64 -0.41 0.00 -0.26 0.00 0.00 58.87 54.62 1wj2 n SER 403 Cb 0.35 -0.86 -0.03 0.00 -0.26 0.00 0.00 64.21 63.40 1wj2 n SER 403 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1wj2 s GLU 404 N -3.38 3.18 -0.77 4.33 0.41 -1.26 -4.92 118.70 116.29 1wj2 s GLU 404 Ca 0.58 -0.35 -0.19 0.00 -0.41 0.00 0.00 54.97 54.60 1wj2 s GLU 404 Cb 0.48 -4.19 -0.14 0.00 -1.78 0.00 0.00 34.13 28.51 1wj2 s GLU 404 CO 0.09 -2.08 1.94 0.28 -0.49 0.00 0.00 175.26 175.00 1wj2 n VAL 405 N 6.30 1.87 -0.07 2.63 0.31 -1.26 -4.22 118.33 123.89 1wj2 n VAL 405 Ca 0.02 -1.52 -0.08 0.00 -0.01 0.00 0.00 64.34 62.75 1wj2 n VAL 405 Cb 0.48 -2.28 -0.10 0.00 -0.91 0.00 0.00 33.84 31.04 1wj2 n VAL 405 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1wj2 n ASP 406 N 6.92 1.94 -4.59 4.52 8.00 -1.26 -4.93 116.55 127.15 1wj2 n ASP 406 Ca 0.48 -0.02 -0.41 0.00 0.71 0.00 0.00 54.79 55.56 1wj2 n ASP 406 Cb 0.35 0.61 -0.07 0.00 -0.02 0.00 0.00 41.12 41.99 1wj2 n ASP 406 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wj2 s LEU 407 N -5.17 4.17 -0.80 0.64 1.02 -1.26 -5.02 118.68 112.27 1wj2 s LEU 407 Ca -0.10 0.31 -0.22 0.00 0.02 0.00 0.00 54.13 54.14 1wj2 s LEU 407 Cb 0.04 -2.67 0.08 0.00 0.02 0.00 0.00 46.19 43.66 1wj2 s LEU 407 CO 0.51 -0.40 1.13 -0.76 0.02 0.00 0.00 176.35 176.85 1wj2 s LEU 408 N 2.42 4.24 -0.13 1.79 1.02 -1.26 -4.98 118.68 121.78 1wj2 s LEU 408 Ca 0.21 -1.25 -0.29 0.00 0.02 0.00 0.00 54.13 52.82 1wj2 s LEU 408 Cb -0.15 -2.46 -0.07 0.00 0.02 0.00 0.00 46.19 43.53 1wj2 s LEU 408 CO 0.11 -1.41 2.14 -0.67 0.02 0.00 0.00 176.35 176.54 1wj2 n ASP 409 N 7.84 3.57 0.00 2.29 2.03 -1.26 -4.76 116.55 126.26 1wj2 n ASP 409 Ca 0.10 0.45 0.00 0.00 0.52 0.00 0.00 54.79 55.86 1wj2 n ASP 409 Cb 0.48 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 1wj2 n ASP 409 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1wj2 n ASP 410 N 10.20 1.77 0.03 1.67 2.03 -1.26 -5.05 116.55 125.93 1wj2 n ASP 410 Ca 0.27 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.58 1wj2 n ASP 410 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 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 2.87 -0.20 3.98 0.27 0.00 -1.26 -5.03 105.19 105.81 1wj2 n GLY 411 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.19 2.12 -0.29 1.61 2.02 -1.26 -4.39 117.35 115.98 1wj2 s TYR 412 Ca 0.00 -0.08 0.03 0.00 -0.37 0.00 0.00 57.07 56.65 1wj2 s TYR 412 Cb 0.00 -3.00 0.08 0.00 -0.40 0.00 0.00 41.96 38.64 1wj2 s TYR 412 CO 0.00 -1.47 -0.04 1.03 -1.57 0.00 0.00 175.55 173.50 1wj2 s ARG 413 N -5.08 1.88 0.23 -0.62 0.52 -1.26 -4.87 118.95 109.74 1wj2 s ARG 413 Ca 0.63 -1.52 0.06 0.00 -0.52 0.00 0.00 55.73 54.38 1wj2 s ARG 413 Cb -0.07 -2.98 -0.03 0.00 0.52 0.00 0.00 34.95 32.39 1wj2 s ARG 413 CO 0.43 -0.72 0.24 -1.58 0.02 0.00 0.00 175.30 173.69 1wj2 s TRP 414 N 1.05 3.23 0.01 -0.53 0.52 -1.26 -2.14 118.94 119.82 1wj2 s TRP 414 Ca -0.01 -0.06 -0.02 0.00 0.02 0.00 0.00 56.10 56.03 1wj2 s TRP 414 Cb -0.19 -1.48 -0.01 0.00 -1.15 0.00 0.00 33.47 30.64 1wj2 s TRP 414 CO -0.07 0.50 0.03 1.03 0.02 0.00 0.00 176.95 178.46 1wj2 s ARG 415 N -3.74 0.29 0.15 4.98 1.81 0.36 -4.86 118.95 117.94 1wj2 s ARG 415 Ca 0.33 -0.40 -0.22 0.00 -1.72 0.00 0.00 55.73 53.73 1wj2 s ARG 415 Cb -0.09 0.11 -0.08 0.00 -0.45 0.00 0.00 34.95 34.45 1wj2 s ARG 415 CO 0.26 -0.05 0.69 0.21 -0.68 0.00 0.00 175.30 175.73 1wj2 s LYS 416 N -1.08 4.35 0.00 3.54 2.20 -1.26 -1.81 119.74 125.68 1wj2 s LYS 416 Ca -0.12 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 56.42 1wj2 s LYS 416 Cb -0.07 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 1wj2 s LYS 416 CO -0.00 0.54 0.00 2.48 -0.36 0.00 0.00 175.35 178.01 1wj2 n TYR 417 N 1.37 0.00 -4.15 4.03 4.11 -1.26 -5.03 117.16 116.24 1wj2 n TYR 417 Ca -0.06 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.69 1wj2 n TYR 417 Cb 0.50 0.12 -0.06 0.00 -0.00 0.00 0.00 39.34 39.89 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 -4.52 1.57 -0.02 -7.48 0.00 -1.26 -5.13 107.32 90.48 1wj2 s GLY 418 Ca 0.00 -1.61 -0.03 0.00 0.00 0.00 0.00 44.72 43.08 1wj2 s GLY 418 CO 0.00 -1.15 0.06 -0.86 0.00 0.00 0.00 173.10 171.15 1wj2 s GLN 419 N -3.50 0.15 0.40 2.90 1.03 -1.26 -3.27 119.66 116.11 1wj2 s GLN 419 Ca 0.34 -0.06 0.08 0.00 0.04 0.00 0.00 55.36 55.76 1wj2 s GLN 419 Cb 0.02 0.07 -0.05 0.00 0.03 0.00 0.00 33.01 33.08 1wj2 s GLN 419 CO 0.19 -0.03 0.20 0.15 -2.54 0.00 0.00 175.29 173.27 1wj2 s LYS 420 N -0.32 2.28 0.05 9.60 -0.14 -1.05 -5.03 119.74 125.12 1wj2 s LYS 420 Ca -0.04 -1.76 0.05 0.00 -1.36 0.00 0.00 55.97 52.86 1wj2 s LYS 420 Cb -0.03 -2.06 -0.02 0.00 -1.68 0.00 0.00 37.83 34.04 1wj2 s LYS 420 CO 0.00 -0.10 -0.14 0.54 -0.76 0.00 0.00 175.35 174.89 1wj2 s VAL 421 N -2.56 1.14 -0.16 3.17 0.11 -1.26 -2.67 120.40 118.17 1wj2 s VAL 421 Ca 0.42 -1.07 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 1wj2 s VAL 421 Cb 0.02 -1.04 0.03 0.00 -1.53 0.00 0.00 36.38 33.86 1wj2 s VAL 421 CO 0.23 -0.03 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.17 1wj2 s VAL 422 N -0.93 1.47 -0.16 2.04 1.01 -1.26 -5.00 120.40 117.57 1wj2 s VAL 422 Ca 0.01 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.99 1wj2 s VAL 422 Cb -0.08 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1wj2 s VAL 422 CO 0.01 0.32 1.80 -0.54 0.00 0.00 0.00 175.10 176.70 1wj2 s LYS 423 N 1.50 3.75 0.00 2.72 1.02 -1.26 -2.85 119.74 124.62 1wj2 s LYS 423 Ca 0.03 1.95 0.00 0.00 0.02 0.00 0.00 55.97 57.96 1wj2 s LYS 423 Cb -0.14 -4.12 0.00 0.00 -0.52 0.00 0.00 37.83 33.05 1wj2 s LYS 423 CO -0.09 -1.36 0.00 0.41 -0.92 0.00 0.00 175.35 173.38 1wj2 n GLY 424 N 4.82 3.46 3.71 -3.33 0.00 -1.26 -5.08 105.19 107.52 1wj2 n GLY 424 Ca 0.21 -1.01 -0.41 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 7.20 0.27 1.61 0.02 -1.13 -4.96 114.94 117.95 1wj2 s ASN 425 Ca 0.00 1.45 0.11 0.00 -1.02 0.00 0.00 52.86 53.40 1wj2 s ASN 425 Cb 0.00 -2.50 0.33 0.00 0.02 0.00 0.00 41.25 39.10 1wj2 s ASN 425 CO 0.00 -0.18 1.59 1.55 0.02 0.00 0.00 177.10 180.08 1wj2 h PRO 426 N 6.71 0.00 -6.21 -0.60 0.13 -1.95 -3.44 132.00 126.64 1wj2 h PRO 426 Ca -0.41 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.16 1wj2 h PRO 426 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1wj2 h PRO 426 CO 0.75 0.63 0.77 0.71 -0.23 0.00 0.00 178.00 180.63 1wj2 s TYR 427 N -3.51 3.12 0.84 1.56 2.02 -1.26 -5.02 117.35 115.10 1wj2 s TYR 427 Ca -0.01 1.22 -0.11 0.00 -0.37 0.00 0.00 57.07 57.80 1wj2 s TYR 427 Cb 0.12 -3.40 0.10 0.00 -0.40 0.00 0.00 41.96 38.38 1wj2 s TYR 427 CO 0.76 -1.20 1.09 -1.25 -1.57 0.00 0.00 175.55 173.38 1wj2 s PRO 428 N 2.81 1.70 -0.26 -1.71 0.04 -1.26 -4.80 135.00 131.52 1wj2 s PRO 428 Ca 0.53 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 1wj2 s PRO 428 Cb -0.21 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1wj2 s PRO 428 CO 0.16 -1.98 0.20 1.03 0.04 0.00 0.00 177.00 176.45 1wj2 s ARG 429 N -4.92 4.02 -0.18 4.56 0.52 -1.09 -4.69 118.95 117.18 1wj2 s ARG 429 Ca 0.62 -0.25 -0.05 0.00 -0.52 0.00 0.00 55.73 55.54 1wj2 s ARG 429 Cb -0.18 -3.60 -0.03 0.00 0.52 0.00 0.00 34.95 31.67 1wj2 s ARG 429 CO 0.57 -0.06 0.01 -1.12 0.02 0.00 0.00 175.30 174.71 1wj2 s SER 430 N 1.37 5.03 -0.01 0.23 0.01 -0.96 -2.54 113.70 116.84 1wj2 s SER 430 Ca 0.08 -0.11 -0.01 0.00 1.31 0.00 0.00 55.95 57.22 1wj2 s SER 430 Cb -0.15 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 1wj2 s SER 430 CO 0.08 0.12 0.11 -0.31 0.41 0.00 0.00 173.24 173.64 1wj2 s TYR 431 N 0.69 3.36 0.20 2.43 2.02 -1.20 -1.69 117.35 123.15 1wj2 s TYR 431 Ca 0.00 0.26 -0.02 0.00 -0.37 0.00 0.00 57.07 56.94 1wj2 s TYR 431 Cb -0.14 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 1wj2 s TYR 431 CO 0.02 0.58 0.15 0.71 -1.57 0.00 0.00 175.55 175.44 1wj2 s TYR 432 N -1.21 1.06 -0.28 2.71 2.02 -0.94 -4.08 117.35 116.62 1wj2 s TYR 432 Ca 0.23 -1.31 -0.19 0.00 -0.37 0.00 0.00 57.07 55.44 1wj2 s TYR 432 Cb -0.12 -0.49 0.10 0.00 -0.40 0.00 0.00 41.96 41.05 1wj2 s TYR 432 CO 0.14 -0.66 0.81 -1.59 -1.57 0.00 0.00 175.55 172.69 1wj2 s LYS 433 N -4.13 0.63 -0.72 -0.62 0.00 -0.75 -1.47 119.74 112.67 1wj2 s LYS 433 Ca 0.36 0.96 -0.26 0.00 0.00 0.00 0.00 55.97 57.03 1wj2 s LYS 433 Cb 0.06 0.19 0.01 0.00 0.00 0.00 0.00 37.83 38.09 1wj2 s LYS 433 CO 0.10 -0.11 1.57 0.00 0.00 0.00 0.00 175.35 176.91 1wj2 n THR 435 N 6.85 4.81 -3.67 0.00 5.66 -0.91 -2.65 114.28 124.37 1wj2 n THR 435 Ca 0.15 -5.14 -0.20 0.00 -3.05 0.00 0.00 64.05 55.81 1wj2 n THR 435 Cb 0.50 -2.24 -0.01 0.00 -1.55 0.00 0.00 70.33 67.03 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 -1.07 4.55 -0.86 1.09 2.01 -0.95 -4.97 115.64 115.43 1wj2 s THR 436 Ca 0.35 -0.99 -0.20 0.00 0.31 0.00 0.00 61.69 61.16 1wj2 s THR 436 Cb 0.06 -3.59 -0.21 0.00 0.01 0.00 0.00 72.50 68.78 1wj2 s THR 436 CO 0.05 -0.23 2.31 -2.65 -0.69 0.00 0.00 174.62 173.41 1wj2 n PRO 437 N -1.55 0.36 0.00 4.92 -0.02 -1.26 -0.70 135.00 136.75 1wj2 n PRO 437 Ca -0.04 -0.58 0.00 0.00 -2.02 0.00 0.00 63.50 60.86 1wj2 n PRO 437 Cb 0.58 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 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 6.34 2.72 3.74 -1.23 0.00 -1.26 -5.00 105.19 110.50 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 2.43 3.67 3.88 0.00 0.00 -1.24 -2.25 105.19 111.68 1wj2 n GLY 440 Ca -0.03 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.32 4.82 -0.06 1.61 1.01 -1.08 -4.90 120.40 119.48 1wj2 s VAL 441 Ca 0.40 0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.87 1wj2 s VAL 441 Cb 0.29 -3.76 0.04 0.00 0.00 0.00 0.00 36.38 32.95 1wj2 s VAL 441 CO -0.09 -0.58 0.10 -0.13 0.00 0.00 0.00 175.10 174.40 1wj2 s ARG 442 N -4.01 -0.03 0.29 2.72 0.52 -0.82 -0.29 118.95 117.32 1wj2 s ARG 442 Ca 0.50 0.44 0.11 0.00 -0.52 0.00 0.00 55.73 56.26 1wj2 s ARG 442 Cb -0.10 -0.39 -0.05 0.00 0.52 0.00 0.00 34.95 34.93 1wj2 s ARG 442 CO 0.34 -0.31 -0.12 -1.59 0.02 0.00 0.00 175.30 173.64 1wj2 s LYS 443 N 2.12 1.90 -0.13 3.54 -2.85 -0.54 -1.79 119.74 121.99 1wj2 s LYS 443 Ca 0.03 -1.68 0.02 0.00 -1.00 0.00 0.00 55.97 53.34 1wj2 s LYS 443 Cb -0.12 -1.89 0.01 0.00 -2.06 0.00 0.00 37.83 33.78 1wj2 s LYS 443 CO -0.04 0.31 -0.17 -1.01 0.10 0.00 0.00 175.35 174.53 1wj2 s HIS 444 N -2.47 2.25 -0.33 1.78 3.76 -0.91 -2.22 115.29 117.15 1wj2 s HIS 444 Ca 0.31 -1.13 -0.09 0.00 -0.15 0.00 0.00 55.06 54.00 1wj2 s HIS 444 Cb -0.04 -1.59 0.02 0.00 1.11 0.00 0.00 32.58 32.07 1wj2 s HIS 444 CO 0.17 -0.56 0.14 0.08 -0.85 0.00 0.00 174.74 173.72 1wj2 s VAL 445 N 1.02 4.29 0.00 -0.90 1.01 -0.68 -1.49 120.40 123.65 1wj2 s VAL 445 Ca -0.04 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1wj2 s VAL 445 Cb -0.15 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1wj2 s VAL 445 CO -0.04 -0.08 -0.08 -0.70 0.00 0.00 0.00 175.10 174.20 1wj2 s GLU 446 N 1.53 0.65 -0.25 2.72 2.12 -0.87 -2.27 118.70 122.33 1wj2 s GLU 446 Ca 0.02 -0.37 -0.08 0.00 0.36 0.00 0.00 54.97 54.90 1wj2 s GLU 446 Cb -0.18 -0.61 -0.04 0.00 0.26 0.00 0.00 34.13 33.56 1wj2 s GLU 446 CO 0.05 0.16 0.10 1.03 -0.54 0.00 0.00 175.26 176.06 1wj2 s ARG 447 N -0.41 3.80 -0.18 4.30 0.52 -1.26 -1.19 118.95 124.52 1wj2 s ARG 447 Ca 0.02 -0.41 -0.29 0.00 -0.52 0.00 0.00 55.73 54.53 1wj2 s ARG 447 Cb -0.04 -3.40 -0.01 0.00 0.52 0.00 0.00 34.95 32.02 1wj2 s ARG 447 CO -0.00 -0.10 1.20 0.00 0.02 0.00 0.00 175.30 176.42 1wj2 s ALA 448 N 1.42 3.67 -0.04 2.13 0.00 0.29 -4.86 121.76 124.36 1wj2 s ALA 448 Ca 0.06 0.38 0.13 0.00 0.00 0.00 0.00 51.96 52.52 1wj2 s ALA 448 Cb -0.15 -3.60 -0.16 0.00 0.00 0.00 0.00 23.12 19.21 1wj2 s ALA 448 CO 0.05 -1.15 0.96 0.00 0.00 0.00 0.00 175.76 175.62 1wj2 h ALA 449 N 8.02 0.63 -0.85 0.00 0.00 -1.98 -2.99 119.26 122.10 1wj2 h ALA 449 Ca -0.24 -1.02 0.22 0.00 0.00 0.00 0.00 54.91 53.87 1wj2 h ALA 449 Cb 1.09 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1wj2 h ALA 449 CO 0.97 1.18 0.59 1.79 0.00 0.00 0.00 179.25 183.79 1wj2 h THR 450 N 0.00 0.63 -2.38 0.00 1.35 -1.96 -3.41 112.91 107.14 1wj2 h THR 450 Ca -0.15 -0.06 -0.50 0.00 -0.55 0.00 0.00 66.41 65.16 1wj2 h THR 450 Cb 1.75 0.45 -0.02 0.00 -1.73 0.00 0.00 68.15 68.60 1wj2 h THR 450 CO 0.08 0.03 -0.45 -1.81 -0.25 0.00 0.00 175.52 173.12 1wj2 s ASP 451 N -5.71 6.33 0.61 5.36 1.11 -1.25 -4.98 116.67 118.14 1wj2 s ASP 451 Ca -0.06 0.12 0.29 0.00 0.18 0.00 0.00 52.55 53.08 1wj2 s ASP 451 Cb 0.22 -1.89 1.52 0.00 1.07 0.00 0.00 42.92 43.84 1wj2 s ASP 451 CO 0.77 -0.01 1.91 1.55 1.18 0.00 0.00 175.17 180.57 1wj2 h PRO 452 N 1.66 0.00 -0.05 8.23 0.13 -1.87 -3.35 132.00 136.74 1wj2 h PRO 452 Ca -0.50 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1wj2 h PRO 452 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 1wj2 h PRO 452 CO 0.65 0.00 -0.05 1.63 -0.23 0.00 0.00 178.00 179.99 1wj2 n LYS 453 N -3.48 0.04 -4.57 0.86 4.76 -1.26 -5.10 118.16 109.41 1wj2 n LYS 453 Ca 0.05 -0.61 -0.33 0.00 -2.87 0.00 0.00 58.31 54.55 1wj2 n LYS 453 Cb 0.56 0.25 -0.11 0.00 -1.84 0.00 0.00 35.03 33.89 1wj2 n LYS 453 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wj2 s ALA 454 N 0.76 2.98 -0.36 7.82 0.00 -1.13 -5.02 121.76 126.82 1wj2 s ALA 454 Ca 0.23 -0.95 -0.00 0.00 0.00 0.00 0.00 51.96 51.25 1wj2 s ALA 454 Cb 0.16 -1.18 0.13 0.00 0.00 0.00 0.00 23.12 22.24 1wj2 s ALA 454 CO -0.10 0.59 0.20 0.08 0.00 0.00 0.00 175.76 176.53 1wj2 s VAL 455 N -0.88 0.41 0.06 0.00 1.01 -1.26 0.10 120.40 119.84 1wj2 s VAL 455 Ca 0.14 -1.74 -0.27 0.00 0.00 0.00 0.00 61.98 60.11 1wj2 s VAL 455 Cb -0.11 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1wj2 s VAL 455 CO 0.04 -0.92 0.85 0.54 0.00 0.00 0.00 175.10 175.61 1wj2 s VAL 456 N 1.09 4.67 -0.10 2.92 0.11 -0.33 -4.94 120.40 123.81 1wj2 s VAL 456 Ca 0.16 1.82 -0.00 0.00 -2.93 0.00 0.00 61.98 61.03 1wj2 s VAL 456 Cb -0.22 -4.21 0.02 0.00 -1.53 0.00 0.00 36.38 30.45 1wj2 s VAL 456 CO -0.05 0.33 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.08 1wj2 s THR 457 N 0.08 0.97 0.18 5.04 2.01 -1.26 -2.06 115.64 120.60 1wj2 s THR 457 Ca 0.43 -0.27 -0.03 0.00 0.31 0.00 0.00 61.69 62.12 1wj2 s THR 457 Cb -0.21 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.25 1wj2 s THR 457 CO 0.26 0.35 0.40 -0.89 -0.69 0.00 0.00 174.62 174.05 1wj2 s THR 458 N 1.59 5.17 -0.22 -0.82 2.01 -0.56 -4.95 115.64 117.86 1wj2 s THR 458 Ca 0.02 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.88 1wj2 s THR 458 Cb -0.13 -3.67 0.07 0.00 0.01 0.00 0.00 72.50 68.78 1wj2 s THR 458 CO -0.06 -0.07 0.05 -0.31 -0.69 0.00 0.00 174.62 173.53 1wj2 s TYR 459 N -1.78 1.13 -0.28 4.92 1.51 -1.26 -2.15 117.35 119.44 1wj2 s TYR 459 Ca 0.40 -1.03 -0.06 0.00 -1.01 0.00 0.00 57.07 55.37 1wj2 s TYR 459 Cb -0.12 -1.15 0.00 0.00 -0.11 0.00 0.00 41.96 40.59 1wj2 s TYR 459 CO 0.27 -0.67 0.05 -1.21 -1.11 0.00 0.00 175.55 172.88 1wj2 s GLU 460 N 1.82 3.18 0.00 -0.62 0.41 -0.74 -4.98 118.70 117.78 1wj2 s GLU 460 Ca 0.01 -0.79 0.00 0.00 -0.41 0.00 0.00 54.97 53.78 1wj2 s GLU 460 Cb -0.17 -3.29 0.00 0.00 -1.78 0.00 0.00 34.13 28.89 1wj2 s GLU 460 CO -0.13 -0.38 0.00 0.41 -0.49 0.00 0.00 175.26 174.68 1wj2 n GLY 461 N 4.85 1.64 3.98 -1.39 0.00 -1.26 -1.95 105.19 111.05 1wj2 n GLY 461 Ca -0.15 -1.52 -0.23 0.00 0.00 0.00 0.00 46.02 44.11 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 -5.08 2.05 -0.12 1.61 -0.14 -1.26 -4.76 119.74 112.05 1wj2 s LYS 462 Ca 0.00 -0.90 -0.13 0.00 -1.36 0.00 0.00 55.97 53.58 1wj2 s LYS 462 Cb 0.00 -2.37 -0.05 0.00 -1.68 0.00 0.00 37.83 33.73 1wj2 s LYS 462 CO 0.00 -1.15 0.29 -1.01 -0.76 0.00 0.00 175.35 172.72 1wj2 s HIS 463 N -3.01 3.54 -0.43 3.18 3.76 -1.26 -4.65 115.29 116.43 1wj2 s HIS 463 Ca 0.62 0.67 0.05 0.00 -0.15 0.00 0.00 55.06 56.25 1wj2 s HIS 463 Cb -0.08 -2.26 0.60 0.00 1.11 0.00 0.00 32.58 31.95 1wj2 s HIS 463 CO 0.42 0.41 1.80 0.09 -0.85 0.00 0.00 174.74 176.61 1wj2 n ASN 464 N 2.92 3.83 -3.68 1.40 3.02 -1.26 -4.95 115.26 116.54 1wj2 n ASN 464 Ca -0.14 -3.68 -0.11 0.00 -0.03 0.00 0.00 54.58 50.62 1wj2 n ASN 464 Cb 0.52 -0.79 -0.06 0.00 -0.61 0.00 0.00 39.78 38.84 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 -3.35 -0.19 0.69 3.10 -3.43 -1.26 -4.84 115.29 106.01 1wj2 s HIS 465 Ca 0.55 0.02 -0.11 0.00 -0.80 0.00 0.00 55.06 54.72 1wj2 s HIS 465 Cb 0.46 0.20 0.02 0.00 -1.43 0.00 0.00 32.58 31.83 1wj2 s HIS 465 CO 0.07 -0.61 1.07 -0.51 -2.00 0.00 0.00 174.74 172.76 1wj2 s ASP 466 N -2.36 5.44 -0.04 7.38 1.11 -1.26 -5.00 116.67 121.94 1wj2 s ASP 466 Ca -0.02 1.06 -0.30 0.00 0.18 0.00 0.00 52.55 53.48 1wj2 s ASP 466 Cb 0.01 -1.88 -0.05 0.00 1.07 0.00 0.00 42.92 42.07 1wj2 s ASP 466 CO -0.07 -1.32 1.44 -0.76 1.18 0.00 0.00 175.17 175.64 1wj2 s LEU 467 N -5.32 4.30 0.97 1.23 1.43 -1.26 -5.01 118.68 115.01 1wj2 s LEU 467 Ca 0.58 2.08 -0.12 0.00 -1.03 0.00 0.00 54.13 55.63 1wj2 s LEU 467 Cb -0.11 -3.55 0.17 0.00 0.03 0.00 0.00 46.19 42.73 1wj2 s LEU 467 CO 0.51 -0.77 1.11 -2.16 0.23 0.00 0.00 176.35 175.26 1wj2 s PRO 468 N 2.93 0.70 0.00 1.29 0.04 -1.26 -5.15 135.00 133.55 1wj2 s PRO 468 Ca 0.65 0.44 0.26 0.00 0.04 0.00 0.00 61.00 62.39 1wj2 s PRO 468 Cb -0.30 -1.77 0.64 0.00 0.04 0.00 0.00 34.50 33.10 1wj2 s PRO 468 CO 0.25 -2.53 1.51 0.00 0.04 0.00 0.00 177.00 176.27