#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2v9j n MET 394 N 0.00 0.00 -3.32 4.33 0.00 -1.26 -4.89 117.12 111.98 2v9j n MET 394 Ca 0.00 0.26 -0.41 0.00 0.00 0.00 0.00 57.70 57.55 2v9j n MET 394 Cb 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 33.22 32.38 2v9j n MET 394 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2v9j s ALA 395 N -3.48 3.51 -0.18 3.04 0.00 -1.26 -5.06 121.76 118.33 2v9j s ALA 395 Ca 0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 50.89 2v9j s ALA 395 Cb 0.00 -2.88 -0.05 0.00 0.00 0.00 0.00 23.12 20.19 2v9j s ALA 395 CO 0.00 -1.01 0.11 -1.58 0.00 0.00 0.00 175.76 173.27 2v9j s TRP 396 N 2.21 3.39 -0.12 0.00 0.52 -1.26 -5.10 118.94 118.58 2v9j s TRP 396 Ca 0.16 0.29 -0.00 0.00 0.02 0.00 0.00 56.10 56.57 2v9j s TRP 396 Cb -0.16 -2.09 -0.02 0.00 -1.15 0.00 0.00 33.47 30.05 2v9j s TRP 396 CO 0.12 0.34 -0.10 -1.01 0.02 0.00 0.00 176.95 176.31 2v9j s HIS 397 N 0.08 2.87 0.06 -1.98 3.76 -1.26 -5.08 115.29 113.74 2v9j s HIS 397 Ca 0.08 -0.40 -0.31 0.00 -0.15 0.00 0.00 55.06 54.29 2v9j s HIS 397 Cb -0.12 -1.83 -0.07 0.00 1.11 0.00 0.00 32.58 31.67 2v9j s HIS 397 CO -0.00 -0.04 1.48 -1.17 -0.85 0.00 0.00 174.74 174.16 2v9j s LEU 398 N 0.05 4.35 0.00 0.89 2.96 -1.26 -4.83 118.68 120.84 2v9j s LEU 398 Ca -0.03 2.31 0.00 0.00 -0.22 0.00 0.00 54.13 56.19 2v9j s LEU 398 Cb -0.14 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.98 2v9j s LEU 398 CO 0.04 -0.75 0.00 0.61 -1.32 0.00 0.00 176.35 174.92 2v9j n GLY 399 N 3.70 1.67 3.23 7.98 0.00 -1.26 -4.79 105.19 115.73 2v9j n GLY 399 Ca 0.13 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 2v9j n GLY 399 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2v9j s ILE 400 N 0.00 1.13 0.20 -0.61 -4.36 -0.84 -4.99 121.20 111.74 2v9j s ILE 400 Ca 0.00 -1.93 0.11 0.00 -0.26 0.00 0.00 60.65 58.57 2v9j s ILE 400 Cb 0.00 -1.70 -0.04 0.00 1.25 0.00 0.00 42.46 41.96 2v9j s ILE 400 CO 0.00 -0.67 -0.20 -0.13 0.24 0.00 0.00 174.94 174.18 2v9j s ARG 401 N -3.41 1.67 -0.10 0.37 0.52 -1.26 -0.38 118.95 116.37 2v9j s ARG 401 Ca 0.13 -1.51 -0.23 0.00 -0.52 0.00 0.00 55.73 53.61 2v9j s ARG 401 Cb 0.01 -1.91 0.05 0.00 0.52 0.00 0.00 34.95 33.62 2v9j s ARG 401 CO 0.01 0.40 0.54 0.45 0.02 0.00 0.00 175.30 176.72 2v9j s SER 402 N -2.85 -0.51 -0.18 0.23 0.15 -0.25 -4.97 113.70 105.31 2v9j s SER 402 Ca 0.23 0.71 0.16 0.00 0.70 0.00 0.00 55.95 57.75 2v9j s SER 402 Cb -0.08 0.71 0.65 0.00 -1.71 0.00 0.00 66.02 65.59 2v9j s SER 402 CO 0.12 -0.42 1.57 0.00 1.20 0.00 0.00 173.24 175.71 2v9j n GLN 403 N 1.68 3.78 -1.56 5.44 6.02 -1.26 -0.62 117.38 130.86 2v9j n GLN 403 Ca -0.18 -2.93 -0.31 0.00 -0.01 0.00 0.00 57.00 53.58 2v9j n GLN 403 Cb 0.56 -1.98 0.05 0.00 1.02 0.00 0.00 30.24 29.90 2v9j n GLN 403 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2v9j s SER 404 N -1.31 5.34 0.28 1.08 0.01 -1.26 -4.95 113.70 112.89 2v9j s SER 404 Ca 0.47 1.63 -0.30 0.00 1.31 0.00 0.00 55.95 59.06 2v9j s SER 404 Cb 0.36 -2.50 -0.11 0.00 0.21 0.00 0.00 66.02 63.98 2v9j s SER 404 CO 0.14 -1.47 1.59 -0.13 0.41 0.00 0.00 173.24 173.78 2v9j s ARG 405 N -5.03 4.14 0.23 12.44 0.52 -1.26 -4.83 118.95 125.15 2v9j s ARG 405 Ca 0.58 2.55 -0.11 0.00 -0.52 0.00 0.00 55.73 58.24 2v9j s ARG 405 Cb -0.14 -3.04 0.33 0.00 0.52 0.00 0.00 34.95 32.62 2v9j s ARG 405 CO 0.55 -0.62 1.63 -1.35 0.02 0.00 0.00 175.30 175.52 2v9j h PRO 406 N 5.08 0.04 -0.60 3.54 0.11 -1.97 0.57 132.00 138.77 2v9j h PRO 406 Ca -0.46 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 2v9j h PRO 406 Cb 1.22 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2v9j h PRO 406 CO 0.81 0.03 0.24 -2.95 -0.21 0.00 0.00 178.00 175.91 2v9j h ASN 407 N 0.04 0.79 -0.30 -2.05 -1.07 -1.98 -1.28 115.58 109.74 2v9j h ASN 407 Ca 0.36 -0.10 -0.01 0.00 0.07 0.00 0.00 56.30 56.61 2v9j h ASN 407 Cb 0.58 -0.20 -0.01 0.00 -2.07 0.00 0.00 38.32 36.61 2v9j h ASN 407 CO -0.68 0.71 0.13 0.44 0.07 0.00 0.00 177.43 178.10 2v9j h ASP 408 N 0.86 0.40 0.38 6.14 3.32 -1.40 -1.79 116.42 124.32 2v9j h ASP 408 Ca 0.20 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2v9j h ASP 408 Cb 0.17 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2v9j h ASP 408 CO -0.02 0.43 -0.25 0.40 -1.72 0.00 0.00 179.24 178.08 2v9j h ILE 409 N 0.34 0.48 -0.90 0.35 2.04 -0.07 0.12 117.51 119.87 2v9j h ILE 409 Ca 0.10 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.97 2v9j h ILE 409 Cb 0.14 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 2v9j h ILE 409 CO -0.01 0.00 0.60 0.24 0.00 0.00 0.00 178.15 178.97 2v9j h MET 410 N -0.61 1.18 -0.39 2.37 2.86 -1.33 -0.33 114.93 118.68 2v9j h MET 410 Ca -0.04 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 2v9j h MET 410 Cb 0.51 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 2v9j h MET 410 CO 0.03 0.78 -0.03 0.00 1.06 0.00 0.00 176.91 178.74 2v9j h ALA 411 N 1.44 0.53 -0.07 6.32 0.00 -0.95 -2.58 119.26 123.96 2v9j h ALA 411 Ca 0.33 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2v9j h ALA 411 Cb -0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2v9j h ALA 411 CO -0.07 0.34 -0.44 0.93 0.00 0.00 0.00 179.25 180.00 2v9j h GLU 412 N 0.53 0.16 -0.29 0.00 4.39 -0.11 -1.64 114.58 117.62 2v9j h GLU 412 Ca 0.11 -0.08 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 2v9j h GLU 412 Cb 0.52 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2v9j h GLU 412 CO 0.03 0.58 -0.30 -0.39 -1.16 0.00 0.00 179.01 177.76 2v9j h VAL 413 N 0.13 1.28 -0.39 3.13 -1.51 -1.02 -1.33 116.25 116.55 2v9j h VAL 413 Ca 0.01 -1.41 -0.04 0.00 -1.23 0.00 0.00 66.70 64.03 2v9j h VAL 413 Cb 0.84 1.38 -0.02 0.00 -2.13 0.00 0.00 31.29 31.37 2v9j h VAL 413 CO 0.07 0.45 0.09 0.00 -1.23 0.00 0.00 177.57 176.94 2v9j h ARG 415 N 0.49 1.09 -0.32 0.00 2.43 -1.27 -2.17 114.38 114.63 2v9j h ARG 415 Ca 0.12 -0.21 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2v9j h ARG 415 Cb 0.32 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2v9j h ARG 415 CO 0.00 0.91 0.19 0.00 -1.51 0.00 0.00 179.97 179.56 2v9j h ALA 416 N 1.13 0.40 -0.21 2.80 0.00 -0.77 -0.72 119.26 121.89 2v9j h ALA 416 Ca 0.24 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.19 2v9j h ALA 416 Cb 0.24 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 2v9j h ALA 416 CO -0.02 -0.17 -0.15 0.82 0.00 0.00 0.00 179.25 179.74 2v9j h ILE 417 N 0.39 0.57 -0.51 0.00 2.04 -0.41 -1.67 117.51 117.92 2v9j h ILE 417 Ca 0.13 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 2v9j h ILE 417 Cb -0.01 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 2v9j h ILE 417 CO -0.05 0.00 0.17 0.50 0.00 0.00 0.00 178.15 178.76 2v9j h LYS 418 N -0.15 0.79 -0.95 2.37 3.64 -1.20 -2.15 116.57 118.93 2v9j h LYS 418 Ca 0.12 -0.17 0.08 0.00 -1.27 0.00 0.00 60.65 59.42 2v9j h LYS 418 Cb 0.33 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 2v9j h LYS 418 CO -0.30 0.73 0.59 0.37 -2.27 0.00 0.00 179.45 178.57 2v9j h GLN 419 N 0.70 1.01 0.00 1.90 5.75 -0.97 -2.21 115.11 121.28 2v9j h GLN 419 Ca 0.17 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 2v9j h GLN 419 Cb 0.26 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.58 2v9j h GLN 419 CO -0.01 0.67 0.00 1.28 -2.65 0.00 0.00 178.83 178.12 2v9j n LEU 420 N -4.59 0.00 -1.32 -2.39 4.32 -0.64 -4.90 117.00 107.48 2v9j n LEU 420 Ca 0.15 0.32 -0.13 0.00 -0.02 0.00 0.00 56.01 56.34 2v9j n LEU 420 Cb 0.23 -0.32 -0.02 0.00 -1.62 0.00 0.00 43.42 41.69 2v9j n LEU 420 CO 0.30 -0.02 -0.15 0.47 -1.22 0.00 0.00 177.39 176.78 2v9j n ASP 421 N -1.32 -4.10 -4.90 -1.43 8.00 -0.83 -5.03 116.55 106.94 2v9j n ASP 421 Ca 0.12 0.07 -0.28 0.00 0.71 0.00 0.00 54.79 55.41 2v9j n ASP 421 Cb 0.25 -3.16 0.02 0.00 -0.02 0.00 0.00 41.12 38.20 2v9j n ASP 421 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2v9j s TYR 422 N -2.59 3.48 0.08 1.24 4.12 -0.88 -4.77 117.35 118.03 2v9j s TYR 422 Ca 0.00 0.92 0.07 0.00 0.02 0.00 0.00 57.07 58.09 2v9j s TYR 422 Cb 0.00 -2.60 -0.04 0.00 -1.52 0.00 0.00 41.96 37.80 2v9j s TYR 422 CO 0.00 -0.62 -0.14 -1.83 0.02 0.00 0.00 175.55 172.98 2v9j s GLU 423 N -4.99 2.04 0.10 -0.62 -1.05 0.45 -4.58 118.70 110.06 2v9j s GLU 423 Ca 0.52 -1.04 -0.04 0.00 -0.15 0.00 0.00 54.97 54.26 2v9j s GLU 423 Cb -0.11 -2.23 -0.02 0.00 -0.44 0.00 0.00 34.13 31.33 2v9j s GLU 423 CO 0.48 0.52 0.11 1.67 0.95 0.00 0.00 175.26 178.99 2v9j s TRP 424 N -1.10 0.51 -0.02 4.83 -2.14 -1.26 -0.26 118.94 119.51 2v9j s TRP 424 Ca 0.18 -0.94 0.02 0.00 2.66 0.00 0.00 56.10 58.01 2v9j s TRP 424 Cb -0.11 -0.27 0.01 0.00 -3.10 0.00 0.00 33.47 30.00 2v9j s TRP 424 CO 0.10 -0.53 -0.05 0.15 -2.66 0.00 0.00 176.95 173.96 2v9j s LYS 425 N -3.95 0.57 -0.55 3.25 1.02 -0.25 -5.01 119.74 114.82 2v9j s LYS 425 Ca 0.13 -0.16 -0.21 0.00 0.02 0.00 0.00 55.97 55.76 2v9j s LYS 425 Cb 0.06 -0.57 0.06 0.00 -0.52 0.00 0.00 37.83 36.86 2v9j s LYS 425 CO -0.05 0.05 0.76 0.08 -0.92 0.00 0.00 175.35 175.27 2v9j s VAL 426 N 0.26 4.67 -0.05 3.17 1.01 -1.26 -1.96 120.40 126.25 2v9j s VAL 426 Ca -0.03 -0.36 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 2v9j s VAL 426 Cb -0.07 -4.44 -0.11 0.00 0.00 0.00 0.00 36.38 31.77 2v9j s VAL 426 CO -0.00 -1.02 0.65 0.58 0.00 0.00 0.00 175.10 175.31 2v9j h VAL 427 N 5.92 0.38 -2.45 2.92 2.07 -1.59 -3.48 116.25 120.03 2v9j h VAL 427 Ca -0.28 -0.91 -0.53 0.00 0.82 0.00 0.00 66.70 65.81 2v9j h VAL 427 Cb 1.09 0.65 -0.14 0.00 -1.52 0.00 0.00 31.29 31.37 2v9j h VAL 427 CO 1.04 0.10 -0.69 0.20 0.02 0.00 0.00 177.57 178.25 2v9j s ASN 428 N -5.26 3.06 0.65 0.57 0.01 -0.98 -4.97 114.94 108.02 2v9j s ASN 428 Ca -0.09 -1.17 0.28 0.00 -0.71 0.00 0.00 52.86 51.17 2v9j s ASN 428 Cb 0.00 -0.22 1.50 0.00 0.41 0.00 0.00 41.25 42.95 2v9j s ASN 428 CO 0.31 -0.26 1.84 -0.65 -1.51 0.00 0.00 177.10 176.83 2v9j h PRO 429 N 2.23 0.00 0.00 -0.60 0.11 -2.02 -2.36 132.00 129.36 2v9j h PRO 429 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2v9j h PRO 429 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2v9j h PRO 429 CO 0.67 0.00 -0.01 0.66 -0.21 0.00 0.00 178.00 179.11 2v9j n TYR 430 N -2.83 0.00 -3.67 0.65 4.02 -1.26 -4.95 117.16 109.12 2v9j n TYR 430 Ca -0.02 -0.86 -0.17 0.00 -0.01 0.00 0.00 57.90 56.84 2v9j n TYR 430 Cb 0.41 -0.13 -0.16 0.00 -0.02 0.00 0.00 39.34 39.45 2v9j n TYR 430 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 2v9j s TYR 431 N -2.39 -0.15 -0.06 -0.72 5.04 -0.89 -1.68 117.35 116.50 2v9j s TYR 431 Ca 0.24 0.56 0.03 0.00 -2.44 0.00 0.00 57.07 55.47 2v9j s TYR 431 Cb 0.21 -0.29 0.01 0.00 0.35 0.00 0.00 41.96 42.24 2v9j s TYR 431 CO 0.02 -0.26 -0.15 -0.51 -1.34 0.00 0.00 175.55 173.31 2v9j s LEU 432 N 2.28 1.81 -0.15 6.97 1.43 0.39 -1.32 118.68 130.08 2v9j s LEU 432 Ca 0.03 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 52.64 2v9j s LEU 432 Cb -0.12 -0.94 -0.05 0.00 0.03 0.00 0.00 46.19 45.11 2v9j s LEU 432 CO -0.05 0.09 0.32 -0.13 0.23 0.00 0.00 176.35 176.81 2v9j s ARG 433 N 0.38 4.26 0.09 1.70 3.00 -0.83 0.35 118.95 127.90 2v9j s ARG 433 Ca -0.11 0.15 0.06 0.00 0.00 0.00 0.00 55.73 55.83 2v9j s ARG 433 Cb -0.14 -3.42 -0.03 0.00 0.00 0.00 0.00 34.95 31.35 2v9j s ARG 433 CO 0.04 0.23 -0.15 0.14 0.00 0.00 0.00 175.30 175.56 2v9j s VAL 434 N 0.47 1.28 0.01 3.52 -7.23 0.27 -1.09 120.40 117.64 2v9j s VAL 434 Ca 0.18 -1.46 0.01 0.00 -1.81 0.00 0.00 61.98 58.90 2v9j s VAL 434 Cb -0.13 -1.28 -0.01 0.00 0.56 0.00 0.00 36.38 35.52 2v9j s VAL 434 CO 0.05 -0.24 -0.03 -0.60 -0.31 0.00 0.00 175.10 173.97 2v9j s ARG 435 N -2.01 0.25 -0.02 4.82 3.52 0.65 -1.16 118.95 124.99 2v9j s ARG 435 Ca 0.02 -0.28 0.01 0.00 -0.13 0.00 0.00 55.73 55.35 2v9j s ARG 435 Cb -0.09 -0.12 0.02 0.00 -1.56 0.00 0.00 34.95 33.19 2v9j s ARG 435 CO 0.03 0.03 -0.02 0.50 -0.81 0.00 0.00 175.30 175.03 2v9j s ARG 436 N -0.54 0.36 -0.17 5.12 3.00 0.29 -0.41 118.95 126.60 2v9j s ARG 436 Ca -0.04 -0.02 -0.16 0.00 -1.00 0.00 0.00 55.73 54.51 2v9j s ARG 436 Cb -0.04 -0.46 -0.04 0.00 0.00 0.00 0.00 34.95 34.41 2v9j s ARG 436 CO -0.00 -0.05 0.38 0.21 0.00 0.00 0.00 175.30 175.84 2v9j s LYS 437 N 0.61 4.24 -0.48 5.12 2.20 -1.26 -1.25 119.74 128.92 2v9j s LYS 437 Ca -0.06 0.22 -0.28 0.00 -0.36 0.00 0.00 55.97 55.48 2v9j s LYS 437 Cb -0.09 -3.48 0.01 0.00 -1.51 0.00 0.00 37.83 32.76 2v9j s LYS 437 CO -0.01 0.10 1.37 1.21 -0.36 0.00 0.00 175.35 177.67 2v9j s ASN 438 N 0.75 6.30 0.09 1.43 3.84 0.13 -4.89 114.94 122.59 2v9j s ASN 438 Ca 0.20 0.57 0.06 0.00 0.21 0.00 0.00 52.86 53.90 2v9j s ASN 438 Cb -0.14 -2.54 0.32 0.00 -0.55 0.00 0.00 41.25 38.33 2v9j s ASN 438 CO 0.07 -1.51 1.18 -0.81 -2.79 0.00 0.00 177.10 173.23 2v9j n PRO 439 N 8.26 0.04 -0.10 0.43 -0.04 -1.26 0.11 135.00 142.45 2v9j n PRO 439 Ca 0.14 0.53 -0.20 0.00 -0.04 0.00 0.00 63.50 63.94 2v9j n PRO 439 Cb 0.49 -1.63 -0.07 0.00 -0.04 0.00 0.00 33.50 32.25 2v9j n PRO 439 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2v9j n VAL 440 N -1.70 1.24 0.09 0.52 0.31 -1.26 -4.77 118.33 112.75 2v9j n VAL 440 Ca -0.00 -0.19 0.06 0.00 -0.01 0.00 0.00 64.34 64.19 2v9j n VAL 440 Cb 0.01 -1.88 -0.02 0.00 -0.91 0.00 0.00 33.84 31.05 2v9j n VAL 440 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2v9j h THR 441 N -0.77 0.32 -0.31 2.52 2.02 -1.89 -3.48 112.91 111.32 2v9j h THR 441 Ca -0.43 -1.57 -0.13 0.00 0.77 0.00 0.00 66.41 65.05 2v9j h THR 441 Cb 1.32 1.88 -0.05 0.00 -1.74 0.00 0.00 68.15 69.56 2v9j h THR 441 CO -0.26 0.18 -0.12 -1.20 0.37 0.00 0.00 175.52 174.49 2v9j n SER 442 N -2.87 -3.95 -4.95 4.18 7.64 0.12 -5.01 113.62 108.77 2v9j n SER 442 Ca -0.03 0.16 -0.23 0.00 1.01 0.00 0.00 58.87 59.77 2v9j n SER 442 Cb 0.69 -2.02 0.01 0.00 -1.01 0.00 0.00 64.21 61.87 2v9j n SER 442 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2v9j s THR 443 N -2.18 4.28 -0.07 0.44 -4.23 -1.26 -4.75 115.64 107.87 2v9j s THR 443 Ca 0.00 -0.46 0.02 0.00 -1.18 0.00 0.00 61.69 60.07 2v9j s THR 443 Cb 0.00 -3.58 -0.02 0.00 1.34 0.00 0.00 72.50 70.24 2v9j s THR 443 CO 0.00 -0.41 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.19 2v9j s PHE 444 N -2.51 2.78 -0.02 3.99 0.40 -1.26 0.20 117.98 121.55 2v9j s PHE 444 Ca 0.46 -0.23 0.06 0.00 -0.60 0.00 0.00 56.93 56.62 2v9j s PHE 444 Cb -0.10 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.72 2v9j s PHE 444 CO 0.38 0.12 -0.20 -1.12 0.70 0.00 0.00 175.22 175.10 2v9j s SER 445 N -0.47 2.37 0.01 1.36 0.01 -0.38 -4.95 113.70 111.64 2v9j s SER 445 Ca 0.06 -0.37 0.08 0.00 1.31 0.00 0.00 55.95 57.03 2v9j s SER 445 Cb -0.12 -0.37 -0.02 0.00 0.21 0.00 0.00 66.02 65.71 2v9j s SER 445 CO 0.02 0.23 -0.25 -0.54 0.41 0.00 0.00 173.24 173.10 2v9j s LYS 446 N -0.34 1.92 0.20 12.44 1.02 -1.26 -0.54 119.74 133.17 2v9j s LYS 446 Ca 0.05 -0.98 -0.11 0.00 0.02 0.00 0.00 55.97 54.95 2v9j s LYS 446 Cb -0.09 -1.95 -0.00 0.00 -0.52 0.00 0.00 37.83 35.27 2v9j s LYS 446 CO 0.00 0.52 0.38 0.00 -0.92 0.00 0.00 175.35 175.34 2v9j s MET 447 N -0.85 1.33 -0.06 1.68 0.23 -0.31 -1.80 119.30 119.51 2v9j s MET 447 Ca 0.10 -1.18 0.04 0.00 -1.03 0.00 0.00 55.69 53.62 2v9j s MET 447 Cb -0.10 0.43 -0.02 0.00 -1.53 0.00 0.00 34.83 33.61 2v9j s MET 447 CO 0.00 -0.52 -0.17 -1.12 -2.03 0.00 0.00 175.02 171.18 2v9j s SER 448 N -2.98 3.79 -0.13 -1.18 0.01 0.84 -0.57 113.70 113.49 2v9j s SER 448 Ca 0.19 -0.29 -0.01 0.00 1.31 0.00 0.00 55.95 57.15 2v9j s SER 448 Cb 0.01 -0.91 -0.02 0.00 0.21 0.00 0.00 66.02 65.32 2v9j s SER 448 CO 0.03 0.30 -0.11 -0.76 0.41 0.00 0.00 173.24 173.12 2v9j s LEU 449 N -0.47 2.85 -0.05 2.44 1.02 0.16 -1.46 118.68 123.17 2v9j s LEU 449 Ca 0.06 -0.26 0.01 0.00 0.02 0.00 0.00 54.13 53.95 2v9j s LEU 449 Cb -0.12 -1.65 0.02 0.00 0.02 0.00 0.00 46.19 44.47 2v9j s LEU 449 CO 0.02 0.19 -0.04 -1.58 0.02 0.00 0.00 176.35 174.96 2v9j s GLN 450 N 0.23 0.77 -0.15 1.70 2.00 -0.44 -0.47 119.66 123.29 2v9j s GLN 450 Ca -0.07 -0.07 -0.09 0.00 -2.00 0.00 0.00 55.36 53.14 2v9j s GLN 450 Cb -0.15 -0.84 -0.05 0.00 0.80 0.00 0.00 33.01 32.78 2v9j s GLN 450 CO 0.05 -0.12 0.15 -1.17 -0.50 0.00 0.00 175.29 173.70 2v9j s LEU 451 N 1.07 4.31 0.14 3.68 2.96 -0.68 -0.46 118.68 129.70 2v9j s LEU 451 Ca -0.09 0.38 0.09 0.00 -0.22 0.00 0.00 54.13 54.29 2v9j s LEU 451 Cb -0.14 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 2v9j s LEU 451 CO -0.01 0.29 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.80 2v9j s TYR 452 N -0.34 1.89 -0.12 5.38 1.51 -0.26 -4.96 117.35 120.44 2v9j s TYR 452 Ca 0.12 -0.43 -0.18 0.00 -1.01 0.00 0.00 57.07 55.57 2v9j s TYR 452 Cb -0.12 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 2v9j s TYR 452 CO 0.02 0.30 0.45 -1.14 -1.11 0.00 0.00 175.55 174.07 2v9j s GLN 453 N -2.42 4.33 -0.00 -0.62 0.74 -1.26 -0.96 119.66 119.46 2v9j s GLN 453 Ca 0.13 0.40 0.02 0.00 0.05 0.00 0.00 55.36 55.96 2v9j s GLN 453 Cb -0.08 -3.44 -0.03 0.00 1.10 0.00 0.00 33.01 30.57 2v9j s GLN 453 CO 0.06 0.16 0.04 1.33 -0.55 0.00 0.00 175.29 176.33 2v9j n VAL 454 N 3.68 0.00 -4.20 1.34 0.24 -0.38 -4.94 118.33 114.07 2v9j n VAL 454 Ca -0.08 -0.08 -0.13 0.00 -2.04 0.00 0.00 64.34 62.01 2v9j n VAL 454 Cb 0.52 0.51 -0.09 0.00 -1.47 0.00 0.00 33.84 33.30 2v9j n VAL 454 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2v9j s ASP 455 N -2.10 0.47 0.54 -1.34 1.01 -0.60 -4.93 116.67 109.71 2v9j s ASP 455 Ca -0.01 -1.45 0.22 0.00 0.71 0.00 0.00 52.55 52.03 2v9j s ASP 455 Cb 0.01 0.43 1.45 0.00 1.01 0.00 0.00 42.92 45.83 2v9j s ASP 455 CO 0.07 -0.91 2.15 0.77 0.21 0.00 0.00 175.17 177.46 2v9j h SER 456 N 2.49 0.00 0.00 0.27 4.64 -2.04 -3.10 113.55 115.82 2v9j h SER 456 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2v9j h SER 456 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2v9j h SER 456 CO 0.48 0.00 -1.47 0.54 -0.87 0.00 0.00 176.83 175.52 2v9j n ARG 457 N -4.28 0.77 -5.29 4.77 1.74 -1.26 -5.03 116.66 108.08 2v9j n ARG 457 Ca -0.01 -0.11 -0.31 0.00 -0.77 0.00 0.00 57.85 56.66 2v9j n ARG 457 Cb 0.18 -1.30 -0.16 0.00 -1.02 0.00 0.00 32.46 30.16 2v9j n ARG 457 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2v9j s THR 458 N -2.84 2.04 0.32 0.55 2.01 -1.17 -4.45 115.64 112.09 2v9j s THR 458 Ca -0.03 -1.09 0.07 0.00 0.31 0.00 0.00 61.69 60.95 2v9j s THR 458 Cb 0.09 -1.70 -0.06 0.00 0.01 0.00 0.00 72.50 70.83 2v9j s THR 458 CO 0.57 0.57 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.71 2v9j s TYR 459 N -0.44 2.18 -0.10 4.92 1.51 0.20 -1.24 117.35 124.38 2v9j s TYR 459 Ca 0.05 -0.65 -0.03 0.00 -1.01 0.00 0.00 57.07 55.43 2v9j s TYR 459 Cb -0.11 -1.31 0.04 0.00 -0.11 0.00 0.00 41.96 40.47 2v9j s TYR 459 CO 0.01 0.38 0.06 -1.17 -1.11 0.00 0.00 175.55 173.72 2v9j s LEU 460 N -3.54 0.34 -0.09 -1.29 1.98 -0.14 -1.09 118.68 114.85 2v9j s LEU 460 Ca 0.32 -0.24 -0.20 0.00 -2.89 0.00 0.00 54.13 51.11 2v9j s LEU 460 Cb 0.05 -0.24 -0.04 0.00 0.66 0.00 0.00 46.19 46.61 2v9j s LEU 460 CO 0.15 -0.28 0.58 -0.22 -1.89 0.00 0.00 176.35 174.68 2v9j s LEU 461 N 2.11 4.30 -0.05 -0.68 2.96 0.49 -1.10 118.68 126.72 2v9j s LEU 461 Ca 0.04 0.99 0.05 0.00 -0.22 0.00 0.00 54.13 54.99 2v9j s LEU 461 Cb -0.14 -2.87 -0.00 0.00 0.50 0.00 0.00 46.19 43.68 2v9j s LEU 461 CO -0.06 -0.04 -0.20 -0.62 -1.32 0.00 0.00 176.35 174.11 2v9j s ASP 462 N 0.63 2.51 -0.09 3.68 2.15 0.39 -1.98 116.67 123.96 2v9j s ASP 462 Ca 0.31 -0.42 0.04 0.00 0.43 0.00 0.00 52.55 52.91 2v9j s ASP 462 Cb -0.16 -0.76 -0.01 0.00 -0.30 0.00 0.00 42.92 41.69 2v9j s ASP 462 CO 0.14 0.18 -0.20 -0.36 -0.17 0.00 0.00 175.17 174.76 2v9j s PHE 463 N 0.03 2.61 -0.05 -5.34 0.40 -1.26 -1.33 117.98 113.04 2v9j s PHE 463 Ca -0.06 -0.68 0.01 0.00 -0.60 0.00 0.00 56.93 55.60 2v9j s PHE 463 Cb -0.13 -1.70 0.02 0.00 0.51 0.00 0.00 43.02 41.72 2v9j s PHE 463 CO 0.03 -0.20 -0.06 0.50 0.70 0.00 0.00 175.22 176.20 2v9j s ARG 464 N 0.00 0.96 0.44 0.44 3.52 -0.53 -4.96 118.95 118.82 2v9j s ARG 464 Ca -0.07 -0.15 -0.21 0.00 -0.13 0.00 0.00 55.73 55.18 2v9j s ARG 464 Cb -0.15 -0.93 -0.11 0.00 -1.56 0.00 0.00 34.95 32.21 2v9j s ARG 464 CO 0.05 -0.07 0.96 -1.54 -0.81 0.00 0.00 175.30 173.89 2v9j s SER 465 N 0.90 6.86 -0.17 -2.12 1.04 -1.26 -0.11 113.70 118.84 2v9j s SER 465 Ca -0.11 1.70 0.00 0.00 0.48 0.00 0.00 55.95 58.03 2v9j s SER 465 Cb -0.14 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.44 2v9j s SER 465 CO 0.00 -0.42 -0.17 -0.63 0.98 0.00 0.00 173.24 173.01 2v9j s ILE 466 N -2.20 2.40 0.73 -1.02 1.01 -0.75 -4.88 121.20 116.50 2v9j s ILE 466 Ca 0.62 -0.84 -0.12 0.00 0.00 0.00 0.00 60.65 60.31 2v9j s ILE 466 Cb -0.10 -2.01 0.04 0.00 0.01 0.00 0.00 42.46 40.40 2v9j s ILE 466 CO 0.15 0.52 1.09 -1.81 0.00 0.00 0.00 174.94 174.90 2v9j s ASP 467 N 1.08 4.73 0.50 3.58 1.01 -1.26 -4.54 116.67 121.76 2v9j s ASP 467 Ca -0.00 1.86 -0.15 0.00 0.71 0.00 0.00 52.55 54.97 2v9j s ASP 467 Cb -0.14 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.19 2v9j s ASP 467 CO -0.06 -1.88 0.94 -1.81 0.21 0.00 0.00 175.17 172.57 2v9j s ASP 468 N -3.17 6.57 0.00 0.27 -0.00 -1.26 -5.06 116.67 114.01 2v9j s ASP 468 Ca 0.63 1.45 0.00 0.00 -0.00 0.00 0.00 52.55 54.63 2v9j s ASP 468 Cb -0.18 -2.46 0.00 0.00 -0.00 0.00 0.00 42.92 40.28 2v9j s ASP 468 CO 0.52 -0.57 0.00 -1.84 -0.00 0.00 0.00 175.17 173.28 2v9j n GLU 469 N -1.61 0.00 0.00 8.23 0.28 -1.26 -5.28 120.64 120.99 2v9j n GLU 469 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 2v9j n GLU 469 Cb 0.54 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.41 2v9j n GLU 469 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2v9j n VAL 524 N 0.00 0.00 -4.17 3.84 0.31 -1.26 -5.26 118.33 111.79 2v9j n VAL 524 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 2v9j n VAL 524 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 2v9j n VAL 524 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2v9j s ALA 525 N 0.00 3.51 -0.05 3.52 0.00 -1.26 -5.07 121.76 122.41 2v9j s ALA 525 Ca 0.00 -0.82 -0.20 0.00 0.00 0.00 0.00 51.96 50.94 2v9j s ALA 525 Cb 0.00 -1.59 -0.15 0.00 0.00 0.00 0.00 23.12 21.38 2v9j s ALA 525 CO 0.00 0.64 0.82 -1.00 0.00 0.00 0.00 175.76 176.22 2v9j h PRO 526 N 4.59 -0.22 -2.80 0.00 0.13 -2.13 -3.50 132.00 128.08 2v9j h PRO 526 Ca -0.51 0.01 0.33 0.00 -0.87 0.00 0.00 66.00 64.97 2v9j h PRO 526 Cb 1.19 0.05 -0.09 0.00 0.13 0.00 0.00 31.00 32.28 2v9j h PRO 526 CO 0.59 0.19 -0.52 -2.13 -0.23 0.00 0.00 178.00 175.90 2v9j n ARG 527 N -4.93 -2.52 -1.55 0.86 3.00 -1.26 -4.94 116.66 105.33 2v9j n ARG 527 Ca -0.07 1.71 -0.46 0.00 -0.00 0.00 0.00 57.85 59.02 2v9j n ARG 527 Cb 0.26 -3.07 -0.02 0.00 0.00 0.00 0.00 32.46 29.62 2v9j n ARG 527 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2v9j n PRO 528 N -3.74 1.03 0.00 -0.14 -0.02 -1.26 -4.95 135.00 125.93 2v9j n PRO 528 Ca -0.00 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2v9j n PRO 528 Cb 0.65 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 2v9j n PRO 528 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2v9j n GLY 529 N 1.55 2.92 3.37 -1.23 0.00 -1.26 -5.09 105.19 105.45 2v9j n GLY 529 Ca 0.13 -1.47 0.02 0.00 0.00 0.00 0.00 46.02 44.70 2v9j n GLY 529 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2v9j s SER 530 N 0.00 -1.15 0.15 1.61 0.15 -1.26 -5.06 113.70 108.13 2v9j s SER 530 Ca 0.00 1.11 -0.17 0.00 0.70 0.00 0.00 55.95 57.59 2v9j s SER 530 Cb 0.00 2.12 0.02 0.00 -1.71 0.00 0.00 66.02 66.45 2v9j s SER 530 CO 0.00 -0.22 1.77 -0.74 1.20 0.00 0.00 173.24 175.25 2v9j h HIS 531 N 7.95 0.28 -0.32 3.44 2.76 -1.99 0.90 115.15 128.18 2v9j h HIS 531 Ca -0.20 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 57.99 2v9j h HIS 531 Cb 1.13 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 30.00 2v9j h HIS 531 CO 0.13 0.15 0.19 1.15 -1.30 0.00 0.00 177.93 178.25 2v9j h THR 532 N 0.32 1.12 -0.35 6.26 2.02 -2.00 -1.15 112.91 119.14 2v9j h THR 532 Ca 0.14 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 2v9j h THR 532 Cb 0.06 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 2v9j h THR 532 CO -0.11 0.12 -0.20 0.40 0.37 0.00 0.00 175.52 176.10 2v9j h ILE 533 N 0.41 1.26 -0.18 3.11 1.08 -1.92 -2.68 117.51 118.59 2v9j h ILE 533 Ca 0.11 -1.25 -0.09 0.00 -0.39 0.00 0.00 64.86 63.24 2v9j h ILE 533 Cb 0.02 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 2v9j h ILE 533 CO -0.02 0.41 -0.29 -0.33 -0.69 0.00 0.00 178.15 177.23 2v9j h GLU 534 N 0.58 0.36 -0.20 2.37 5.08 -0.56 -2.08 114.58 120.13 2v9j h GLU 534 Ca 0.09 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2v9j h GLU 534 Cb 0.66 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2v9j h GLU 534 CO 0.05 0.62 0.13 0.35 -1.00 0.00 0.00 179.01 179.16 2v9j h PHE 535 N 0.31 0.25 -0.94 4.33 3.57 -1.06 -1.12 116.94 122.29 2v9j h PHE 535 Ca 0.04 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.59 2v9j h PHE 535 Cb 0.68 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.28 2v9j h PHE 535 CO 0.02 0.17 0.62 0.74 -2.23 0.00 0.00 178.31 177.62 2v9j h PHE 536 N 0.27 1.14 -0.32 0.41 0.05 -1.10 -1.63 116.94 115.75 2v9j h PHE 536 Ca 0.07 0.03 -0.17 0.00 3.82 0.00 0.00 57.97 61.72 2v9j h PHE 536 Cb -0.02 -0.38 -0.00 0.00 2.00 0.00 0.00 35.95 37.55 2v9j h PHE 536 CO -0.06 0.64 -0.49 0.93 -0.18 0.00 0.00 178.31 179.15 2v9j h GLU 537 N 1.16 0.87 -0.10 1.51 5.08 -1.09 0.61 114.58 122.62 2v9j h GLU 537 Ca 0.38 -0.52 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2v9j h GLU 537 Cb 0.06 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2v9j h GLU 537 CO -0.12 1.16 -0.10 0.52 -1.00 0.00 0.00 179.01 179.47 2v9j h MET 538 N 0.69 -0.12 0.02 2.33 2.86 -0.92 0.20 114.93 120.00 2v9j h MET 538 Ca 0.03 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 2v9j h MET 538 Cb 1.09 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.73 2v9j h MET 538 CO 0.11 -0.08 -0.23 0.00 1.06 0.00 0.00 176.91 177.77 2v9j h ALA 540 N 0.46 0.89 0.23 0.00 0.00 -0.58 0.64 119.26 120.89 2v9j h ALA 540 Ca 0.06 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2v9j h ALA 540 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2v9j h ALA 540 CO -0.20 -0.10 -0.11 -0.91 0.00 0.00 0.00 179.25 177.93 2v9j h ASN 541 N 0.53 -0.26 -0.64 0.00 2.35 -0.09 -1.23 115.58 116.23 2v9j h ASN 541 Ca 0.33 -0.13 0.13 0.00 -0.55 0.00 0.00 56.30 56.08 2v9j h ASN 541 Cb 0.36 0.07 -0.11 0.00 0.05 0.00 0.00 38.32 38.69 2v9j h ASN 541 CO -0.28 -0.02 0.02 -0.07 -1.65 0.00 0.00 177.43 175.44 2v9j h LEU 542 N -0.50 -0.24 -0.01 1.61 3.38 -0.24 -1.58 115.31 117.73 2v9j h LEU 542 Ca -0.03 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2v9j h LEU 542 Cb 0.37 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2v9j h LEU 542 CO 0.05 -0.11 0.00 0.40 0.09 0.00 0.00 178.44 178.87 2v9j h ILE 543 N 0.14 1.22 -0.75 1.22 2.04 -0.74 -3.07 117.51 117.57 2v9j h ILE 543 Ca 0.34 -0.64 0.05 0.00 1.00 0.00 0.00 64.86 65.61 2v9j h ILE 543 Cb 0.55 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 2v9j h ILE 543 CO -0.53 0.17 0.49 0.50 0.00 0.00 0.00 178.15 178.77 2v9j h LYS 544 N -0.25 0.84 -0.22 2.37 3.64 -0.96 0.84 116.57 122.83 2v9j h LYS 544 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2v9j h LYS 544 Cb 0.27 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2v9j h LYS 544 CO 0.00 0.56 0.00 -0.89 -2.27 0.00 0.00 179.45 176.85 2v9j n ILE 545 N -4.46 0.28 -0.27 2.00 2.08 -0.62 -4.16 119.36 114.20 2v9j n ILE 545 Ca 0.10 -0.38 0.00 0.00 0.56 0.00 0.00 62.75 63.03 2v9j n ILE 545 Cb 0.16 0.34 0.00 0.00 -0.75 0.00 0.00 39.64 39.38 2v9j n ILE 545 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2v9j n LEU 546 N 0.38 0.00 -4.59 1.39 -0.00 -1.02 -4.55 117.00 108.61 2v9j n LEU 546 Ca 0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.86 2v9j n LEU 546 Cb 0.32 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.64 2v9j n LEU 546 CO 0.12 0.00 -0.41 0.00 -0.00 0.00 0.00 177.39 177.10 2v9j s ALA 547 N 0.00 3.00 0.00 1.47 0.00 0.26 -4.90 121.76 121.58 2v9j s ALA 547 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2v9j s ALA 547 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.15 2v9j s ALA 547 CO 0.00 0.64 0.00 0.94 0.00 0.00 0.00 175.76 177.34