#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ux0 s THR 387 N 0.00 3.11 0.46 1.12 2.01 -1.26 -4.87 115.64 116.22 2ux0 s THR 387 Ca 0.00 0.63 0.37 0.00 0.31 0.00 0.00 61.69 63.00 2ux0 s THR 387 Cb 0.00 -3.20 0.39 0.00 0.01 0.00 0.00 72.50 69.70 2ux0 s THR 387 CO 0.00 -0.21 2.20 1.05 -0.69 0.00 0.00 174.62 176.97 2ux0 h GLU 388 N 0.76 0.00 -0.09 4.92 4.11 -2.05 -0.60 114.58 121.63 2ux0 h GLU 388 Ca -0.49 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.90 2ux0 h GLU 388 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 2ux0 h GLU 388 CO 0.56 0.03 -0.09 -0.44 0.07 0.00 0.00 179.01 179.13 2ux0 h ASP 389 N 0.00 0.24 -0.51 3.06 3.32 -1.99 -0.69 116.42 119.84 2ux0 h ASP 389 Ca -0.00 -0.48 -0.10 0.00 0.02 0.00 0.00 57.03 56.47 2ux0 h ASP 389 Cb 0.21 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2ux0 h ASP 389 CO 0.00 0.67 -0.06 -0.08 -1.72 0.00 0.00 179.24 178.06 2ux0 h GLU 390 N -0.19 0.95 -0.45 3.56 4.22 -1.87 -1.65 114.58 119.15 2ux0 h GLU 390 Ca 0.01 -0.33 0.07 0.00 0.08 0.00 0.00 59.36 59.19 2ux0 h GLU 390 Cb 0.60 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 2ux0 h GLU 390 CO 0.02 0.99 0.11 0.22 -2.18 0.00 0.00 179.01 178.17 2ux0 h ASP 391 N 0.81 0.04 -0.43 1.04 1.82 -1.16 -1.40 116.42 117.15 2ux0 h ASP 391 Ca 0.14 0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.79 2ux0 h ASP 391 Cb 0.60 0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.69 2ux0 h ASP 391 CO 0.04 0.06 0.04 0.25 -1.61 0.00 0.00 179.24 178.01 2ux0 h LEU 392 N 0.25 0.70 -0.54 2.28 5.85 -0.86 -2.25 115.31 120.75 2ux0 h LEU 392 Ca 0.22 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.73 2ux0 h LEU 392 Cb 0.26 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 2ux0 h LEU 392 CO -0.27 0.81 0.20 0.50 -0.34 0.00 0.00 178.44 179.34 2ux0 h LYS 393 N 0.57 0.38 -0.13 1.25 1.63 -1.07 -0.87 116.57 118.33 2ux0 h LYS 393 Ca 0.13 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 2ux0 h LYS 393 Cb 0.42 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 2ux0 h LYS 393 CO 0.01 0.25 0.08 0.28 -3.45 0.00 0.00 179.45 176.63 2ux0 h VAL 394 N 0.39 1.02 -0.35 2.00 2.07 -1.00 -0.40 116.25 119.98 2ux0 h VAL 394 Ca 0.26 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.72 2ux0 h VAL 394 Cb 0.28 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2ux0 h VAL 394 CO -0.25 0.03 0.23 0.03 0.02 0.00 0.00 177.57 177.63 2ux0 h ARG 395 N 0.17 0.46 -0.65 1.57 3.08 -1.17 0.07 114.38 117.92 2ux0 h ARG 395 Ca 0.05 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.14 2ux0 h ARG 395 Cb -0.01 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 29.88 2ux0 h ARG 395 CO -0.02 0.30 0.35 0.87 -1.07 0.00 0.00 179.97 180.40 2ux0 h LYS 396 N 0.47 0.62 -0.39 0.04 1.57 -0.90 -1.11 116.57 116.87 2ux0 h LYS 396 Ca 0.13 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2ux0 h LYS 396 Cb -0.05 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 2ux0 h LYS 396 CO -0.03 0.41 -0.01 0.37 -0.57 0.00 0.00 179.45 179.62 2ux0 h GLN 397 N 0.64 0.62 -0.71 3.15 5.75 -0.56 -2.33 115.11 121.68 2ux0 h GLN 397 Ca 0.29 -0.15 0.09 0.00 -0.15 0.00 0.00 58.65 58.73 2ux0 h GLN 397 Cb 0.21 -0.08 -0.07 0.00 1.07 0.00 0.00 27.48 28.61 2ux0 h GLN 397 CO -0.19 0.65 0.35 1.49 -2.65 0.00 0.00 178.83 178.48 2ux0 h GLU 398 N 0.59 0.59 -0.11 1.69 4.81 0.27 0.05 114.58 122.46 2ux0 h GLU 398 Ca 0.12 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.15 2ux0 h GLU 398 Cb 0.39 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2ux0 h GLU 398 CO 0.02 0.39 -0.65 0.82 -0.73 0.00 0.00 179.01 178.86 2ux0 h ILE 399 N 0.61 1.36 -0.11 2.32 1.08 -1.03 -2.57 117.51 119.16 2ux0 h ILE 399 Ca 0.34 -1.99 -0.02 0.00 -0.39 0.00 0.00 64.86 62.81 2ux0 h ILE 399 Cb 0.35 1.98 -0.00 0.00 -3.07 0.00 0.00 36.82 36.07 2ux0 h ILE 399 CO -0.26 0.60 0.00 0.40 -0.69 0.00 0.00 178.15 178.20 2ux0 h ILE 400 N 0.31 1.25 -0.34 -0.67 2.04 -0.92 -1.41 117.51 117.76 2ux0 h ILE 400 Ca -0.01 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.10 2ux0 h ILE 400 Cb 1.20 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 2ux0 h ILE 400 CO 0.11 0.23 0.13 0.50 0.00 0.00 0.00 178.15 179.11 2ux0 h LYS 401 N -0.07 0.27 -0.24 2.37 1.63 -0.94 -0.04 116.57 119.55 2ux0 h LYS 401 Ca 0.03 -0.02 -0.14 0.00 -0.85 0.00 0.00 60.65 59.68 2ux0 h LYS 401 Cb 0.34 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 2ux0 h LYS 401 CO 0.01 0.18 -0.43 0.97 -3.45 0.00 0.00 179.45 176.72 2ux0 h ILE 402 N 0.28 1.30 -0.55 2.00 2.10 -1.45 -0.43 117.51 120.76 2ux0 h ILE 402 Ca 0.15 -1.62 0.02 0.00 1.08 0.00 0.00 64.86 64.49 2ux0 h ILE 402 Cb 0.12 1.59 -0.03 0.00 -1.09 0.00 0.00 36.82 37.40 2ux0 h ILE 402 CO -0.15 0.51 0.34 0.74 -1.08 0.00 0.00 178.15 178.52 2ux0 h THR 403 N 0.48 1.10 -0.81 2.19 2.02 -0.93 -0.66 112.91 116.29 2ux0 h THR 403 Ca 0.03 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 2ux0 h THR 403 Cb 0.95 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 2ux0 h THR 403 CO 0.09 0.13 0.40 -0.33 0.37 0.00 0.00 175.52 176.18 2ux0 h GLU 404 N 0.69 1.15 -0.53 6.66 5.08 -0.47 -1.96 114.58 125.21 2ux0 h GLU 404 Ca 0.21 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 2ux0 h GLU 404 Cb -0.03 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 2ux0 h GLU 404 CO -0.07 0.87 -0.09 1.96 -1.00 0.00 0.00 179.01 180.68 2ux0 h GLN 405 N 1.15 0.98 -0.56 2.33 4.20 -0.72 -1.11 115.11 121.37 2ux0 h GLN 405 Ca 0.28 -0.34 0.04 0.00 0.06 0.00 0.00 58.65 58.69 2ux0 h GLN 405 Cb 0.09 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 2ux0 h GLN 405 CO -0.04 1.02 0.30 1.25 -0.67 0.00 0.00 178.83 180.69 2ux0 h LEU 406 N 0.88 0.46 -0.87 1.46 5.85 -0.71 -0.99 115.31 121.39 2ux0 h LEU 406 Ca 0.14 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 2ux0 h LEU 406 Cb 0.64 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 2ux0 h LEU 406 CO 0.04 0.31 -0.12 0.40 -0.34 0.00 0.00 178.44 178.74 2ux0 h ILE 407 N 0.59 1.25 -0.48 4.05 2.04 -1.00 -1.60 117.51 122.36 2ux0 h ILE 407 Ca 0.24 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 2ux0 h ILE 407 Cb 0.11 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2ux0 h ILE 407 CO -0.15 0.39 0.25 -0.08 0.00 0.00 0.00 178.15 178.56 2ux0 h GLU 408 N 0.64 0.68 -0.77 2.37 4.57 -0.70 -1.11 114.58 120.27 2ux0 h GLU 408 Ca 0.11 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2ux0 h GLU 408 Cb 0.57 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 2ux0 h GLU 408 CO 0.04 0.55 0.39 0.00 -1.18 0.00 0.00 179.01 178.80 2ux0 h ALA 409 N 1.10 1.23 0.05 2.92 0.00 -0.62 -0.57 119.26 123.37 2ux0 h ALA 409 Ca 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ux0 h ALA 409 Cb 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2ux0 h ALA 409 CO -0.03 0.60 -0.02 0.82 0.00 0.00 0.00 179.25 180.62 2ux0 h ILE 410 N 1.08 1.07 -0.92 0.00 2.04 -1.09 0.89 117.51 120.58 2ux0 h ILE 410 Ca 0.27 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 2ux0 h ILE 410 Cb 0.08 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 2ux0 h ILE 410 CO -0.04 0.10 0.56 0.78 0.00 0.00 0.00 178.15 179.55 2ux0 h ASN 411 N -0.24 1.10 1.21 1.72 4.21 -0.91 -2.00 115.58 120.68 2ux0 h ASN 411 Ca -0.01 -0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.44 2ux0 h ASN 411 Cb 0.21 -0.28 0.00 0.00 -1.12 0.00 0.00 38.32 37.13 2ux0 h ASN 411 CO 0.01 0.84 0.00 0.59 -1.29 0.00 0.00 177.43 177.58 2ux0 n ASN 412 N -4.38 0.44 -1.03 5.81 3.02 -0.25 -4.88 115.26 114.00 2ux0 n ASN 412 Ca 0.10 0.55 -0.08 0.00 -0.03 0.00 0.00 54.58 55.12 2ux0 n ASN 412 Cb 0.05 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 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 1.27 0.10 3.43 7.41 0.00 -0.74 -4.49 105.19 112.16 2ux0 n GLY 413 Ca 0.06 -0.52 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 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 6.31 0.25 1.61 3.68 0.23 -4.39 116.67 121.64 2ux0 s ASP 414 Ca 0.03 -1.43 0.12 0.00 2.13 0.00 0.00 52.55 53.40 2ux0 s ASP 414 Cb -0.02 -2.38 0.18 0.00 -1.45 0.00 0.00 42.92 39.25 2ux0 s ASP 414 CO 0.04 -1.23 1.49 0.15 0.13 0.00 0.00 175.17 175.75 2ux0 h PHE 415 N 9.22 0.00 -0.31 -5.34 3.57 -1.94 -1.52 116.94 120.61 2ux0 h PHE 415 Ca -0.16 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.21 2ux0 h PHE 415 Cb 1.06 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 2ux0 h PHE 415 CO 0.98 0.67 -0.30 0.93 -2.23 0.00 0.00 178.31 178.36 2ux0 h GLU 416 N 0.00 0.76 -0.60 1.11 3.07 -1.97 0.21 114.58 117.16 2ux0 h GLU 416 Ca -0.01 -0.40 -0.03 0.00 -0.50 0.00 0.00 59.36 58.43 2ux0 h GLU 416 Cb 1.34 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.23 2ux0 h GLU 416 CO 0.09 1.02 0.26 0.00 -1.40 0.00 0.00 179.01 178.98 2ux0 h ALA 417 N 0.72 0.77 0.16 3.43 0.00 -1.95 -2.30 119.26 120.09 2ux0 h ALA 417 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2ux0 h ALA 417 Cb 0.88 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2ux0 h ALA 417 CO 0.08 0.37 -0.16 -0.92 0.00 0.00 0.00 179.25 178.62 2ux0 h TYR 418 N 0.82 -0.40 0.00 0.00 3.20 -0.99 -2.51 116.97 117.09 2ux0 h TYR 418 Ca 0.20 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 2ux0 h TYR 418 Cb 0.17 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2ux0 h TYR 418 CO 0.01 -0.24 -0.18 1.79 -1.64 0.00 0.00 178.16 177.90 2ux0 h THR 419 N -0.34 0.98 -0.17 1.81 1.35 -0.54 -1.53 112.91 114.47 2ux0 h THR 419 Ca 0.00 -0.63 -0.11 0.00 -0.55 0.00 0.00 66.41 65.12 2ux0 h THR 419 Cb 0.32 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 2ux0 h THR 419 CO -0.04 0.17 -0.38 0.50 -0.25 0.00 0.00 175.52 175.53 2ux0 h LYS 420 N 0.00 0.37 0.00 4.72 1.63 -1.13 -3.22 116.57 118.94 2ux0 h LYS 420 Ca -0.00 -0.17 -0.06 0.00 -0.85 0.00 0.00 60.65 59.57 2ux0 h LYS 420 Cb 0.34 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 2ux0 h LYS 420 CO 0.02 0.70 -1.20 -0.89 -3.45 0.00 0.00 179.45 174.63 2ux0 n ILE 421 N -4.05 0.78 -3.93 2.00 5.41 -0.83 -4.90 119.36 113.85 2ux0 n ILE 421 Ca -0.01 -0.60 -0.37 0.00 1.00 0.00 0.00 62.75 62.77 2ux0 n ILE 421 Cb 0.47 -0.45 -0.06 0.00 -0.71 0.00 0.00 39.64 38.89 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 -0.95 6.45 0.58 0.00 2.15 -0.56 -4.79 116.67 119.55 2ux0 s ASP 423 Ca 0.14 2.66 0.32 0.00 0.43 0.00 0.00 52.55 56.10 2ux0 s ASP 423 Cb -0.12 -2.64 1.80 0.00 -0.30 0.00 0.00 42.92 41.66 2ux0 s ASP 423 CO 0.04 -0.75 2.21 -0.65 -0.17 0.00 0.00 175.17 175.85 2ux0 h PRO 424 N 2.89 0.00 -0.65 4.34 0.11 -1.89 -1.53 132.00 135.26 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 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2ux0 h PRO 424 CO 0.63 0.04 0.00 0.41 -0.21 0.00 0.00 178.00 178.87 2ux0 n GLY 425 N -1.05 1.86 3.64 -0.55 0.00 -1.26 -4.75 105.19 103.08 2ux0 n GLY 425 Ca -0.03 -0.49 -0.51 0.00 0.00 0.00 0.00 46.02 45.00 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 0.46 2.34 -4.70 0.99 7.94 -0.58 -4.90 117.00 118.54 2ux0 n LEU 426 Ca 0.15 1.09 -0.30 0.00 -1.11 0.00 0.00 56.01 55.84 2ux0 n LEU 426 Cb 0.63 -1.27 -0.08 0.00 0.53 0.00 0.00 43.42 43.24 2ux0 n LEU 426 CO 0.15 -0.65 -0.32 0.42 -1.11 0.00 0.00 177.39 175.88 2ux0 s THR 427 N 1.32 4.09 -0.05 1.96 -4.23 -0.83 -0.85 115.64 117.06 2ux0 s THR 427 Ca 0.85 -0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 60.37 2ux0 s THR 427 Cb -0.86 -2.95 0.03 0.00 1.34 0.00 0.00 72.50 70.05 2ux0 s THR 427 CO 0.47 0.11 0.11 -0.55 -0.54 0.00 0.00 174.62 174.22 2ux0 s SER 428 N -2.34 -0.07 -0.23 3.99 0.15 -0.25 -1.73 113.70 113.23 2ux0 s SER 428 Ca 0.26 0.21 -0.09 0.00 0.70 0.00 0.00 55.95 57.03 2ux0 s SER 428 Cb -0.12 0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.29 2ux0 s SER 428 CO 0.19 -0.11 0.12 -0.36 1.20 0.00 0.00 173.24 174.28 2ux0 s PHE 429 N 0.78 3.26 -0.03 3.44 2.99 -0.05 -1.67 117.98 126.70 2ux0 s PHE 429 Ca -0.06 0.08 -0.29 0.00 0.00 0.00 0.00 56.93 56.66 2ux0 s PHE 429 Cb -0.08 -2.21 0.09 0.00 0.00 0.00 0.00 43.02 40.82 2ux0 s PHE 429 CO -0.03 0.02 0.77 -1.83 -0.00 0.00 0.00 175.22 174.15 2ux0 s GLU 430 N 0.96 0.96 0.37 0.44 -1.05 -1.26 -0.53 118.70 118.60 2ux0 s GLU 430 Ca 0.06 0.00 0.15 0.00 -0.15 0.00 0.00 54.97 55.04 2ux0 s GLU 430 Cb -0.13 0.45 1.03 0.00 -0.44 0.00 0.00 34.13 35.03 2ux0 s GLU 430 CO 0.03 -0.35 1.76 -1.35 0.95 0.00 0.00 175.26 176.31 2ux0 h PRO 431 N 2.55 0.45 0.00 -4.83 0.11 -1.90 0.23 132.00 128.60 2ux0 h PRO 431 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2ux0 h PRO 431 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2ux0 h PRO 431 CO 0.36 0.30 0.00 0.93 -0.21 0.00 0.00 178.00 179.37 2ux0 h GLU 432 N 0.46 0.00 -0.02 1.05 4.39 -1.97 -2.52 114.58 115.98 2ux0 h GLU 432 Ca 0.61 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.31 2ux0 h GLU 432 Cb 1.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 2ux0 h GLU 432 CO -0.35 0.00 -0.00 0.00 -1.16 0.00 0.00 179.01 177.50 2ux0 n ALA 433 N -1.87 2.57 -3.71 3.43 0.00 0.80 -4.97 120.51 116.76 2ux0 n ALA 433 Ca 0.02 -0.46 -0.26 0.00 0.00 0.00 0.00 53.44 52.75 2ux0 n ALA 433 Cb 0.30 -1.15 0.06 0.00 0.00 0.00 0.00 19.45 18.66 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 0.23 -3.12 0.00 0.00 4.77 -0.95 -2.10 117.00 115.82 2ux0 n LEU 434 Ca 0.19 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 2ux0 n LEU 434 Cb 0.37 -2.86 0.00 0.00 -2.33 0.00 0.00 43.42 38.60 2ux0 n LEU 434 CO 0.16 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 2ux0 n GLY 435 N -1.84 0.84 3.95 -0.72 0.00 -1.26 -5.05 105.19 101.11 2ux0 n GLY 435 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 6.32 -0.20 1.61 0.01 -0.89 -5.07 114.94 113.71 2ux0 s ASN 436 Ca 0.00 0.13 -0.17 0.00 -0.71 0.00 0.00 52.86 52.10 2ux0 s ASN 436 Cb 0.00 -1.88 -0.03 0.00 0.41 0.00 0.00 41.25 39.74 2ux0 s ASN 436 CO 0.00 0.01 0.47 -0.22 -1.51 0.00 0.00 177.10 175.85 2ux0 s LEU 437 N -3.51 4.15 0.14 0.60 2.96 -1.26 -4.52 118.68 117.23 2ux0 s LEU 437 Ca 0.34 0.61 0.09 0.00 -0.22 0.00 0.00 54.13 54.95 2ux0 s LEU 437 Cb -0.10 -2.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 2ux0 s LEU 437 CO 0.29 -0.14 -0.17 0.68 -1.32 0.00 0.00 176.35 175.68 2ux0 s VAL 438 N 1.51 2.84 -0.58 1.68 -7.23 -0.67 -4.92 120.40 113.03 2ux0 s VAL 438 Ca 0.22 -1.62 -0.27 0.00 -1.81 0.00 0.00 61.98 58.49 2ux0 s VAL 438 Cb -0.15 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.46 2ux0 s VAL 438 CO 0.09 0.02 1.57 -1.61 -0.31 0.00 0.00 175.10 174.86 2ux0 s GLU 439 N -2.37 3.08 0.56 4.82 0.41 -1.26 -1.09 118.70 122.85 2ux0 s GLU 439 Ca 0.20 0.50 0.28 0.00 -0.41 0.00 0.00 54.97 55.54 2ux0 s GLU 439 Cb -0.10 -4.22 1.47 0.00 -1.78 0.00 0.00 34.13 29.50 2ux0 s GLU 439 CO 0.11 -2.20 1.95 0.78 -0.49 0.00 0.00 175.26 175.41 2ux0 h GLY 440 N 14.16 0.00 1.32 -1.39 0.00 -1.29 -2.91 103.07 112.95 2ux0 h GLY 440 Ca -0.27 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.85 2ux0 h GLY 440 CO 1.19 0.00 -0.75 -0.33 0.00 0.00 0.00 176.54 176.65 2ux0 h MET 441 N 0.00 0.67 -0.06 4.80 2.86 -1.86 -1.49 114.93 119.86 2ux0 h MET 441 Ca 0.25 -0.54 -0.11 0.00 -2.06 0.00 0.00 59.70 57.24 2ux0 h MET 441 Cb 1.14 0.11 0.01 0.00 0.06 0.00 0.00 31.60 32.92 2ux0 h MET 441 CO -0.00 1.16 -0.38 0.22 1.06 0.00 0.00 176.91 178.97 2ux0 h ASP 442 N 0.46 0.43 0.47 1.22 3.58 -1.90 -3.24 116.42 117.45 2ux0 h ASP 442 Ca -0.04 -0.68 -0.09 0.00 0.42 0.00 0.00 57.03 56.64 2ux0 h ASP 442 Cb 1.36 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.27 2ux0 h ASP 442 CO 0.15 1.04 -0.44 0.15 -2.88 0.00 0.00 179.24 177.26 2ux0 h PHE 443 N -0.14 0.00 0.00 0.28 3.04 -1.55 -2.84 116.94 115.73 2ux0 h PHE 443 Ca -0.03 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2ux0 h PHE 443 Cb 1.05 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.56 2ux0 h PHE 443 CO 0.13 0.44 -0.44 0.45 -2.02 0.00 0.00 178.31 176.87 2ux0 h HIS 444 N 0.00 0.00 -0.89 0.41 3.86 -1.40 -3.33 115.15 113.80 2ux0 h HIS 444 Ca -0.00 0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.38 2ux0 h HIS 444 Cb 0.80 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.20 2ux0 h HIS 444 CO 0.00 0.00 0.58 0.87 0.86 0.00 0.00 177.93 180.24 2ux0 h LYS 445 N 0.00 0.53 -0.71 2.45 6.56 -1.52 -1.94 116.57 121.93 2ux0 h LYS 445 Ca 0.00 -0.03 -0.03 0.00 -1.06 0.00 0.00 60.65 59.53 2ux0 h LYS 445 Cb 0.97 -0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 32.48 2ux0 h LYS 445 CO 0.00 0.35 0.32 0.35 -2.06 0.00 0.00 179.45 178.41 2ux0 h PHE 446 N 0.54 1.03 0.00 -1.35 3.57 -1.74 -0.95 116.94 118.04 2ux0 h PHE 446 Ca 0.46 -0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.78 2ux0 h PHE 446 Cb 0.94 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 2ux0 h PHE 446 CO -0.00 0.76 -0.61 1.88 -2.23 0.00 0.00 178.31 178.11 2ux0 h TYR 447 N 1.02 0.00 0.05 0.41 -1.99 -1.59 -1.92 116.97 112.95 2ux0 h TYR 447 Ca 0.24 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.88 2ux0 h TYR 447 Cb 0.13 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.87 2ux0 h TYR 447 CO 0.01 0.61 -0.38 0.74 -0.00 0.00 0.00 178.16 179.14 2ux0 h PHE 448 N 0.00 0.29 -0.38 4.88 -1.00 -1.34 0.13 116.94 119.52 2ux0 h PHE 448 Ca -0.01 -0.19 -0.02 0.00 2.81 0.00 0.00 57.97 60.56 2ux0 h PHE 448 Cb 1.24 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.76 2ux0 h PHE 448 CO 0.00 1.09 0.17 0.93 -1.61 0.00 0.00 178.31 178.89 2ux0 h GLU 449 N -0.59 0.53 -0.01 1.51 5.08 -1.19 -3.22 114.58 116.70 2ux0 h GLU 449 Ca -0.06 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2ux0 h GLU 449 Cb 1.23 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2ux0 h GLU 449 CO 0.07 0.43 0.00 0.09 -1.00 0.00 0.00 179.01 178.60 2ux0 n ASN 450 N -4.40 1.98 0.06 1.42 3.02 -0.72 -4.85 115.26 111.77 2ux0 n ASN 450 Ca 0.03 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 2ux0 n ASN 450 Cb 0.13 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 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 -0.44 -0.99 -0.16 3.41 7.94 -0.97 -4.93 117.00 120.86 2ux0 n LEU 451 Ca 0.00 0.24 -0.09 0.00 -1.11 0.00 0.00 56.01 55.04 2ux0 n LEU 451 Cb 0.24 1.22 -0.00 0.00 0.53 0.00 0.00 43.42 45.42 2ux0 n LEU 451 CO 0.00 -0.33 0.84 -0.07 -1.11 0.00 0.00 177.39 176.73 2ux0 h LEU 452 N 0.00 0.75 -0.62 -1.96 3.38 -1.13 -1.73 115.31 113.99 2ux0 h LEU 452 Ca 0.00 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.56 2ux0 h LEU 452 Cb 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2ux0 h LEU 452 CO 0.00 0.83 -0.48 0.77 0.09 0.00 0.00 178.44 179.64 2ux0 h SER 453 N 0.64 0.56 0.37 -0.43 4.64 -1.76 -3.26 113.55 114.31 2ux0 h SER 453 Ca 0.14 -0.27 -0.03 0.00 -0.47 0.00 0.00 61.79 61.16 2ux0 h SER 453 Cb 0.40 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2ux0 h SER 453 CO 0.01 0.95 -0.13 0.11 -0.87 0.00 0.00 176.83 176.90 2ux0 h LYS 454 N 0.41 0.00 -6.37 4.77 6.56 -1.64 -3.45 116.57 116.85 2ux0 h LYS 454 Ca 0.02 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 59.07 2ux0 h LYS 454 Cb 1.00 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.62 2ux0 h LYS 454 CO 0.09 0.13 0.12 0.54 -2.06 0.00 0.00 179.45 178.26 2ux0 s ASN 455 N -6.23 7.25 0.00 0.86 4.22 -0.71 -4.94 114.94 115.39 2ux0 s ASN 455 Ca -0.03 1.48 0.00 0.00 -2.14 0.00 0.00 52.86 52.18 2ux0 s ASN 455 Cb 0.13 -2.45 0.01 0.00 1.28 0.00 0.00 41.25 40.22 2ux0 s ASN 455 CO 0.60 0.17 0.93 -1.54 -2.04 0.00 0.00 177.10 175.21 2ux0 n SER 456 N 2.01 1.88 -4.75 3.54 3.41 -1.26 -5.03 113.62 113.43 2ux0 n SER 456 Ca -0.06 -1.84 -0.41 0.00 -0.26 0.00 0.00 58.87 56.30 2ux0 n SER 456 Cb 0.50 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.85 4.44 0.49 4.33 1.02 -1.26 -4.97 119.74 122.94 2ux0 s LYS 457 Ca 0.01 2.03 -0.23 0.00 0.02 0.00 0.00 55.97 57.80 2ux0 s LYS 457 Cb 0.00 -3.16 -0.07 0.00 -0.52 0.00 0.00 37.83 34.09 2ux0 s LYS 457 CO 0.01 -0.12 1.26 -2.14 -0.92 0.00 0.00 175.35 173.44 2ux0 s PRO 458 N -0.88 3.53 -0.14 -1.68 0.02 -1.26 -4.98 135.00 129.61 2ux0 s PRO 458 Ca 0.52 2.02 -0.08 0.00 0.02 0.00 0.00 61.00 63.48 2ux0 s PRO 458 Cb -0.36 -2.40 0.05 0.00 0.02 0.00 0.00 34.50 31.82 2ux0 s PRO 458 CO 0.43 -0.81 0.35 0.96 -0.33 0.00 0.00 177.00 177.60 2ux0 s ILE 459 N -1.41 -0.03 -0.22 2.83 -4.36 -1.26 -3.97 121.20 112.78 2ux0 s ILE 459 Ca 0.66 0.12 -0.04 0.00 -0.26 0.00 0.00 60.65 61.13 2ux0 s ILE 459 Cb -0.35 -0.52 -0.01 0.00 1.25 0.00 0.00 42.46 42.83 2ux0 s ILE 459 CO 0.42 0.05 -0.04 -2.28 0.24 0.00 0.00 174.94 173.33 2ux0 s HIS 460 N 1.35 2.96 -0.11 1.37 2.46 -0.62 -4.97 115.29 117.73 2ux0 s HIS 460 Ca -0.09 -0.89 -0.12 0.00 0.47 0.00 0.00 55.06 54.43 2ux0 s HIS 460 Cb -0.09 -2.10 -0.05 0.00 -0.13 0.00 0.00 32.58 30.21 2ux0 s HIS 460 CO -0.11 -0.51 0.27 0.99 -2.47 0.00 0.00 174.74 172.91 2ux0 s THR 461 N 1.41 5.29 -0.09 0.89 2.01 -1.26 -0.69 115.64 123.20 2ux0 s THR 461 Ca 0.05 0.52 0.04 0.00 0.31 0.00 0.00 61.69 62.61 2ux0 s THR 461 Cb -0.14 -3.58 -0.00 0.00 0.01 0.00 0.00 72.50 68.78 2ux0 s THR 461 CO -0.03 0.50 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.29 2ux0 s THR 462 N -0.32 1.94 -0.26 -0.82 2.01 0.13 -4.99 115.64 113.33 2ux0 s THR 462 Ca 0.17 -0.96 -0.08 0.00 0.31 0.00 0.00 61.69 61.13 2ux0 s THR 462 Cb -0.14 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 2ux0 s THR 462 CO 0.06 0.54 0.09 -0.63 -0.69 0.00 0.00 174.62 173.99 2ux0 s ILE 463 N 0.28 4.45 -0.11 1.82 1.01 -1.26 -1.04 121.20 126.35 2ux0 s ILE 463 Ca -0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 2ux0 s ILE 463 Cb -0.17 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 2ux0 s ILE 463 CO 0.07 0.29 -0.06 -0.76 0.00 0.00 0.00 174.94 174.49 2ux0 s LEU 464 N 1.63 3.19 -1.29 2.97 1.43 0.64 -4.77 118.68 122.49 2ux0 s LEU 464 Ca 0.06 -0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.00 2ux0 s LEU 464 Cb -0.15 -1.73 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 2ux0 s LEU 464 CO 0.05 0.26 0.61 0.59 0.23 0.00 0.00 176.35 178.10 2ux0 n ASN 465 N 2.88 -2.29 -4.76 2.29 3.02 -1.26 -2.18 115.26 112.97 2ux0 n ASN 465 Ca -0.18 -0.97 -0.35 0.00 -0.03 0.00 0.00 54.58 53.06 2ux0 n ASN 465 Cb 0.53 -3.40 0.04 0.00 -0.61 0.00 0.00 39.78 36.34 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 -6.21 2.87 -0.04 3.52 0.04 -1.26 -4.67 135.00 129.25 2ux0 s PRO 466 Ca 0.17 1.64 -0.00 0.00 0.04 0.00 0.00 61.00 62.85 2ux0 s PRO 466 Cb -0.06 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.57 2ux0 s PRO 466 CO 0.86 -1.24 0.02 -1.58 0.04 0.00 0.00 177.00 175.09 2ux0 s HIS 467 N -1.92 0.28 -0.13 0.56 2.46 0.18 -5.00 115.29 111.73 2ux0 s HIS 467 Ca 0.73 0.04 0.01 0.00 0.47 0.00 0.00 55.06 56.31 2ux0 s HIS 467 Cb -0.26 -0.45 -0.01 0.00 -0.13 0.00 0.00 32.58 31.73 2ux0 s HIS 467 CO 0.36 -0.16 -0.15 0.08 -2.47 0.00 0.00 174.74 172.40 2ux0 s VAL 468 N 1.37 2.84 -0.31 0.89 1.01 -1.26 -1.19 120.40 123.77 2ux0 s VAL 468 Ca -0.05 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 2ux0 s VAL 468 Cb -0.13 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 2ux0 s VAL 468 CO -0.03 0.53 0.15 -1.00 0.00 0.00 0.00 175.10 174.76 2ux0 s HIS 469 N 0.37 3.18 -0.27 5.22 3.76 0.26 -4.99 115.29 122.82 2ux0 s HIS 469 Ca -0.12 -0.51 -0.21 0.00 -0.15 0.00 0.00 55.06 54.07 2ux0 s HIS 469 Cb -0.16 -2.35 -0.01 0.00 1.11 0.00 0.00 32.58 31.16 2ux0 s HIS 469 CO 0.06 -0.43 0.66 0.08 -0.85 0.00 0.00 174.74 174.26 2ux0 s VAL 470 N 1.63 4.94 -0.64 -0.90 1.01 -1.26 -1.39 120.40 123.79 2ux0 s VAL 470 Ca 0.05 1.08 0.03 0.00 0.00 0.00 0.00 61.98 63.14 2ux0 s VAL 470 Cb -0.17 -3.98 0.36 0.00 0.00 0.00 0.00 36.38 32.59 2ux0 s VAL 470 CO 0.06 -0.06 1.28 -0.38 0.00 0.00 0.00 175.10 176.00 2ux0 n ILE 471 N 5.29 3.42 0.00 2.22 5.41 -0.16 -4.99 119.36 130.55 2ux0 n ILE 471 Ca 0.00 -5.29 0.00 0.00 1.00 0.00 0.00 62.75 58.46 2ux0 n ILE 471 Cb 0.49 -1.36 0.00 0.00 -0.71 0.00 0.00 39.64 38.05 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 -0.33 0.28 0.37 7.39 0.00 -1.25 -4.19 105.19 107.46 2ux0 n GLY 472 Ca 0.39 -1.98 0.12 0.00 0.00 0.00 0.00 46.02 44.55 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 0.71 0.00 1.61 4.39 -2.03 -3.15 114.58 116.11 2ux0 h GLU 473 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2ux0 h GLU 473 Cb 0.00 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.49 2ux0 h GLU 473 CO 0.00 0.47 -0.00 -0.25 -1.16 0.00 0.00 179.01 178.07 2ux0 n ASP 474 N -4.62 1.99 -3.95 1.42 8.00 -1.26 -4.96 116.55 113.17 2ux0 n ASP 474 Ca 0.20 -2.00 -0.15 0.00 0.71 0.00 0.00 54.79 53.54 2ux0 n ASP 474 Cb 0.51 -0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.46 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 -1.00 0.40 0.28 2.24 0.00 -1.19 -1.00 121.76 121.47 2ux0 s ALA 475 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 51.96 51.65 2ux0 s ALA 475 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.02 2ux0 s ALA 475 CO 0.00 0.10 0.50 0.00 0.00 0.00 0.00 175.76 176.35 2ux0 s ALA 476 N -0.12 -0.07 -0.23 0.00 0.00 -0.70 -0.98 121.76 119.66 2ux0 s ALA 476 Ca 0.02 -1.00 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 2ux0 s ALA 476 Cb -0.02 1.06 0.08 0.00 0.00 0.00 0.00 23.12 24.24 2ux0 s ALA 476 CO -0.00 -0.85 0.54 0.00 0.00 0.00 0.00 175.76 175.44 2ux0 s ILE 478 N 1.75 1.95 -0.11 0.00 2.07 -0.07 -0.58 121.20 126.21 2ux0 s ILE 478 Ca -0.09 -0.98 0.03 0.00 -1.41 0.00 0.00 60.65 58.21 2ux0 s ILE 478 Cb -0.08 -1.67 -0.00 0.00 0.13 0.00 0.00 42.46 40.84 2ux0 s ILE 478 CO -0.16 0.54 -0.23 0.00 -1.91 0.00 0.00 174.94 173.18 2ux0 s ALA 479 N 0.09 2.22 0.09 1.50 0.00 -0.33 -0.82 121.76 124.52 2ux0 s ALA 479 Ca -0.10 -0.97 -0.15 0.00 0.00 0.00 0.00 51.96 50.74 2ux0 s ALA 479 Cb -0.15 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.13 2ux0 s ALA 479 CO 0.06 0.27 0.37 1.52 0.00 0.00 0.00 175.76 177.97 2ux0 s TYR 480 N 0.37 -0.17 -0.13 0.00 -0.85 -0.18 -0.65 117.35 115.74 2ux0 s TYR 480 Ca -0.17 -0.07 -0.12 0.00 -0.52 0.00 0.00 57.07 56.19 2ux0 s TYR 480 Cb -0.18 0.19 -0.05 0.00 0.38 0.00 0.00 41.96 42.31 2ux0 s TYR 480 CO 0.08 -0.63 0.25 0.42 -1.52 0.00 0.00 175.55 174.15 2ux0 s ILE 481 N -3.33 5.33 -0.25 -3.49 1.01 -0.93 -0.48 121.20 119.06 2ux0 s ILE 481 Ca 0.00 0.46 -0.01 0.00 0.00 0.00 0.00 60.65 61.09 2ux0 s ILE 481 Cb 0.01 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.95 2ux0 s ILE 481 CO -0.08 0.49 -0.06 -0.60 0.00 0.00 0.00 174.94 174.68 2ux0 s ARG 482 N -0.20 2.79 -0.17 2.79 3.52 0.36 -0.26 118.95 127.79 2ux0 s ARG 482 Ca 0.16 -1.01 -0.11 0.00 -0.13 0.00 0.00 55.73 54.64 2ux0 s ARG 482 Cb -0.13 -2.98 -0.05 0.00 -1.56 0.00 0.00 34.95 30.23 2ux0 s ARG 482 CO 0.05 -0.41 0.21 -0.51 -0.81 0.00 0.00 175.30 173.82 2ux0 s LEU 483 N 1.31 4.25 -0.19 -0.88 1.43 -0.20 -1.12 118.68 123.28 2ux0 s LEU 483 Ca -0.00 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 2ux0 s LEU 483 Cb -0.17 -2.22 0.04 0.00 0.03 0.00 0.00 46.19 43.87 2ux0 s LEU 483 CO -0.04 0.18 -0.13 -0.89 0.23 0.00 0.00 176.35 175.70 2ux0 s THR 484 N 0.18 1.77 0.03 5.49 2.01 -0.23 0.20 115.64 125.09 2ux0 s THR 484 Ca 0.13 -1.00 -0.20 0.00 0.31 0.00 0.00 61.69 60.93 2ux0 s THR 484 Cb -0.12 -1.77 -0.06 0.00 0.01 0.00 0.00 72.50 70.56 2ux0 s THR 484 CO 0.02 0.27 0.57 -1.10 -0.69 0.00 0.00 174.62 173.69 2ux0 s GLN 485 N 1.36 4.25 0.34 4.92 -0.21 0.13 -1.39 119.66 129.06 2ux0 s GLN 485 Ca 0.00 0.71 -0.16 0.00 0.02 0.00 0.00 55.36 55.94 2ux0 s GLN 485 Cb -0.15 -3.29 0.03 0.00 1.00 0.00 0.00 33.01 30.60 2ux0 s GLN 485 CO -0.09 0.50 0.72 1.52 -2.12 0.00 0.00 175.29 175.81 2ux0 s TYR 486 N -0.61 0.13 -0.09 0.91 -0.85 -0.57 -1.58 117.35 114.68 2ux0 s TYR 486 Ca 0.30 -0.67 0.01 0.00 -0.52 0.00 0.00 57.07 56.19 2ux0 s TYR 486 Cb -0.19 0.67 -0.02 0.00 0.38 0.00 0.00 41.96 42.80 2ux0 s TYR 486 CO 0.18 -1.39 -0.12 0.42 -1.52 0.00 0.00 175.55 173.12 2ux0 s ILE 487 N -3.01 3.21 0.37 -3.49 1.09 -1.25 -0.70 121.20 117.41 2ux0 s ILE 487 Ca 0.16 -0.64 -0.02 0.00 -1.10 0.00 0.00 60.65 59.05 2ux0 s ILE 487 Cb -0.05 -2.31 -0.04 0.00 -1.06 0.00 0.00 42.46 39.00 2ux0 s ILE 487 CO 0.11 0.56 0.61 1.51 -0.10 0.00 0.00 174.94 177.62 2ux0 s ASP 488 N -0.24 6.32 0.33 3.58 3.84 0.19 -4.93 116.67 125.76 2ux0 s ASP 488 Ca 0.02 0.63 0.11 0.00 -0.00 0.00 0.00 52.55 53.30 2ux0 s ASP 488 Cb -0.13 -2.11 0.97 0.00 -1.38 0.00 0.00 42.92 40.27 2ux0 s ASP 488 CO 0.03 -0.34 1.66 1.23 -0.00 0.00 0.00 175.17 177.75 2ux0 h GLY 489 N 0.84 1.87 0.18 2.12 0.00 -2.00 0.95 103.07 107.03 2ux0 h GLY 489 Ca -0.49 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.66 2ux0 h GLY 489 CO 0.62 -0.45 0.00 0.61 0.00 0.00 0.00 176.54 177.33 2ux0 n GLN 490 N -5.09 0.87 0.00 4.80 10.64 -1.26 -4.91 117.38 122.42 2ux0 n GLN 490 Ca 0.29 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.46 2ux0 n GLN 490 Cb 0.89 -1.09 0.00 0.00 -0.86 0.00 0.00 30.24 29.18 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 0.44 2.92 3.74 2.61 0.00 0.33 -5.06 105.19 110.16 2ux0 n GLY 491 Ca 0.04 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 2ux0 n GLY 491 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ux0 s ARG 492 N 0.00 2.82 0.10 1.61 3.00 -1.26 -4.36 118.95 120.86 2ux0 s ARG 492 Ca 0.00 2.03 -0.15 0.00 0.00 0.00 0.00 55.73 57.61 2ux0 s ARG 492 Cb 0.00 -1.96 -0.07 0.00 0.00 0.00 0.00 34.95 32.92 2ux0 s ARG 492 CO 0.00 -1.38 0.51 -1.25 0.00 0.00 0.00 175.30 173.18 2ux0 s PRO 493 N -3.25 3.98 0.16 3.54 0.04 -1.26 0.56 135.00 138.77 2ux0 s PRO 493 Ca 0.79 0.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.28 2ux0 s PRO 493 Cb -0.36 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 2ux0 s PRO 493 CO 0.39 0.56 0.12 1.03 0.04 0.00 0.00 177.00 179.15 2ux0 s ARG 494 N -1.63 1.05 0.07 4.56 0.52 0.12 -4.94 118.95 118.69 2ux0 s ARG 494 Ca 0.33 -1.44 0.07 0.00 -0.52 0.00 0.00 55.73 54.17 2ux0 s ARG 494 Cb -0.16 0.28 -0.03 0.00 0.52 0.00 0.00 34.95 35.56 2ux0 s ARG 494 CO 0.18 -0.33 -0.20 0.99 0.02 0.00 0.00 175.30 175.96 2ux0 s THR 495 N -4.06 1.60 0.03 0.02 2.01 -1.26 -1.52 115.64 112.46 2ux0 s THR 495 Ca 0.27 -1.31 0.03 0.00 0.31 0.00 0.00 61.69 60.99 2ux0 s THR 495 Cb 0.06 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.13 2ux0 s THR 495 CO 0.04 0.07 -0.10 -0.94 -0.69 0.00 0.00 174.62 173.00 2ux0 s SER 496 N -1.46 1.19 -0.06 3.53 1.04 -0.49 -4.96 113.70 112.49 2ux0 s SER 496 Ca 0.06 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.13 2ux0 s SER 496 Cb -0.09 -0.06 -0.03 0.00 0.10 0.00 0.00 66.02 65.94 2ux0 s SER 496 CO 0.03 -0.01 -0.09 -1.58 0.98 0.00 0.00 173.24 172.56 2ux0 s GLN 497 N -0.95 2.66 0.01 4.02 0.74 -1.26 -1.07 119.66 123.81 2ux0 s GLN 497 Ca -0.01 -0.60 -0.05 0.00 0.05 0.00 0.00 55.36 54.75 2ux0 s GLN 497 Cb -0.07 -2.51 -0.01 0.00 1.10 0.00 0.00 33.01 31.52 2ux0 s GLN 497 CO 0.01 0.65 0.09 -1.54 -0.55 0.00 0.00 175.29 173.94 2ux0 s SER 498 N -0.79 0.11 -0.18 6.67 1.04 -0.28 -4.67 113.70 115.59 2ux0 s SER 498 Ca 0.12 -0.33 -0.05 0.00 0.48 0.00 0.00 55.95 56.16 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 -1.59 3.72 -0.03 4.02 8.01 0.24 -0.49 118.70 132.59 2ux0 s GLU 499 Ca -0.14 -0.48 0.03 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 0.14 -0.10 -1.21 0.01 0.00 0.00 175.26 174.10 2ux0 s GLU 500 N 0.67 1.03 -0.09 1.61 2.02 0.37 -1.20 118.70 123.11 2ux0 s GLU 500 Ca 0.00 -0.34 0.03 0.00 0.02 0.00 0.00 54.97 54.68 2ux0 s GLU 500 Cb -0.14 -0.96 -0.01 0.00 0.10 0.00 0.00 34.13 33.12 2ux0 s GLU 500 CO 0.02 0.13 -0.19 0.99 0.02 0.00 0.00 175.26 176.24 2ux0 s THR 501 N 0.15 2.58 -0.06 3.63 2.01 0.67 -1.01 115.64 123.60 2ux0 s THR 501 Ca -0.03 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.14 2ux0 s THR 501 Cb -0.09 -2.02 0.01 0.00 0.01 0.00 0.00 72.50 70.42 2ux0 s THR 501 CO 0.01 0.55 -0.11 -0.13 -0.69 0.00 0.00 174.62 174.25 2ux0 s ARG 502 N 0.06 1.56 -0.14 4.92 0.52 0.00 -1.08 118.95 124.79 2ux0 s ARG 502 Ca -0.08 -0.36 -0.06 0.00 -0.52 0.00 0.00 55.73 54.71 2ux0 s ARG 502 Cb -0.15 -1.32 -0.04 0.00 0.52 0.00 0.00 34.95 33.96 2ux0 s ARG 502 CO 0.05 0.00 0.07 0.08 0.02 0.00 0.00 175.30 175.52 2ux0 s VAL 503 N 0.73 4.86 -0.02 3.52 1.01 -0.62 -0.89 120.40 128.98 2ux0 s VAL 503 Ca -0.14 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 61.89 2ux0 s VAL 503 Cb -0.15 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 2ux0 s VAL 503 CO 0.03 0.54 -0.24 0.26 0.00 0.00 0.00 175.10 175.69 2ux0 s TRP 504 N -0.29 2.14 -0.07 5.22 0.52 0.12 -1.15 118.94 125.43 2ux0 s TRP 504 Ca 0.09 -0.44 0.00 0.00 0.02 0.00 0.00 56.10 55.77 2ux0 s TRP 504 Cb -0.12 -1.38 0.02 0.00 -1.15 0.00 0.00 33.47 30.84 2ux0 s TRP 504 CO 0.01 -0.06 -0.04 -1.58 0.02 0.00 0.00 176.95 175.30 2ux0 s HIS 505 N -0.49 0.92 -0.34 -1.98 2.46 0.06 -1.73 115.29 114.19 2ux0 s HIS 505 Ca 0.07 -0.32 -0.22 0.00 0.47 0.00 0.00 55.06 55.06 2ux0 s HIS 505 Cb -0.10 -0.86 0.00 0.00 -0.13 0.00 0.00 32.58 31.50 2ux0 s HIS 505 CO -0.00 -0.31 0.70 0.50 -2.47 0.00 0.00 174.74 173.16 2ux0 s ARG 506 N 1.42 3.79 -0.09 2.88 3.52 -0.17 -0.61 118.95 129.69 2ux0 s ARG 506 Ca -0.03 0.26 0.03 0.00 -0.13 0.00 0.00 55.73 55.87 2ux0 s ARG 506 Cb -0.13 -3.78 0.01 0.00 -1.56 0.00 0.00 34.95 29.48 2ux0 s ARG 506 CO -0.03 -0.73 -0.19 0.50 -0.81 0.00 0.00 175.30 174.04 2ux0 s ARG 507 N 2.85 2.48 -1.36 5.12 3.52 -0.56 -4.75 118.95 126.24 2ux0 s ARG 507 Ca 0.28 -0.68 -0.02 0.00 -0.13 0.00 0.00 55.73 55.18 2ux0 s ARG 507 Cb -0.14 -1.93 -0.00 0.00 -1.56 0.00 0.00 34.95 31.32 2ux0 s ARG 507 CO 0.14 0.11 0.50 -0.25 -0.81 0.00 0.00 175.30 174.99 2ux0 n ASP 508 N 3.66 -0.85 0.00 -2.12 8.00 -1.26 -1.97 116.55 122.00 2ux0 n ASP 508 Ca -0.21 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.32 2ux0 n ASP 508 Cb 0.52 -3.26 0.00 0.00 -0.02 0.00 0.00 41.12 38.36 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 -1.88 0.95 3.31 0.44 0.00 -1.26 -4.97 105.19 101.77 2ux0 n GLY 509 Ca -0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.28 3.10 0.01 1.61 0.00 -0.83 -5.10 119.74 118.24 2ux0 s LYS 510 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 55.97 54.88 2ux0 s LYS 510 Cb 0.00 -2.44 -0.05 0.00 0.00 0.00 0.00 37.83 35.35 2ux0 s LYS 510 CO 0.00 0.25 1.24 -1.58 0.00 0.00 0.00 175.35 175.26 2ux0 s TRP 511 N 0.21 3.23 -0.03 1.78 0.52 -1.26 -1.49 118.94 121.90 2ux0 s TRP 511 Ca -0.12 1.17 0.04 0.00 0.02 0.00 0.00 56.10 57.21 2ux0 s TRP 511 Cb -0.16 -3.48 -0.01 0.00 -1.15 0.00 0.00 33.47 28.68 2ux0 s TRP 511 CO 0.06 -1.55 -0.14 -0.51 0.02 0.00 0.00 176.95 174.83 2ux0 s LEU 512 N 1.74 1.94 -0.30 2.99 1.43 0.22 -4.83 118.68 121.86 2ux0 s LEU 512 Ca 0.59 -0.28 -0.27 0.00 -1.03 0.00 0.00 54.13 53.14 2ux0 s LEU 512 Cb -0.28 -0.79 0.01 0.00 0.03 0.00 0.00 46.19 45.15 2ux0 s LEU 512 CO 0.26 0.15 0.96 0.21 0.23 0.00 0.00 176.35 178.16 2ux0 s ASN 513 N -0.11 6.85 -0.07 2.29 3.04 -0.39 -0.76 114.94 125.79 2ux0 s ASN 513 Ca 0.01 0.95 0.19 0.00 0.04 0.00 0.00 52.86 54.04 2ux0 s ASN 513 Cb -0.08 -2.49 -0.28 0.00 -1.54 0.00 0.00 41.25 36.86 2ux0 s ASN 513 CO 0.01 -0.75 0.32 1.33 -3.04 0.00 0.00 177.10 174.97 2ux0 n VAL 514 N 5.66 0.38 -3.86 -5.21 0.24 -0.30 -1.50 118.33 113.74 2ux0 n VAL 514 Ca 0.09 -0.55 -0.11 0.00 -2.04 0.00 0.00 64.34 61.73 2ux0 n VAL 514 Cb 0.47 -0.12 -0.10 0.00 -1.47 0.00 0.00 33.84 32.63 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 -3.08 0.02 -0.11 6.34 5.65 -1.22 -1.96 115.29 120.92 2ux0 s HIS 515 Ca -0.08 -0.11 -0.05 0.00 0.25 0.00 0.00 55.06 55.07 2ux0 s HIS 515 Cb 0.10 -0.04 0.05 0.00 -1.18 0.00 0.00 32.58 31.52 2ux0 s HIS 515 CO 0.80 -0.30 0.26 -0.47 -0.65 0.00 0.00 174.74 174.37 2ux0 s TYR 516 N -1.40 -0.36 -0.13 3.88 5.04 -0.70 -1.59 117.35 122.09 2ux0 s TYR 516 Ca -0.15 0.84 0.00 0.00 -2.44 0.00 0.00 57.07 55.33 2ux0 s TYR 516 Cb -0.07 0.04 0.02 0.00 0.35 0.00 0.00 41.96 42.30 2ux0 s TYR 516 CO 0.02 -0.26 -0.12 -1.58 -1.34 0.00 0.00 175.55 172.26 2ux0 s HIS 517 N 1.50 1.91 -0.07 4.97 5.65 -0.24 -0.87 115.29 128.14 2ux0 s HIS 517 Ca -0.07 -1.01 0.03 0.00 0.25 0.00 0.00 55.06 54.26 2ux0 s HIS 517 Cb -0.11 -1.44 0.01 0.00 -1.18 0.00 0.00 32.58 29.86 2ux0 s HIS 517 CO -0.09 -0.58 -0.16 0.00 -0.65 0.00 0.00 174.74 173.26 2ux0 s SER 519 N 0.47 2.09 0.00 0.00 1.04 -0.34 -4.03 113.70 112.93 2ux0 s SER 519 Ca -0.14 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2ux0 s SER 519 Cb -0.16 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.80 2ux0 s SER 519 CO 0.05 0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.99