#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ux0 s MET 386 N 0.00 1.96 0.14 -1.46 0.00 -1.26 -4.97 119.30 113.71 2ux0 s MET 386 Ca 0.00 1.87 -0.31 0.00 0.00 0.00 0.00 55.69 57.25 2ux0 s MET 386 Cb 0.00 -1.80 -0.08 0.00 0.00 0.00 0.00 34.83 32.95 2ux0 s MET 386 CO 0.00 -2.00 1.32 0.99 0.00 0.00 0.00 175.02 175.34 2ux0 s THR 387 N -1.88 3.38 0.47 10.11 2.01 -1.26 -4.85 115.64 123.62 2ux0 s THR 387 Ca 0.77 1.05 0.34 0.00 0.31 0.00 0.00 61.69 64.16 2ux0 s THR 387 Cb -0.32 -3.67 0.54 0.00 0.01 0.00 0.00 72.50 69.06 2ux0 s THR 387 CO 0.47 0.11 1.62 -0.33 -0.69 0.00 0.00 174.62 175.80 2ux0 h GLU 388 N 6.21 0.06 -0.15 4.92 4.39 -1.99 0.81 114.58 128.82 2ux0 h GLU 388 Ca -0.43 -0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.16 2ux0 h GLU 388 Cb 1.21 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2ux0 h GLU 388 CO 0.82 0.04 -0.33 0.22 -1.16 0.00 0.00 179.01 178.59 2ux0 h ASP 389 N 0.06 0.55 -0.11 1.42 -0.00 -1.99 -2.42 116.42 113.92 2ux0 h ASP 389 Ca 0.84 -0.56 -0.13 0.00 -0.00 0.00 0.00 57.03 57.17 2ux0 h ASP 389 Cb 2.81 -0.16 -0.01 0.00 -0.00 0.00 0.00 39.33 41.97 2ux0 h ASP 389 CO -0.33 1.01 -0.36 -0.33 -0.00 0.00 0.00 179.24 179.23 2ux0 h GLU 390 N 0.11 0.62 -0.35 0.28 5.08 0.15 -1.50 114.58 118.98 2ux0 h GLU 390 Ca 0.00 -0.30 0.05 0.00 -1.00 0.00 0.00 59.36 58.12 2ux0 h GLU 390 Cb 0.93 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.13 2ux0 h GLU 390 CO 0.07 0.89 0.05 0.22 -1.00 0.00 0.00 179.01 179.24 2ux0 h ASP 391 N 0.52 -0.03 -0.47 1.42 1.82 -1.00 -1.73 116.42 116.95 2ux0 h ASP 391 Ca 0.05 0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.73 2ux0 h ASP 391 Cb 0.87 0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.95 2ux0 h ASP 391 CO 0.07 0.02 0.18 0.25 -1.61 0.00 0.00 179.24 178.15 2ux0 h LEU 392 N 0.16 0.65 -0.45 2.28 5.85 -1.17 -2.34 115.31 120.29 2ux0 h LEU 392 Ca 0.17 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.80 2ux0 h LEU 392 Cb 0.20 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 2ux0 h LEU 392 CO -0.23 0.65 -0.01 0.11 -0.34 0.00 0.00 178.44 178.62 2ux0 h LYS 393 N 0.61 0.10 0.01 1.25 1.57 -1.09 -1.31 116.57 117.72 2ux0 h LYS 393 Ca 0.15 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2ux0 h LYS 393 Cb 0.21 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 2ux0 h LYS 393 CO -0.01 0.07 -0.24 0.28 -0.57 0.00 0.00 179.45 178.97 2ux0 h VAL 394 N 0.10 0.45 -0.31 0.50 2.07 -1.04 -0.60 116.25 117.42 2ux0 h VAL 394 Ca 0.23 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.76 2ux0 h VAL 394 Cb 0.33 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2ux0 h VAL 394 CO -0.38 0.00 0.17 0.03 0.02 0.00 0.00 177.57 177.40 2ux0 h ARG 395 N -0.38 0.34 -0.63 1.57 3.08 -1.15 0.25 114.38 117.45 2ux0 h ARG 395 Ca 0.06 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.16 2ux0 h ARG 395 Cb 0.46 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.37 2ux0 h ARG 395 CO -0.20 0.22 0.31 0.87 -1.07 0.00 0.00 179.97 180.10 2ux0 h LYS 396 N 0.35 0.54 -0.39 0.04 1.57 -1.04 -1.40 116.57 116.23 2ux0 h LYS 396 Ca 0.13 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2ux0 h LYS 396 Cb 0.02 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2ux0 h LYS 396 CO -0.07 0.36 0.01 0.37 -0.57 0.00 0.00 179.45 179.55 2ux0 h GLN 397 N 0.56 0.62 -0.71 3.15 5.75 -0.34 -2.17 115.11 121.97 2ux0 h GLN 397 Ca 0.30 -0.14 0.08 0.00 -0.15 0.00 0.00 58.65 58.74 2ux0 h GLN 397 Cb 0.27 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.67 2ux0 h GLN 397 CO -0.23 0.63 0.38 1.49 -2.65 0.00 0.00 178.83 178.46 2ux0 h GLU 398 N 0.59 0.66 -0.03 1.69 4.81 0.11 -0.19 114.58 122.22 2ux0 h GLU 398 Ca 0.12 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.16 2ux0 h GLU 398 Cb 0.36 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2ux0 h GLU 398 CO 0.01 0.44 -0.66 0.82 -0.73 0.00 0.00 179.01 178.89 2ux0 h ILE 399 N 0.68 1.43 -0.12 2.32 1.08 -0.88 -2.54 117.51 119.49 2ux0 h ILE 399 Ca 0.33 -2.16 -0.03 0.00 -0.39 0.00 0.00 64.86 62.62 2ux0 h ILE 399 Cb 0.27 2.14 -0.00 0.00 -3.07 0.00 0.00 36.82 36.16 2ux0 h ILE 399 CO -0.22 0.63 -0.04 0.40 -0.69 0.00 0.00 178.15 178.23 2ux0 h ILE 400 N 0.10 1.30 -0.38 -0.67 2.04 -0.93 -1.66 117.51 117.31 2ux0 h ILE 400 Ca -0.01 -1.00 0.06 0.00 1.00 0.00 0.00 64.86 64.91 2ux0 h ILE 400 Cb 1.18 1.72 -0.05 0.00 -0.74 0.00 0.00 36.82 38.93 2ux0 h ILE 400 CO 0.10 0.28 0.08 0.50 0.00 0.00 0.00 178.15 179.11 2ux0 h LYS 401 N -0.10 0.20 -0.28 2.37 1.63 -0.98 0.73 116.57 120.15 2ux0 h LYS 401 Ca 0.03 -0.01 -0.15 0.00 -0.85 0.00 0.00 60.65 59.66 2ux0 h LYS 401 Cb 0.46 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 2ux0 h LYS 401 CO 0.01 0.13 -0.45 0.97 -3.45 0.00 0.00 179.45 176.67 2ux0 h ILE 402 N 0.20 1.29 -0.48 2.00 6.09 -1.46 -0.94 117.51 124.22 2ux0 h ILE 402 Ca 0.18 -1.64 -0.01 0.00 -1.37 0.00 0.00 64.86 62.03 2ux0 h ILE 402 Cb 0.21 1.56 -0.02 0.00 0.47 0.00 0.00 36.82 39.04 2ux0 h ILE 402 CO -0.24 0.53 0.27 0.74 -3.07 0.00 0.00 178.15 176.38 2ux0 h THR 403 N 0.57 1.17 -0.86 2.19 2.02 -0.91 -0.88 112.91 116.21 2ux0 h THR 403 Ca 0.04 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2ux0 h THR 403 Cb 1.00 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 2ux0 h THR 403 CO 0.09 0.18 0.55 -0.33 0.37 0.00 0.00 175.52 176.38 2ux0 h GLU 404 N 0.64 1.14 -0.52 6.66 5.08 -0.45 -1.73 114.58 125.40 2ux0 h GLU 404 Ca 0.17 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 2ux0 h GLU 404 Cb 0.04 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 2ux0 h GLU 404 CO -0.03 0.77 -0.10 1.96 -1.00 0.00 0.00 179.01 180.62 2ux0 h GLN 405 N 1.17 0.97 -0.43 2.33 4.20 -0.74 -1.10 115.11 121.52 2ux0 h GLN 405 Ca 0.31 -0.34 0.03 0.00 0.06 0.00 0.00 58.65 58.70 2ux0 h GLN 405 Cb -0.11 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 2ux0 h GLN 405 CO -0.06 1.01 0.24 1.25 -0.67 0.00 0.00 178.83 180.60 2ux0 h LEU 406 N 0.87 0.37 -0.81 1.46 5.85 -0.74 -1.55 115.31 120.75 2ux0 h LEU 406 Ca 0.14 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 2ux0 h LEU 406 Cb 0.64 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 2ux0 h LEU 406 CO 0.04 0.26 0.23 0.40 -0.34 0.00 0.00 178.44 179.04 2ux0 h ILE 407 N 0.48 1.26 -0.74 4.05 2.04 -1.05 -1.51 117.51 122.03 2ux0 h ILE 407 Ca 0.18 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 2ux0 h ILE 407 Cb 0.05 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 2ux0 h ILE 407 CO -0.10 0.35 0.37 -0.33 0.00 0.00 0.00 178.15 178.44 2ux0 h GLU 408 N 1.08 1.05 -0.77 2.37 5.08 -0.90 -0.62 114.58 121.86 2ux0 h GLU 408 Ca 0.24 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2ux0 h GLU 408 Cb 0.29 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2ux0 h GLU 408 CO -0.01 0.81 0.29 0.00 -1.00 0.00 0.00 179.01 179.10 2ux0 h ALA 409 N 1.19 1.06 -0.08 3.43 0.00 -0.83 -0.46 119.26 123.57 2ux0 h ALA 409 Ca 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2ux0 h ALA 409 Cb 0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2ux0 h ALA 409 CO -0.04 0.66 0.02 0.82 0.00 0.00 0.00 179.25 180.72 2ux0 h ILE 410 N 1.13 1.18 -0.83 0.00 2.04 -1.03 0.12 117.51 120.11 2ux0 h ILE 410 Ca 0.26 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 2ux0 h ILE 410 Cb 0.23 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 2ux0 h ILE 410 CO -0.02 0.15 0.43 0.78 0.00 0.00 0.00 178.15 179.50 2ux0 h ASN 411 N -0.06 1.05 1.11 1.72 2.35 -0.92 -2.25 115.58 118.57 2ux0 h ASN 411 Ca 0.03 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2ux0 h ASN 411 Cb 0.22 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2ux0 h ASN 411 CO -0.00 0.86 0.00 0.59 -1.65 0.00 0.00 177.43 177.23 2ux0 n ASN 412 N -4.33 0.24 -1.40 5.81 3.02 -0.20 -4.87 115.26 113.53 2ux0 n ASN 412 Ca 0.08 0.52 -0.10 0.00 -0.03 0.00 0.00 54.58 55.05 2ux0 n ASN 412 Cb 0.12 -0.59 0.01 0.00 -0.61 0.00 0.00 39.78 38.71 2ux0 n ASN 412 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ux0 n GLY 413 N 1.38 0.05 3.42 7.41 0.00 -0.56 -4.53 105.19 112.35 2ux0 n GLY 413 Ca 0.06 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.74 6.44 0.25 1.61 3.68 0.30 -4.34 116.67 121.86 2ux0 s ASP 414 Ca 0.09 -1.74 0.09 0.00 2.13 0.00 0.00 52.55 53.12 2ux0 s ASP 414 Cb -0.04 -2.36 0.26 0.00 -1.45 0.00 0.00 42.92 39.33 2ux0 s ASP 414 CO 0.11 -1.11 1.56 0.15 0.13 0.00 0.00 175.17 176.01 2ux0 h PHE 415 N 8.97 0.03 -0.33 -5.34 3.57 -1.94 -1.35 116.94 120.55 2ux0 h PHE 415 Ca -0.06 -0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.27 2ux0 h PHE 415 Cb 1.05 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 2ux0 h PHE 415 CO 1.03 0.69 -0.40 0.93 -2.23 0.00 0.00 178.31 178.33 2ux0 h GLU 416 N 0.02 0.86 -0.41 1.11 3.07 -1.97 0.20 114.58 117.45 2ux0 h GLU 416 Ca -0.01 -0.48 -0.03 0.00 -0.50 0.00 0.00 59.36 58.35 2ux0 h GLU 416 Cb 1.20 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 29.12 2ux0 h GLU 416 CO 0.09 1.12 0.15 0.00 -1.40 0.00 0.00 179.01 178.97 2ux0 h ALA 417 N 0.73 0.54 -0.03 3.43 0.00 -1.94 -2.15 119.26 119.83 2ux0 h ALA 417 Ca 0.04 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2ux0 h ALA 417 Cb 1.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2ux0 h ALA 417 CO 0.10 0.16 -0.09 -0.92 0.00 0.00 0.00 179.25 178.50 2ux0 h TYR 418 N 0.52 -0.22 0.00 0.00 3.20 -0.96 -2.23 116.97 117.29 2ux0 h TYR 418 Ca 0.14 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 2ux0 h TYR 418 Cb 0.22 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2ux0 h TYR 418 CO 0.00 -0.14 -0.28 1.79 -1.64 0.00 0.00 178.16 177.89 2ux0 h THR 419 N -0.14 1.08 -0.13 1.81 1.35 -0.57 -1.28 112.91 115.04 2ux0 h THR 419 Ca 0.05 -1.00 -0.11 0.00 -0.55 0.00 0.00 66.41 64.79 2ux0 h THR 419 Cb 0.20 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 2ux0 h THR 419 CO -0.12 0.28 -0.41 0.11 -0.25 0.00 0.00 175.52 175.12 2ux0 h LYS 420 N 0.00 0.28 0.00 4.72 6.56 -1.01 -3.23 116.57 123.90 2ux0 h LYS 420 Ca -0.00 -0.14 -0.03 0.00 -1.06 0.00 0.00 60.65 59.42 2ux0 h LYS 420 Cb 0.54 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.19 2ux0 h LYS 420 CO 0.04 0.66 -1.15 -0.89 -2.06 0.00 0.00 179.45 176.04 2ux0 n ILE 421 N -4.02 0.67 -3.84 1.86 5.41 -0.85 -4.90 119.36 113.69 2ux0 n ILE 421 Ca -0.02 -0.57 -0.37 0.00 1.00 0.00 0.00 62.75 62.80 2ux0 n ILE 421 Cb 0.49 -0.38 -0.06 0.00 -0.71 0.00 0.00 39.64 38.98 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 -0.85 6.63 0.60 0.00 2.15 -0.59 -4.80 116.67 119.81 2ux0 s ASP 423 Ca 0.15 2.79 0.31 0.00 0.43 0.00 0.00 52.55 56.23 2ux0 s ASP 423 Cb -0.12 -2.65 1.85 0.00 -0.30 0.00 0.00 42.92 41.70 2ux0 s ASP 423 CO 0.04 -0.66 2.22 -0.65 -0.17 0.00 0.00 175.17 175.95 2ux0 h PRO 424 N 3.49 0.00 -0.69 4.34 0.11 -1.89 -1.51 132.00 135.85 2ux0 h PRO 424 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2ux0 h PRO 424 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2ux0 h PRO 424 CO 0.67 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.87 2ux0 n GLY 425 N -1.31 2.28 3.64 -0.55 0.00 -1.26 -4.74 105.19 103.24 2ux0 n GLY 425 Ca -0.02 -0.59 -0.49 0.00 0.00 0.00 0.00 46.02 44.93 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 0.49 2.47 -4.67 0.99 7.94 -0.57 -4.90 117.00 118.74 2ux0 n LEU 426 Ca 0.18 1.10 -0.28 0.00 -1.11 0.00 0.00 56.01 55.89 2ux0 n LEU 426 Cb 0.80 -1.32 -0.08 0.00 0.53 0.00 0.00 43.42 43.34 2ux0 n LEU 426 CO 0.20 -0.61 -0.33 0.42 -1.11 0.00 0.00 177.39 175.95 2ux0 s THR 427 N 0.73 3.87 -0.06 1.96 -4.23 -0.88 -0.72 115.64 116.30 2ux0 s THR 427 Ca 0.81 -1.19 -0.03 0.00 -1.18 0.00 0.00 61.69 60.10 2ux0 s THR 427 Cb -0.80 -2.89 0.03 0.00 1.34 0.00 0.00 72.50 70.19 2ux0 s THR 427 CO 0.42 0.01 0.14 -0.55 -0.54 0.00 0.00 174.62 174.10 2ux0 s SER 428 N -2.60 -0.10 -0.23 3.99 0.15 -0.33 -1.75 113.70 112.82 2ux0 s SER 428 Ca 0.26 0.28 -0.10 0.00 0.70 0.00 0.00 55.95 57.09 2ux0 s SER 428 Cb -0.11 0.18 -0.05 0.00 -1.71 0.00 0.00 66.02 64.34 2ux0 s SER 428 CO 0.18 -0.13 0.15 -0.36 1.20 0.00 0.00 173.24 174.28 2ux0 s PHE 429 N 1.01 3.30 -0.01 3.44 2.99 0.00 -1.70 117.98 127.02 2ux0 s PHE 429 Ca -0.08 0.18 -0.29 0.00 0.00 0.00 0.00 56.93 56.74 2ux0 s PHE 429 Cb -0.10 -2.25 0.07 0.00 0.00 0.00 0.00 43.02 40.74 2ux0 s PHE 429 CO -0.05 0.05 0.68 -1.83 -0.00 0.00 0.00 175.22 174.07 2ux0 s GLU 430 N 1.02 1.08 0.34 0.44 -1.05 -1.26 -0.17 118.70 119.10 2ux0 s GLU 430 Ca 0.07 0.08 0.14 0.00 -0.15 0.00 0.00 54.97 55.11 2ux0 s GLU 430 Cb -0.13 0.51 1.03 0.00 -0.44 0.00 0.00 34.13 35.10 2ux0 s GLU 430 CO 0.04 -0.38 1.69 -1.35 0.95 0.00 0.00 175.26 176.22 2ux0 h PRO 431 N 2.74 0.40 0.00 -4.83 0.11 -1.89 0.17 132.00 128.69 2ux0 h PRO 431 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2ux0 h PRO 431 Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2ux0 h PRO 431 CO 0.38 0.27 0.00 0.93 -0.21 0.00 0.00 178.00 179.37 2ux0 h GLU 432 N 0.41 0.00 -0.01 1.05 4.39 -1.97 -2.31 114.58 116.14 2ux0 h GLU 432 Ca 0.70 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.40 2ux0 h GLU 432 Cb 1.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 2ux0 h GLU 432 CO -0.53 0.00 -0.02 0.00 -1.16 0.00 0.00 179.01 177.31 2ux0 n ALA 433 N -1.87 2.62 -3.71 3.43 0.00 0.59 -4.97 120.51 116.61 2ux0 n ALA 433 Ca 0.03 -0.41 -0.25 0.00 0.00 0.00 0.00 53.44 52.81 2ux0 n ALA 433 Cb 0.32 -1.21 0.05 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.04 -3.14 0.00 0.00 4.77 -0.87 -1.98 117.00 115.75 2ux0 n LEU 434 Ca 0.19 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 2ux0 n LEU 434 Cb 0.32 -2.82 0.00 0.00 -2.33 0.00 0.00 43.42 38.59 2ux0 n LEU 434 CO 0.17 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2ux0 n GLY 435 N -1.72 0.86 3.93 -0.72 0.00 -1.26 -5.04 105.19 101.23 2ux0 n GLY 435 Ca -0.06 0.00 -0.27 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 -3.01 6.37 -0.17 1.61 0.01 -0.84 -5.07 114.94 113.83 2ux0 s ASN 436 Ca 0.00 0.30 -0.19 0.00 -0.71 0.00 0.00 52.86 52.26 2ux0 s ASN 436 Cb 0.00 -1.97 -0.03 0.00 0.41 0.00 0.00 41.25 39.66 2ux0 s ASN 436 CO 0.00 0.01 0.53 -0.22 -1.51 0.00 0.00 177.10 175.91 2ux0 s LEU 437 N -3.25 4.18 0.15 0.60 2.96 -1.26 -4.51 118.68 117.55 2ux0 s LEU 437 Ca 0.37 0.75 0.09 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 -0.15 -0.16 0.68 -1.32 0.00 0.00 176.35 175.68 2ux0 s VAL 438 N 1.40 2.86 -0.55 1.68 -7.23 -0.69 -4.92 120.40 112.96 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 -0.15 -2.36 0.01 0.00 0.56 0.00 0.00 36.38 34.43 2ux0 s VAL 438 CO 0.10 -0.01 1.52 -1.61 -0.31 0.00 0.00 175.10 174.79 2ux0 s GLU 439 N -2.47 3.19 0.58 4.82 0.41 -1.26 -1.19 118.70 122.79 2ux0 s GLU 439 Ca 0.21 0.55 0.28 0.00 -0.41 0.00 0.00 54.97 55.60 2ux0 s GLU 439 Cb -0.09 -4.17 1.55 0.00 -1.78 0.00 0.00 34.13 29.63 2ux0 s GLU 439 CO 0.12 -2.06 2.03 0.78 -0.49 0.00 0.00 175.26 175.64 2ux0 h GLY 440 N 13.68 0.00 1.28 -1.39 0.00 -1.23 -2.93 103.07 112.48 2ux0 h GLY 440 Ca -0.27 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.86 2ux0 h GLY 440 CO 1.17 0.00 -0.66 -0.33 0.00 0.00 0.00 176.54 176.72 2ux0 h MET 441 N 0.00 0.73 -0.05 4.80 2.86 -1.85 -1.49 114.93 119.92 2ux0 h MET 441 Ca 0.14 -0.53 -0.15 0.00 -2.06 0.00 0.00 59.70 57.10 2ux0 h MET 441 Cb 0.73 0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.49 2ux0 h MET 441 CO -0.00 1.15 -0.56 0.22 1.06 0.00 0.00 176.91 178.78 2ux0 h ASP 442 N 0.53 0.58 0.12 1.22 3.58 -1.90 -3.20 116.42 117.35 2ux0 h ASP 442 Ca -0.02 -0.70 -0.09 0.00 0.42 0.00 0.00 57.03 56.64 2ux0 h ASP 442 Cb 1.27 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 2ux0 h ASP 442 CO 0.13 1.20 -0.31 0.15 -2.88 0.00 0.00 179.24 177.53 2ux0 h PHE 443 N 0.02 0.32 0.00 0.28 3.04 -1.55 -2.89 116.94 116.16 2ux0 h PHE 443 Ca -0.06 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.82 2ux0 h PHE 443 Cb 1.24 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.67 2ux0 h PHE 443 CO 0.13 0.57 -0.22 0.45 -2.02 0.00 0.00 178.31 177.22 2ux0 h HIS 444 N 0.25 0.00 -1.00 0.41 3.86 -1.39 -3.31 115.15 113.98 2ux0 h HIS 444 Ca 0.03 0.00 0.22 0.00 -1.16 0.00 0.00 60.37 59.47 2ux0 h HIS 444 Cb 0.68 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.03 2ux0 h HIS 444 CO 0.01 0.00 0.60 0.87 0.86 0.00 0.00 177.93 180.27 2ux0 h LYS 445 N 0.00 0.63 -0.41 2.45 1.57 -1.50 -1.66 116.57 117.66 2ux0 h LYS 445 Ca 0.00 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2ux0 h LYS 445 Cb 0.99 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 2ux0 h LYS 445 CO 0.00 0.42 0.08 0.35 -0.57 0.00 0.00 179.45 179.73 2ux0 h PHE 446 N 0.65 0.63 0.00 -1.35 3.57 -1.74 -0.27 116.94 118.43 2ux0 h PHE 446 Ca 0.62 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.96 2ux0 h PHE 446 Cb 1.09 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 2ux0 h PHE 446 CO -0.01 0.56 -0.49 1.88 -2.23 0.00 0.00 178.31 178.02 2ux0 h TYR 447 N 0.60 0.00 0.03 0.41 -1.99 -1.54 -2.00 116.97 112.48 2ux0 h TYR 447 Ca 0.14 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.77 2ux0 h TYR 447 Cb 0.26 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.00 2ux0 h TYR 447 CO 0.01 0.49 -0.37 0.74 -0.00 0.00 0.00 178.16 179.03 2ux0 h PHE 448 N 0.00 0.32 -0.52 4.88 -1.00 -1.23 -0.10 116.94 119.29 2ux0 h PHE 448 Ca -0.00 -0.19 -0.01 0.00 2.81 0.00 0.00 57.97 60.58 2ux0 h PHE 448 Cb 1.31 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 40.81 2ux0 h PHE 448 CO 0.00 1.05 0.30 0.93 -1.61 0.00 0.00 178.31 178.98 2ux0 h GLU 449 N -0.50 0.70 0.00 1.51 5.08 -1.08 -3.19 114.58 117.09 2ux0 h GLU 449 Ca -0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2ux0 h GLU 449 Cb 1.18 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2ux0 h GLU 449 CO 0.07 0.50 -0.01 0.09 -1.00 0.00 0.00 179.01 178.66 2ux0 n ASN 450 N -4.42 1.86 0.04 1.42 3.02 -0.75 -4.86 115.26 111.57 2ux0 n ASN 450 Ca 0.05 -2.06 0.00 0.00 -0.03 0.00 0.00 54.58 52.54 2ux0 n ASN 450 Cb 0.08 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 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 -0.57 -0.64 -0.09 3.41 7.94 -0.99 -4.96 117.00 121.10 2ux0 n LEU 451 Ca 0.02 0.15 -0.12 0.00 -1.11 0.00 0.00 56.01 54.95 2ux0 n LEU 451 Cb 0.32 0.94 -0.04 0.00 0.53 0.00 0.00 43.42 45.17 2ux0 n LEU 451 CO 0.00 -0.39 0.66 -0.07 -1.11 0.00 0.00 177.39 176.48 2ux0 h LEU 452 N 0.00 0.58 0.22 -1.96 3.38 -1.19 -2.61 115.31 113.74 2ux0 h LEU 452 Ca 0.00 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 2ux0 h LEU 452 Cb 0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2ux0 h LEU 452 CO 0.00 0.86 -0.29 0.77 0.09 0.00 0.00 178.44 179.87 2ux0 h SER 453 N 0.29 -0.82 0.00 -0.43 4.64 -1.74 -3.26 113.55 112.23 2ux0 h SER 453 Ca 0.06 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2ux0 h SER 453 Cb 0.65 0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2ux0 h SER 453 CO 0.04 -0.36 0.00 0.29 -0.87 0.00 0.00 176.83 175.93 2ux0 n LYS 454 N -4.12 0.30 -3.04 4.77 4.01 -1.10 -4.79 118.16 114.18 2ux0 n LYS 454 Ca -0.06 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.34 2ux0 n LYS 454 Cb 0.25 -1.47 -0.05 0.00 -0.51 0.00 0.00 35.03 33.26 2ux0 n LYS 454 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2ux0 s ASN 455 N -1.98 6.91 0.03 4.39 2.20 -1.00 -4.95 114.94 120.55 2ux0 s ASN 455 Ca 0.13 1.11 0.22 0.00 -0.94 0.00 0.00 52.86 53.38 2ux0 s ASN 455 Cb 0.06 -2.40 -0.15 0.00 -2.00 0.00 0.00 41.25 36.76 2ux0 s ASN 455 CO 0.10 -0.19 0.80 -0.24 -2.94 0.00 0.00 177.10 174.63 2ux0 n SER 456 N 4.29 0.46 -4.74 3.54 2.88 -1.26 -5.03 113.62 113.76 2ux0 n SER 456 Ca -0.00 -0.16 -0.41 0.00 -1.33 0.00 0.00 58.87 56.97 2ux0 n SER 456 Cb 0.51 1.24 -0.03 0.00 -0.75 0.00 0.00 64.21 65.17 2ux0 n SER 456 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2ux0 s LYS 457 N -3.32 4.49 0.47 -1.46 -0.14 -1.26 -4.98 119.74 113.54 2ux0 s LYS 457 Ca -0.01 1.91 -0.23 0.00 -1.36 0.00 0.00 55.97 56.29 2ux0 s LYS 457 Cb 0.14 -3.21 -0.07 0.00 -1.68 0.00 0.00 37.83 33.00 2ux0 s LYS 457 CO 0.85 -0.07 1.17 -2.14 -0.76 0.00 0.00 175.35 174.41 2ux0 s PRO 458 N -0.54 3.71 -0.15 -1.68 0.02 -1.26 -4.99 135.00 130.12 2ux0 s PRO 458 Ca 0.52 1.79 -0.08 0.00 0.02 0.00 0.00 61.00 63.25 2ux0 s PRO 458 Cb -0.34 -2.39 0.05 0.00 0.02 0.00 0.00 34.50 31.85 2ux0 s PRO 458 CO 0.39 -0.60 0.35 0.96 -0.33 0.00 0.00 177.00 177.78 2ux0 s ILE 459 N -1.54 -0.04 -0.23 2.83 -4.36 -1.26 -4.02 121.20 112.59 2ux0 s ILE 459 Ca 0.64 0.11 -0.05 0.00 -0.26 0.00 0.00 60.65 61.10 2ux0 s ILE 459 Cb -0.29 -0.53 -0.02 0.00 1.25 0.00 0.00 42.46 42.87 2ux0 s ILE 459 CO 0.35 0.05 -0.00 -2.28 0.24 0.00 0.00 174.94 173.29 2ux0 s HIS 460 N 1.37 3.00 -0.09 1.37 2.46 -0.46 -4.97 115.29 117.98 2ux0 s HIS 460 Ca -0.09 -0.72 -0.12 0.00 0.47 0.00 0.00 55.06 54.59 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 -0.11 -0.45 0.29 0.99 -2.47 0.00 0.00 174.74 172.98 2ux0 s THR 461 N 1.45 5.27 -0.10 0.89 2.01 -1.26 -0.38 115.64 123.52 2ux0 s THR 461 Ca 0.05 0.55 0.03 0.00 0.31 0.00 0.00 61.69 62.63 2ux0 s THR 461 Cb -0.15 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 68.78 2ux0 s THR 461 CO -0.00 0.53 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.38 2ux0 s THR 462 N -0.53 1.70 -0.27 -0.82 2.01 0.12 -4.99 115.64 112.84 2ux0 s THR 462 Ca 0.19 -0.79 -0.09 0.00 0.31 0.00 0.00 61.69 61.31 2ux0 s THR 462 Cb -0.14 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 2ux0 s THR 462 CO 0.07 0.48 0.13 -0.63 -0.69 0.00 0.00 174.62 173.98 2ux0 s ILE 463 N 0.66 4.69 -0.12 1.82 1.01 -1.26 -0.82 121.20 127.19 2ux0 s ILE 463 Ca -0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 60.65 60.37 2ux0 s ILE 463 Cb -0.16 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 2ux0 s ILE 463 CO 0.03 0.24 -0.05 -0.76 0.00 0.00 0.00 174.94 174.40 2ux0 s LEU 464 N 1.66 3.20 -1.30 2.97 1.43 0.90 -4.78 118.68 122.76 2ux0 s LEU 464 Ca 0.06 -0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 2ux0 s LEU 464 Cb -0.16 -1.74 -0.00 0.00 0.03 0.00 0.00 46.19 44.32 2ux0 s LEU 464 CO 0.07 0.26 0.63 0.59 0.23 0.00 0.00 176.35 178.12 2ux0 n ASN 465 N 2.94 -1.77 -4.76 2.29 5.03 -1.26 -2.29 115.26 115.44 2ux0 n ASN 465 Ca -0.18 -0.91 -0.34 0.00 0.87 0.00 0.00 54.58 54.03 2ux0 n ASN 465 Cb 0.53 -3.67 0.04 0.00 -1.02 0.00 0.00 39.78 35.65 2ux0 n ASN 465 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2ux0 s PRO 466 N -6.10 2.87 -0.03 3.52 0.04 -1.26 -4.68 135.00 129.36 2ux0 s PRO 466 Ca 0.10 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2ux0 s PRO 466 Cb -0.03 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.59 2ux0 s PRO 466 CO 0.84 -1.22 -0.01 -1.58 0.04 0.00 0.00 177.00 175.08 2ux0 s HIS 467 N -2.07 0.38 -0.11 0.56 2.46 0.24 -5.00 115.29 111.75 2ux0 s HIS 467 Ca 0.71 -0.03 0.02 0.00 0.47 0.00 0.00 55.06 56.23 2ux0 s HIS 467 Cb -0.24 -0.45 -0.00 0.00 -0.13 0.00 0.00 32.58 31.76 2ux0 s HIS 467 CO 0.37 -0.14 -0.20 0.08 -2.47 0.00 0.00 174.74 172.38 2ux0 s VAL 468 N 1.03 2.43 -0.29 0.89 1.01 -1.26 -0.87 120.40 123.34 2ux0 s VAL 468 Ca -0.10 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 60.90 2ux0 s VAL 468 Cb -0.14 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 2ux0 s VAL 468 CO -0.02 0.55 0.14 -1.00 0.00 0.00 0.00 175.10 174.77 2ux0 s HIS 469 N 0.38 3.16 -0.31 5.22 3.76 -0.07 -4.99 115.29 122.45 2ux0 s HIS 469 Ca -0.15 -0.42 -0.22 0.00 -0.15 0.00 0.00 55.06 54.12 2ux0 s HIS 469 Cb -0.17 -2.33 -0.00 0.00 1.11 0.00 0.00 32.58 31.18 2ux0 s HIS 469 CO 0.07 -0.39 0.71 0.08 -0.85 0.00 0.00 174.74 174.36 2ux0 s VAL 470 N 1.64 4.86 -0.60 -0.90 1.01 -1.26 -1.48 120.40 123.66 2ux0 s VAL 470 Ca 0.05 0.99 0.02 0.00 0.00 0.00 0.00 61.98 63.05 2ux0 s VAL 470 Cb -0.16 -4.08 0.39 0.00 0.00 0.00 0.00 36.38 32.53 2ux0 s VAL 470 CO 0.06 -0.21 1.43 -0.38 0.00 0.00 0.00 175.10 176.01 2ux0 n ILE 471 N 5.48 2.92 0.00 2.22 5.41 -0.48 -5.00 119.36 129.92 2ux0 n ILE 471 Ca 0.01 -4.78 0.00 0.00 1.00 0.00 0.00 62.75 58.98 2ux0 n ILE 471 Cb 0.48 -1.27 0.00 0.00 -0.71 0.00 0.00 39.64 38.14 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 -0.48 1.04 0.38 7.39 0.00 -1.25 -4.29 105.19 107.98 2ux0 n GLY 472 Ca 0.44 -2.05 0.15 0.00 0.00 0.00 0.00 46.02 44.56 2ux0 n GLY 472 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ux0 h GLU 473 N 0.00 0.49 0.00 1.61 -0.00 -2.03 -3.07 114.58 111.57 2ux0 h GLU 473 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.33 2ux0 h GLU 473 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 28.75 28.64 2ux0 h GLU 473 CO 0.00 0.32 -0.00 -0.25 -0.00 0.00 0.00 179.01 179.08 2ux0 n ASP 474 N -4.51 1.91 -4.04 3.06 8.00 -1.26 -4.97 116.55 114.74 2ux0 n ASP 474 Ca 0.16 -2.00 -0.19 0.00 0.71 0.00 0.00 54.79 53.47 2ux0 n ASP 474 Cb 0.53 -0.02 -0.14 0.00 -0.02 0.00 0.00 41.12 41.47 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 -1.03 0.80 0.32 2.24 0.00 -1.16 -0.79 121.76 122.14 2ux0 s ALA 475 Ca 0.01 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.39 2ux0 s ALA 475 Cb 0.01 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.97 2ux0 s ALA 475 CO 0.00 0.18 0.60 0.00 0.00 0.00 0.00 175.76 176.54 2ux0 s ALA 476 N -0.34 -0.22 -0.24 0.00 0.00 -0.71 -1.38 121.76 118.86 2ux0 s ALA 476 Ca 0.03 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 50.88 2ux0 s ALA 476 Cb -0.04 0.95 0.07 0.00 0.00 0.00 0.00 23.12 24.10 2ux0 s ALA 476 CO -0.00 -0.90 0.61 0.00 0.00 0.00 0.00 175.76 175.47 2ux0 s ILE 478 N 1.29 1.82 -0.08 0.00 2.07 -0.17 -0.89 121.20 125.24 2ux0 s ILE 478 Ca -0.08 -0.93 0.05 0.00 -1.41 0.00 0.00 60.65 58.28 2ux0 s ILE 478 Cb -0.06 -1.55 -0.00 0.00 0.13 0.00 0.00 42.46 40.98 2ux0 s ILE 478 CO -0.14 0.51 -0.23 0.00 -1.91 0.00 0.00 174.94 173.17 2ux0 s ALA 479 N -0.02 2.06 0.07 1.50 0.00 -0.05 -1.07 121.76 124.26 2ux0 s ALA 479 Ca -0.06 -0.94 -0.18 0.00 0.00 0.00 0.00 51.96 50.79 2ux0 s ALA 479 Cb -0.13 -0.73 0.04 0.00 0.00 0.00 0.00 23.12 22.29 2ux0 s ALA 479 CO 0.04 0.31 0.43 1.52 0.00 0.00 0.00 175.76 178.06 2ux0 s TYR 480 N 0.20 -0.28 -0.16 0.00 -0.85 -0.48 -0.59 117.35 115.19 2ux0 s TYR 480 Ca -0.13 0.18 -0.11 0.00 -0.52 0.00 0.00 57.07 56.49 2ux0 s TYR 480 Cb -0.16 0.26 -0.05 0.00 0.38 0.00 0.00 41.96 42.39 2ux0 s TYR 480 CO 0.07 -0.62 0.20 0.42 -1.52 0.00 0.00 175.55 174.09 2ux0 s ILE 481 N -2.83 5.38 -0.25 -3.49 1.01 -0.97 -0.73 121.20 119.31 2ux0 s ILE 481 Ca -0.03 0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.95 2ux0 s ILE 481 Cb -0.00 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 38.98 2ux0 s ILE 481 CO -0.05 0.47 -0.05 -0.60 0.00 0.00 0.00 174.94 174.71 2ux0 s ARG 482 N -0.02 2.84 -0.20 2.79 3.52 0.29 -0.07 118.95 128.10 2ux0 s ARG 482 Ca 0.13 -0.98 -0.10 0.00 -0.13 0.00 0.00 55.73 54.65 2ux0 s ARG 482 Cb -0.12 -3.01 -0.05 0.00 -1.56 0.00 0.00 34.95 30.21 2ux0 s ARG 482 CO 0.02 -0.41 0.13 -0.51 -0.81 0.00 0.00 175.30 173.72 2ux0 s LEU 483 N 1.33 4.18 -0.22 -0.88 1.43 0.00 -1.33 118.68 123.19 2ux0 s LEU 483 Ca 0.00 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.33 2ux0 s LEU 483 Cb -0.17 -2.08 0.04 0.00 0.03 0.00 0.00 46.19 44.01 2ux0 s LEU 483 CO -0.04 0.17 -0.15 -0.89 0.23 0.00 0.00 176.35 175.68 2ux0 s THR 484 N 0.41 2.05 0.06 5.49 2.01 -0.35 0.13 115.64 125.44 2ux0 s THR 484 Ca 0.08 -1.26 -0.20 0.00 0.31 0.00 0.00 61.69 60.62 2ux0 s THR 484 Cb -0.11 -2.03 -0.06 0.00 0.01 0.00 0.00 72.50 70.31 2ux0 s THR 484 CO -0.01 0.23 0.59 -1.10 -0.69 0.00 0.00 174.62 173.63 2ux0 s GLN 485 N 1.22 4.25 0.30 4.92 -0.21 0.49 -1.58 119.66 129.05 2ux0 s GLN 485 Ca -0.02 0.76 -0.18 0.00 0.02 0.00 0.00 55.36 55.93 2ux0 s GLN 485 Cb -0.17 -3.27 0.02 0.00 1.00 0.00 0.00 33.01 30.60 2ux0 s GLN 485 CO -0.09 0.56 0.69 1.52 -2.12 0.00 0.00 175.29 175.86 2ux0 s TYR 486 N -0.86 -0.00 -0.09 0.91 -0.85 -0.44 -1.35 117.35 114.66 2ux0 s TYR 486 Ca 0.30 -0.48 0.02 0.00 -0.52 0.00 0.00 57.07 56.39 2ux0 s TYR 486 Cb -0.19 0.63 -0.02 0.00 0.38 0.00 0.00 41.96 42.76 2ux0 s TYR 486 CO 0.19 -1.27 -0.13 0.42 -1.52 0.00 0.00 175.55 173.25 2ux0 s ILE 487 N -3.59 3.15 0.55 -3.49 1.01 -1.26 -0.39 121.20 117.19 2ux0 s ILE 487 Ca 0.14 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 60.19 2ux0 s ILE 487 Cb -0.05 -2.28 0.06 0.00 0.01 0.00 0.00 42.46 40.21 2ux0 s ILE 487 CO 0.09 0.56 0.76 1.51 0.00 0.00 0.00 174.94 177.86 2ux0 s ASP 488 N -0.27 5.15 0.12 3.58 3.84 0.26 -4.96 116.67 124.38 2ux0 s ASP 488 Ca 0.02 -0.52 -0.26 0.00 -0.00 0.00 0.00 52.55 51.79 2ux0 s ASP 488 Cb -0.13 -0.20 -0.07 0.00 -1.38 0.00 0.00 42.92 41.14 2ux0 s ASP 488 CO 0.03 -1.24 1.65 1.23 -0.00 0.00 0.00 175.17 176.84 2ux0 h GLY 489 N 0.17 -0.37 -1.12 2.12 0.00 -2.01 -0.41 103.07 101.46 2ux0 h GLY 489 Ca -0.36 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2ux0 h GLY 489 CO 0.43 -0.20 0.00 -1.06 0.00 0.00 0.00 176.54 175.72 2ux0 n GLN 490 N -5.35 0.61 0.00 4.80 3.00 -1.26 -4.81 117.38 114.37 2ux0 n GLN 490 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 2ux0 n GLN 490 Cb 0.26 -1.29 0.00 0.00 0.00 0.00 0.00 30.24 29.21 2ux0 n GLN 490 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ux0 n GLY 491 N 0.25 2.69 3.75 1.08 0.00 -0.16 -5.03 105.19 107.77 2ux0 n GLY 491 Ca 0.00 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 2.51 0.09 1.61 1.04 -1.26 -4.14 118.95 118.80 2ux0 s ARG 492 Ca 0.00 1.55 -0.13 0.00 -1.04 0.00 0.00 55.73 56.11 2ux0 s ARG 492 Cb 0.00 -1.90 -0.06 0.00 -2.04 0.00 0.00 34.95 30.95 2ux0 s ARG 492 CO 0.00 -1.51 0.46 -1.25 -0.04 0.00 0.00 175.30 172.96 2ux0 s PRO 493 N -4.01 3.88 0.16 3.89 0.04 -1.26 0.89 135.00 138.60 2ux0 s PRO 493 Ca 0.70 0.35 -0.02 0.00 0.04 0.00 0.00 61.00 62.07 2ux0 s PRO 493 Cb -0.24 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2ux0 s PRO 493 CO 0.43 0.55 0.11 1.03 0.04 0.00 0.00 177.00 179.17 2ux0 s ARG 494 N -1.77 1.06 0.06 4.56 0.52 0.47 -4.93 118.95 118.93 2ux0 s ARG 494 Ca 0.33 -1.49 0.08 0.00 -0.52 0.00 0.00 55.73 54.13 2ux0 s ARG 494 Cb -0.15 0.27 -0.03 0.00 0.52 0.00 0.00 34.95 35.56 2ux0 s ARG 494 CO 0.18 -0.33 -0.21 0.99 0.02 0.00 0.00 175.30 175.94 2ux0 s THR 495 N -4.08 1.73 0.01 0.02 2.01 -1.26 -1.33 115.64 112.74 2ux0 s THR 495 Ca 0.29 -1.33 0.03 0.00 0.31 0.00 0.00 61.69 60.99 2ux0 s THR 495 Cb 0.07 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 2ux0 s THR 495 CO 0.06 0.13 -0.10 -0.94 -0.69 0.00 0.00 174.62 173.08 2ux0 s SER 496 N -1.43 1.14 -0.06 3.53 1.04 -0.62 -4.96 113.70 112.34 2ux0 s SER 496 Ca 0.08 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2ux0 s SER 496 Cb -0.09 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 2ux0 s SER 496 CO 0.03 0.03 -0.05 -1.58 0.98 0.00 0.00 173.24 172.65 2ux0 s GLN 497 N -0.67 2.79 0.01 4.02 0.74 -1.26 -1.21 119.66 124.08 2ux0 s GLN 497 Ca 0.01 -0.53 -0.06 0.00 0.05 0.00 0.00 55.36 54.83 2ux0 s GLN 497 Cb -0.06 -2.63 -0.00 0.00 1.10 0.00 0.00 33.01 31.42 2ux0 s GLN 497 CO 0.00 0.67 0.11 -1.54 -0.55 0.00 0.00 175.29 173.98 2ux0 s SER 498 N -0.91 0.08 -0.18 6.67 1.04 -0.44 -4.51 113.70 115.45 2ux0 s SER 498 Ca 0.13 -0.30 -0.05 0.00 0.48 0.00 0.00 55.95 56.21 2ux0 s SER 498 Cb -0.11 0.19 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 2ux0 s SER 498 CO 0.02 -0.38 -0.00 -1.61 0.98 0.00 0.00 173.24 172.25 2ux0 s GLU 499 N -1.57 3.69 -0.03 4.02 8.01 0.20 -0.54 118.70 132.47 2ux0 s GLU 499 Ca -0.14 -0.49 0.02 0.00 0.01 0.00 0.00 54.97 54.37 2ux0 s GLU 499 Cb -0.07 -3.05 0.00 0.00 -4.31 0.00 0.00 34.13 26.70 2ux0 s GLU 499 CO 0.00 0.12 -0.09 -1.21 0.01 0.00 0.00 175.26 174.10 2ux0 s GLU 500 N 0.71 0.93 -0.10 1.61 2.02 0.09 -1.05 118.70 122.91 2ux0 s GLU 500 Ca -0.00 -0.29 0.03 0.00 0.02 0.00 0.00 54.97 54.73 2ux0 s GLU 500 Cb -0.14 -0.87 -0.01 0.00 0.10 0.00 0.00 34.13 33.21 2ux0 s GLU 500 CO 0.02 0.11 -0.21 0.99 0.02 0.00 0.00 175.26 176.19 2ux0 s THR 501 N 0.19 2.39 -0.07 3.63 2.01 0.24 -1.38 115.64 122.66 2ux0 s THR 501 Ca -0.03 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.08 2ux0 s THR 501 Cb -0.08 -1.93 0.01 0.00 0.01 0.00 0.00 72.50 70.50 2ux0 s THR 501 CO 0.00 0.55 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.21 2ux0 s ARG 502 N 0.16 2.01 -0.14 4.92 1.81 -0.23 -0.93 118.95 126.55 2ux0 s ARG 502 Ca -0.11 -0.53 -0.06 0.00 -1.72 0.00 0.00 55.73 53.31 2ux0 s ARG 502 Cb -0.16 -1.61 -0.04 0.00 -0.45 0.00 0.00 34.95 32.69 2ux0 s ARG 502 CO 0.06 0.08 0.05 0.08 -0.68 0.00 0.00 175.30 174.90 2ux0 s VAL 503 N 0.54 4.73 0.01 3.52 1.01 -0.40 -1.00 120.40 128.80 2ux0 s VAL 503 Ca -0.15 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 61.84 2ux0 s VAL 503 Cb -0.16 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 2ux0 s VAL 503 CO 0.05 0.53 -0.23 0.26 0.00 0.00 0.00 175.10 175.71 2ux0 s TRP 504 N -0.24 2.04 -0.06 5.22 0.52 -0.09 -1.15 118.94 125.18 2ux0 s TRP 504 Ca 0.08 -0.39 -0.01 0.00 0.02 0.00 0.00 56.10 55.80 2ux0 s TRP 504 Cb -0.12 -1.27 0.03 0.00 -1.15 0.00 0.00 33.47 30.95 2ux0 s TRP 504 CO 0.02 0.03 0.00 -1.58 0.02 0.00 0.00 176.95 175.44 2ux0 s HIS 505 N -0.65 0.57 -0.27 -1.98 2.46 -0.03 -1.74 115.29 113.65 2ux0 s HIS 505 Ca 0.09 -0.10 -0.22 0.00 0.47 0.00 0.00 55.06 55.30 2ux0 s HIS 505 Cb -0.09 -0.71 -0.01 0.00 -0.13 0.00 0.00 32.58 31.64 2ux0 s HIS 505 CO 0.00 -0.28 0.69 0.50 -2.47 0.00 0.00 174.74 173.19 2ux0 s ARG 506 N 1.80 4.06 -0.09 2.88 3.52 0.03 -0.96 118.95 130.18 2ux0 s ARG 506 Ca 0.02 0.57 0.02 0.00 -0.13 0.00 0.00 55.73 56.22 2ux0 s ARG 506 Cb -0.13 -3.68 0.01 0.00 -1.56 0.00 0.00 34.95 29.60 2ux0 s ARG 506 CO -0.04 -0.51 -0.16 0.50 -0.81 0.00 0.00 175.30 174.28 2ux0 s ARG 507 N 2.66 2.19 -1.35 5.12 3.52 -0.63 -4.78 118.95 125.68 2ux0 s ARG 507 Ca 0.29 -0.57 -0.02 0.00 -0.13 0.00 0.00 55.73 55.30 2ux0 s ARG 507 Cb -0.15 -1.80 0.01 0.00 -1.56 0.00 0.00 34.95 31.45 2ux0 s ARG 507 CO 0.10 0.00 0.67 -3.47 -0.81 0.00 0.00 175.30 171.79 2ux0 n ASP 508 N 3.97 -1.34 0.00 -2.12 -0.08 -1.26 -2.31 116.55 113.41 2ux0 n ASP 508 Ca -0.20 -0.86 0.00 0.00 -1.51 0.00 0.00 54.79 52.22 2ux0 n ASP 508 Cb 0.52 -3.81 0.00 0.00 2.34 0.00 0.00 41.12 40.16 2ux0 n ASP 508 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ux0 n GLY 509 N -1.67 1.19 3.30 0.27 0.00 -1.26 -4.98 105.19 102.03 2ux0 n GLY 509 Ca -0.27 0.00 -0.33 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 -0.20 3.26 0.02 1.61 0.00 -0.98 -5.10 119.74 118.36 2ux0 s LYS 510 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 55.97 54.93 2ux0 s LYS 510 Cb 0.00 -2.60 -0.05 0.00 0.00 0.00 0.00 37.83 35.17 2ux0 s LYS 510 CO 0.00 0.10 1.30 -1.58 0.00 0.00 0.00 175.35 175.17 2ux0 s TRP 511 N 0.62 3.15 -0.02 1.78 0.52 -1.26 -1.61 118.94 122.11 2ux0 s TRP 511 Ca -0.08 1.06 0.05 0.00 0.02 0.00 0.00 56.10 57.15 2ux0 s TRP 511 Cb -0.16 -3.55 -0.01 0.00 -1.15 0.00 0.00 33.47 28.61 2ux0 s TRP 511 CO 0.03 -1.86 -0.17 -0.51 0.02 0.00 0.00 176.95 174.45 2ux0 s LEU 512 N 1.80 2.00 -0.32 2.99 1.43 -0.13 -4.83 118.68 121.62 2ux0 s LEU 512 Ca 0.61 -0.32 -0.27 0.00 -1.03 0.00 0.00 54.13 53.11 2ux0 s LEU 512 Cb -0.30 -0.91 0.01 0.00 0.03 0.00 0.00 46.19 45.02 2ux0 s LEU 512 CO 0.27 0.20 0.98 0.21 0.23 0.00 0.00 176.35 178.24 2ux0 s ASN 513 N -0.30 6.84 -0.11 2.29 3.04 -0.42 -0.85 114.94 125.43 2ux0 s ASN 513 Ca 0.04 0.92 0.20 0.00 0.04 0.00 0.00 52.86 54.06 2ux0 s ASN 513 Cb -0.08 -2.50 -0.28 0.00 -1.54 0.00 0.00 41.25 36.85 2ux0 s ASN 513 CO -0.00 -0.79 0.29 1.33 -3.04 0.00 0.00 177.10 174.89 2ux0 n VAL 514 N 5.76 0.76 -3.82 -5.21 0.24 -0.30 -1.54 118.33 114.21 2ux0 n VAL 514 Ca 0.09 -0.69 -0.12 0.00 -2.04 0.00 0.00 64.34 61.58 2ux0 n VAL 514 Cb 0.47 -0.27 -0.10 0.00 -1.47 0.00 0.00 33.84 32.48 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 -2.97 -0.07 -0.08 6.34 5.65 -1.21 -2.08 115.29 120.88 2ux0 s HIS 515 Ca -0.09 0.09 -0.03 0.00 0.25 0.00 0.00 55.06 55.27 2ux0 s HIS 515 Cb 0.10 0.02 0.04 0.00 -1.18 0.00 0.00 32.58 31.55 2ux0 s HIS 515 CO 0.86 -0.30 0.17 -0.47 -0.65 0.00 0.00 174.74 174.35 2ux0 s TYR 516 N -1.20 -0.20 -0.11 3.88 5.04 -0.72 -1.27 117.35 122.77 2ux0 s TYR 516 Ca -0.13 0.56 0.01 0.00 -2.44 0.00 0.00 57.07 55.08 2ux0 s TYR 516 Cb -0.06 -0.07 0.02 0.00 0.35 0.00 0.00 41.96 42.20 2ux0 s TYR 516 CO 0.02 -0.19 -0.14 -1.58 -1.34 0.00 0.00 175.55 172.33 2ux0 s HIS 517 N 1.28 1.85 -0.08 4.97 5.65 -0.10 -0.82 115.29 128.04 2ux0 s HIS 517 Ca -0.08 -0.88 0.02 0.00 0.25 0.00 0.00 55.06 54.37 2ux0 s HIS 517 Cb -0.11 -1.37 0.01 0.00 -1.18 0.00 0.00 32.58 29.93 2ux0 s HIS 517 CO -0.07 -0.48 -0.14 0.00 -0.65 0.00 0.00 174.74 173.40 2ux0 s SER 519 N 0.65 2.37 0.00 0.00 1.04 -0.22 -3.98 113.70 113.55 2ux0 s SER 519 Ca -0.15 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2ux0 s SER 519 Cb -0.16 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.75 2ux0 s SER 519 CO 0.04 0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.05 2ux0 n GLY 520 N 2.07 2.51 3.91 7.32 0.00 -1.26 -0.63 105.19 119.11 2ux0 n GLY 520 Ca -0.17 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2ux0 n GLY 520 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32