#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkg n PRO 371 N 0.00 2.32 -1.99 0.00 -0.02 -1.26 -4.92 135.00 129.14 1jkg n PRO 371 Ca 0.00 0.83 -0.41 0.00 -2.02 0.00 0.00 63.50 61.90 1jkg n PRO 371 Cb 0.00 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 30.92 1jkg n PRO 371 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1jkg s PRO 372 N -0.35 4.26 0.18 0.52 0.02 -1.26 -4.95 135.00 133.41 1jkg s PRO 372 Ca 0.67 2.34 -0.30 0.00 0.02 0.00 0.00 61.00 63.73 1jkg s PRO 372 Cb -0.59 -3.08 -0.08 0.00 0.02 0.00 0.00 34.50 30.78 1jkg s PRO 372 CO 0.48 -0.40 1.21 0.00 -0.33 0.00 0.00 177.00 177.96 1jkg s LYS 374 N -0.21 1.96 0.00 0.00 1.02 -1.26 -5.16 119.74 116.09 1jkg s LYS 374 Ca 0.53 -2.11 0.00 0.00 0.02 0.00 0.00 55.97 54.41 1jkg s LYS 374 Cb -0.33 -1.63 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 1jkg s LYS 374 CO 0.37 -0.05 0.00 0.41 -0.92 0.00 0.00 175.35 175.15 1jkg n GLY 375 N -0.97 0.69 3.56 -3.33 0.00 -1.26 -4.97 105.19 98.91 1jkg n GLY 375 Ca -0.05 -1.49 -0.46 0.00 0.00 0.00 0.00 46.02 44.02 1jkg n GLY 375 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jkg n SER 376 N 0.00 0.94 -4.09 1.61 7.64 -1.26 -4.92 113.62 113.54 1jkg n SER 376 Ca 0.00 1.17 -0.32 0.00 1.01 0.00 0.00 58.87 60.72 1jkg n SER 376 Cb 0.00 -1.23 -0.15 0.00 -1.01 0.00 0.00 64.21 61.82 1jkg n SER 376 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1jkg s TYR 377 N -0.90 3.21 -0.14 1.43 5.04 0.56 -4.94 117.35 121.60 1jkg s TYR 377 Ca 0.62 -2.19 0.15 0.00 -2.44 0.00 0.00 57.07 53.20 1jkg s TYR 377 Cb -0.76 -1.95 -0.22 0.00 0.35 0.00 0.00 41.96 39.38 1jkg s TYR 377 CO 0.58 -0.86 0.38 1.19 -1.34 0.00 0.00 175.55 175.50 1jkg n PHE 378 N 4.47 0.00 0.00 4.97 3.01 -1.26 -0.57 117.46 128.08 1jkg n PHE 378 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.31 1jkg n PHE 378 Cb 0.43 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.63 1jkg n PHE 378 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jkg n GLY 379 N 1.60 1.70 3.14 1.37 0.00 -1.26 -4.56 105.19 107.18 1jkg n GLY 379 Ca -0.02 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1jkg n GLY 379 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jkg s THR 380 N 0.00 0.61 0.24 2.61 -4.23 -1.26 -5.05 115.64 108.55 1jkg s THR 380 Ca 0.00 -1.75 -0.05 0.00 -1.18 0.00 0.00 61.69 58.71 1jkg s THR 380 Cb 0.00 -1.45 0.14 0.00 1.34 0.00 0.00 72.50 72.53 1jkg s THR 380 CO 0.00 -0.79 1.78 -0.33 -0.54 0.00 0.00 174.62 174.73 1jkg h GLU 381 N 3.28 1.02 -0.70 3.99 4.39 -1.99 -1.63 114.58 122.94 1jkg h GLU 381 Ca -0.35 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.10 1jkg h GLU 381 Cb 1.17 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.64 1jkg h GLU 381 CO 0.60 0.89 0.31 -0.91 -1.16 0.00 0.00 179.01 178.74 1jkg h ASN 382 N 0.98 0.94 0.10 1.42 2.35 -1.97 -1.12 115.58 118.29 1jkg h ASN 382 Ca 0.21 -0.15 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 1jkg h ASN 382 Cb 0.30 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1jkg h ASN 382 CO -0.01 0.83 -0.46 -0.07 -1.65 0.00 0.00 177.43 176.08 1jkg h LEU 383 N 0.99 0.46 -0.40 1.61 3.38 -1.82 -0.85 115.31 118.67 1jkg h LEU 383 Ca 0.24 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1jkg h LEU 383 Cb 0.16 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1jkg h LEU 383 CO -0.03 0.85 0.22 0.50 0.09 0.00 0.00 178.44 180.08 1jkg h LYS 384 N 0.34 0.55 -0.38 1.13 3.64 -0.86 0.61 116.57 121.60 1jkg h LYS 384 Ca 0.02 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1jkg h LYS 384 Cb 0.94 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 1jkg h LYS 384 CO 0.08 0.44 0.09 0.77 -2.27 0.00 0.00 179.45 178.56 1jkg h SER 385 N 0.51 0.58 0.41 4.20 0.02 -1.03 -0.93 113.55 117.31 1jkg h SER 385 Ca 0.14 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1jkg h SER 385 Cb 0.05 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1jkg h SER 385 CO -0.02 0.67 -0.20 0.25 -1.14 0.00 0.00 176.83 176.39 1jkg h LEU 386 N 0.47 -0.47 -0.49 5.07 5.85 -0.87 -1.58 115.31 123.29 1jkg h LEU 386 Ca 0.12 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 1jkg h LEU 386 Cb 0.32 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1jkg h LEU 386 CO 0.00 -0.33 -0.16 0.58 -0.34 0.00 0.00 178.44 178.19 1jkg h VAL 387 N -0.55 1.27 -0.40 1.05 2.07 -0.89 -1.69 116.25 117.10 1jkg h VAL 387 Ca -0.06 -1.31 -0.09 0.00 0.82 0.00 0.00 66.70 66.06 1jkg h VAL 387 Cb 0.42 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1jkg h VAL 387 CO 0.09 0.45 -0.12 -0.07 0.02 0.00 0.00 177.57 177.95 1jkg h LEU 388 N 0.83 0.71 -0.30 2.57 3.38 -1.17 -0.55 115.31 120.78 1jkg h LEU 388 Ca 0.12 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1jkg h LEU 388 Cb 0.72 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1jkg h LEU 388 CO 0.06 0.86 0.01 -0.74 0.09 0.00 0.00 178.44 178.71 1jkg h HIS 389 N 0.66 0.56 -0.41 1.13 2.76 -1.18 -1.09 115.15 117.57 1jkg h HIS 389 Ca 0.11 -0.09 0.04 0.00 -2.20 0.00 0.00 60.37 58.23 1jkg h HIS 389 Cb 0.58 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.35 1jkg h HIS 389 CO 0.03 0.65 0.16 0.35 -1.30 0.00 0.00 177.93 177.82 1jkg h PHE 390 N 0.31 0.29 -0.84 5.26 3.57 -1.04 -1.45 116.94 123.05 1jkg h PHE 390 Ca 0.08 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1jkg h PHE 390 Cb 0.42 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 1jkg h PHE 390 CO 0.03 0.13 0.39 -0.07 -2.23 0.00 0.00 178.31 176.56 1jkg h LEU 391 N 0.34 1.11 -0.33 0.59 3.38 -0.92 0.23 115.31 119.72 1jkg h LEU 391 Ca 0.18 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1jkg h LEU 391 Cb 0.14 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1jkg h LEU 391 CO -0.17 0.95 0.17 1.56 0.09 0.00 0.00 178.44 181.04 1jkg h GLN 392 N 1.20 0.46 -0.35 1.13 4.20 -0.75 -0.99 115.11 120.01 1jkg h GLN 392 Ca 0.29 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.84 1jkg h GLN 392 Cb 0.14 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1jkg h GLN 392 CO -0.03 0.40 -0.17 1.96 -0.67 0.00 0.00 178.83 180.32 1jkg h GLN 393 N 0.40 0.74 0.31 1.46 4.20 -0.97 -2.12 115.11 119.13 1jkg h GLN 393 Ca 0.11 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 1jkg h GLN 393 Cb 0.08 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1jkg h GLN 393 CO -0.02 0.93 -0.15 -0.92 -0.67 0.00 0.00 178.83 178.00 1jkg h TYR 394 N 0.52 -0.39 0.00 2.96 3.20 -0.43 -2.94 116.97 119.89 1jkg h TYR 394 Ca 0.08 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1jkg h TYR 394 Cb 0.71 0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.11 1jkg h TYR 394 CO 0.06 -0.24 0.00 1.88 -1.64 0.00 0.00 178.16 178.22 1jkg h TYR 395 N -0.42 0.00 -0.47 -3.82 -1.99 -1.23 0.26 116.97 109.31 1jkg h TYR 395 Ca -0.04 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.60 1jkg h TYR 395 Cb 0.32 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.03 1jkg h TYR 395 CO -0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 178.16 178.03 1jkg h ALA 396 N 2.16 1.00 0.13 3.88 0.00 -1.21 0.08 119.26 125.30 1jkg h ALA 396 Ca 0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 1jkg h ALA 396 Cb 0.59 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.22 1jkg h ALA 396 CO 0.00 0.60 -0.80 0.82 0.00 0.00 0.00 179.25 179.87 1jkg h ILE 397 N 0.75 1.50 -0.93 0.00 2.04 -1.32 -3.10 117.51 116.45 1jkg h ILE 397 Ca 0.13 -2.50 0.09 0.00 1.00 0.00 0.00 64.86 63.58 1jkg h ILE 397 Cb 0.56 3.15 -0.07 0.00 -0.74 0.00 0.00 36.82 39.72 1jkg h ILE 397 CO 0.03 0.71 0.60 0.22 0.00 0.00 0.00 178.15 179.71 1jkg h TYR 398 N -0.34 1.05 -0.26 1.37 3.20 -0.80 -1.78 116.97 119.42 1jkg h TYR 398 Ca -0.14 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1jkg h TYR 398 Cb 1.62 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.55 1jkg h TYR 398 CO 0.19 0.50 0.00 -0.25 -1.64 0.00 0.00 178.16 176.97 1jkg n ASP 399 N -4.53 2.28 0.18 -2.11 8.00 0.00 -4.47 116.55 115.90 1jkg n ASP 399 Ca 0.15 -1.83 0.06 0.00 0.71 0.00 0.00 54.79 53.89 1jkg n ASP 399 Cb 0.26 -0.17 0.23 0.00 -0.02 0.00 0.00 41.12 41.43 1jkg n ASP 399 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1jkg h SER 400 N 2.94 0.00 0.00 -2.24 4.64 -1.23 -3.44 113.55 114.22 1jkg h SER 400 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jkg h SER 400 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1jkg h SER 400 CO 0.00 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 1jkg n GLY 401 N 0.69 1.73 2.81 -0.77 0.00 -1.26 -5.02 105.19 103.36 1jkg n GLY 401 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1jkg n GLY 401 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jkg s ASP 402 N -1.86 1.02 0.00 1.61 -1.08 -1.26 -5.04 116.67 110.06 1jkg s ASP 402 Ca 0.00 -0.12 0.14 0.00 -0.52 0.00 0.00 52.55 52.05 1jkg s ASP 402 Cb 0.00 0.64 0.45 0.00 -1.46 0.00 0.00 42.92 42.56 1jkg s ASP 402 CO 0.00 -0.32 1.35 0.54 0.52 0.00 0.00 175.17 177.26 1jkg n ARG 403 N 5.33 1.73 0.31 4.34 1.74 -1.26 -4.29 116.66 124.56 1jkg n ARG 403 Ca -0.05 -1.13 0.18 0.00 -0.77 0.00 0.00 57.85 56.09 1jkg n ARG 403 Cb 0.49 -1.30 1.03 0.00 -1.02 0.00 0.00 32.46 31.66 1jkg n ARG 403 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 1jkg h GLN 404 N 1.96 0.00 0.00 5.56 3.07 -1.91 0.05 115.11 123.84 1jkg h GLN 404 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1jkg h GLN 404 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.00 1jkg h GLN 404 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 178.83 179.70 1jkg h GLY 405 N 0.00 0.00 2.00 0.06 0.00 -1.93 -0.77 103.07 102.43 1jkg h GLY 405 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jkg h GLY 405 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 1jkg n LEU 406 N -3.01 0.33 0.11 3.11 4.77 0.01 -2.70 117.00 119.62 1jkg n LEU 406 Ca -0.02 0.57 0.15 0.00 -0.03 0.00 0.00 56.01 56.69 1jkg n LEU 406 Cb 0.11 -0.52 0.68 0.00 -2.33 0.00 0.00 43.42 41.35 1jkg n LEU 406 CO 0.20 -0.37 1.14 -0.07 -1.33 0.00 0.00 177.39 176.97 1jkg h LEU 407 N 0.00 0.00 -0.00 2.23 3.38 -1.32 0.36 115.31 119.96 1jkg h LEU 407 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jkg h LEU 407 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1jkg h LEU 407 CO 0.00 0.00 -0.02 0.47 0.09 0.00 0.00 178.44 178.98 1jkg n ASP 408 N -4.42 0.02 -0.01 -0.43 9.92 -1.10 -3.49 116.55 117.04 1jkg n ASP 408 Ca 0.04 0.45 0.11 0.00 -0.53 0.00 0.00 54.79 54.87 1jkg n ASP 408 Cb 0.39 -0.47 -0.15 0.00 -0.64 0.00 0.00 41.12 40.25 1jkg n ASP 408 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jkg n ALA 409 N -1.49 3.43 -2.70 2.24 0.00 0.12 -4.96 120.51 117.14 1jkg n ALA 409 Ca 0.07 -0.54 -0.34 0.00 0.00 0.00 0.00 53.44 52.63 1jkg n ALA 409 Cb 0.34 -0.75 -0.09 0.00 0.00 0.00 0.00 19.45 18.95 1jkg n ALA 409 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1jkg s TYR 410 N -3.34 3.18 0.55 0.00 1.51 -0.92 -0.54 117.35 117.79 1jkg s TYR 410 Ca -0.03 0.19 -0.20 0.00 -1.01 0.00 0.00 57.07 56.03 1jkg s TYR 410 Cb 0.15 -1.77 -0.05 0.00 -0.11 0.00 0.00 41.96 40.17 1jkg s TYR 410 CO 0.89 0.49 1.17 -1.58 -1.11 0.00 0.00 175.55 175.41 1jkg s HIS 411 N -0.95 2.57 0.40 2.71 5.65 -0.08 -4.84 115.29 120.75 1jkg s HIS 411 Ca 0.15 1.53 0.16 0.00 0.25 0.00 0.00 55.06 57.15 1jkg s HIS 411 Cb -0.11 -3.38 1.04 0.00 -1.18 0.00 0.00 32.58 28.95 1jkg s HIS 411 CO 0.05 -1.84 1.83 -0.44 -0.65 0.00 0.00 174.74 173.69 1jkg h ASP 412 N 1.17 0.46 -0.70 9.88 3.32 -1.93 -0.71 116.42 127.91 1jkg h ASP 412 Ca -0.50 0.05 -0.32 0.00 0.02 0.00 0.00 57.03 56.28 1jkg h ASP 412 Cb 1.27 -0.03 -0.19 0.00 0.22 0.00 0.00 39.33 40.61 1jkg h ASP 412 CO 0.57 0.17 0.31 0.61 -1.72 0.00 0.00 179.24 179.17 1jkg n GLY 413 N -1.49 4.42 3.72 2.75 0.00 -1.26 -1.76 105.19 111.57 1jkg n GLY 413 Ca 0.21 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 1jkg n GLY 413 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkg s ALA 414 N -3.19 2.00 0.04 4.61 0.00 -0.28 -4.48 121.76 120.46 1jkg s ALA 414 Ca 0.52 0.72 0.09 0.00 0.00 0.00 0.00 51.96 53.28 1jkg s ALA 414 Cb 0.44 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 1jkg s ALA 414 CO 0.08 -2.04 -0.25 0.00 0.00 0.00 0.00 175.76 173.55 1jkg s SER 417 N 0.67 0.05 0.04 0.00 1.04 -0.74 -0.92 113.70 113.84 1jkg s SER 417 Ca -0.04 -0.39 0.08 0.00 0.48 0.00 0.00 55.95 56.08 1jkg s SER 417 Cb -0.05 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 1jkg s SER 417 CO -0.04 -0.56 -0.24 -0.22 0.98 0.00 0.00 173.24 173.16 1jkg s LEU 418 N -2.10 2.17 0.02 2.42 2.96 -1.26 -1.08 118.68 121.81 1jkg s LEU 418 Ca -0.05 -0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 53.28 1jkg s LEU 418 Cb -0.01 -1.16 -0.02 0.00 0.50 0.00 0.00 46.19 45.51 1jkg s LEU 418 CO -0.04 0.22 0.02 -0.94 -1.32 0.00 0.00 176.35 174.29 1jkg s SER 419 N -1.21 0.23 0.22 3.68 1.04 -0.08 0.94 113.70 118.51 1jkg s SER 419 Ca 0.10 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1jkg s SER 419 Cb -0.09 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 1jkg s SER 419 CO 0.02 -0.39 0.10 0.27 0.98 0.00 0.00 173.24 174.22 1jkg s ILE 420 N -2.01 0.28 0.52 -1.02 -4.36 -1.26 -1.37 121.20 111.97 1jkg s ILE 420 Ca -0.10 -1.99 -0.23 0.00 -0.26 0.00 0.00 60.65 58.07 1jkg s ILE 420 Cb -0.05 -2.49 -0.06 0.00 1.25 0.00 0.00 42.46 41.10 1jkg s ILE 420 CO -0.03 -0.07 1.31 -2.65 0.24 0.00 0.00 174.94 173.74 1jkg n PRO 421 N -0.33 1.72 -0.02 0.37 -0.02 -1.26 -4.93 135.00 130.52 1jkg n PRO 421 Ca -0.00 0.63 -0.21 0.00 -2.02 0.00 0.00 63.50 61.89 1jkg n PRO 421 Cb 0.66 -2.50 -0.13 0.00 -0.02 0.00 0.00 33.50 31.51 1jkg n PRO 421 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1jkg h PHE 422 N 1.56 0.33 0.00 6.00 3.57 -2.00 -3.53 116.94 122.87 1jkg h PHE 422 Ca -0.50 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 60.76 1jkg h PHE 422 Cb 1.30 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.03 1jkg h PHE 422 CO 0.45 1.55 0.00 -0.89 -2.23 0.00 0.00 178.31 177.20 1jkg n ILE 423 N -4.00 0.00 0.00 1.41 5.41 -1.26 -5.28 119.36 115.64 1jkg n ILE 423 Ca -0.27 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.48 1jkg n ILE 423 Cb 0.86 -0.38 0.00 0.00 -0.71 0.00 0.00 39.64 39.40 1jkg n ILE 423 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1jkg n SER 430 N -0.68 0.00 -4.77 4.38 7.64 -1.26 -5.19 113.62 113.74 1jkg n SER 430 Ca 0.05 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.59 1jkg n SER 430 Cb 0.02 -0.02 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 1jkg n SER 430 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1jkg s SER 431 N 0.00 5.49 -0.28 6.43 0.15 -1.26 -4.94 113.70 119.28 1jkg s SER 431 Ca 0.00 2.13 0.12 0.00 0.70 0.00 0.00 55.95 58.90 1jkg s SER 431 Cb 0.00 -2.57 0.68 0.00 -1.71 0.00 0.00 66.02 62.42 1jkg s SER 431 CO 0.00 -1.38 1.68 0.18 1.20 0.00 0.00 173.24 174.93 1jkg n LEU 432 N -1.69 5.37 -0.35 3.45 4.77 -1.26 -4.70 117.00 122.60 1jkg n LEU 432 Ca 0.11 -3.23 0.16 0.00 -0.03 0.00 0.00 56.01 53.02 1jkg n LEU 432 Cb 0.51 -0.69 0.36 0.00 -2.33 0.00 0.00 43.42 41.28 1jkg n LEU 432 CO 0.44 0.82 1.18 0.00 -1.33 0.00 0.00 177.39 178.50 1jkg h ALA 433 N 2.39 1.76 0.00 -1.18 0.00 -2.00 0.65 119.26 120.88 1jkg h ALA 433 Ca 0.18 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1jkg h ALA 433 Cb 2.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1jkg h ALA 433 CO 0.57 -0.18 0.00 0.93 0.00 0.00 0.00 179.25 180.57 1jkg h GLU 434 N 0.66 0.00 -0.00 0.00 4.39 -2.03 -2.33 114.58 115.27 1jkg h GLU 434 Ca 0.61 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.31 1jkg h GLU 434 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1jkg h GLU 434 CO -0.42 0.00 -0.69 0.66 -1.16 0.00 0.00 179.01 177.40 1jkg n TYR 435 N -2.41 0.00 -0.06 4.33 4.02 0.17 -4.62 117.16 118.59 1jkg n TYR 435 Ca 0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.79 1jkg n TYR 435 Cb 0.21 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.48 1jkg n TYR 435 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 1jkg h PHE 436 N 0.40 0.34 -1.00 -0.72 3.57 -0.85 -2.58 116.94 116.10 1jkg h PHE 436 Ca 0.00 -0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.57 1jkg h PHE 436 Cb 0.43 -0.10 -0.08 0.00 2.79 0.00 0.00 35.95 38.99 1jkg h PHE 436 CO 0.00 0.43 0.63 0.87 -2.23 0.00 0.00 178.31 178.01 1jkg h LYS 437 N 0.15 0.97 -0.12 1.11 1.79 -1.82 -2.43 116.57 116.22 1jkg h LYS 437 Ca 0.06 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1jkg h LYS 437 Cb 0.26 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1jkg h LYS 437 CO 0.00 0.64 0.00 -0.25 -1.08 0.00 0.00 179.45 178.76 1jkg n ASP 438 N -4.60 2.69 -4.75 0.86 8.00 -1.22 -4.96 116.55 112.58 1jkg n ASP 438 Ca 0.18 -1.87 -0.41 0.00 0.71 0.00 0.00 54.79 53.39 1jkg n ASP 438 Cb 0.34 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 1jkg n ASP 438 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1jkg s SER 439 N -1.85 6.60 -0.29 -2.24 1.04 -0.92 -4.32 113.70 111.72 1jkg s SER 439 Ca 0.33 2.72 0.03 0.00 0.48 0.00 0.00 55.95 59.50 1jkg s SER 439 Cb 0.21 -2.62 0.08 0.00 0.10 0.00 0.00 66.02 63.78 1jkg s SER 439 CO 0.31 -0.75 -0.02 -0.60 0.98 0.00 0.00 173.24 173.16 1jkg s ARG 440 N -0.36 1.71 -0.40 4.02 3.52 0.27 -4.95 118.95 122.75 1jkg s ARG 440 Ca 0.60 -1.48 0.03 0.00 -0.13 0.00 0.00 55.73 54.75 1jkg s ARG 440 Cb -0.43 -2.90 0.11 0.00 -1.56 0.00 0.00 34.95 30.17 1jkg s ARG 440 CO 0.44 -0.76 0.15 1.21 -0.81 0.00 0.00 175.30 175.53 1jkg s ASN 441 N 1.11 4.33 0.33 -2.12 3.84 -1.26 -4.57 114.94 116.61 1jkg s ASN 441 Ca 0.01 -2.39 0.25 0.00 0.21 0.00 0.00 52.86 50.95 1jkg s ASN 441 Cb -0.19 -1.41 1.16 0.00 -0.55 0.00 0.00 41.25 40.26 1jkg s ASN 441 CO -0.08 -0.33 1.76 -0.37 -2.79 0.00 0.00 177.10 175.29 1jkg h VAL 442 N 6.06 0.00 -0.01 -5.21 -1.51 -1.97 0.24 116.25 113.85 1jkg h VAL 442 Ca -0.06 -0.18 -0.14 0.00 -1.23 0.00 0.00 66.70 65.09 1jkg h VAL 442 Cb 0.97 0.87 -0.02 0.00 -2.13 0.00 0.00 31.29 30.98 1jkg h VAL 442 CO 0.55 0.00 -0.67 0.50 -1.23 0.00 0.00 177.57 176.72 1jkg h LYS 443 N 0.00 0.03 0.00 5.19 3.64 -2.02 -3.35 116.57 120.06 1jkg h LYS 443 Ca 0.00 -0.02 -0.39 0.00 -1.27 0.00 0.00 60.65 58.97 1jkg h LYS 443 Cb 0.25 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 1jkg h LYS 443 CO 0.00 0.69 -2.46 1.63 -2.27 0.00 0.00 179.45 177.04 1jkg n LYS 444 N -3.75 0.63 -3.04 1.90 4.76 -0.59 -4.87 118.16 113.19 1jkg n LYS 444 Ca -0.01 0.16 -0.41 0.00 -2.87 0.00 0.00 58.31 55.17 1jkg n LYS 444 Cb 0.66 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.29 1jkg n LYS 444 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1jkg s LEU 445 N -6.62 4.13 -0.16 -0.35 2.96 0.75 -4.94 118.68 114.46 1jkg s LEU 445 Ca -0.35 0.49 0.15 0.00 -0.22 0.00 0.00 54.13 54.20 1jkg s LEU 445 Cb 0.10 -2.93 -0.24 0.00 0.50 0.00 0.00 46.19 43.62 1jkg s LEU 445 CO 0.57 -0.56 0.22 0.29 -1.32 0.00 0.00 176.35 175.56 1jkg n LYS 446 N 6.05 0.67 -1.66 1.98 4.76 -1.26 -4.42 118.16 124.28 1jkg n LYS 446 Ca 0.01 0.09 -0.48 0.00 -2.87 0.00 0.00 58.31 55.06 1jkg n LYS 446 Cb 0.48 -1.60 -0.05 0.00 -1.84 0.00 0.00 35.03 32.03 1jkg n LYS 446 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1jkg n ASP 447 N -2.89 3.31 -0.37 4.39 2.03 -1.26 -4.88 116.55 116.89 1jkg n ASP 447 Ca -0.30 0.88 -0.01 0.00 0.52 0.00 0.00 54.79 55.88 1jkg n ASP 447 Cb 1.12 -1.37 0.13 0.00 -0.72 0.00 0.00 41.12 40.27 1jkg n ASP 447 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1jkg h PRO 448 N 9.85 1.28 -0.40 -0.67 0.11 -1.99 -0.83 132.00 139.35 1jkg h PRO 448 Ca -0.46 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 1jkg h PRO 448 Cb 1.27 -0.29 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1jkg h PRO 448 CO 0.96 0.85 0.07 1.15 -0.21 0.00 0.00 178.00 180.82 1jkg h THR 449 N 1.32 1.24 -0.38 -1.15 2.02 -1.99 -0.11 112.91 113.86 1jkg h THR 449 Ca 0.38 -0.85 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 1jkg h THR 449 Cb -0.11 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1jkg h THR 449 CO -0.09 0.29 -0.04 -0.07 0.37 0.00 0.00 175.52 175.98 1jkg h LEU 450 N 0.51 0.69 -0.80 2.58 3.38 -1.90 -1.31 115.31 118.46 1jkg h LEU 450 Ca 0.12 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.83 1jkg h LEU 450 Cb 0.36 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1jkg h LEU 450 CO 0.01 0.86 0.47 0.03 0.09 0.00 0.00 178.44 179.90 1jkg h ARG 451 N 0.51 0.81 -0.20 1.13 3.08 -1.03 -1.37 114.38 117.31 1jkg h ARG 451 Ca 0.10 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1jkg h ARG 451 Cb 0.53 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1jkg h ARG 451 CO 0.03 0.54 0.03 0.35 -1.07 0.00 0.00 179.97 179.85 1jkg h PHE 452 N 0.83 0.35 -0.16 3.04 3.57 -0.70 -3.13 116.94 120.75 1jkg h PHE 452 Ca 0.36 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 1jkg h PHE 452 Cb 0.24 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1jkg h PHE 452 CO -0.05 0.47 -0.17 0.00 -2.23 0.00 0.00 178.31 176.33 1jkg h ARG 453 N 0.12 0.26 0.00 1.11 3.08 -0.84 -2.75 114.38 115.36 1jkg h ARG 453 Ca 0.06 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1jkg h ARG 453 Cb 0.31 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1jkg h ARG 453 CO 0.00 0.43 0.00 1.28 -1.07 0.00 0.00 179.97 180.61 1jkg n LEU 454 N -4.23 0.56 -4.47 3.04 4.77 -0.55 -4.51 117.00 111.60 1jkg n LEU 454 Ca -0.01 0.61 -0.43 0.00 -0.03 0.00 0.00 56.01 56.15 1jkg n LEU 454 Cb 0.30 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 1jkg n LEU 454 CO 0.39 -0.40 0.41 -0.22 -1.33 0.00 0.00 177.39 176.24 1jkg s LEU 455 N -4.19 4.72 0.19 2.23 2.96 -1.04 -4.74 118.68 118.82 1jkg s LEU 455 Ca 0.07 -0.70 -0.31 0.00 -0.22 0.00 0.00 54.13 52.97 1jkg s LEU 455 Cb 0.11 -2.57 -0.10 0.00 0.50 0.00 0.00 46.19 44.13 1jkg s LEU 455 CO 0.43 -0.93 1.47 -0.54 -1.32 0.00 0.00 176.35 175.46 1jkg s LYS 456 N 2.90 4.26 -0.02 1.98 -0.14 -0.10 -4.88 119.74 123.73 1jkg s LYS 456 Ca 0.19 2.28 0.02 0.00 -1.36 0.00 0.00 55.97 57.10 1jkg s LYS 456 Cb -0.17 -3.15 0.00 0.00 -1.68 0.00 0.00 37.83 32.83 1jkg s LYS 456 CO 0.15 -0.49 -0.08 -1.58 -0.76 0.00 0.00 175.35 172.59 1jkg s HIS 457 N 0.61 0.81 0.00 3.18 2.46 -1.26 -1.27 115.29 119.82 1jkg s HIS 457 Ca 0.64 -0.19 0.00 0.00 0.47 0.00 0.00 55.06 55.98 1jkg s HIS 457 Cb -0.41 -0.58 0.00 0.00 -0.13 0.00 0.00 32.58 31.45 1jkg s HIS 457 CO 0.36 -0.08 0.00 0.25 -2.47 0.00 0.00 174.74 172.80 1jkg n THR 458 N 3.27 -0.40 -0.11 0.89 -2.24 0.15 -4.27 114.28 111.58 1jkg n THR 458 Ca -0.18 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.74 1jkg n THR 458 Cb 0.55 0.00 0.51 0.00 -2.10 0.00 0.00 70.33 69.29 1jkg n THR 458 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1jkg h ARG 459 N 0.00 0.38 0.13 -0.78 0.11 -1.34 -0.55 114.38 112.34 1jkg h ARG 459 Ca 0.00 -0.02 -0.00 0.00 0.10 0.00 0.00 59.98 60.05 1jkg h ARG 459 Cb 0.00 -0.09 -0.00 0.00 1.11 0.00 0.00 29.97 30.99 1jkg h ARG 459 CO 0.00 0.25 -0.07 1.25 0.10 0.00 0.00 179.97 181.50 1jkg h LEU 460 N 0.39 -0.17 -0.65 0.08 5.85 -1.87 -0.53 115.31 118.41 1jkg h LEU 460 Ca 0.31 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.89 1jkg h LEU 460 Cb 0.66 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1jkg h LEU 460 CO -0.09 -0.12 -0.52 0.78 -0.34 0.00 0.00 178.44 178.16 1jkg h ASN 461 N -0.19 0.46 0.50 1.25 2.35 -1.56 -1.13 115.58 117.25 1jkg h ASN 461 Ca -0.01 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.48 1jkg h ASN 461 Cb 0.15 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1jkg h ASN 461 CO 0.02 0.89 -0.24 0.58 -1.65 0.00 0.00 177.43 177.03 1jkg h VAL 462 N 0.33 0.47 -0.29 2.81 2.07 -0.95 -1.85 116.25 118.84 1jkg h VAL 462 Ca 0.01 -0.23 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 1jkg h VAL 462 Cb 1.02 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1jkg h VAL 462 CO 0.09 0.04 -0.22 0.58 0.02 0.00 0.00 177.57 178.07 1jkg h VAL 463 N -0.82 1.26 -0.75 2.57 2.07 -1.13 -1.05 116.25 118.40 1jkg h VAL 463 Ca -0.07 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 1jkg h VAL 463 Cb 0.58 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1jkg h VAL 463 CO 0.11 0.40 0.44 0.00 0.02 0.00 0.00 177.57 178.54 1jkg h ALA 464 N 1.28 0.96 0.03 1.67 0.00 -1.19 -0.23 119.26 121.78 1jkg h ALA 464 Ca 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jkg h ALA 464 Cb 0.65 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1jkg h ALA 464 CO 0.05 0.45 -0.01 0.35 0.00 0.00 0.00 179.25 180.08 1jkg h PHE 465 N 1.03 -0.04 -0.99 0.00 3.57 -0.98 -3.00 116.94 116.54 1jkg h PHE 465 Ca 0.27 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.85 1jkg h PHE 465 Cb -0.01 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.67 1jkg h PHE 465 CO -0.01 0.22 0.63 -0.07 -2.23 0.00 0.00 178.31 176.86 1jkg h LEU 466 N -0.29 0.98 0.00 0.59 3.38 -0.92 0.23 115.31 119.28 1jkg h LEU 466 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jkg h LEU 466 Cb 0.27 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1jkg h LEU 466 CO 0.01 0.59 0.00 -3.20 0.09 0.00 0.00 178.44 175.93 1jkg n ASN 467 N -4.54 0.00 0.05 -0.43 5.15 -0.12 -1.82 115.26 113.55 1jkg n ASN 467 Ca 0.16 0.33 0.11 0.00 -0.60 0.00 0.00 54.58 54.59 1jkg n ASN 467 Cb 0.25 -0.42 -0.04 0.00 -0.53 0.00 0.00 39.78 39.04 1jkg n ASN 467 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1jkg n GLU 468 N -1.42 0.53 -1.84 1.20 -0.58 0.05 -4.93 120.64 113.65 1jkg n GLU 468 Ca 0.05 -0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.46 1jkg n GLU 468 Cb 0.16 -1.67 0.04 0.00 -0.57 0.00 0.00 31.44 29.39 1jkg n GLU 468 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1jkg s LEU 469 N -4.71 3.42 0.44 -4.62 1.43 -0.76 -4.96 118.68 108.93 1jkg s LEU 469 Ca -0.01 1.93 -0.23 0.00 -1.03 0.00 0.00 54.13 54.79 1jkg s LEU 469 Cb 0.12 -4.54 -0.11 0.00 0.03 0.00 0.00 46.19 41.69 1jkg s LEU 469 CO 0.83 -1.48 0.76 -2.65 0.23 0.00 0.00 176.35 174.04 1jkg n PRO 470 N -2.31 0.89 -2.05 1.29 -0.02 -1.26 -4.92 135.00 126.62 1jkg n PRO 470 Ca 0.10 0.33 -0.37 0.00 -2.02 0.00 0.00 63.50 61.54 1jkg n PRO 470 Cb 0.52 -1.77 0.02 0.00 -0.02 0.00 0.00 33.50 32.25 1jkg n PRO 470 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1jkg s LYS 471 N -1.86 3.24 0.21 -0.52 3.01 -1.26 -4.98 119.74 117.58 1jkg s LYS 471 Ca 0.65 1.87 0.00 0.00 -1.01 0.00 0.00 55.97 57.48 1jkg s LYS 471 Cb -0.57 -2.12 -0.04 0.00 -1.01 0.00 0.00 37.83 34.09 1jkg s LYS 471 CO 0.56 -1.01 0.10 0.95 0.51 0.00 0.00 175.35 176.47 1jkg s THR 472 N -1.54 0.28 -0.30 2.17 -4.23 -1.26 -2.51 115.64 108.25 1jkg s THR 472 Ca 0.72 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 59.24 1jkg s THR 472 Cb -0.31 -2.48 0.13 0.00 1.34 0.00 0.00 72.50 71.18 1jkg s THR 472 CO 0.36 -0.09 0.27 -1.58 -0.54 0.00 0.00 174.62 173.04 1jkg s GLN 473 N -4.08 0.34 0.24 3.99 -0.44 -0.49 -4.48 119.66 114.75 1jkg s GLN 473 Ca 0.36 -0.36 -0.20 0.00 -2.50 0.00 0.00 55.36 52.65 1jkg s GLN 473 Cb 0.07 -0.80 -0.08 0.00 -1.64 0.00 0.00 33.01 30.56 1jkg s GLN 473 CO 0.11 -1.06 0.75 -1.01 0.50 0.00 0.00 175.29 174.58 1jkg s HIS 474 N 2.14 3.64 -1.21 1.67 3.76 -1.26 -1.39 115.29 122.64 1jkg s HIS 474 Ca 0.11 1.43 -0.12 0.00 -0.15 0.00 0.00 55.06 56.33 1jkg s HIS 474 Cb -0.15 -2.65 0.19 0.00 1.11 0.00 0.00 32.58 31.08 1jkg s HIS 474 CO -0.29 0.31 1.49 -3.47 -0.85 0.00 0.00 174.74 171.93 1jkg n ASP 475 N 0.65 5.30 -0.15 1.40 2.03 -0.94 -4.85 116.55 119.99 1jkg n ASP 475 Ca -0.01 -3.04 -0.02 0.00 0.52 0.00 0.00 54.79 52.23 1jkg n ASP 475 Cb 0.51 -1.51 0.06 0.00 -0.72 0.00 0.00 41.12 39.46 1jkg n ASP 475 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1jkg h VAL 476 N 4.25 0.71 0.00 5.18 2.07 -1.94 -2.27 116.25 124.25 1jkg h VAL 476 Ca 0.31 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.76 1jkg h VAL 476 Cb 0.81 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1jkg h VAL 476 CO 1.30 0.04 0.00 0.59 0.02 0.00 0.00 177.57 179.52 1jkg n ASN 477 N -5.13 0.16 -0.89 0.57 5.03 -1.26 -1.46 115.26 112.29 1jkg n ASN 477 Ca 0.05 0.55 0.11 0.00 0.87 0.00 0.00 54.58 56.17 1jkg n ASN 477 Cb 0.24 -0.58 0.10 0.00 -1.02 0.00 0.00 39.78 38.52 1jkg n ASN 477 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1jkg n SER 478 N -1.70 2.85 -4.71 6.41 7.64 -0.86 -4.99 113.62 118.27 1jkg n SER 478 Ca 0.02 -1.91 -0.43 0.00 1.01 0.00 0.00 58.87 57.56 1jkg n SER 478 Cb 0.12 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.29 1jkg n SER 478 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1jkg n PHE 479 N 1.24 2.43 -3.70 1.43 0.99 -0.54 -4.87 117.46 114.43 1jkg n PHE 479 Ca 0.13 0.48 -0.38 0.00 -0.00 0.00 0.00 57.45 57.68 1jkg n PHE 479 Cb 0.55 -2.46 -0.12 0.00 -1.00 0.00 0.00 39.48 36.45 1jkg n PHE 479 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1jkg s VAL 480 N -0.79 4.22 -0.11 -4.37 1.01 0.51 -4.90 120.40 115.97 1jkg s VAL 480 Ca 0.58 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1jkg s VAL 480 Cb -0.56 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1jkg s VAL 480 CO 0.59 -0.01 -0.10 -0.69 0.00 0.00 0.00 175.10 174.88 1jkg s VAL 481 N 1.53 3.34 -0.20 2.92 1.01 -1.26 -0.85 120.40 126.89 1jkg s VAL 481 Ca 0.02 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1jkg s VAL 481 Cb -0.18 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.84 1jkg s VAL 481 CO 0.04 0.54 -0.15 -1.81 0.00 0.00 0.00 175.10 173.72 1jkg s ASP 482 N -0.06 3.49 -0.45 3.32 1.01 -0.51 -0.33 116.67 123.15 1jkg s ASP 482 Ca -0.01 -0.88 -0.20 0.00 0.71 0.00 0.00 52.55 52.17 1jkg s ASP 482 Cb -0.14 -1.43 0.03 0.00 1.01 0.00 0.00 42.92 42.39 1jkg s ASP 482 CO 0.03 -0.08 0.61 -0.63 0.21 0.00 0.00 175.17 175.31 1jkg s ILE 483 N 1.27 4.87 -1.07 0.77 1.01 0.26 -0.97 121.20 127.34 1jkg s ILE 483 Ca 0.00 -0.07 0.18 0.00 0.00 0.00 0.00 60.65 60.76 1jkg s ILE 483 Cb -0.15 -4.20 -0.14 0.00 0.01 0.00 0.00 42.46 37.97 1jkg s ILE 483 CO -0.10 -0.62 0.81 -1.54 0.00 0.00 0.00 174.94 173.49 1jkg n SER 484 N 6.16 1.10 -3.70 3.58 3.41 -0.22 -4.82 113.62 119.13 1jkg n SER 484 Ca -0.03 -1.05 -0.14 0.00 -0.26 0.00 0.00 58.87 57.39 1jkg n SER 484 Cb 0.47 0.86 -0.09 0.00 -0.26 0.00 0.00 64.21 65.19 1jkg n SER 484 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jkg s ALA 485 N -2.53 -1.19 -0.25 7.33 0.00 -1.12 -4.97 121.76 119.04 1jkg s ALA 485 Ca 0.09 1.24 -0.18 0.00 0.00 0.00 0.00 51.96 53.12 1jkg s ALA 485 Cb 0.14 -0.64 0.07 0.00 0.00 0.00 0.00 23.12 22.69 1jkg s ALA 485 CO 0.66 -0.24 0.63 -1.14 0.00 0.00 0.00 175.76 175.67 1jkg s GLN 486 N -0.02 0.68 0.28 0.00 -0.44 -1.26 -1.06 119.66 117.84 1jkg s GLN 486 Ca -0.02 1.02 0.01 0.00 -2.50 0.00 0.00 55.36 53.87 1jkg s GLN 486 Cb -0.03 0.21 -0.00 0.00 -1.64 0.00 0.00 33.01 31.54 1jkg s GLN 486 CO 0.02 -0.13 0.33 0.25 0.50 0.00 0.00 175.29 176.26 1jkg n THR 487 N 3.65 0.00 0.40 -0.34 -2.24 0.04 -4.96 114.28 110.83 1jkg n THR 487 Ca -0.18 -1.63 0.12 0.00 -2.27 0.00 0.00 64.05 60.09 1jkg n THR 487 Cb 0.57 0.92 0.50 0.00 -2.10 0.00 0.00 70.33 70.22 1jkg n THR 487 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1jkg h SER 488 N 1.61 0.00 -0.00 3.42 4.64 -2.02 -3.13 113.55 118.07 1jkg h SER 488 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1jkg h SER 488 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1jkg h SER 488 CO 0.29 0.00 -0.02 0.35 -0.87 0.00 0.00 176.83 176.58 1jkg n THR 489 N -2.30 0.00 -3.97 2.95 -2.24 -1.26 -4.72 114.28 102.74 1jkg n THR 489 Ca 0.02 -0.49 -0.10 0.00 -2.27 0.00 0.00 64.05 61.21 1jkg n THR 489 Cb 0.24 1.01 -0.12 0.00 -2.10 0.00 0.00 70.33 69.36 1jkg n THR 489 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1jkg s LEU 490 N -1.15 2.18 -0.11 3.22 0.20 -1.18 -4.31 118.68 117.51 1jkg s LEU 490 Ca 0.01 -0.37 -0.04 0.00 0.69 0.00 0.00 54.13 54.42 1jkg s LEU 490 Cb 0.01 0.03 0.06 0.00 -0.43 0.00 0.00 46.19 45.86 1jkg s LEU 490 CO 0.02 -0.20 0.20 -0.22 -0.29 0.00 0.00 176.35 175.86 1jkg s LEU 491 N -1.07 -0.16 -0.16 -0.68 2.96 -0.47 -0.78 118.68 118.33 1jkg s LEU 491 Ca -0.11 0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 54.16 1jkg s LEU 491 Cb -0.07 0.43 -0.00 0.00 0.50 0.00 0.00 46.19 47.04 1jkg s LEU 491 CO -0.01 -0.25 -0.14 0.00 -1.32 0.00 0.00 176.35 174.63 1jkg s PHE 493 N 0.81 -0.08 -0.06 0.00 -0.12 -0.56 -1.05 117.98 116.92 1jkg s PHE 493 Ca -0.05 0.19 0.03 0.00 -0.05 0.00 0.00 56.93 57.05 1jkg s PHE 493 Cb -0.15 0.01 -0.03 0.00 -0.63 0.00 0.00 43.02 42.22 1jkg s PHE 493 CO 0.00 -0.15 -0.14 -1.54 -0.05 0.00 0.00 175.22 173.34 1jkg s SER 494 N -0.44 4.03 -0.16 1.98 1.04 -0.14 -0.78 113.70 119.22 1jkg s SER 494 Ca -0.05 -0.20 -0.01 0.00 0.48 0.00 0.00 55.95 56.16 1jkg s SER 494 Cb -0.03 -0.90 -0.01 0.00 0.10 0.00 0.00 66.02 65.17 1jkg s SER 494 CO 0.01 0.33 -0.10 -0.69 0.98 0.00 0.00 173.24 173.76 1jkg s VAL 495 N -0.66 3.11 -0.13 5.02 1.01 0.19 -1.42 120.40 127.53 1jkg s VAL 495 Ca 0.10 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1jkg s VAL 495 Cb -0.11 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1jkg s VAL 495 CO 0.01 0.49 -0.17 0.20 0.00 0.00 0.00 175.10 175.63 1jkg s ASN 496 N 0.79 3.59 0.00 3.32 0.01 -0.03 -0.30 114.94 122.33 1jkg s ASN 496 Ca -0.04 -0.45 0.00 0.00 -0.71 0.00 0.00 52.86 51.66 1jkg s ASN 496 Cb -0.15 -1.53 0.00 0.00 0.41 0.00 0.00 41.25 39.98 1jkg s ASN 496 CO 0.01 0.14 0.00 0.61 -1.51 0.00 0.00 177.10 176.35 1jkg n GLY 497 N 3.67 1.15 3.18 0.66 0.00 -0.85 -0.36 105.19 112.64 1jkg n GLY 497 Ca -0.19 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 1jkg n GLY 497 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jkg s VAL 498 N -1.91 0.79 -0.03 1.61 -7.23 -1.26 -0.85 120.40 111.51 1jkg s VAL 498 Ca 0.00 -1.93 -0.16 0.00 -1.81 0.00 0.00 61.98 58.08 1jkg s VAL 498 Cb 0.00 -1.68 0.03 0.00 0.56 0.00 0.00 36.38 35.29 1jkg s VAL 498 CO 0.00 -0.83 0.34 0.72 -0.31 0.00 0.00 175.10 175.02 1jkg s PHE 499 N -3.48 -0.25 -0.04 2.82 -0.12 -0.45 -2.23 117.98 114.24 1jkg s PHE 499 Ca 0.12 0.43 -0.02 0.00 -0.05 0.00 0.00 56.93 57.41 1jkg s PHE 499 Cb 0.04 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.52 1jkg s PHE 499 CO -0.04 -0.38 0.08 0.21 -0.05 0.00 0.00 175.22 175.05 1jkg s LYS 500 N -1.10 3.13 -0.11 1.99 2.20 -0.49 -0.64 119.74 124.71 1jkg s LYS 500 Ca -0.11 -0.40 -0.21 0.00 -0.36 0.00 0.00 55.97 54.89 1jkg s LYS 500 Cb -0.04 -2.91 -0.04 0.00 -1.51 0.00 0.00 37.83 33.33 1jkg s LYS 500 CO 0.04 0.68 0.59 -1.21 -0.36 0.00 0.00 175.35 175.09 1jkg s GLU 501 N -1.45 4.35 0.05 4.03 2.02 -0.75 -1.39 118.70 125.56 1jkg s GLU 501 Ca 0.20 0.64 0.25 0.00 0.02 0.00 0.00 54.97 56.08 1jkg s GLU 501 Cb -0.12 -3.47 0.53 0.00 0.10 0.00 0.00 34.13 31.18 1jkg s GLU 501 CO 0.10 0.04 1.45 1.33 0.02 0.00 0.00 175.26 178.20 1jkg n VAL 502 N 3.92 0.15 -2.70 2.63 0.24 -1.05 0.40 118.33 121.92 1jkg n VAL 502 Ca -0.04 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1jkg n VAL 502 Cb 0.51 -0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 1jkg n VAL 502 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1jkg n ASP 503 N -1.76 0.00 -0.01 -1.34 5.68 -1.26 -4.72 116.55 113.14 1jkg n ASP 503 Ca 0.05 -0.52 0.00 0.00 -0.50 0.00 0.00 54.79 53.82 1jkg n ASP 503 Cb 0.38 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 1jkg n ASP 503 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jkg n GLY 504 N 0.00 -1.95 0.23 6.12 0.00 -1.26 -3.23 105.19 105.09 1jkg n GLY 504 Ca 0.00 -1.40 0.11 0.00 0.00 0.00 0.00 46.02 44.73 1jkg n GLY 504 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jkg h LYS 505 N 0.00 0.00 -0.68 1.61 3.64 -2.01 -3.06 116.57 116.07 1jkg h LYS 505 Ca 0.00 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.03 1jkg h LYS 505 Cb 0.00 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 31.61 1jkg h LYS 505 CO 0.00 0.20 0.28 0.43 -2.27 0.00 0.00 179.45 178.09 1jkg n SER 506 N -3.39 3.12 -4.57 4.20 7.64 -1.26 -4.92 113.62 114.45 1jkg n SER 506 Ca 0.00 -3.71 -0.50 0.00 1.01 0.00 0.00 58.87 55.67 1jkg n SER 506 Cb 0.41 -0.74 -0.05 0.00 -1.01 0.00 0.00 64.21 62.82 1jkg n SER 506 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1jkg n ARG 507 N -1.14 1.10 -0.80 1.43 0.63 -1.16 -1.34 116.66 115.37 1jkg n ARG 507 Ca 0.47 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.79 1jkg n ARG 507 Cb 1.35 -1.91 0.00 0.00 0.45 0.00 0.00 32.46 32.35 1jkg n ARG 507 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1jkg n ASP 508 N 2.10 0.00 -4.77 6.15 8.00 0.16 -4.97 116.55 123.22 1jkg n ASP 508 Ca 0.16 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.28 1jkg n ASP 508 Cb 0.23 -0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 40.75 1jkg n ASP 508 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1jkg s SER 509 N -2.83 6.18 -0.25 -2.24 0.01 -0.45 -4.74 113.70 109.38 1jkg s SER 509 Ca 0.00 2.40 -0.09 0.00 1.31 0.00 0.00 55.95 59.58 1jkg s SER 509 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 1jkg s SER 509 CO 0.00 -0.92 0.11 -0.22 0.41 0.00 0.00 173.24 172.62 1jkg s LEU 510 N -2.88 3.70 0.18 2.44 2.96 -1.26 -1.81 118.68 122.00 1jkg s LEU 510 Ca 0.62 -0.09 0.07 0.00 -0.22 0.00 0.00 54.13 54.51 1jkg s LEU 510 Cb -0.31 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 1jkg s LEU 510 CO 0.39 -0.00 0.00 -0.13 -1.32 0.00 0.00 176.35 175.29 1jkg s ARG 511 N 1.43 2.41 0.18 1.98 1.81 0.18 -3.00 118.95 123.95 1jkg s ARG 511 Ca 0.06 -1.12 0.08 0.00 -1.72 0.00 0.00 55.73 53.03 1jkg s ARG 511 Cb -0.15 -2.35 -0.04 0.00 -0.45 0.00 0.00 34.95 31.96 1jkg s ARG 511 CO 0.05 0.45 -0.06 0.00 -0.68 0.00 0.00 175.30 175.07 1jkg s ALA 512 N -1.76 3.05 0.18 2.13 0.00 0.17 -1.34 121.76 124.19 1jkg s ALA 512 Ca 0.28 -1.45 -0.17 0.00 0.00 0.00 0.00 51.96 50.62 1jkg s ALA 512 Cb -0.09 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.22 1jkg s ALA 512 CO 0.19 0.46 0.48 -0.59 0.00 0.00 0.00 175.76 176.30 1jkg s PHE 513 N -1.76 -0.09 -0.05 0.00 -0.12 -0.03 -1.29 117.98 114.64 1jkg s PHE 513 Ca 0.26 -0.25 -0.02 0.00 -0.05 0.00 0.00 56.93 56.87 1jkg s PHE 513 Cb -0.09 0.33 0.03 0.00 -0.63 0.00 0.00 43.02 42.66 1jkg s PHE 513 CO 0.17 -0.86 0.06 0.99 -0.05 0.00 0.00 175.22 175.52 1jkg s THR 514 N -3.87 -0.06 -0.11 -4.49 2.01 -0.62 -2.02 115.64 106.48 1jkg s THR 514 Ca 0.09 0.35 0.02 0.00 0.31 0.00 0.00 61.69 62.46 1jkg s THR 514 Cb -0.00 -0.22 0.01 0.00 0.01 0.00 0.00 72.50 72.30 1jkg s THR 514 CO -0.04 0.15 -0.19 -0.60 -0.69 0.00 0.00 174.62 173.26 1jkg s ARG 515 N 2.15 2.56 -0.21 4.92 3.52 0.59 -1.19 118.95 131.29 1jkg s ARG 515 Ca 0.05 -0.69 -0.05 0.00 -0.13 0.00 0.00 55.73 54.90 1jkg s ARG 515 Cb -0.12 -2.08 -0.03 0.00 -1.56 0.00 0.00 34.95 31.16 1jkg s ARG 515 CO -0.04 0.01 0.01 0.99 -0.81 0.00 0.00 175.30 175.46 1jkg s THR 516 N 0.79 4.04 -0.00 4.11 2.01 -0.28 0.57 115.64 126.88 1jkg s THR 516 Ca -0.10 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 61.66 1jkg s THR 516 Cb -0.16 -2.84 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 1jkg s THR 516 CO 0.01 0.42 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.88 1jkg s PHE 517 N 1.07 2.76 -0.12 4.92 0.40 0.04 -1.45 117.98 125.59 1jkg s PHE 517 Ca 0.03 -0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.24 1jkg s PHE 517 Cb -0.14 -1.58 0.02 0.00 0.51 0.00 0.00 43.02 41.82 1jkg s PHE 517 CO 0.02 0.29 -0.14 0.42 0.70 0.00 0.00 175.22 176.51 1jkg s ILE 518 N -0.90 1.45 0.13 0.64 1.01 -0.38 -1.49 121.20 121.66 1jkg s ILE 518 Ca 0.15 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.26 1jkg s ILE 518 Cb -0.11 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 1jkg s ILE 518 CO 0.05 0.44 -0.13 0.00 0.00 0.00 0.00 174.94 175.30 1jkg s ALA 519 N 1.26 1.45 0.27 9.38 0.00 0.03 -1.03 121.76 133.12 1jkg s ALA 519 Ca -0.01 -1.32 0.10 0.00 0.00 0.00 0.00 51.96 50.73 1jkg s ALA 519 Cb -0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1jkg s ALA 519 CO -0.06 0.05 -0.04 0.14 0.00 0.00 0.00 175.76 175.85 1jkg s VAL 520 N -2.41 3.22 0.37 0.00 -7.23 0.31 -1.37 120.40 113.28 1jkg s VAL 520 Ca 0.10 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.99 1jkg s VAL 520 Cb -0.03 -2.75 -0.11 0.00 0.56 0.00 0.00 36.38 34.05 1jkg s VAL 520 CO 0.02 -0.37 1.44 -2.65 -0.31 0.00 0.00 175.10 173.23 1jkg n PRO 521 N -0.85 2.53 -4.22 4.82 -0.02 -1.26 -0.80 135.00 135.18 1jkg n PRO 521 Ca -0.06 0.89 -0.34 0.00 -2.02 0.00 0.00 63.50 61.97 1jkg n PRO 521 Cb 0.59 -2.58 -0.08 0.00 -0.02 0.00 0.00 33.50 31.41 1jkg n PRO 521 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jkg s ALA 522 N -1.08 3.43 -0.25 3.55 0.00 -0.35 -4.62 121.76 122.44 1jkg s ALA 522 Ca 0.54 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 1jkg s ALA 522 Cb -0.50 -1.53 -0.33 0.00 0.00 0.00 0.00 23.12 20.76 1jkg s ALA 522 CO 0.63 0.63 1.70 -1.13 0.00 0.00 0.00 175.76 177.59 1jkg n SER 523 N 1.69 1.29 0.00 0.00 3.41 -1.26 -2.12 113.62 116.63 1jkg n SER 523 Ca -0.16 -2.53 0.00 0.00 -0.26 0.00 0.00 58.87 55.92 1jkg n SER 523 Cb 0.53 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1jkg n SER 523 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1jkg n ASN 524 N 10.00 0.00 0.00 4.04 6.94 -1.26 -4.95 115.26 130.03 1jkg n ASN 524 Ca 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 55.03 1jkg n ASN 524 Cb 0.42 0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 1jkg n ASN 524 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1jkg n SER 525 N -1.22 0.00 -0.33 0.53 3.41 -0.90 -5.14 113.62 109.97 1jkg n SER 525 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1jkg n SER 525 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1jkg n SER 525 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jkg n GLY 526 N 0.00 1.64 3.31 5.00 0.00 -1.24 -4.89 105.19 109.01 1jkg n GLY 526 Ca 0.00 -1.97 -0.25 0.00 0.00 0.00 0.00 46.02 43.79 1jkg n GLY 526 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jkg s LEU 527 N 0.00 2.30 -0.21 0.99 1.43 -1.26 -1.21 118.68 120.72 1jkg s LEU 527 Ca 0.00 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.42 1jkg s LEU 527 Cb 0.00 -0.97 0.04 0.00 0.03 0.00 0.00 46.19 45.29 1jkg s LEU 527 CO 0.00 0.09 -0.10 0.00 0.23 0.00 0.00 176.35 176.57 1jkg s ILE 529 N 1.38 3.93 -0.07 0.00 1.01 0.30 -0.53 121.20 127.22 1jkg s ILE 529 Ca -0.02 1.32 0.11 0.00 0.00 0.00 0.00 60.65 62.05 1jkg s ILE 529 Cb -0.17 -3.85 -0.16 0.00 0.01 0.00 0.00 42.46 38.30 1jkg s ILE 529 CO -0.08 0.02 0.14 1.33 0.00 0.00 0.00 174.94 176.35 1jkg n VAL 530 N 4.46 0.40 -3.90 2.92 0.24 -0.20 -0.90 118.33 121.36 1jkg n VAL 530 Ca 0.11 -0.37 -0.13 0.00 -2.04 0.00 0.00 64.34 61.91 1jkg n VAL 530 Cb 0.45 -0.28 -0.15 0.00 -1.47 0.00 0.00 33.84 32.40 1jkg n VAL 530 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1jkg s ASN 531 N -3.89 0.12 -0.18 -1.34 -0.87 -1.04 -0.95 114.94 106.81 1jkg s ASN 531 Ca -0.05 -0.01 -0.04 0.00 -1.57 0.00 0.00 52.86 51.19 1jkg s ASN 531 Cb 0.05 -0.04 0.09 0.00 -0.02 0.00 0.00 41.25 41.33 1jkg s ASN 531 CO 0.47 -0.02 0.29 -0.62 -2.57 0.00 0.00 177.10 174.65 1jkg s ASP 532 N 0.22 0.52 -0.18 -1.22 3.68 -0.49 -1.25 116.67 117.95 1jkg s ASP 532 Ca -0.02 0.36 0.01 0.00 2.13 0.00 0.00 52.55 55.03 1jkg s ASP 532 Cb -0.03 0.77 0.02 0.00 -1.45 0.00 0.00 42.92 42.23 1jkg s ASP 532 CO -0.01 -0.27 -0.19 -0.70 0.13 0.00 0.00 175.17 174.13 1jkg s GLU 533 N 2.44 2.88 -0.18 4.34 -6.30 -0.53 -1.78 118.70 119.56 1jkg s GLU 533 Ca 0.05 -0.80 -0.05 0.00 -2.50 0.00 0.00 54.97 51.67 1jkg s GLU 533 Cb -0.14 -2.51 -0.03 0.00 0.00 0.00 0.00 34.13 31.46 1jkg s GLU 533 CO -0.11 -0.22 -0.01 -1.17 0.02 0.00 0.00 175.26 173.77 1jkg s LEU 534 N 1.32 3.27 -0.21 2.70 2.96 -0.24 -1.12 118.68 127.36 1jkg s LEU 534 Ca 0.05 -0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1jkg s LEU 534 Cb -0.13 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.74 1jkg s LEU 534 CO -0.13 0.11 -0.09 0.12 -1.32 0.00 0.00 176.35 175.04 1jkg s PHE 535 N 0.75 2.90 -0.07 5.38 5.36 -0.33 -0.90 117.98 131.06 1jkg s PHE 535 Ca -0.00 -1.15 0.03 0.00 -0.96 0.00 0.00 56.93 54.85 1jkg s PHE 535 Cb -0.14 -2.05 -0.02 0.00 -0.34 0.00 0.00 43.02 40.47 1jkg s PHE 535 CO 0.02 -0.62 -0.17 0.08 -1.46 0.00 0.00 175.22 173.06 1jkg s VAL 536 N 1.41 2.73 0.28 3.12 1.01 -0.47 -1.59 120.40 126.88 1jkg s VAL 536 Ca 0.05 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 1jkg s VAL 536 Cb -0.14 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 1jkg s VAL 536 CO -0.06 0.57 0.36 0.00 0.00 0.00 0.00 175.10 175.97 1jkg s ARG 537 N -0.25 1.62 0.30 2.72 1.70 -0.41 -3.99 118.95 120.63 1jkg s ARG 537 Ca 0.00 -1.63 -0.21 0.00 -0.47 0.00 0.00 55.73 53.43 1jkg s ARG 537 Cb -0.13 0.39 -0.09 0.00 -0.57 0.00 0.00 34.95 34.55 1jkg s ARG 537 CO 0.03 -0.63 0.82 -0.80 -1.08 0.00 0.00 175.30 173.64 1jkg s ASN 538 N -3.18 7.07 0.43 -2.89 0.02 -1.26 -0.66 114.94 114.47 1jkg s ASN 538 Ca 0.32 1.55 -0.23 0.00 -1.02 0.00 0.00 52.86 53.47 1jkg s ASN 538 Cb 0.02 -2.47 -0.08 0.00 0.02 0.00 0.00 41.25 38.73 1jkg s ASN 538 CO 0.16 -0.10 1.09 0.00 0.02 0.00 0.00 177.10 178.27 1jkg s ALA 539 N -1.73 3.03 0.86 0.60 0.00 -1.16 -4.47 121.76 118.88 1jkg s ALA 539 Ca 0.50 0.77 -0.12 0.00 0.00 0.00 0.00 51.96 53.11 1jkg s ALA 539 Cb -0.15 -3.31 0.11 0.00 0.00 0.00 0.00 23.12 19.77 1jkg s ALA 539 CO 0.20 -0.37 1.17 -1.54 0.00 0.00 0.00 175.76 175.22 1jkg s SER 540 N -1.53 4.04 0.21 0.00 1.04 -1.26 -4.80 113.70 111.40 1jkg s SER 540 Ca 0.61 0.83 -0.10 0.00 0.48 0.00 0.00 55.95 57.76 1jkg s SER 540 Cb -0.24 -1.33 0.19 0.00 0.10 0.00 0.00 66.02 64.74 1jkg s SER 540 CO 0.29 -2.20 1.84 0.28 0.98 0.00 0.00 173.24 174.44 1jkg h SER 541 N -1.26 0.70 -0.62 7.02 0.02 -1.99 0.12 113.55 117.55 1jkg h SER 541 Ca -0.48 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.39 1jkg h SER 541 Cb 1.33 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 1jkg h SER 541 CO 0.63 0.49 0.05 -0.08 -1.14 0.00 0.00 176.83 176.77 1jkg h GLU 542 N 0.84 1.07 -0.49 3.45 4.81 -1.99 -0.71 114.58 121.57 1jkg h GLU 542 Ca 0.28 -0.31 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 1jkg h GLU 542 Cb 0.03 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1jkg h GLU 542 CO -0.11 1.02 -0.18 0.93 -0.73 0.00 0.00 179.01 179.94 1jkg h GLU 543 N 0.99 0.96 -0.23 1.92 5.08 -1.78 -1.01 114.58 120.51 1jkg h GLU 543 Ca 0.18 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1jkg h GLU 543 Cb 0.50 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1jkg h GLU 543 CO 0.02 1.05 0.02 0.82 -1.00 0.00 0.00 179.01 179.92 1jkg h ILE 544 N 0.84 1.24 -0.34 3.13 2.04 -0.81 0.13 117.51 123.74 1jkg h ILE 544 Ca 0.12 -0.83 0.04 0.00 1.00 0.00 0.00 64.86 65.19 1jkg h ILE 544 Cb 0.74 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 1jkg h ILE 544 CO 0.06 0.26 0.11 1.56 0.00 0.00 0.00 178.15 180.14 1jkg h GLN 545 N 0.17 0.24 -0.38 2.37 7.50 -1.01 -0.45 115.11 123.55 1jkg h GLN 545 Ca 0.07 -0.01 -0.07 0.00 0.50 0.00 0.00 58.65 59.14 1jkg h GLN 545 Cb 0.37 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.83 1jkg h GLN 545 CO 0.01 0.16 -0.02 0.00 -1.50 0.00 0.00 178.83 177.48 1jkg h ARG 546 N 0.25 0.68 -0.04 1.46 3.08 -1.07 -1.64 114.38 117.10 1jkg h ARG 546 Ca 0.15 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 1jkg h ARG 546 Cb 0.14 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1jkg h ARG 546 CO -0.17 0.79 -0.33 0.00 -1.07 0.00 0.00 179.97 179.20 1jkg h ALA 547 N 0.86 1.38 0.00 0.04 0.00 -0.47 -3.23 119.26 117.85 1jkg h ALA 547 Ca 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1jkg h ALA 547 Cb 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1jkg h ALA 547 CO 0.02 0.45 -1.02 1.19 0.00 0.00 0.00 179.25 179.90 1jkg n PHE 548 N -4.13 0.00 -1.89 0.00 3.01 -0.20 -5.00 117.46 109.25 1jkg n PHE 548 Ca -0.02 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.06 1jkg n PHE 548 Cb 0.39 -0.05 0.03 0.00 -0.01 0.00 0.00 39.48 39.84 1jkg n PHE 548 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jkg s ALA 549 N -3.03 2.85 -0.40 4.37 0.00 -0.62 -4.96 121.76 119.97 1jkg s ALA 549 Ca 0.07 1.24 0.08 0.00 0.00 0.00 0.00 51.96 53.35 1jkg s ALA 549 Cb 0.16 -3.52 0.35 0.00 0.00 0.00 0.00 23.12 20.11 1jkg s ALA 549 CO 0.86 -1.21 1.29 0.00 0.00 0.00 0.00 175.76 176.71 1jkg n MET 550 N -0.90 1.08 -1.83 0.00 0.00 -1.26 -5.05 117.12 109.15 1jkg n MET 550 Ca 0.10 -1.74 -0.35 0.00 0.00 0.00 0.00 57.70 55.70 1jkg n MET 550 Cb 0.46 -0.23 0.05 0.00 0.00 0.00 0.00 33.22 33.50 1jkg n MET 550 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1jkg s PRO 551 N 0.20 2.73 0.65 3.17 0.04 -1.26 -4.97 135.00 135.55 1jkg s PRO 551 Ca 0.21 1.77 -0.18 0.00 0.04 0.00 0.00 61.00 62.83 1jkg s PRO 551 Cb 0.35 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.98 1jkg s PRO 551 CO -0.08 -1.38 1.29 0.00 0.04 0.00 0.00 177.00 176.87 1jkg s ALA 552 N -1.77 2.38 0.48 8.56 0.00 -1.26 -4.93 121.76 125.23 1jkg s ALA 552 Ca 0.76 1.21 -0.23 0.00 0.00 0.00 0.00 51.96 53.70 1jkg s ALA 552 Cb -0.29 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.21 1jkg s ALA 552 CO 0.37 -1.58 1.21 -1.25 0.00 0.00 0.00 175.76 174.52 1jkg s PRO 553 N -3.38 3.63 0.03 0.00 0.04 -1.26 -5.05 135.00 129.01 1jkg s PRO 553 Ca 0.82 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 63.74 1jkg s PRO 553 Cb -0.37 -2.39 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 1jkg s PRO 553 CO 0.39 -0.69 0.01 0.95 0.04 0.00 0.00 177.00 177.70 1jkg s THR 554 N -1.48 0.14 -1.91 1.26 -4.23 -1.26 -5.32 115.64 102.84 1jkg s THR 554 Ca 0.65 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 1jkg s THR 554 Cb -0.32 -0.71 0.00 0.00 1.34 0.00 0.00 72.50 72.81 1jkg s THR 554 CO 0.38 -0.64 0.48 -2.65 -0.54 0.00 0.00 174.62 171.65