#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ux0 h MET 386 N 0.00 0.55 -0.02 4.33 0.00 -2.06 -2.31 114.93 115.41 2ux0 h MET 386 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 59.70 59.48 2ux0 h MET 386 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 31.60 31.57 2ux0 h MET 386 CO 0.00 0.77 0.00 0.25 0.00 0.00 0.00 176.91 177.93 2ux0 n THR 387 N -4.49 0.02 0.03 2.22 -2.24 -1.26 -2.50 114.28 106.06 2ux0 n THR 387 Ca -0.03 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2ux0 n THR 387 Cb 0.33 -0.01 -0.08 0.00 -2.10 0.00 0.00 70.33 68.47 2ux0 n THR 387 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ux0 n GLU 388 N -0.40 0.62 -0.04 -0.78 -0.58 -1.08 -3.47 120.64 114.91 2ux0 n GLU 388 Ca 0.20 0.20 -0.15 0.00 -0.42 0.00 0.00 57.16 57.00 2ux0 n GLU 388 Cb 0.22 -1.80 -0.07 0.00 -0.57 0.00 0.00 31.44 29.22 2ux0 n GLU 388 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2ux0 h ASP 389 N 0.00 0.67 -0.47 1.62 3.32 -1.11 -1.75 116.42 118.70 2ux0 h ASP 389 Ca -0.16 -0.59 -0.11 0.00 0.02 0.00 0.00 57.03 56.19 2ux0 h ASP 389 Cb 1.56 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.90 2ux0 h ASP 389 CO 0.04 1.15 -0.11 -0.33 -1.72 0.00 0.00 179.24 178.27 2ux0 h GLU 390 N 0.23 0.94 -0.71 3.56 4.39 -1.71 -1.42 114.58 119.86 2ux0 h GLU 390 Ca -0.01 -0.34 0.04 0.00 0.34 0.00 0.00 59.36 59.39 2ux0 h GLU 390 Cb 1.09 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.62 2ux0 h GLU 390 CO 0.10 0.99 0.43 -0.44 -1.16 0.00 0.00 179.01 178.93 2ux0 h ASP 391 N 0.84 0.68 -0.32 1.42 3.32 -1.59 -1.71 116.42 119.06 2ux0 h ASP 391 Ca 0.13 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 2ux0 h ASP 391 Cb 0.65 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2ux0 h ASP 391 CO 0.04 0.46 0.04 0.25 -1.72 0.00 0.00 179.24 178.31 2ux0 h LEU 392 N 0.81 0.51 -0.41 1.55 5.85 -0.98 -2.41 115.31 120.24 2ux0 h LEU 392 Ca 0.30 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.83 2ux0 h LEU 392 Cb 0.09 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 40.90 2ux0 h LEU 392 CO -0.14 0.65 -0.17 0.11 -0.34 0.00 0.00 178.44 178.55 2ux0 h LYS 393 N 0.35 -0.08 -0.28 1.25 1.57 -1.04 -1.35 116.57 116.99 2ux0 h LYS 393 Ca 0.10 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2ux0 h LYS 393 Cb 0.36 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2ux0 h LYS 393 CO 0.01 -0.06 0.13 0.28 -0.57 0.00 0.00 179.45 179.24 2ux0 h VAL 394 N -0.09 0.98 -0.45 0.50 2.07 -1.12 -0.15 116.25 117.99 2ux0 h VAL 394 Ca 0.20 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 2ux0 h VAL 394 Cb 0.39 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2ux0 h VAL 394 CO -0.47 0.05 0.27 -0.09 0.02 0.00 0.00 177.57 177.36 2ux0 h ARG 395 N 0.28 0.61 -0.87 1.57 9.65 -1.18 0.54 114.38 124.98 2ux0 h ARG 395 Ca 0.12 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 58.99 2ux0 h ARG 395 Cb 0.05 -0.13 -0.06 0.00 -1.39 0.00 0.00 29.97 28.45 2ux0 h ARG 395 CO -0.09 0.45 0.56 0.87 2.80 0.00 0.00 179.97 184.55 2ux0 h LYS 396 N 0.59 1.03 -0.50 0.20 1.57 -0.86 -1.24 116.57 117.35 2ux0 h LYS 396 Ca 0.16 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 2ux0 h LYS 396 Cb -0.00 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 2ux0 h LYS 396 CO -0.03 0.68 0.04 0.37 -0.57 0.00 0.00 179.45 179.94 2ux0 h GLN 397 N 1.06 0.80 -0.72 3.15 5.75 -0.45 -2.23 115.11 122.46 2ux0 h GLN 397 Ca 0.36 -0.20 0.06 0.00 -0.15 0.00 0.00 58.65 58.72 2ux0 h GLN 397 Cb 0.06 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 28.45 2ux0 h GLN 397 CO -0.14 0.78 0.42 1.49 -2.65 0.00 0.00 178.83 178.73 2ux0 h GLU 398 N 0.76 0.75 -0.06 1.69 4.81 0.23 -0.19 114.58 122.57 2ux0 h GLU 398 Ca 0.15 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.18 2ux0 h GLU 398 Cb 0.40 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2ux0 h GLU 398 CO 0.01 0.50 -0.66 0.82 -0.73 0.00 0.00 179.01 178.95 2ux0 h ILE 399 N 0.77 1.41 -0.15 2.32 1.08 -1.01 -2.46 117.51 119.46 2ux0 h ILE 399 Ca 0.32 -2.11 -0.06 0.00 -0.39 0.00 0.00 64.86 62.62 2ux0 h ILE 399 Cb 0.18 2.09 -0.00 0.00 -3.07 0.00 0.00 36.82 36.02 2ux0 h ILE 399 CO -0.18 0.62 -0.12 0.40 -0.69 0.00 0.00 178.15 178.19 2ux0 h ILE 400 N 0.17 1.33 -0.37 -0.67 2.04 -0.94 -1.75 117.51 117.33 2ux0 h ILE 400 Ca -0.01 -1.23 0.05 0.00 1.00 0.00 0.00 64.86 64.66 2ux0 h ILE 400 Cb 1.19 1.80 -0.05 0.00 -0.74 0.00 0.00 36.82 39.03 2ux0 h ILE 400 CO 0.10 0.36 0.09 0.50 0.00 0.00 0.00 178.15 179.21 2ux0 h LYS 401 N 0.00 0.21 -0.49 2.37 3.64 -0.95 0.31 116.57 121.66 2ux0 h LYS 401 Ca 0.03 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 2ux0 h LYS 401 Cb 0.63 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 2ux0 h LYS 401 CO 0.03 0.14 -0.17 0.97 -2.27 0.00 0.00 179.45 178.16 2ux0 h ILE 402 N 0.22 1.27 -0.62 2.00 6.09 -1.44 -0.58 117.51 124.44 2ux0 h ILE 402 Ca 0.17 -1.31 0.02 0.00 -1.37 0.00 0.00 64.86 62.37 2ux0 h ILE 402 Cb 0.19 1.07 -0.03 0.00 0.47 0.00 0.00 36.82 38.51 2ux0 h ILE 402 CO -0.21 0.45 0.40 0.74 -3.07 0.00 0.00 178.15 176.46 2ux0 h THR 403 N 0.83 1.12 -0.69 2.19 2.02 -0.88 -0.59 112.91 116.92 2ux0 h THR 403 Ca 0.12 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 2ux0 h THR 403 Cb 0.72 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 2ux0 h THR 403 CO 0.06 0.15 0.32 -0.33 0.37 0.00 0.00 175.52 176.08 2ux0 h GLU 404 N 0.81 0.99 -0.37 6.66 5.08 -0.38 -2.08 114.58 125.29 2ux0 h GLU 404 Ca 0.24 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 2ux0 h GLU 404 Cb -0.05 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2ux0 h GLU 404 CO -0.07 0.78 -0.26 1.96 -1.00 0.00 0.00 179.01 180.42 2ux0 h GLN 405 N 0.99 0.76 -0.72 2.33 4.20 -0.65 -1.66 115.11 120.37 2ux0 h GLN 405 Ca 0.24 -0.32 0.01 0.00 0.06 0.00 0.00 58.65 58.63 2ux0 h GLN 405 Cb 0.12 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 2ux0 h GLN 405 CO -0.03 0.94 0.48 1.25 -0.67 0.00 0.00 178.83 180.80 2ux0 h LEU 406 N 0.66 0.82 -0.70 1.46 5.85 -0.69 -1.39 115.31 121.33 2ux0 h LEU 406 Ca 0.08 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 2ux0 h LEU 406 Cb 0.77 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2ux0 h LEU 406 CO 0.06 0.60 -0.28 0.40 -0.34 0.00 0.00 178.44 178.88 2ux0 h ILE 407 N 0.97 1.28 -0.57 4.05 2.04 -1.18 -1.58 117.51 122.53 2ux0 h ILE 407 Ca 0.26 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 2ux0 h ILE 407 Cb -0.11 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 2ux0 h ILE 407 CO -0.06 0.46 0.30 -0.08 0.00 0.00 0.00 178.15 178.77 2ux0 h GLU 408 N 0.59 0.80 -0.82 2.37 4.57 -0.97 -0.30 114.58 120.82 2ux0 h GLU 408 Ca 0.07 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2ux0 h GLU 408 Cb 0.78 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 29.18 2ux0 h GLU 408 CO 0.06 0.62 0.50 0.00 -1.18 0.00 0.00 179.01 179.01 2ux0 h ALA 409 N 1.13 1.05 -0.20 2.92 0.00 -0.90 -0.47 119.26 122.79 2ux0 h ALA 409 Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2ux0 h ALA 409 Cb 0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2ux0 h ALA 409 CO -0.03 0.51 0.05 0.82 0.00 0.00 0.00 179.25 180.60 2ux0 h ILE 410 N 1.13 1.21 -0.61 0.00 2.04 -0.96 -0.16 117.51 120.16 2ux0 h ILE 410 Ca 0.30 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 2ux0 h ILE 410 Cb -0.04 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 2ux0 h ILE 410 CO -0.06 0.21 0.15 0.78 0.00 0.00 0.00 178.15 179.23 2ux0 h ASN 411 N 0.14 0.88 1.23 1.72 2.35 -0.77 -2.48 115.58 118.64 2ux0 h ASN 411 Ca 0.06 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2ux0 h ASN 411 Cb 0.27 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2ux0 h ASN 411 CO 0.00 0.85 0.00 0.78 -1.65 0.00 0.00 177.43 177.41 2ux0 h ASN 412 N 0.90 0.00 -1.12 5.81 2.35 -1.07 -3.47 115.58 118.99 2ux0 h ASN 412 Ca 0.20 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.81 2ux0 h ASN 412 Cb 0.31 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 2ux0 h ASN 412 CO -0.00 0.00 -0.18 0.61 -1.65 0.00 0.00 177.43 176.21 2ux0 n GLY 413 N 0.78 0.11 3.43 2.83 0.00 -0.71 -4.56 105.19 107.06 2ux0 n GLY 413 Ca 0.04 -0.58 -0.44 0.00 0.00 0.00 0.00 46.02 45.04 2ux0 n GLY 413 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ux0 s ASP 414 N -2.72 6.38 0.25 1.61 3.68 -0.15 -4.49 116.67 121.24 2ux0 s ASP 414 Ca 0.01 -1.59 0.12 0.00 2.13 0.00 0.00 52.55 53.23 2ux0 s ASP 414 Cb -0.01 -2.38 0.23 0.00 -1.45 0.00 0.00 42.92 39.32 2ux0 s ASP 414 CO 0.02 -1.18 1.52 0.15 0.13 0.00 0.00 175.17 175.81 2ux0 h PHE 415 N 9.11 0.00 -0.22 -5.34 3.57 -1.95 -1.56 116.94 120.55 2ux0 h PHE 415 Ca -0.09 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.34 2ux0 h PHE 415 Cb 1.05 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 2ux0 h PHE 415 CO 1.02 0.65 -0.10 0.93 -2.23 0.00 0.00 178.31 178.58 2ux0 h GLU 416 N 0.00 0.46 -0.55 1.11 3.07 -1.97 0.20 114.58 116.90 2ux0 h GLU 416 Ca -0.01 -0.20 0.01 0.00 -0.50 0.00 0.00 59.36 58.66 2ux0 h GLU 416 Cb 1.28 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.15 2ux0 h GLU 416 CO 0.08 0.73 0.36 0.00 -1.40 0.00 0.00 179.01 178.79 2ux0 h ALA 417 N 0.71 0.69 0.06 3.43 0.00 -1.95 -2.02 119.26 120.17 2ux0 h ALA 417 Ca 0.05 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2ux0 h ALA 417 Cb 0.60 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2ux0 h ALA 417 CO 0.03 0.13 -0.12 -0.92 0.00 0.00 0.00 179.25 178.37 2ux0 h TYR 418 N 0.74 -0.31 0.00 0.00 3.20 -0.92 -2.23 116.97 117.45 2ux0 h TYR 418 Ca 0.20 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 2ux0 h TYR 418 Cb -0.09 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 2ux0 h TYR 418 CO -0.04 -0.18 -0.15 1.79 -1.64 0.00 0.00 178.16 177.94 2ux0 h THR 419 N -0.23 0.46 -0.02 1.81 1.35 -0.47 -1.40 112.91 114.41 2ux0 h THR 419 Ca 0.03 -0.78 -0.14 0.00 -0.55 0.00 0.00 66.41 64.96 2ux0 h THR 419 Cb 0.26 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 2ux0 h THR 419 CO -0.08 0.15 -0.65 0.50 -0.25 0.00 0.00 175.52 175.19 2ux0 h LYS 420 N 0.00 0.07 0.00 4.72 1.63 -0.90 -3.26 116.57 118.83 2ux0 h LYS 420 Ca -0.00 -0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 59.67 2ux0 h LYS 420 Cb 0.54 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 2ux0 h LYS 420 CO 0.02 0.69 -1.26 -0.89 -3.45 0.00 0.00 179.45 174.57 2ux0 n ILE 421 N -3.79 0.82 -3.99 2.00 5.41 -0.82 -4.91 119.36 114.07 2ux0 n ILE 421 Ca -0.02 -0.61 -0.35 0.00 1.00 0.00 0.00 62.75 62.77 2ux0 n ILE 421 Cb 0.64 -0.47 -0.06 0.00 -0.71 0.00 0.00 39.64 39.03 2ux0 n ILE 421 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ux0 s ASP 423 N -1.32 6.79 0.60 0.00 2.15 -0.25 -4.79 116.67 119.84 2ux0 s ASP 423 Ca 0.19 2.61 0.31 0.00 0.43 0.00 0.00 52.55 56.08 2ux0 s ASP 423 Cb -0.12 -2.63 1.78 0.00 -0.30 0.00 0.00 42.92 41.64 2ux0 s ASP 423 CO 0.09 -0.56 2.16 -0.65 -0.17 0.00 0.00 175.17 176.04 2ux0 h PRO 424 N 4.17 0.00 -0.60 4.34 0.11 -1.88 0.19 132.00 138.33 2ux0 h PRO 424 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2ux0 h PRO 424 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2ux0 h PRO 424 CO 0.71 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.91 2ux0 n GLY 425 N -1.34 1.68 3.61 -0.55 0.00 -1.26 -4.75 105.19 102.57 2ux0 n GLY 425 Ca -0.00 -0.49 -0.51 0.00 0.00 0.00 0.00 46.02 45.02 2ux0 n GLY 425 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ux0 n LEU 426 N 0.52 1.91 -4.77 0.99 7.94 0.05 -4.89 117.00 118.77 2ux0 n LEU 426 Ca 0.15 1.11 -0.25 0.00 -1.11 0.00 0.00 56.01 55.91 2ux0 n LEU 426 Cb 0.58 -1.22 -0.06 0.00 0.53 0.00 0.00 43.42 43.25 2ux0 n LEU 426 CO 0.14 -0.89 -0.24 0.42 -1.11 0.00 0.00 177.39 175.71 2ux0 s THR 427 N 0.74 4.25 -0.14 1.96 -4.23 -0.71 -0.84 115.64 116.68 2ux0 s THR 427 Ca 0.84 -1.27 -0.08 0.00 -1.18 0.00 0.00 61.69 60.00 2ux0 s THR 427 Cb -0.92 -3.20 0.05 0.00 1.34 0.00 0.00 72.50 69.78 2ux0 s THR 427 CO 0.46 -0.17 0.34 -0.55 -0.54 0.00 0.00 174.62 174.16 2ux0 s SER 428 N -3.25 -0.39 -0.23 3.99 0.15 -0.22 -1.93 113.70 111.81 2ux0 s SER 428 Ca 0.31 0.72 -0.10 0.00 0.70 0.00 0.00 55.95 57.58 2ux0 s SER 428 Cb -0.09 0.62 -0.05 0.00 -1.71 0.00 0.00 66.02 64.79 2ux0 s SER 428 CO 0.22 -0.17 0.13 -0.36 1.20 0.00 0.00 173.24 174.27 2ux0 s PHE 429 N 1.13 3.27 0.09 3.44 2.99 0.00 -1.62 117.98 127.28 2ux0 s PHE 429 Ca -0.08 0.11 -0.25 0.00 0.00 0.00 0.00 56.93 56.71 2ux0 s PHE 429 Cb -0.08 -2.24 0.07 0.00 0.00 0.00 0.00 43.02 40.77 2ux0 s PHE 429 CO -0.09 0.02 0.63 -1.83 -0.00 0.00 0.00 175.22 173.94 2ux0 s GLU 430 N 1.04 1.21 0.46 0.44 -1.05 -1.26 -0.76 118.70 118.78 2ux0 s GLU 430 Ca 0.06 -0.25 0.18 0.00 -0.15 0.00 0.00 54.97 54.82 2ux0 s GLU 430 Cb -0.14 0.56 1.15 0.00 -0.44 0.00 0.00 34.13 35.27 2ux0 s GLU 430 CO 0.04 -0.49 1.95 -1.35 0.95 0.00 0.00 175.26 176.36 2ux0 h PRO 431 N 2.30 0.29 0.00 -4.83 0.11 -1.90 0.14 132.00 128.10 2ux0 h PRO 431 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2ux0 h PRO 431 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2ux0 h PRO 431 CO 0.38 0.19 0.00 0.39 -0.21 0.00 0.00 178.00 178.75 2ux0 n GLU 432 N -4.45 0.17 -0.05 1.05 -0.58 -1.26 -2.65 120.64 112.87 2ux0 n GLU 432 Ca 0.13 0.23 0.12 0.00 -0.42 0.00 0.00 57.16 57.22 2ux0 n GLU 432 Cb 0.54 -1.73 0.36 0.00 -0.57 0.00 0.00 31.44 30.04 2ux0 n GLU 432 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ux0 n ALA 433 N -1.70 2.52 -3.68 0.62 0.00 0.48 -4.98 120.51 113.76 2ux0 n ALA 433 Ca 0.05 -0.59 -0.24 0.00 0.00 0.00 0.00 53.44 52.65 2ux0 n ALA 433 Cb 0.33 -1.03 0.06 0.00 0.00 0.00 0.00 19.45 18.81 2ux0 n ALA 433 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ux0 n LEU 434 N 0.62 -3.21 0.00 0.00 4.77 -1.08 -2.00 117.00 116.11 2ux0 n LEU 434 Ca 0.17 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 2ux0 n LEU 434 Cb 0.43 -2.86 0.00 0.00 -2.33 0.00 0.00 43.42 38.66 2ux0 n LEU 434 CO 0.15 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 2ux0 n GLY 435 N -1.72 0.85 3.94 -0.72 0.00 -1.26 -5.03 105.19 101.25 2ux0 n GLY 435 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 2ux0 n GLY 435 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ux0 s ASN 436 N -2.82 6.35 -0.18 1.61 0.01 -0.84 -5.07 114.94 114.00 2ux0 s ASN 436 Ca 0.00 0.25 -0.19 0.00 -0.71 0.00 0.00 52.86 52.21 2ux0 s ASN 436 Cb 0.00 -1.95 -0.03 0.00 0.41 0.00 0.00 41.25 39.68 2ux0 s ASN 436 CO 0.00 0.01 0.54 -0.22 -1.51 0.00 0.00 177.10 175.92 2ux0 s LEU 437 N -3.29 4.18 0.13 0.60 2.96 -1.26 -4.51 118.68 117.49 2ux0 s LEU 437 Ca 0.36 0.75 0.10 0.00 -0.22 0.00 0.00 54.13 55.12 2ux0 s LEU 437 Cb -0.11 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 2ux0 s LEU 437 CO 0.29 -0.16 -0.21 0.68 -1.32 0.00 0.00 176.35 175.63 2ux0 s VAL 438 N 1.47 2.62 -0.49 1.68 -7.23 -0.64 -4.92 120.40 112.88 2ux0 s VAL 438 Ca 0.26 -1.65 -0.28 0.00 -1.81 0.00 0.00 61.98 58.50 2ux0 s VAL 438 Cb -0.16 -2.20 -0.00 0.00 0.56 0.00 0.00 36.38 34.58 2ux0 s VAL 438 CO 0.10 0.06 1.61 -1.61 -0.31 0.00 0.00 175.10 174.96 2ux0 s GLU 439 N -2.21 3.19 0.55 4.82 2.02 -1.26 -1.06 118.70 124.76 2ux0 s GLU 439 Ca 0.17 0.80 0.28 0.00 0.02 0.00 0.00 54.97 56.25 2ux0 s GLU 439 Cb -0.10 -4.19 1.46 0.00 0.10 0.00 0.00 34.13 31.40 2ux0 s GLU 439 CO 0.09 -2.05 1.94 0.78 0.02 0.00 0.00 175.26 176.04 2ux0 h GLY 440 N 13.89 0.00 1.42 -1.39 0.00 -1.28 -2.91 103.07 112.80 2ux0 h GLY 440 Ca -0.28 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.80 2ux0 h GLY 440 CO 1.14 0.00 -1.02 -0.33 0.00 0.00 0.00 176.54 176.33 2ux0 h MET 441 N 0.00 0.51 -0.06 4.80 2.86 -1.86 -1.60 114.93 119.58 2ux0 h MET 441 Ca 0.28 -0.57 -0.19 0.00 -2.06 0.00 0.00 59.70 57.16 2ux0 h MET 441 Cb 1.24 0.17 0.01 0.00 0.06 0.00 0.00 31.60 33.08 2ux0 h MET 441 CO -0.00 1.20 -0.70 0.22 1.06 0.00 0.00 176.91 178.69 2ux0 h ASP 442 N 0.27 0.72 0.39 1.22 3.58 -1.91 -3.20 116.42 117.50 2ux0 h ASP 442 Ca -0.11 -0.69 -0.10 0.00 0.42 0.00 0.00 57.03 56.54 2ux0 h ASP 442 Cb 1.67 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 42.49 2ux0 h ASP 442 CO 0.19 1.31 -0.46 0.15 -2.88 0.00 0.00 179.24 177.54 2ux0 h PHE 443 N 0.19 0.11 0.00 0.28 3.04 -1.55 -3.00 116.94 116.01 2ux0 h PHE 443 Ca -0.07 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.85 2ux0 h PHE 443 Cb 1.36 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.85 2ux0 h PHE 443 CO 0.12 0.54 -0.37 0.45 -2.02 0.00 0.00 178.31 177.03 2ux0 h HIS 444 N 0.07 0.00 -0.99 0.41 3.86 -1.40 -3.31 115.15 113.80 2ux0 h HIS 444 Ca 0.00 0.00 0.25 0.00 -1.16 0.00 0.00 60.37 59.46 2ux0 h HIS 444 Cb 0.85 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.19 2ux0 h HIS 444 CO 0.01 0.01 0.57 0.87 0.86 0.00 0.00 177.93 180.24 2ux0 h LYS 445 N 0.00 0.53 -0.66 2.45 1.57 -1.51 -1.51 116.57 117.45 2ux0 h LYS 445 Ca -0.00 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2ux0 h LYS 445 Cb 1.01 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 2ux0 h LYS 445 CO 0.00 0.35 0.29 0.35 -0.57 0.00 0.00 179.45 179.87 2ux0 h PHE 446 N 0.55 0.95 0.00 -1.35 3.57 -1.75 -0.32 116.94 118.59 2ux0 h PHE 446 Ca 0.64 -0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.98 2ux0 h PHE 446 Cb 1.23 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 2ux0 h PHE 446 CO -0.02 0.71 -0.53 1.88 -2.23 0.00 0.00 178.31 178.11 2ux0 h TYR 447 N 0.94 0.00 0.05 0.41 -1.99 -1.51 -1.83 116.97 113.04 2ux0 h TYR 447 Ca 0.23 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.84 2ux0 h TYR 447 Cb 0.14 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.88 2ux0 h TYR 447 CO 0.01 0.53 -0.50 0.74 -0.00 0.00 0.00 178.16 178.95 2ux0 h PHE 448 N 0.00 0.40 -0.51 4.88 -1.00 -1.21 -0.55 116.94 118.95 2ux0 h PHE 448 Ca -0.01 -0.25 -0.00 0.00 2.81 0.00 0.00 57.97 60.52 2ux0 h PHE 448 Cb 1.21 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 40.72 2ux0 h PHE 448 CO 0.00 1.14 0.30 0.93 -1.61 0.00 0.00 178.31 179.07 2ux0 h GLU 449 N -0.45 0.69 0.00 1.51 5.08 -1.07 -3.22 114.58 117.11 2ux0 h GLU 449 Ca -0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2ux0 h GLU 449 Cb 1.31 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2ux0 h GLU 449 CO 0.10 0.49 0.00 0.09 -1.00 0.00 0.00 179.01 178.68 2ux0 n ASN 450 N -4.43 1.85 0.08 1.42 3.02 -0.69 -4.88 115.26 111.63 2ux0 n ASN 450 Ca 0.04 -1.85 0.00 0.00 -0.03 0.00 0.00 54.58 52.75 2ux0 n ASN 450 Cb 0.08 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 2ux0 n ASN 450 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2ux0 n LEU 451 N -0.42 -1.23 -0.12 3.41 7.94 -0.98 -4.96 117.00 120.63 2ux0 n LEU 451 Ca 0.00 0.29 -0.06 0.00 -1.11 0.00 0.00 56.01 55.13 2ux0 n LEU 451 Cb 0.21 1.43 0.12 0.00 0.53 0.00 0.00 43.42 45.71 2ux0 n LEU 451 CO 0.00 -0.29 0.81 -0.07 -1.11 0.00 0.00 177.39 176.73 2ux0 h LEU 452 N 0.00 0.81 0.00 -1.96 3.38 -1.27 -2.64 115.31 113.63 2ux0 h LEU 452 Ca 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2ux0 h LEU 452 Cb 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2ux0 h LEU 452 CO 0.00 0.92 0.00 -1.54 0.09 0.00 0.00 178.44 177.91 2ux0 n SER 453 N -4.17 0.00 0.00 -0.43 3.41 -1.21 -3.72 113.62 107.49 2ux0 n SER 453 Ca 0.02 0.64 0.03 0.00 -0.26 0.00 0.00 58.87 59.30 2ux0 n SER 453 Cb 0.35 -0.14 0.18 0.00 -0.26 0.00 0.00 64.21 64.34 2ux0 n SER 453 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ux0 n LYS 454 N -1.02 0.19 -2.24 4.33 4.01 -1.19 -4.65 118.16 117.58 2ux0 n LYS 454 Ca 0.00 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.38 2ux0 n LYS 454 Cb 0.00 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.00 2ux0 n LYS 454 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 2ux0 s ASN 455 N -2.00 6.90 0.00 4.39 2.47 -1.00 -4.92 114.94 120.78 2ux0 s ASN 455 Ca 0.09 2.26 0.00 0.00 0.42 0.00 0.00 52.86 55.63 2ux0 s ASN 455 Cb 0.04 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 2ux0 s ASN 455 CO 0.07 -0.58 0.68 -1.54 -3.72 0.00 0.00 177.10 172.01 2ux0 n SER 456 N 3.70 1.31 -4.74 -4.21 3.41 -1.26 -5.05 113.62 106.78 2ux0 n SER 456 Ca 0.10 -1.42 -0.41 0.00 -0.26 0.00 0.00 58.87 56.88 2ux0 n SER 456 Cb 0.43 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 2ux0 n SER 456 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2ux0 s LYS 457 N -0.42 4.41 0.52 4.33 3.01 -1.26 -4.97 119.74 125.35 2ux0 s LYS 457 Ca 0.00 2.05 -0.21 0.00 -1.01 0.00 0.00 55.97 56.80 2ux0 s LYS 457 Cb 0.00 -3.18 -0.06 0.00 -1.01 0.00 0.00 37.83 33.58 2ux0 s LYS 457 CO 0.00 -0.21 1.20 -2.14 0.51 0.00 0.00 175.35 174.71 2ux0 s PRO 458 N -0.43 3.41 -0.16 -1.68 0.02 -1.26 -4.99 135.00 129.92 2ux0 s PRO 458 Ca 0.55 1.83 -0.08 0.00 0.02 0.00 0.00 61.00 63.32 2ux0 s PRO 458 Cb -0.36 -2.21 0.06 0.00 0.02 0.00 0.00 34.50 32.01 2ux0 s PRO 458 CO 0.40 -0.85 0.37 0.96 -0.33 0.00 0.00 177.00 177.55 2ux0 s ILE 459 N -1.55 -0.11 -0.25 2.83 -4.36 -1.26 -4.04 121.20 112.46 2ux0 s ILE 459 Ca 0.70 0.12 -0.04 0.00 -0.26 0.00 0.00 60.65 61.17 2ux0 s ILE 459 Cb -0.30 -0.56 0.00 0.00 1.25 0.00 0.00 42.46 42.85 2ux0 s ILE 459 CO 0.35 0.05 -0.01 -2.28 0.24 0.00 0.00 174.94 173.29 2ux0 s HIS 460 N 1.55 3.03 -0.13 1.37 2.46 -0.60 -4.97 115.29 118.01 2ux0 s HIS 460 Ca -0.08 -1.06 -0.12 0.00 0.47 0.00 0.00 55.06 54.26 2ux0 s HIS 460 Cb -0.09 -2.14 -0.05 0.00 -0.13 0.00 0.00 32.58 30.17 2ux0 s HIS 460 CO -0.12 -0.59 0.27 0.99 -2.47 0.00 0.00 174.74 172.82 2ux0 s THR 461 N 1.46 5.31 -0.09 0.89 2.01 -1.26 -0.73 115.64 123.22 2ux0 s THR 461 Ca 0.04 0.50 0.04 0.00 0.31 0.00 0.00 61.69 62.58 2ux0 s THR 461 Cb -0.16 -3.59 -0.00 0.00 0.01 0.00 0.00 72.50 68.77 2ux0 s THR 461 CO -0.02 0.47 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.26 2ux0 s THR 462 N -0.08 1.99 -0.27 -0.82 2.01 0.97 -4.99 115.64 114.44 2ux0 s THR 462 Ca 0.17 -0.99 -0.08 0.00 0.31 0.00 0.00 61.69 61.10 2ux0 s THR 462 Cb -0.13 -1.72 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 2ux0 s THR 462 CO 0.05 0.55 0.08 -0.63 -0.69 0.00 0.00 174.62 173.98 2ux0 s ILE 463 N 0.26 4.25 -0.11 1.82 1.01 -1.26 -0.97 121.20 126.20 2ux0 s ILE 463 Ca -0.16 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.10 2ux0 s ILE 463 Cb -0.17 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 2ux0 s ILE 463 CO 0.08 0.23 0.01 -0.76 0.00 0.00 0.00 174.94 174.49 2ux0 s LEU 464 N 1.58 3.57 -1.32 2.97 1.43 0.76 -4.74 118.68 122.93 2ux0 s LEU 464 Ca 0.05 0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.21 2ux0 s LEU 464 Cb -0.16 -1.84 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 2ux0 s LEU 464 CO 0.04 0.31 0.60 0.59 0.23 0.00 0.00 176.35 178.12 2ux0 n ASN 465 N 2.59 -1.46 -4.76 2.29 3.02 -1.26 -2.32 115.26 113.36 2ux0 n ASN 465 Ca -0.18 -0.92 -0.35 0.00 -0.03 0.00 0.00 54.58 53.10 2ux0 n ASN 465 Cb 0.53 -3.60 0.03 0.00 -0.61 0.00 0.00 39.78 36.13 2ux0 n ASN 465 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2ux0 s PRO 466 N -6.17 2.95 -0.04 3.52 0.04 -1.26 -4.68 135.00 129.36 2ux0 s PRO 466 Ca 0.07 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2ux0 s PRO 466 Cb -0.02 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.61 2ux0 s PRO 466 CO 0.85 -1.20 0.00 -1.58 0.04 0.00 0.00 177.00 175.11 2ux0 s HIS 467 N -1.73 0.37 -0.11 0.56 2.46 -0.05 -5.00 115.29 111.78 2ux0 s HIS 467 Ca 0.75 -0.01 0.02 0.00 0.47 0.00 0.00 55.06 56.29 2ux0 s HIS 467 Cb -0.28 -0.48 -0.01 0.00 -0.13 0.00 0.00 32.58 31.68 2ux0 s HIS 467 CO 0.34 -0.16 -0.18 0.08 -2.47 0.00 0.00 174.74 172.35 2ux0 s VAL 468 N 1.22 2.65 -0.28 0.89 1.01 -1.26 -1.05 120.40 123.58 2ux0 s VAL 468 Ca -0.07 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 2ux0 s VAL 468 Cb -0.13 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 2ux0 s VAL 468 CO -0.02 0.55 0.09 -1.00 0.00 0.00 0.00 175.10 174.72 2ux0 s HIS 469 N 0.21 3.12 -0.26 5.22 3.76 0.26 -4.98 115.29 122.61 2ux0 s HIS 469 Ca -0.11 -0.63 -0.23 0.00 -0.15 0.00 0.00 55.06 53.95 2ux0 s HIS 469 Cb -0.16 -2.27 -0.01 0.00 1.11 0.00 0.00 32.58 31.25 2ux0 s HIS 469 CO 0.06 -0.45 0.74 0.08 -0.85 0.00 0.00 174.74 174.32 2ux0 s VAL 470 N 1.58 4.89 -0.62 -0.90 1.01 -1.26 -1.35 120.40 123.75 2ux0 s VAL 470 Ca 0.05 1.31 0.03 0.00 0.00 0.00 0.00 61.98 63.37 2ux0 s VAL 470 Cb -0.16 -4.05 0.37 0.00 0.00 0.00 0.00 36.38 32.54 2ux0 s VAL 470 CO 0.04 -0.07 1.28 -0.38 0.00 0.00 0.00 175.10 175.97 2ux0 n ILE 471 N 5.29 3.25 0.00 2.22 5.41 -0.52 -4.99 119.36 130.01 2ux0 n ILE 471 Ca 0.03 -5.20 0.00 0.00 1.00 0.00 0.00 62.75 58.58 2ux0 n ILE 471 Cb 0.48 -1.34 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 2ux0 n ILE 471 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ux0 n GLY 472 N -0.36 0.44 0.36 7.39 0.00 -1.25 -4.16 105.19 107.61 2ux0 n GLY 472 Ca 0.39 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.52 2ux0 n GLY 472 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ux0 h GLU 473 N 0.00 0.50 -0.03 1.61 4.39 -2.03 -3.13 114.58 115.88 2ux0 h GLU 473 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2ux0 h GLU 473 Cb 0.00 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 2ux0 h GLU 473 CO 0.00 0.33 0.00 -0.25 -1.16 0.00 0.00 179.01 177.93 2ux0 n ASP 474 N -4.48 1.82 -4.01 1.42 8.00 -1.26 -4.96 116.55 113.08 2ux0 n ASP 474 Ca 0.12 -1.72 -0.15 0.00 0.71 0.00 0.00 54.79 53.75 2ux0 n ASP 474 Cb 0.39 -0.02 -0.13 0.00 -0.02 0.00 0.00 41.12 41.33 2ux0 n ASP 474 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ux0 s ALA 475 N -0.74 0.57 0.32 2.24 0.00 -1.18 -1.00 121.76 121.97 2ux0 s ALA 475 Ca 0.03 -0.47 -0.11 0.00 0.00 0.00 0.00 51.96 51.41 2ux0 s ALA 475 Cb 0.02 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.08 2ux0 s ALA 475 CO 0.02 0.08 0.58 0.00 0.00 0.00 0.00 175.76 176.44 2ux0 s ALA 476 N -0.62 -0.11 -0.23 0.00 0.00 -0.66 -1.44 121.76 118.70 2ux0 s ALA 476 Ca -0.02 -1.02 -0.12 0.00 0.00 0.00 0.00 51.96 50.80 2ux0 s ALA 476 Cb -0.05 0.97 0.08 0.00 0.00 0.00 0.00 23.12 24.12 2ux0 s ALA 476 CO 0.00 -0.88 0.54 0.00 0.00 0.00 0.00 175.76 175.42 2ux0 s ILE 478 N 1.73 1.91 -0.09 0.00 2.07 -0.04 -0.57 121.20 126.21 2ux0 s ILE 478 Ca -0.09 -0.97 0.04 0.00 -1.41 0.00 0.00 60.65 58.22 2ux0 s ILE 478 Cb -0.08 -1.63 -0.01 0.00 0.13 0.00 0.00 42.46 40.88 2ux0 s ILE 478 CO -0.16 0.53 -0.23 0.00 -1.91 0.00 0.00 174.94 173.17 2ux0 s ALA 479 N 0.02 2.23 0.10 1.50 0.00 -0.22 -0.80 121.76 124.59 2ux0 s ALA 479 Ca -0.08 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 50.72 2ux0 s ALA 479 Cb -0.14 -0.82 0.04 0.00 0.00 0.00 0.00 23.12 22.20 2ux0 s ALA 479 CO 0.05 0.33 0.44 1.52 0.00 0.00 0.00 175.76 178.10 2ux0 s TYR 480 N 0.17 -0.29 -0.13 0.00 -0.85 -0.20 -0.88 117.35 115.18 2ux0 s TYR 480 Ca -0.13 0.10 -0.11 0.00 -0.52 0.00 0.00 57.07 56.41 2ux0 s TYR 480 Cb -0.16 0.29 -0.05 0.00 0.38 0.00 0.00 41.96 42.42 2ux0 s TYR 480 CO 0.07 -0.68 0.22 0.42 -1.52 0.00 0.00 175.55 174.06 2ux0 s ILE 481 N -3.30 5.36 -0.24 -3.49 1.01 -0.98 -0.57 121.20 118.99 2ux0 s ILE 481 Ca -0.00 0.39 -0.01 0.00 0.00 0.00 0.00 60.65 61.02 2ux0 s ILE 481 Cb 0.01 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 38.98 2ux0 s ILE 481 CO -0.08 0.52 -0.07 -0.60 0.00 0.00 0.00 174.94 174.71 2ux0 s ARG 482 N -0.36 2.84 -0.16 2.79 3.52 0.59 -0.17 118.95 128.01 2ux0 s ARG 482 Ca 0.15 -0.97 -0.11 0.00 -0.13 0.00 0.00 55.73 54.67 2ux0 s ARG 482 Cb -0.13 -2.97 -0.05 0.00 -1.56 0.00 0.00 34.95 30.25 2ux0 s ARG 482 CO 0.04 -0.39 0.21 -0.51 -0.81 0.00 0.00 175.30 173.84 2ux0 s LEU 483 N 1.32 4.27 -0.19 -0.88 1.43 -0.14 -1.00 118.68 123.49 2ux0 s LEU 483 Ca 0.00 0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 2ux0 s LEU 483 Cb -0.16 -2.23 0.04 0.00 0.03 0.00 0.00 46.19 43.86 2ux0 s LEU 483 CO -0.05 0.20 -0.13 -0.89 0.23 0.00 0.00 176.35 175.71 2ux0 s THR 484 N 0.08 1.72 0.04 5.49 2.01 -0.16 -0.02 115.64 124.79 2ux0 s THR 484 Ca 0.14 -0.96 -0.19 0.00 0.31 0.00 0.00 61.69 60.98 2ux0 s THR 484 Cb -0.12 -1.72 -0.06 0.00 0.01 0.00 0.00 72.50 70.60 2ux0 s THR 484 CO 0.02 0.27 0.56 -1.10 -0.69 0.00 0.00 174.62 173.69 2ux0 s GLN 485 N 1.38 4.23 0.33 4.92 -0.21 0.09 -1.48 119.66 128.93 2ux0 s GLN 485 Ca 0.00 0.71 -0.15 0.00 0.02 0.00 0.00 55.36 55.94 2ux0 s GLN 485 Cb -0.15 -3.28 0.03 0.00 1.00 0.00 0.00 33.01 30.61 2ux0 s GLN 485 CO -0.09 0.54 0.68 1.52 -2.12 0.00 0.00 175.29 175.82 2ux0 s TYR 486 N -0.74 0.17 -0.08 0.91 -0.85 -0.62 -1.56 117.35 114.58 2ux0 s TYR 486 Ca 0.29 -0.68 0.02 0.00 -0.52 0.00 0.00 57.07 56.18 2ux0 s TYR 486 Cb -0.19 0.59 -0.02 0.00 0.38 0.00 0.00 41.96 42.73 2ux0 s TYR 486 CO 0.18 -1.33 -0.15 0.42 -1.52 0.00 0.00 175.55 173.14 2ux0 s ILE 487 N -3.15 2.90 0.61 -3.49 -1.09 -1.26 -0.66 121.20 115.07 2ux0 s ILE 487 Ca 0.17 -0.75 0.06 0.00 -2.23 0.00 0.00 60.65 57.90 2ux0 s ILE 487 Cb -0.04 -2.16 0.09 0.00 -1.58 0.00 0.00 42.46 38.77 2ux0 s ILE 487 CO 0.11 0.56 0.85 1.51 -1.23 0.00 0.00 174.94 176.73 2ux0 s ASP 488 N -0.20 4.88 0.22 3.58 3.84 0.19 -4.97 116.67 124.22 2ux0 s ASP 488 Ca -0.00 -0.63 -0.08 0.00 -0.00 0.00 0.00 52.55 51.83 2ux0 s ASP 488 Cb -0.13 0.10 0.27 0.00 -1.38 0.00 0.00 42.92 41.78 2ux0 s ASP 488 CO 0.03 -1.48 1.82 1.23 -0.00 0.00 0.00 175.17 176.78 2ux0 h GLY 489 N -0.03 1.08 1.51 2.12 0.00 -2.01 -0.83 103.07 104.91 2ux0 h GLY 489 Ca -0.33 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2ux0 h GLY 489 CO 0.41 0.19 0.00 0.61 0.00 0.00 0.00 176.54 177.75 2ux0 n GLN 490 N -4.74 0.22 0.00 4.80 10.64 -1.26 -4.85 117.38 122.19 2ux0 n GLN 490 Ca 0.10 0.14 0.00 0.00 -1.83 0.00 0.00 57.00 55.41 2ux0 n GLN 490 Cb 0.18 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.06 2ux0 n GLN 490 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2ux0 n GLY 491 N -0.13 2.21 3.79 2.61 0.00 -0.32 -5.07 105.19 108.28 2ux0 n GLY 491 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2ux0 n GLY 491 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ux0 s ARG 492 N -0.78 3.45 0.04 1.61 1.04 -1.26 -4.55 118.95 118.51 2ux0 s ARG 492 Ca 0.00 1.36 -0.14 0.00 -1.04 0.00 0.00 55.73 55.91 2ux0 s ARG 492 Cb 0.00 -2.04 -0.06 0.00 -2.04 0.00 0.00 34.95 30.81 2ux0 s ARG 492 CO 0.00 -0.72 0.44 -1.25 -0.04 0.00 0.00 175.30 173.72 2ux0 s PRO 493 N -3.61 3.91 0.16 3.89 0.04 -1.26 0.55 135.00 138.68 2ux0 s PRO 493 Ca 0.67 0.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.10 2ux0 s PRO 493 Cb -0.18 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 2ux0 s PRO 493 CO 0.29 0.63 0.09 1.03 0.04 0.00 0.00 177.00 179.08 2ux0 s ARG 494 N -1.37 1.04 0.09 4.56 0.52 0.16 -4.95 118.95 119.00 2ux0 s ARG 494 Ca 0.28 -1.51 0.08 0.00 -0.52 0.00 0.00 55.73 54.06 2ux0 s ARG 494 Cb -0.16 0.25 -0.03 0.00 0.52 0.00 0.00 34.95 35.53 2ux0 s ARG 494 CO 0.16 -0.31 -0.22 0.99 0.02 0.00 0.00 175.30 175.93 2ux0 s THR 495 N -4.09 1.81 0.04 0.02 2.01 -1.26 -1.59 115.64 112.58 2ux0 s THR 495 Ca 0.30 -1.48 0.03 0.00 0.31 0.00 0.00 61.69 60.85 2ux0 s THR 495 Cb 0.07 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.95 2ux0 s THR 495 CO 0.06 0.05 -0.10 -0.94 -0.69 0.00 0.00 174.62 173.00 2ux0 s SER 496 N -1.72 1.16 -0.06 3.53 1.04 -0.55 -4.96 113.70 112.15 2ux0 s SER 496 Ca 0.08 -0.47 0.03 0.00 0.48 0.00 0.00 55.95 56.07 2ux0 s SER 496 Cb -0.10 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 65.97 2ux0 s SER 496 CO 0.04 -0.08 -0.15 -1.58 0.98 0.00 0.00 173.24 172.45 2ux0 s GLN 497 N -1.28 2.62 0.01 4.02 0.74 -1.26 -0.99 119.66 123.52 2ux0 s GLN 497 Ca -0.04 -0.70 -0.05 0.00 0.05 0.00 0.00 55.36 54.61 2ux0 s GLN 497 Cb -0.08 -2.40 -0.01 0.00 1.10 0.00 0.00 33.01 31.62 2ux0 s GLN 497 CO 0.01 0.56 0.09 -1.54 -0.55 0.00 0.00 175.29 173.86 2ux0 s SER 498 N -0.56 0.11 -0.18 6.67 1.04 -0.17 -4.68 113.70 115.93 2ux0 s SER 498 Ca 0.08 -0.34 -0.05 0.00 0.48 0.00 0.00 55.95 56.12 2ux0 s SER 498 Cb -0.11 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 2ux0 s SER 498 CO 0.01 -0.37 0.00 -1.61 0.98 0.00 0.00 173.24 172.25 2ux0 s GLU 499 N -1.60 3.73 -0.02 4.02 8.01 -0.05 -0.30 118.70 132.50 2ux0 s GLU 499 Ca -0.14 -0.48 0.02 0.00 0.01 0.00 0.00 54.97 54.39 2ux0 s GLU 499 Cb -0.07 -3.06 0.00 0.00 -4.31 0.00 0.00 34.13 26.69 2ux0 s GLU 499 CO -0.00 0.16 -0.08 -1.21 0.01 0.00 0.00 175.26 174.13 2ux0 s GLU 500 N 0.63 0.81 -0.11 1.61 2.02 0.26 -1.29 118.70 122.63 2ux0 s GLU 500 Ca -0.00 -0.28 0.03 0.00 0.02 0.00 0.00 54.97 54.73 2ux0 s GLU 500 Cb -0.14 -0.78 -0.01 0.00 0.10 0.00 0.00 34.13 33.31 2ux0 s GLU 500 CO 0.02 0.12 -0.20 0.99 0.02 0.00 0.00 175.26 176.22 2ux0 s THR 501 N 0.08 2.45 -0.06 3.63 2.01 0.50 -1.03 115.64 123.22 2ux0 s THR 501 Ca -0.01 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.13 2ux0 s THR 501 Cb -0.07 -1.97 0.01 0.00 0.01 0.00 0.00 72.50 70.48 2ux0 s THR 501 CO 0.00 0.55 -0.14 -0.13 -0.69 0.00 0.00 174.62 174.21 2ux0 s ARG 502 N 0.28 1.80 -0.14 4.92 0.52 0.02 -1.35 118.95 125.00 2ux0 s ARG 502 Ca -0.14 -0.47 -0.05 0.00 -0.52 0.00 0.00 55.73 54.54 2ux0 s ARG 502 Cb -0.17 -1.48 -0.04 0.00 0.52 0.00 0.00 34.95 33.78 2ux0 s ARG 502 CO 0.07 0.07 0.04 0.08 0.02 0.00 0.00 175.30 175.58 2ux0 s VAL 503 N 0.55 4.64 -0.02 3.52 1.01 -0.70 -0.86 120.40 128.55 2ux0 s VAL 503 Ca -0.13 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 61.82 2ux0 s VAL 503 Cb -0.15 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 2ux0 s VAL 503 CO 0.04 0.53 -0.24 0.26 0.00 0.00 0.00 175.10 175.69 2ux0 s TRP 504 N -0.16 2.15 -0.06 5.22 0.52 -0.06 -0.96 118.94 125.58 2ux0 s TRP 504 Ca 0.06 -0.41 -0.00 0.00 0.02 0.00 0.00 56.10 55.78 2ux0 s TRP 504 Cb -0.12 -1.38 0.03 0.00 -1.15 0.00 0.00 33.47 30.85 2ux0 s TRP 504 CO 0.02 -0.03 -0.02 -1.58 0.02 0.00 0.00 176.95 175.35 2ux0 s HIS 505 N -0.57 0.72 -0.31 -1.98 2.46 -0.13 -1.66 115.29 113.81 2ux0 s HIS 505 Ca 0.09 -0.20 -0.22 0.00 0.47 0.00 0.00 55.06 55.20 2ux0 s HIS 505 Cb -0.09 -0.74 -0.00 0.00 -0.13 0.00 0.00 32.58 31.61 2ux0 s HIS 505 CO -0.01 -0.27 0.72 0.50 -2.47 0.00 0.00 174.74 173.21 2ux0 s ARG 506 N 1.47 3.90 -0.11 2.88 3.52 -0.17 -0.58 118.95 129.86 2ux0 s ARG 506 Ca -0.03 0.42 0.02 0.00 -0.13 0.00 0.00 55.73 56.02 2ux0 s ARG 506 Cb -0.13 -3.74 0.01 0.00 -1.56 0.00 0.00 34.95 29.53 2ux0 s ARG 506 CO -0.03 -0.66 -0.17 -0.98 -0.81 0.00 0.00 175.30 172.65 2ux0 s ARG 507 N 2.83 2.39 -1.32 5.12 1.04 -0.45 -4.75 118.95 123.81 2ux0 s ARG 507 Ca 0.29 -0.63 -0.02 0.00 -1.04 0.00 0.00 55.73 54.33 2ux0 s ARG 507 Cb -0.14 -1.97 -0.00 0.00 -2.04 0.00 0.00 34.95 30.80 2ux0 s ARG 507 CO 0.13 -0.01 0.61 -0.25 -0.04 0.00 0.00 175.30 175.74 2ux0 n ASP 508 N 4.04 -1.41 0.00 -2.89 8.00 -1.26 -2.29 116.55 120.75 2ux0 n ASP 508 Ca -0.20 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.40 2ux0 n ASP 508 Cb 0.52 -3.65 0.00 0.00 -0.02 0.00 0.00 41.12 37.96 2ux0 n ASP 508 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ux0 n GLY 509 N -1.72 0.62 3.29 0.44 0.00 -1.26 -4.97 105.19 101.58 2ux0 n GLY 509 Ca -0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 2ux0 n GLY 509 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ux0 s LYS 510 N -0.42 3.13 0.02 1.61 0.00 -0.97 -5.10 119.74 118.01 2ux0 s LYS 510 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 55.97 54.86 2ux0 s LYS 510 Cb 0.00 -2.42 -0.05 0.00 0.00 0.00 0.00 37.83 35.36 2ux0 s LYS 510 CO 0.00 0.22 1.20 -1.58 0.00 0.00 0.00 175.35 175.19 2ux0 s TRP 511 N 0.28 3.34 -0.01 1.78 0.52 -1.26 -1.34 118.94 122.24 2ux0 s TRP 511 Ca -0.14 1.27 0.05 0.00 0.02 0.00 0.00 56.10 57.30 2ux0 s TRP 511 Cb -0.17 -3.42 -0.01 0.00 -1.15 0.00 0.00 33.47 28.72 2ux0 s TRP 511 CO 0.07 -1.28 -0.17 -0.51 0.02 0.00 0.00 176.95 175.07 2ux0 s LEU 512 N 1.47 2.03 -0.26 2.99 1.43 0.26 -4.84 118.68 121.76 2ux0 s LEU 512 Ca 0.58 -0.32 -0.28 0.00 -1.03 0.00 0.00 54.13 53.09 2ux0 s LEU 512 Cb -0.28 -0.90 0.01 0.00 0.03 0.00 0.00 46.19 45.05 2ux0 s LEU 512 CO 0.27 0.21 0.98 0.21 0.23 0.00 0.00 176.35 178.25 2ux0 s ASN 513 N -0.38 6.97 -0.16 2.29 3.04 -0.57 -0.96 114.94 125.17 2ux0 s ASN 513 Ca 0.06 1.18 0.18 0.00 0.04 0.00 0.00 52.86 54.32 2ux0 s ASN 513 Cb -0.07 -2.51 -0.25 0.00 -1.54 0.00 0.00 41.25 36.88 2ux0 s ASN 513 CO -0.01 -0.68 0.14 1.33 -3.04 0.00 0.00 177.10 174.84 2ux0 n VAL 514 N 5.44 1.10 -3.93 -5.21 0.24 -0.13 -1.09 118.33 114.75 2ux0 n VAL 514 Ca 0.10 -0.76 -0.10 0.00 -2.04 0.00 0.00 64.34 61.54 2ux0 n VAL 514 Cb 0.47 -0.40 -0.10 0.00 -1.47 0.00 0.00 33.84 32.34 2ux0 n VAL 514 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2ux0 s HIS 515 N -2.64 0.17 -0.11 6.34 5.65 -1.22 -1.73 115.29 121.75 2ux0 s HIS 515 Ca -0.09 -0.39 -0.05 0.00 0.25 0.00 0.00 55.06 54.78 2ux0 s HIS 515 Cb 0.07 -0.13 0.05 0.00 -1.18 0.00 0.00 32.58 31.39 2ux0 s HIS 515 CO 0.81 -0.29 0.25 -0.47 -0.65 0.00 0.00 174.74 174.39 2ux0 s TYR 516 N -1.87 -0.36 -0.10 3.88 5.04 -0.82 -1.72 117.35 121.41 2ux0 s TYR 516 Ca -0.11 0.84 0.00 0.00 -2.44 0.00 0.00 57.07 55.36 2ux0 s TYR 516 Cb -0.06 0.03 0.02 0.00 0.35 0.00 0.00 41.96 42.30 2ux0 s TYR 516 CO -0.01 -0.27 -0.09 -1.58 -1.34 0.00 0.00 175.55 172.26 2ux0 s HIS 517 N 1.57 1.50 -0.05 4.97 5.65 -0.46 -0.82 115.29 127.66 2ux0 s HIS 517 Ca -0.07 -0.70 0.03 0.00 0.25 0.00 0.00 55.06 54.58 2ux0 s HIS 517 Cb -0.11 -1.20 0.01 0.00 -1.18 0.00 0.00 32.58 30.10 2ux0 s HIS 517 CO -0.09 -0.45 -0.13 0.00 -0.65 0.00 0.00 174.74 173.42 2ux0 s SER 519 N 0.34 1.90 0.00 0.00 1.04 -0.41 -4.05 113.70 112.52 2ux0 s SER 519 Ca -0.08 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2ux0 s SER 519 Cb -0.13 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.87 2ux0 s SER 519 CO 0.02 0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.91