#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 1.66 -1.11 7.34 -0.21 -1.26 -5.05 119.66 121.03 1wj2 s GLN 400 Ca 0.00 -1.77 -0.19 0.00 0.02 0.00 0.00 55.36 53.42 1wj2 s GLN 400 Cb 0.00 -3.18 0.09 0.00 1.00 0.00 0.00 33.01 30.93 1wj2 s GLN 400 CO 0.00 -0.88 1.46 -0.08 -2.12 0.00 0.00 175.29 173.67 1wj2 s THR 401 N 0.96 4.33 0.19 -0.19 -1.32 -1.26 -4.97 115.64 113.38 1wj2 s THR 401 Ca 0.07 -1.58 0.09 0.00 -1.21 0.00 0.00 61.69 59.07 1wj2 s THR 401 Cb -0.19 -5.02 -0.04 0.00 -1.51 0.00 0.00 72.50 65.74 1wj2 s THR 401 CO -0.07 -1.82 -0.11 0.42 -2.21 0.00 0.00 174.62 170.82 1wj2 s THR 402 N 3.71 3.07 -0.66 5.08 -4.23 -1.26 -5.07 115.64 116.29 1wj2 s THR 402 Ca 0.45 -1.74 -0.27 0.00 -1.18 0.00 0.00 61.69 58.95 1wj2 s THR 402 Cb -0.00 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.31 1wj2 s THR 402 CO -0.03 -0.13 1.57 -0.55 -0.54 0.00 0.00 174.62 174.94 1wj2 s SER 403 N -2.87 5.73 -0.91 3.99 0.15 -1.26 -4.94 113.70 113.58 1wj2 s SER 403 Ca 0.25 -0.00 -0.21 0.00 0.70 0.00 0.00 55.95 56.69 1wj2 s SER 403 Cb -0.08 -2.54 0.09 0.00 -1.71 0.00 0.00 66.02 61.77 1wj2 s SER 403 CO 0.15 -2.09 1.22 -1.61 1.20 0.00 0.00 173.24 172.11 1wj2 s GLU 404 N 6.35 3.50 -0.39 5.44 8.01 -1.26 -4.99 118.70 135.36 1wj2 s GLU 404 Ca 0.52 -1.33 -0.22 0.00 0.01 0.00 0.00 54.97 53.95 1wj2 s GLU 404 Cb -0.11 -4.93 0.01 0.00 -4.31 0.00 0.00 34.13 24.80 1wj2 s GLU 404 CO 0.19 -1.95 0.71 0.54 0.01 0.00 0.00 175.26 174.76 1wj2 s VAL 405 N 3.82 4.78 -0.07 2.63 0.11 -1.26 -5.03 120.40 125.38 1wj2 s VAL 405 Ca 0.36 0.55 -0.00 0.00 -2.93 0.00 0.00 61.98 59.96 1wj2 s VAL 405 Cb -0.05 -4.19 0.02 0.00 -1.53 0.00 0.00 36.38 30.63 1wj2 s VAL 405 CO -0.06 -0.49 -0.05 -1.81 -3.33 0.00 0.00 175.10 169.37 1wj2 s ASP 406 N 1.92 1.56 -0.43 3.54 1.01 -1.26 -5.11 116.67 117.90 1wj2 s ASP 406 Ca 0.27 -0.18 -0.23 0.00 0.71 0.00 0.00 52.55 53.13 1wj2 s ASP 406 Cb -0.13 -0.59 0.02 0.00 1.01 0.00 0.00 42.92 43.23 1wj2 s ASP 406 CO 0.18 -0.11 0.79 -0.76 0.21 0.00 0.00 175.17 175.48 1wj2 s LEU 407 N 1.44 4.22 0.01 1.23 1.02 -1.26 -5.01 118.68 120.34 1wj2 s LEU 407 Ca -0.02 -0.01 -0.30 0.00 0.02 0.00 0.00 54.13 53.82 1wj2 s LEU 407 Cb -0.13 -2.98 -0.07 0.00 0.02 0.00 0.00 46.19 43.02 1wj2 s LEU 407 CO -0.03 -0.88 1.71 -1.48 0.02 0.00 0.00 176.35 175.68 1wj2 s LEU 408 N 3.27 4.36 -0.23 1.79 2.34 -1.26 -4.89 118.68 124.06 1wj2 s LEU 408 Ca 0.30 2.42 -0.29 0.00 0.06 0.00 0.00 54.13 56.62 1wj2 s LEU 408 Cb -0.12 -3.55 -0.06 0.00 -0.56 0.00 0.00 46.19 41.90 1wj2 s LEU 408 CO 0.22 -0.93 2.21 -0.67 -1.06 0.00 0.00 176.35 176.12 1wj2 n ASP 409 N 6.56 3.14 -1.97 1.48 2.03 -1.26 -4.94 116.55 121.60 1wj2 n ASP 409 Ca 0.17 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.73 1wj2 n ASP 409 Cb 0.41 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.30 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 11.32 1.28 -2.00 1.67 2.03 -1.26 -5.03 116.55 124.56 1wj2 n ASP 410 Ca 0.31 -0.98 -0.17 0.00 0.52 0.00 0.00 54.79 54.46 1wj2 n ASP 410 Cb 0.42 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 40.99 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 5.00 3.96 3.68 0.27 0.00 -1.26 -4.93 105.19 111.91 1wj2 n GLY 411 Ca 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.76 0.37 -0.70 1.61 2.02 -1.26 -4.61 117.35 112.03 1wj2 s TYR 412 Ca 0.48 -0.83 -0.12 0.00 -0.37 0.00 0.00 57.07 56.23 1wj2 s TYR 412 Cb 0.40 0.42 0.18 0.00 -0.40 0.00 0.00 41.96 42.57 1wj2 s TYR 412 CO 0.10 -1.27 0.61 1.03 -1.57 0.00 0.00 175.55 174.45 1wj2 s ARG 413 N -3.17 3.18 0.29 -0.62 1.81 -1.26 -5.06 118.95 114.13 1wj2 s ARG 413 Ca 0.20 -2.25 0.02 0.00 -1.72 0.00 0.00 55.73 51.98 1wj2 s ARG 413 Cb -0.03 -4.23 -0.03 0.00 -0.45 0.00 0.00 34.95 30.21 1wj2 s ARG 413 CO 0.12 -1.27 0.46 -1.58 -0.68 0.00 0.00 175.30 172.36 1wj2 s TRP 414 N 0.54 3.48 -0.21 -0.53 0.52 -1.26 -1.24 118.94 120.23 1wj2 s TRP 414 Ca 0.13 0.22 -0.12 0.00 0.02 0.00 0.00 56.10 56.36 1wj2 s TRP 414 Cb -0.17 -1.78 0.07 0.00 -1.15 0.00 0.00 33.47 30.44 1wj2 s TRP 414 CO -0.05 0.26 0.51 0.50 0.02 0.00 0.00 176.95 178.19 1wj2 s ARG 415 N -4.08 0.50 0.43 4.98 6.06 -0.07 -4.81 118.95 121.95 1wj2 s ARG 415 Ca 0.38 0.94 -0.18 0.00 -2.50 0.00 0.00 55.73 54.37 1wj2 s ARG 415 Cb -0.10 0.04 -0.09 0.00 0.06 0.00 0.00 34.95 34.86 1wj2 s ARG 415 CO 0.33 -0.16 0.90 0.21 -2.50 0.00 0.00 175.30 174.08 1wj2 s LYS 416 N 1.49 4.07 0.00 5.12 2.20 -1.26 -1.57 119.74 129.80 1wj2 s LYS 416 Ca -0.10 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 56.45 1wj2 s LYS 416 Cb -0.07 -2.24 0.00 0.00 -1.51 0.00 0.00 37.83 34.01 1wj2 s LYS 416 CO -0.15 -0.06 0.00 2.48 -0.36 0.00 0.00 175.35 177.26 1wj2 n TYR 417 N -0.89 0.00 -4.04 4.03 0.18 -1.25 -4.99 117.16 110.21 1wj2 n TYR 417 Ca 0.06 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.79 1wj2 n TYR 417 Cb 0.54 0.22 -0.02 0.00 -0.38 0.00 0.00 39.34 39.70 1wj2 n TYR 417 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1wj2 n GLY 418 N 2.06 3.64 3.64 -7.48 0.00 -1.26 -5.13 105.19 100.66 1wj2 n GLY 418 Ca 0.00 -1.69 -0.05 0.00 0.00 0.00 0.00 46.02 44.28 1wj2 n GLY 418 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wj2 s GLN 419 N -2.35 0.95 0.18 1.61 -2.07 -1.26 -3.57 119.66 113.16 1wj2 s GLN 419 Ca 0.10 -0.46 0.09 0.00 -1.82 0.00 0.00 55.36 53.27 1wj2 s GLN 419 Cb 0.00 0.37 -0.04 0.00 -1.09 0.00 0.00 33.01 32.25 1wj2 s GLN 419 CO 0.07 -0.43 -0.18 0.15 -1.32 0.00 0.00 175.29 173.59 1wj2 s LYS 420 N -3.12 1.32 -0.03 9.60 -0.14 0.65 -5.00 119.74 123.01 1wj2 s LYS 420 Ca 0.09 -1.47 0.07 0.00 -1.36 0.00 0.00 55.97 53.30 1wj2 s LYS 420 Cb -0.01 -1.32 -0.01 0.00 -1.68 0.00 0.00 37.83 34.81 1wj2 s LYS 420 CO -0.03 0.26 -0.23 0.54 -0.76 0.00 0.00 175.35 175.12 1wj2 s VAL 421 N -2.28 1.86 -0.12 3.17 0.11 -1.26 -0.74 120.40 121.15 1wj2 s VAL 421 Ca 0.18 -0.99 0.03 0.00 -2.93 0.00 0.00 61.98 58.27 1wj2 s VAL 421 Cb -0.05 -1.56 0.01 0.00 -1.53 0.00 0.00 36.38 33.25 1wj2 s VAL 421 CO 0.07 0.53 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.47 1wj2 s VAL 422 N -0.35 1.88 -0.07 2.04 1.01 -1.26 -5.00 120.40 118.64 1wj2 s VAL 422 Ca 0.03 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 1wj2 s VAL 422 Cb -0.11 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1wj2 s VAL 422 CO 0.01 0.52 1.42 -0.54 0.00 0.00 0.00 175.10 176.51 1wj2 s LYS 423 N 0.70 4.24 0.00 2.72 3.01 -1.26 -3.07 119.74 126.08 1wj2 s LYS 423 Ca -0.11 1.92 0.00 0.00 -1.01 0.00 0.00 55.97 56.77 1wj2 s LYS 423 Cb -0.16 -3.75 0.00 0.00 -1.01 0.00 0.00 37.83 32.91 1wj2 s LYS 423 CO 0.02 -0.69 0.00 0.41 0.51 0.00 0.00 175.35 175.60 1wj2 n GLY 424 N 3.76 3.10 3.73 -3.33 0.00 -1.26 -5.06 105.19 106.12 1wj2 n GLY 424 Ca 0.14 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 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 7.23 0.35 1.61 0.02 -1.18 -4.96 114.94 118.02 1wj2 s ASN 425 Ca 0.00 1.48 0.19 0.00 -1.02 0.00 0.00 52.86 53.51 1wj2 s ASN 425 Cb 0.00 -2.49 0.47 0.00 0.02 0.00 0.00 41.25 39.25 1wj2 s ASN 425 CO 0.00 -0.08 1.63 1.55 0.02 0.00 0.00 177.10 180.22 1wj2 h PRO 426 N 6.12 0.00 -4.39 -0.60 0.13 -1.95 -3.42 132.00 127.89 1wj2 h PRO 426 Ca -0.43 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 63.97 1wj2 h PRO 426 Cb 1.21 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.11 1wj2 h PRO 426 CO 0.73 0.38 -0.38 0.71 -0.23 0.00 0.00 178.00 179.21 1wj2 s TYR 427 N -3.33 3.25 0.00 1.56 2.02 -1.26 -5.08 117.35 114.51 1wj2 s TYR 427 Ca 0.02 -0.83 0.00 0.00 -0.37 0.00 0.00 57.07 55.89 1wj2 s TYR 427 Cb 0.09 -2.92 0.00 0.00 -0.40 0.00 0.00 41.96 38.73 1wj2 s TYR 427 CO 0.70 -0.72 0.00 -2.30 -1.57 0.00 0.00 175.55 171.66 1wj2 n PRO 428 N 5.17 0.52 -4.09 -1.71 -0.02 -1.26 -4.71 135.00 128.90 1wj2 n PRO 428 Ca -0.12 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.08 1wj2 n PRO 428 Cb 0.45 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.76 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 -0.71 1.95 0.28 -0.52 0.52 0.09 -4.51 118.95 116.04 1wj2 s ARG 429 Ca 0.00 -0.43 0.07 0.00 -0.52 0.00 0.00 55.73 54.85 1wj2 s ARG 429 Cb 0.00 -1.82 -0.03 0.00 0.52 0.00 0.00 34.95 33.62 1wj2 s ARG 429 CO 0.00 -0.20 0.21 -1.12 0.02 0.00 0.00 175.30 174.21 1wj2 s SER 430 N 1.42 5.38 -0.30 0.23 0.01 -1.19 -0.25 113.70 119.00 1wj2 s SER 430 Ca 0.02 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 56.95 1wj2 s SER 430 Cb -0.13 -1.24 0.16 0.00 0.21 0.00 0.00 66.02 65.02 1wj2 s SER 430 CO -0.07 -0.12 0.42 -0.31 0.41 0.00 0.00 173.24 173.57 1wj2 s TYR 431 N -2.20 -1.03 0.24 2.43 2.02 -1.23 -2.00 117.35 115.58 1wj2 s TYR 431 Ca 0.35 0.29 -0.01 0.00 -0.37 0.00 0.00 57.07 57.33 1wj2 s TYR 431 Cb -0.07 -0.14 0.05 0.00 -0.40 0.00 0.00 41.96 41.40 1wj2 s TYR 431 CO 0.25 -1.00 0.33 0.66 -1.57 0.00 0.00 175.55 174.23 1wj2 n TYR 432 N 5.28 -3.31 -3.64 2.71 4.02 -0.42 -3.77 117.16 118.03 1wj2 n TYR 432 Ca 0.02 -0.55 -0.03 0.00 -0.01 0.00 0.00 57.90 57.32 1wj2 n TYR 432 Cb 0.49 -0.25 -0.07 0.00 -0.02 0.00 0.00 39.34 39.50 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 -3.33 0.38 -0.65 -0.72 -2.85 -0.61 -1.35 119.74 110.62 1wj2 s LYS 433 Ca 0.22 0.64 -0.26 0.00 -1.00 0.00 0.00 55.97 55.57 1wj2 s LYS 433 Cb -0.01 0.09 -0.03 0.00 -2.06 0.00 0.00 37.83 35.82 1wj2 s LYS 433 CO 0.14 -0.08 1.94 0.00 0.10 0.00 0.00 175.35 177.46 1wj2 s THR 435 N 9.68 5.52 0.29 0.00 -1.32 -0.37 -2.31 115.64 127.12 1wj2 s THR 435 Ca 0.71 -2.98 0.06 0.00 -1.21 0.00 0.00 61.69 58.27 1wj2 s THR 435 Cb -0.12 -4.74 -0.02 0.00 -1.51 0.00 0.00 72.50 66.10 1wj2 s THR 435 CO 0.18 -1.39 0.41 -0.89 -2.21 0.00 0.00 174.62 170.72 1wj2 s THR 436 N 0.18 4.67 0.57 5.08 2.01 0.13 -4.92 115.64 123.35 1wj2 s THR 436 Ca 0.36 -1.00 0.28 0.00 0.31 0.00 0.00 61.69 61.64 1wj2 s THR 436 Cb -0.07 -3.63 0.39 0.00 0.01 0.00 0.00 72.50 69.20 1wj2 s THR 436 CO -0.04 -0.25 1.96 -0.65 -0.69 0.00 0.00 174.62 174.95 1wj2 h PRO 437 N 1.04 0.00 -0.44 4.92 0.11 -1.99 -2.77 132.00 132.87 1wj2 h PRO 437 Ca -0.49 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.38 1wj2 h PRO 437 Cb 1.24 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.96 1wj2 h PRO 437 CO 0.57 0.00 -1.10 0.41 -0.21 0.00 0.00 178.00 177.67 1wj2 n GLY 438 N -1.54 1.78 3.64 -0.55 0.00 -1.26 -5.07 105.19 102.19 1wj2 n GLY 438 Ca 0.08 -1.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.00 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 4.17 4.60 3.85 0.00 0.00 -1.24 -0.69 105.19 115.88 1wj2 n GLY 440 Ca -0.19 -2.31 -0.32 0.00 0.00 0.00 0.00 46.02 43.20 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 -3.24 4.60 -0.01 1.61 1.01 -0.98 -4.87 120.40 118.51 1wj2 s VAL 441 Ca 0.44 1.07 0.05 0.00 0.00 0.00 0.00 61.98 63.54 1wj2 s VAL 441 Cb 0.28 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1wj2 s VAL 441 CO -0.10 -0.68 -0.16 -0.13 0.00 0.00 0.00 175.10 174.03 1wj2 s ARG 442 N -4.10 1.33 0.09 2.72 0.52 -1.02 0.60 118.95 119.09 1wj2 s ARG 442 Ca 0.57 -0.57 0.02 0.00 -0.52 0.00 0.00 55.73 55.23 1wj2 s ARG 442 Cb -0.10 -1.27 -0.04 0.00 0.52 0.00 0.00 34.95 34.06 1wj2 s ARG 442 CO 0.33 0.34 -0.07 -1.59 0.02 0.00 0.00 175.30 174.32 1wj2 s LYS 443 N -0.34 0.81 0.31 3.54 -2.85 -0.46 -1.27 119.74 119.49 1wj2 s LYS 443 Ca 0.05 -1.26 0.07 0.00 -1.00 0.00 0.00 55.97 53.83 1wj2 s LYS 443 Cb -0.07 -0.26 -0.06 0.00 -2.06 0.00 0.00 37.83 35.39 1wj2 s LYS 443 CO -0.00 0.00 -0.05 -1.01 0.10 0.00 0.00 175.35 174.38 1wj2 s HIS 444 N -3.28 2.13 -0.32 1.78 3.76 -0.78 -1.30 115.29 117.28 1wj2 s HIS 444 Ca 0.09 -0.66 -0.00 0.00 -0.15 0.00 0.00 55.06 54.33 1wj2 s HIS 444 Cb 0.03 -1.27 0.13 0.00 1.11 0.00 0.00 32.58 32.59 1wj2 s HIS 444 CO -0.04 0.36 0.26 0.08 -0.85 0.00 0.00 174.74 174.55 1wj2 s VAL 445 N -2.90 -0.20 -0.20 -0.90 1.01 -0.85 -2.75 120.40 113.61 1wj2 s VAL 445 Ca 0.32 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 1wj2 s VAL 445 Cb 0.04 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1wj2 s VAL 445 CO 0.14 -0.67 0.06 -1.61 0.00 0.00 0.00 175.10 173.03 1wj2 s GLU 446 N 1.80 3.86 -0.66 2.72 8.01 -0.50 -3.19 118.70 130.74 1wj2 s GLU 446 Ca 0.13 -0.40 -0.08 0.00 0.01 0.00 0.00 54.97 54.64 1wj2 s GLU 446 Cb -0.17 -3.24 0.17 0.00 -4.31 0.00 0.00 34.13 26.59 1wj2 s GLU 446 CO -0.20 0.13 0.53 1.03 0.01 0.00 0.00 175.26 176.76 1wj2 s ARG 447 N 0.76 2.88 0.11 1.61 3.00 -1.26 -0.24 118.95 125.82 1wj2 s ARG 447 Ca 0.03 -2.36 -0.31 0.00 0.00 0.00 0.00 55.73 53.09 1wj2 s ARG 447 Cb -0.13 -3.99 -0.11 0.00 0.00 0.00 0.00 34.95 30.72 1wj2 s ARG 447 CO 0.02 -1.22 1.85 0.00 0.00 0.00 0.00 175.30 175.96 1wj2 n ALA 448 N 3.92 2.12 0.12 2.13 0.00 -0.03 -4.77 120.51 123.99 1wj2 n ALA 448 Ca 0.07 0.31 0.08 0.00 0.00 0.00 0.00 53.44 53.89 1wj2 n ALA 448 Cb 0.41 -2.60 0.02 0.00 0.00 0.00 0.00 19.45 17.29 1wj2 n ALA 448 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wj2 h ALA 449 N 8.71 0.67 -0.96 0.00 0.00 -1.95 -2.97 119.26 122.75 1wj2 h ALA 449 Ca -0.47 -0.24 0.24 0.00 0.00 0.00 0.00 54.91 54.44 1wj2 h ALA 449 Cb 1.22 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1wj2 h ALA 449 CO 0.95 0.28 0.64 1.79 0.00 0.00 0.00 179.25 182.90 1wj2 h THR 450 N 0.00 0.60 -1.91 0.00 1.35 -1.97 -3.41 112.91 107.56 1wj2 h THR 450 Ca -0.03 -0.11 -0.45 0.00 -0.55 0.00 0.00 66.41 65.27 1wj2 h THR 450 Cb 1.17 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1wj2 h THR 450 CO 0.02 0.06 -0.37 -0.62 -0.25 0.00 0.00 175.52 174.36 1wj2 s ASP 451 N -5.50 6.07 0.52 5.36 2.15 -1.25 -4.99 116.67 119.03 1wj2 s ASP 451 Ca -0.08 -0.11 0.30 0.00 0.43 0.00 0.00 52.55 53.09 1wj2 s ASP 451 Cb 0.23 -1.41 1.44 0.00 -0.30 0.00 0.00 42.92 42.87 1wj2 s ASP 451 CO 0.79 -0.32 1.87 -0.65 -0.17 0.00 0.00 175.17 176.68 1wj2 h PRO 452 N 0.98 0.06 -0.09 4.34 0.11 -1.88 -3.37 132.00 132.14 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 -0.01 -0.15 0.00 0.11 0.00 0.00 31.00 32.19 1wj2 h PRO 452 CO 0.55 0.04 -0.08 0.21 -0.21 0.00 0.00 178.00 178.51 1wj2 s LYS 453 N -5.04 0.10 -0.16 1.05 2.47 -1.26 -5.09 119.74 111.81 1wj2 s LYS 453 Ca -0.06 -0.10 -0.08 0.00 -1.56 0.00 0.00 55.97 54.18 1wj2 s LYS 453 Cb 0.22 -0.00 -0.04 0.00 -1.46 0.00 0.00 37.83 36.54 1wj2 s LYS 453 CO 0.78 -0.12 0.11 0.00 0.16 0.00 0.00 175.35 176.28 1wj2 s ALA 454 N 0.99 3.69 -0.50 3.13 0.00 -1.12 -5.02 121.76 122.92 1wj2 s ALA 454 Ca 0.23 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.54 1wj2 s ALA 454 Cb 0.15 -2.00 0.17 0.00 0.00 0.00 0.00 23.12 21.44 1wj2 s ALA 454 CO -0.11 0.37 0.39 0.08 0.00 0.00 0.00 175.76 176.49 1wj2 s VAL 455 N -0.27 1.08 0.03 0.00 1.01 -1.26 -0.85 120.40 120.14 1wj2 s VAL 455 Ca 0.10 -3.13 -0.30 0.00 0.00 0.00 0.00 61.98 58.65 1wj2 s VAL 455 Cb -0.12 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1wj2 s VAL 455 CO 0.01 -1.17 1.12 0.54 0.00 0.00 0.00 175.10 175.60 1wj2 s VAL 456 N -0.39 4.34 0.16 2.92 0.11 0.66 -4.90 120.40 123.30 1wj2 s VAL 456 Ca 0.31 1.68 0.06 0.00 -2.93 0.00 0.00 61.98 61.10 1wj2 s VAL 456 Cb 0.02 -4.07 -0.04 0.00 -1.53 0.00 0.00 36.38 30.75 1wj2 s VAL 456 CO -0.19 0.12 0.03 -0.89 -3.33 0.00 0.00 175.10 170.84 1wj2 s THR 457 N 1.16 3.94 0.01 5.04 2.01 -1.26 -1.41 115.64 125.13 1wj2 s THR 457 Ca 0.56 -1.29 0.04 0.00 0.31 0.00 0.00 61.69 61.31 1wj2 s THR 457 Cb -0.26 -2.98 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 1wj2 s THR 457 CO 0.28 -0.08 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.13 1wj2 s THR 458 N -1.68 0.88 -0.16 -0.82 2.01 -1.11 -4.98 115.64 109.77 1wj2 s THR 458 Ca 0.28 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.60 1wj2 s THR 458 Cb -0.10 -0.77 0.04 0.00 0.01 0.00 0.00 72.50 71.68 1wj2 s THR 458 CO 0.20 0.10 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.88 1wj2 s TYR 459 N -0.54 1.50 -0.27 4.92 1.51 -1.26 -1.87 117.35 121.34 1wj2 s TYR 459 Ca 0.02 -0.96 0.01 0.00 -1.01 0.00 0.00 57.07 55.13 1wj2 s TYR 459 Cb -0.06 -1.22 0.06 0.00 -0.11 0.00 0.00 41.96 40.63 1wj2 s TYR 459 CO 0.00 -0.59 -0.07 -1.21 -1.11 0.00 0.00 175.55 172.57 1wj2 s GLU 460 N 1.70 2.29 0.00 -0.62 2.02 -0.39 -5.03 118.70 118.66 1wj2 s GLU 460 Ca 0.01 -1.33 0.00 0.00 0.02 0.00 0.00 54.97 53.67 1wj2 s GLU 460 Cb -0.15 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.09 1wj2 s GLU 460 CO -0.07 -0.59 0.00 0.41 0.02 0.00 0.00 175.26 175.02 1wj2 n GLY 461 N 4.49 2.99 3.68 -1.39 0.00 -1.26 -2.43 105.19 111.27 1wj2 n GLY 461 Ca -0.13 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 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 -3.55 2.78 0.53 1.61 3.01 -1.26 -4.89 119.74 117.97 1wj2 s LYS 462 Ca 0.00 -0.62 -0.21 0.00 -1.01 0.00 0.00 55.97 54.14 1wj2 s LYS 462 Cb 0.00 -2.66 -0.05 0.00 -1.01 0.00 0.00 37.83 34.10 1wj2 s LYS 462 CO 0.00 0.62 1.20 -1.01 0.51 0.00 0.00 175.35 176.67 1wj2 s HIS 463 N -1.09 2.59 -0.29 3.18 3.76 -1.26 -4.82 115.29 117.36 1wj2 s HIS 463 Ca 0.20 1.51 0.14 0.00 -0.15 0.00 0.00 55.06 56.75 1wj2 s HIS 463 Cb -0.12 -3.45 0.48 0.00 1.11 0.00 0.00 32.58 30.60 1wj2 s HIS 463 CO 0.10 -1.94 1.15 0.09 -0.85 0.00 0.00 174.74 173.29 1wj2 n ASN 464 N -1.09 3.45 -3.68 1.40 3.02 -1.26 -5.06 115.26 112.03 1wj2 n ASN 464 Ca 0.11 -3.02 -0.08 0.00 -0.03 0.00 0.00 54.58 51.56 1wj2 n ASN 464 Cb 0.49 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 39.23 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 -3.67 -0.29 0.37 3.10 -3.43 -1.26 -4.67 115.29 105.44 1wj2 s HIS 465 Ca 0.40 -0.04 -0.15 0.00 -0.80 0.00 0.00 55.06 54.48 1wj2 s HIS 465 Cb 0.38 0.64 -0.09 0.00 -1.43 0.00 0.00 32.58 32.08 1wj2 s HIS 465 CO -0.00 -0.97 0.79 -0.51 -2.00 0.00 0.00 174.74 172.04 1wj2 s ASP 466 N -2.83 6.72 0.28 7.38 1.01 -1.26 -5.02 116.67 122.95 1wj2 s ASP 466 Ca 0.08 1.32 -0.30 0.00 0.71 0.00 0.00 52.55 54.35 1wj2 s ASP 466 Cb -0.03 -2.39 -0.11 0.00 1.01 0.00 0.00 42.92 41.39 1wj2 s ASP 466 CO -0.01 -0.30 1.60 -0.76 0.21 0.00 0.00 175.17 175.91 1wj2 s LEU 467 N -3.30 4.35 0.00 1.23 1.02 -1.26 -5.00 118.68 115.72 1wj2 s LEU 467 Ca 0.55 2.92 -0.18 0.00 0.02 0.00 0.00 54.13 57.44 1wj2 s LEU 467 Cb -0.10 -3.63 0.27 0.00 0.02 0.00 0.00 46.19 42.75 1wj2 s LEU 467 CO 0.21 -0.91 0.97 -0.81 0.02 0.00 0.00 176.35 175.83 1wj2 n PRO 468 N 2.47 -2.82 0.00 1.29 -0.04 -1.26 -5.17 135.00 129.47 1wj2 n PRO 468 Ca 0.09 -1.55 0.11 0.00 -0.04 0.00 0.00 63.50 62.12 1wj2 n PRO 468 Cb 0.37 -1.43 0.09 0.00 -0.04 0.00 0.00 33.50 32.50 1wj2 n PRO 468 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46