#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ux0 n GLU 388 N 0.00 0.60 -0.19 1.09 4.71 -1.26 -3.11 120.64 122.48 2ux0 n GLU 388 Ca 0.00 0.52 -0.09 0.00 -0.01 0.00 0.00 57.16 57.58 2ux0 n GLU 388 Cb 0.00 -1.74 0.01 0.00 -1.01 0.00 0.00 31.44 28.71 2ux0 n GLU 388 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 2ux0 h ASP 389 N -0.83 0.83 -0.38 1.62 5.19 -2.06 -2.54 116.42 118.25 2ux0 h ASP 389 Ca -0.37 -0.26 -0.10 0.00 -0.62 0.00 0.00 57.03 55.69 2ux0 h ASP 389 Cb 1.43 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.70 2ux0 h ASP 389 CO -0.17 0.88 -0.10 -0.33 -3.12 0.00 0.00 179.24 176.39 2ux0 h GLU 390 N 0.75 0.83 -0.32 3.56 3.07 -2.00 -1.50 114.58 118.97 2ux0 h GLU 390 Ca 0.16 -0.28 0.05 0.00 -0.50 0.00 0.00 59.36 58.80 2ux0 h GLU 390 Cb 0.40 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.19 2ux0 h GLU 390 CO 0.01 0.89 0.01 -0.44 -1.40 0.00 0.00 179.01 178.09 2ux0 h ASP 391 N 0.75 -0.10 -0.33 1.42 3.32 -1.48 -2.04 116.42 117.95 2ux0 h ASP 391 Ca 0.13 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 2ux0 h ASP 391 Cb 0.60 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 2ux0 h ASP 391 CO 0.04 -0.02 0.13 0.25 -1.72 0.00 0.00 179.24 177.92 2ux0 h LEU 392 N 0.11 0.47 -0.46 1.55 5.85 -1.13 -2.24 115.31 119.45 2ux0 h LEU 392 Ca 0.15 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.79 2ux0 h LEU 392 Cb 0.20 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.02 2ux0 h LEU 392 CO -0.25 0.52 -0.13 0.50 -0.34 0.00 0.00 178.44 178.74 2ux0 h LYS 393 N 0.39 -0.02 -0.07 1.25 3.64 -1.15 -0.83 116.57 119.78 2ux0 h LYS 393 Ca 0.11 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2ux0 h LYS 393 Cb 0.20 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2ux0 h LYS 393 CO -0.01 -0.01 0.02 0.28 -2.27 0.00 0.00 179.45 177.46 2ux0 h VAL 394 N -0.02 0.98 -0.59 2.00 2.07 -1.08 -0.05 116.25 119.56 2ux0 h VAL 394 Ca 0.22 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 2ux0 h VAL 394 Cb 0.36 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2ux0 h VAL 394 CO -0.48 0.01 0.31 -0.09 0.02 0.00 0.00 177.57 177.33 2ux0 h ARG 395 N 0.06 0.83 -0.53 1.57 9.65 -1.15 0.72 114.38 125.52 2ux0 h ARG 395 Ca 0.03 -0.11 0.05 0.00 -1.10 0.00 0.00 59.98 58.85 2ux0 h ARG 395 Cb 0.01 -0.16 -0.05 0.00 -1.39 0.00 0.00 29.97 28.39 2ux0 h ARG 395 CO -0.03 0.65 0.26 0.87 2.80 0.00 0.00 179.97 184.52 2ux0 h LYS 396 N 0.80 0.48 -0.18 0.20 1.57 -0.87 -1.12 116.57 117.45 2ux0 h LYS 396 Ca 0.20 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 2ux0 h LYS 396 Cb 0.08 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2ux0 h LYS 396 CO -0.03 0.32 -0.21 0.37 -0.57 0.00 0.00 179.45 179.32 2ux0 h GLN 397 N 0.49 0.31 -0.80 3.15 5.75 -0.37 -2.24 115.11 121.41 2ux0 h GLN 397 Ca 0.24 -0.10 0.06 0.00 -0.15 0.00 0.00 58.65 58.71 2ux0 h GLN 397 Cb 0.18 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.64 2ux0 h GLN 397 CO -0.19 0.52 0.48 1.49 -2.65 0.00 0.00 178.83 178.48 2ux0 h GLU 398 N 0.28 0.85 -0.07 1.69 4.81 0.35 0.07 114.58 122.56 2ux0 h GLU 398 Ca 0.05 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 2ux0 h GLU 398 Cb 0.54 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2ux0 h GLU 398 CO 0.04 0.56 -0.65 0.82 -0.73 0.00 0.00 179.01 179.05 2ux0 h ILE 399 N 0.87 1.40 -0.16 2.32 1.08 -0.88 -2.52 117.51 119.62 2ux0 h ILE 399 Ca 0.36 -2.07 -0.05 0.00 -0.39 0.00 0.00 64.86 62.71 2ux0 h ILE 399 Cb 0.20 2.06 -0.00 0.00 -3.07 0.00 0.00 36.82 36.01 2ux0 h ILE 399 CO -0.18 0.61 -0.09 0.40 -0.69 0.00 0.00 178.15 178.20 2ux0 h ILE 400 N 0.19 1.32 -0.31 -0.67 2.04 -0.88 -1.74 117.51 117.45 2ux0 h ILE 400 Ca -0.01 -1.14 0.04 0.00 1.00 0.00 0.00 64.86 64.74 2ux0 h ILE 400 Cb 1.18 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 38.94 2ux0 h ILE 400 CO 0.10 0.34 0.08 0.50 0.00 0.00 0.00 178.15 179.17 2ux0 h LYS 401 N 0.02 0.20 -0.22 2.37 1.63 -0.91 0.45 116.57 120.11 2ux0 h LYS 401 Ca 0.04 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.68 2ux0 h LYS 401 Cb 0.57 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 2ux0 h LYS 401 CO 0.03 0.13 -0.44 0.97 -3.45 0.00 0.00 179.45 176.68 2ux0 h ILE 402 N 0.20 1.31 -0.62 2.00 2.10 -1.45 -0.47 117.51 120.57 2ux0 h ILE 402 Ca 0.14 -1.63 0.02 0.00 1.08 0.00 0.00 64.86 64.47 2ux0 h ILE 402 Cb 0.14 1.62 -0.04 0.00 -1.09 0.00 0.00 36.82 37.45 2ux0 h ILE 402 CO -0.17 0.51 0.39 0.74 -1.08 0.00 0.00 178.15 178.54 2ux0 h THR 403 N 0.45 1.11 -0.83 2.19 2.02 -0.90 -0.66 112.91 116.28 2ux0 h THR 403 Ca 0.03 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2ux0 h THR 403 Cb 0.95 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 2ux0 h THR 403 CO 0.08 0.14 0.47 -0.33 0.37 0.00 0.00 175.52 176.26 2ux0 h GLU 404 N 0.79 1.15 -0.54 6.66 5.08 -0.29 -1.92 114.58 125.50 2ux0 h GLU 404 Ca 0.24 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.37 2ux0 h GLU 404 Cb -0.02 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 2ux0 h GLU 404 CO -0.08 0.83 -0.11 1.96 -1.00 0.00 0.00 179.01 180.61 2ux0 h GLN 405 N 1.16 1.02 -0.40 2.33 4.20 -0.71 -1.30 115.11 121.41 2ux0 h GLN 405 Ca 0.29 -0.37 0.04 0.00 0.06 0.00 0.00 58.65 58.67 2ux0 h GLN 405 Cb 0.01 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 2ux0 h GLN 405 CO -0.05 1.06 0.16 1.25 -0.67 0.00 0.00 178.83 180.58 2ux0 h LEU 406 N 0.91 0.20 -0.77 1.46 5.85 -0.73 -0.71 115.31 121.52 2ux0 h LEU 406 Ca 0.14 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 2ux0 h LEU 406 Cb 0.67 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2ux0 h LEU 406 CO 0.05 0.15 0.02 0.40 -0.34 0.00 0.00 178.44 178.72 2ux0 h ILE 407 N 0.34 1.26 -0.58 4.05 2.04 -1.16 -1.51 117.51 121.94 2ux0 h ILE 407 Ca 0.18 -1.07 0.01 0.00 1.00 0.00 0.00 64.86 64.98 2ux0 h ILE 407 Cb 0.14 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 2ux0 h ILE 407 CO -0.16 0.39 0.38 -0.33 0.00 0.00 0.00 178.15 178.42 2ux0 h GLU 408 N 0.88 0.74 -0.72 2.37 5.08 -0.75 -0.93 114.58 121.25 2ux0 h GLU 408 Ca 0.17 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2ux0 h GLU 408 Cb 0.49 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2ux0 h GLU 408 CO 0.02 0.49 0.46 0.00 -1.00 0.00 0.00 179.01 178.99 2ux0 h ALA 409 N 1.22 0.93 -0.09 3.43 0.00 -0.59 -0.36 119.26 123.80 2ux0 h ALA 409 Ca 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2ux0 h ALA 409 Cb -0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 2ux0 h ALA 409 CO -0.06 0.28 0.03 0.82 0.00 0.00 0.00 179.25 180.32 2ux0 h ILE 410 N 0.92 1.17 -0.77 0.00 2.04 -0.95 0.43 117.51 120.36 2ux0 h ILE 410 Ca 0.28 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 2ux0 h ILE 410 Cb -0.04 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 2ux0 h ILE 410 CO -0.08 0.15 0.42 0.78 0.00 0.00 0.00 178.15 179.42 2ux0 h ASN 411 N -0.05 0.95 1.09 1.72 4.21 -0.86 -1.72 115.58 120.92 2ux0 h ASN 411 Ca 0.03 -0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.46 2ux0 h ASN 411 Cb 0.21 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.17 2ux0 h ASN 411 CO -0.00 0.77 -0.06 0.59 -1.29 0.00 0.00 177.43 177.44 2ux0 n ASN 412 N -4.35 0.28 -1.04 5.81 3.02 -0.17 -4.91 115.26 113.89 2ux0 n ASN 412 Ca 0.08 0.45 -0.09 0.00 -0.03 0.00 0.00 54.58 55.00 2ux0 n ASN 412 Cb 0.10 -0.50 -0.00 0.00 -0.61 0.00 0.00 39.78 38.76 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 1.44 0.04 3.44 7.41 0.00 -0.50 -4.60 105.19 112.42 2ux0 n GLY 413 Ca 0.06 -0.51 -0.44 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.65 6.32 0.28 1.61 3.68 0.02 -4.52 116.67 121.41 2ux0 s ASP 414 Ca 0.02 -1.41 0.14 0.00 2.13 0.00 0.00 52.55 53.44 2ux0 s ASP 414 Cb -0.01 -2.39 0.24 0.00 -1.45 0.00 0.00 42.92 39.31 2ux0 s ASP 414 CO 0.02 -1.26 1.52 0.15 0.13 0.00 0.00 175.17 175.73 2ux0 h PHE 415 N 9.26 0.00 -0.19 -5.34 3.57 -1.94 -1.78 116.94 120.52 2ux0 h PHE 415 Ca -0.15 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.23 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 1.01 0.57 -0.37 0.93 -2.23 0.00 0.00 178.31 178.22 2ux0 h GLU 416 N 0.00 0.58 -0.58 1.11 3.07 -1.97 0.20 114.58 116.99 2ux0 h GLU 416 Ca -0.01 -0.37 -0.00 0.00 -0.50 0.00 0.00 59.36 58.48 2ux0 h GLU 416 Cb 1.28 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 29.21 2ux0 h GLU 416 CO 0.07 0.99 0.35 0.00 -1.40 0.00 0.00 179.01 179.02 2ux0 h ALA 417 N 0.59 0.74 0.09 3.43 0.00 -1.96 -1.81 119.26 120.35 2ux0 h ALA 417 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ux0 h ALA 417 Cb 0.96 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2ux0 h ALA 417 CO 0.08 0.22 -0.10 -0.92 0.00 0.00 0.00 179.25 178.53 2ux0 h TYR 418 N 0.78 -0.26 0.00 0.00 3.20 -1.10 -2.48 116.97 117.11 2ux0 h TYR 418 Ca 0.21 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 2ux0 h TYR 418 Cb -0.01 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2ux0 h TYR 418 CO -0.02 -0.16 -0.22 1.79 -1.64 0.00 0.00 178.16 177.91 2ux0 h THR 419 N -0.22 0.91 0.00 1.81 1.35 -0.46 -1.37 112.91 114.93 2ux0 h THR 419 Ca 0.01 -0.83 -0.12 0.00 -0.55 0.00 0.00 66.41 64.92 2ux0 h THR 419 Cb 0.22 1.48 -0.02 0.00 -1.73 0.00 0.00 68.15 68.10 2ux0 h THR 419 CO -0.04 0.22 -0.55 0.11 -0.25 0.00 0.00 175.52 175.01 2ux0 h LYS 420 N 0.00 0.00 0.00 4.72 6.56 -1.00 -3.24 116.57 123.62 2ux0 h LYS 420 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2ux0 h LYS 420 Cb 0.46 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.12 2ux0 h LYS 420 CO 0.03 0.55 -1.22 -0.89 -2.06 0.00 0.00 179.45 175.86 2ux0 n ILE 421 N -3.82 0.33 -3.85 1.86 5.41 -0.80 -4.90 119.36 113.59 2ux0 n ILE 421 Ca -0.01 -0.43 -0.37 0.00 1.00 0.00 0.00 62.75 62.94 2ux0 n ILE 421 Cb 0.57 -0.08 -0.06 0.00 -0.71 0.00 0.00 39.64 39.36 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 -0.83 6.70 0.61 0.00 2.15 -0.23 -4.80 116.67 120.26 2ux0 s ASP 423 Ca 0.14 2.70 0.31 0.00 0.43 0.00 0.00 52.55 56.14 2ux0 s ASP 423 Cb -0.12 -2.64 1.77 0.00 -0.30 0.00 0.00 42.92 41.63 2ux0 s ASP 423 CO 0.03 -0.62 2.12 -0.65 -0.17 0.00 0.00 175.17 175.88 2ux0 h PRO 424 N 3.99 0.00 -0.67 4.34 0.11 -1.88 -1.28 132.00 136.60 2ux0 h PRO 424 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 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 0.70 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.90 2ux0 n GLY 425 N -1.33 2.36 3.64 -0.55 0.00 -1.26 -4.77 105.19 103.28 2ux0 n GLY 425 Ca 0.00 -0.64 -0.48 0.00 0.00 0.00 0.00 46.02 44.90 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 0.56 2.53 -4.70 0.99 7.94 -0.49 -4.91 117.00 118.93 2ux0 n LEU 426 Ca 0.19 1.10 -0.28 0.00 -1.11 0.00 0.00 56.01 55.91 2ux0 n LEU 426 Cb 0.84 -1.34 -0.07 0.00 0.53 0.00 0.00 43.42 43.38 2ux0 n LEU 426 CO 0.21 -0.58 -0.31 0.42 -1.11 0.00 0.00 177.39 176.02 2ux0 s THR 427 N 0.73 4.01 -0.05 1.96 -4.23 -0.81 -0.87 115.64 116.38 2ux0 s THR 427 Ca 0.81 -1.16 -0.03 0.00 -1.18 0.00 0.00 61.69 60.13 2ux0 s THR 427 Cb -0.78 -2.97 0.03 0.00 1.34 0.00 0.00 72.50 70.11 2ux0 s THR 427 CO 0.41 -0.01 0.11 -0.55 -0.54 0.00 0.00 174.62 174.05 2ux0 s SER 428 N -2.69 -0.08 -0.20 3.99 0.15 -0.05 -2.01 113.70 112.81 2ux0 s SER 428 Ca 0.27 0.23 -0.08 0.00 0.70 0.00 0.00 55.95 57.07 2ux0 s SER 428 Cb -0.11 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 2ux0 s SER 428 CO 0.19 -0.10 0.08 -0.36 1.20 0.00 0.00 173.24 174.25 2ux0 s PHE 429 N 0.75 3.24 -0.01 3.44 2.99 -0.01 -1.58 117.98 126.80 2ux0 s PHE 429 Ca -0.06 0.04 -0.28 0.00 0.00 0.00 0.00 56.93 56.63 2ux0 s PHE 429 Cb -0.08 -2.14 0.09 0.00 0.00 0.00 0.00 43.02 40.90 2ux0 s PHE 429 CO -0.03 0.07 0.81 -1.83 -0.00 0.00 0.00 175.22 174.24 2ux0 s GLU 430 N 0.67 0.91 0.35 0.44 -1.05 -1.26 -0.90 118.70 117.86 2ux0 s GLU 430 Ca 0.04 -0.14 0.11 0.00 -0.15 0.00 0.00 54.97 54.83 2ux0 s GLU 430 Cb -0.13 0.42 0.89 0.00 -0.44 0.00 0.00 34.13 34.87 2ux0 s GLU 430 CO 0.01 -0.36 1.79 -1.35 0.95 0.00 0.00 175.26 176.31 2ux0 h PRO 431 N 2.29 0.60 0.00 -4.83 0.11 -1.91 0.13 132.00 128.39 2ux0 h PRO 431 Ca -0.25 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2ux0 h PRO 431 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2ux0 h PRO 431 CO 0.34 0.39 0.00 0.39 -0.21 0.00 0.00 178.00 178.91 2ux0 n GLU 432 N -4.69 0.21 0.00 1.05 -0.58 -1.26 -2.35 120.64 113.03 2ux0 n GLU 432 Ca 0.23 0.32 0.14 0.00 -0.42 0.00 0.00 57.16 57.43 2ux0 n GLU 432 Cb 0.66 -1.83 0.54 0.00 -0.57 0.00 0.00 31.44 30.24 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 -1.77 2.78 -3.70 0.62 0.00 0.45 -4.98 120.51 113.92 2ux0 n ALA 433 Ca 0.04 -0.37 -0.24 0.00 0.00 0.00 0.00 53.44 52.87 2ux0 n ALA 433 Cb 0.31 -1.23 0.05 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.45 -3.17 0.00 0.00 4.77 -0.99 -2.12 117.00 115.03 2ux0 n LEU 434 Ca 0.16 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 2ux0 n LEU 434 Cb 0.31 -2.81 0.00 0.00 -2.33 0.00 0.00 43.42 38.60 2ux0 n LEU 434 CO 0.21 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 2ux0 n GLY 435 N -1.65 0.85 3.94 -0.72 0.00 -1.26 -5.03 105.19 101.32 2ux0 n GLY 435 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.86 6.35 -0.19 1.61 0.01 -0.90 -5.07 114.94 113.89 2ux0 s ASN 436 Ca 0.00 0.24 -0.18 0.00 -0.71 0.00 0.00 52.86 52.21 2ux0 s ASN 436 Cb 0.00 -1.94 -0.04 0.00 0.41 0.00 0.00 41.25 39.68 2ux0 s ASN 436 CO 0.00 0.05 0.48 -0.22 -1.51 0.00 0.00 177.10 175.90 2ux0 s LEU 437 N -3.13 4.16 0.12 0.60 2.96 -1.26 -4.51 118.68 117.62 2ux0 s LEU 437 Ca 0.35 0.64 0.10 0.00 -0.22 0.00 0.00 54.13 55.00 2ux0 s LEU 437 Cb -0.11 -2.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 2ux0 s LEU 437 CO 0.28 -0.13 -0.21 0.68 -1.32 0.00 0.00 176.35 175.65 2ux0 s VAL 438 N 1.44 2.62 -0.55 1.68 -7.23 -0.62 -4.92 120.40 112.82 2ux0 s VAL 438 Ca 0.23 -1.61 -0.28 0.00 -1.81 0.00 0.00 61.98 58.51 2ux0 s VAL 438 Cb -0.15 -2.19 0.01 0.00 0.56 0.00 0.00 36.38 34.61 2ux0 s VAL 438 CO 0.09 0.09 1.51 -1.83 -0.31 0.00 0.00 175.10 174.65 2ux0 s GLU 439 N -2.12 3.22 0.57 4.82 -1.05 -1.26 -0.87 118.70 122.01 2ux0 s GLU 439 Ca 0.17 0.57 0.28 0.00 -0.15 0.00 0.00 54.97 55.83 2ux0 s GLU 439 Cb -0.10 -4.16 1.48 0.00 -0.44 0.00 0.00 34.13 30.91 2ux0 s GLU 439 CO 0.09 -2.03 1.94 0.78 0.95 0.00 0.00 175.26 176.99 2ux0 h GLY 440 N 13.57 0.00 1.43 -3.83 0.00 -1.30 -2.92 103.07 110.01 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 1.17 0.00 -0.80 -0.33 0.00 0.00 0.00 176.54 176.57 2ux0 h MET 441 N 0.00 0.55 -0.00 4.80 2.86 -1.86 -1.27 114.93 120.00 2ux0 h MET 441 Ca 0.23 -0.48 -0.17 0.00 -2.06 0.00 0.00 59.70 57.22 2ux0 h MET 441 Cb 1.12 0.11 0.01 0.00 0.06 0.00 0.00 31.60 32.90 2ux0 h MET 441 CO -0.00 1.11 -0.65 0.22 1.06 0.00 0.00 176.91 178.65 2ux0 h ASP 442 N 0.36 0.58 0.07 1.22 3.58 -1.91 -3.22 116.42 117.10 2ux0 h ASP 442 Ca -0.05 -0.75 -0.10 0.00 0.42 0.00 0.00 57.03 56.55 2ux0 h ASP 442 Cb 1.41 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.27 2ux0 h ASP 442 CO 0.15 1.26 -0.31 0.15 -2.88 0.00 0.00 179.24 177.61 2ux0 h PHE 443 N -0.04 0.41 0.00 0.28 3.04 -1.56 -2.91 116.94 116.16 2ux0 h PHE 443 Ca -0.08 -0.09 -0.00 0.00 3.98 0.00 0.00 57.97 61.77 2ux0 h PHE 443 Cb 1.35 -0.10 -0.00 0.00 2.56 0.00 0.00 35.95 39.76 2ux0 h PHE 443 CO 0.14 0.64 -0.10 0.45 -2.02 0.00 0.00 178.31 177.42 2ux0 h HIS 444 N 0.32 0.00 -0.97 0.41 3.86 -1.35 -3.29 115.15 114.12 2ux0 h HIS 444 Ca 0.04 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.44 2ux0 h HIS 444 Cb 0.71 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.09 2ux0 h HIS 444 CO 0.02 0.02 0.61 -0.22 0.86 0.00 0.00 177.93 179.22 2ux0 h LYS 445 N 0.00 0.63 -0.54 2.45 3.11 -1.52 -1.92 116.57 118.78 2ux0 h LYS 445 Ca -0.00 -0.04 -0.05 0.00 -2.81 0.00 0.00 60.65 57.75 2ux0 h LYS 445 Cb 1.01 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 32.08 2ux0 h LYS 445 CO 0.00 0.42 0.14 0.35 -2.81 0.00 0.00 179.45 177.55 2ux0 h PHE 446 N 0.65 0.84 0.00 1.91 3.57 -1.74 -0.15 116.94 122.02 2ux0 h PHE 446 Ca 0.53 -0.07 -0.11 0.00 3.53 0.00 0.00 57.97 61.85 2ux0 h PHE 446 Cb 0.97 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 2ux0 h PHE 446 CO -0.00 0.70 -0.54 1.88 -2.23 0.00 0.00 178.31 178.12 2ux0 h TYR 447 N 0.79 0.00 0.01 0.41 -1.99 -1.58 -1.49 116.97 113.12 2ux0 h TYR 447 Ca 0.18 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.85 2ux0 h TYR 447 Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.02 2ux0 h TYR 447 CO 0.02 0.54 -0.21 0.74 -0.00 0.00 0.00 178.16 179.24 2ux0 h PHE 448 N 0.00 0.20 -0.36 4.88 -1.00 -1.25 -0.38 116.94 119.04 2ux0 h PHE 448 Ca -0.01 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 60.65 2ux0 h PHE 448 Cb 1.16 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.68 2ux0 h PHE 448 CO 0.00 0.94 0.17 0.93 -1.61 0.00 0.00 178.31 178.74 2ux0 h GLU 449 N -0.60 0.49 0.00 1.51 5.08 -1.00 -3.26 114.58 116.80 2ux0 h GLU 449 Ca -0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2ux0 h GLU 449 Cb 1.01 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2ux0 h GLU 449 CO 0.04 0.39 -0.01 0.09 -1.00 0.00 0.00 179.01 178.52 2ux0 n ASN 450 N -4.42 1.79 0.09 1.42 3.02 -0.57 -4.86 115.26 111.74 2ux0 n ASN 450 Ca 0.02 -2.01 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 2ux0 n ASN 450 Cb 0.12 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 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 -0.54 -1.45 -0.04 3.41 7.94 -0.90 -4.93 117.00 120.48 2ux0 n LEU 451 Ca 0.02 0.35 -0.03 0.00 -1.11 0.00 0.00 56.01 55.24 2ux0 n LEU 451 Cb 0.33 1.59 0.20 0.00 0.53 0.00 0.00 43.42 46.07 2ux0 n LEU 451 CO 0.00 -0.26 0.84 -0.07 -1.11 0.00 0.00 177.39 176.79 2ux0 h LEU 452 N 0.00 0.61 0.12 -1.96 3.38 -1.25 -2.95 115.31 113.26 2ux0 h LEU 452 Ca 0.00 -0.16 -0.28 0.00 0.09 0.00 0.00 57.88 57.53 2ux0 h LEU 452 Cb 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2ux0 h LEU 452 CO 0.00 0.74 -1.31 0.77 0.09 0.00 0.00 178.44 178.73 2ux0 h SER 453 N 0.58 0.41 -0.11 -0.43 4.64 -1.79 -3.35 113.55 113.50 2ux0 h SER 453 Ca 0.11 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2ux0 h SER 453 Cb 0.51 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2ux0 h SER 453 CO 0.03 1.37 0.00 0.29 -0.87 0.00 0.00 176.83 177.65 2ux0 n LYS 454 N -3.51 1.45 -3.85 4.77 4.01 -1.13 -4.87 118.16 115.05 2ux0 n LYS 454 Ca -0.10 -0.49 -0.36 0.00 -0.51 0.00 0.00 58.31 56.85 2ux0 n LYS 454 Cb 1.03 -1.33 -0.13 0.00 -0.51 0.00 0.00 35.03 34.08 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 -0.62 4.65 0.00 4.39 2.47 -1.13 -4.97 114.94 119.72 2ux0 s ASN 455 Ca 0.09 -0.41 0.24 0.00 0.42 0.00 0.00 52.86 53.20 2ux0 s ASN 455 Cb 0.06 -1.81 0.45 0.00 -1.45 0.00 0.00 41.25 38.50 2ux0 s ASN 455 CO 0.04 -0.05 1.40 -1.20 -3.72 0.00 0.00 177.10 173.58 2ux0 n SER 456 N 4.84 2.73 -4.75 -4.21 7.64 -1.26 -5.00 113.62 113.61 2ux0 n SER 456 Ca -0.17 -1.89 -0.40 0.00 1.01 0.00 0.00 58.87 57.42 2ux0 n SER 456 Cb 0.50 -0.07 -0.05 0.00 -1.01 0.00 0.00 64.21 63.59 2ux0 n SER 456 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2ux0 s LYS 457 N -1.87 4.63 0.49 1.43 1.02 -1.26 -5.00 119.74 119.17 2ux0 s LYS 457 Ca 0.33 1.27 -0.23 0.00 0.02 0.00 0.00 55.97 57.36 2ux0 s LYS 457 Cb 0.21 -3.33 -0.07 0.00 -0.52 0.00 0.00 37.83 34.12 2ux0 s LYS 457 CO 0.31 0.36 1.26 -2.14 -0.92 0.00 0.00 175.35 174.22 2ux0 s PRO 458 N -0.45 3.55 -0.14 -1.68 0.02 -1.26 -4.99 135.00 130.05 2ux0 s PRO 458 Ca 0.41 2.01 -0.09 0.00 0.02 0.00 0.00 61.00 63.35 2ux0 s PRO 458 Cb -0.23 -2.40 0.05 0.00 0.02 0.00 0.00 34.50 31.94 2ux0 s PRO 458 CO 0.27 -0.79 0.34 0.96 -0.33 0.00 0.00 177.00 177.45 2ux0 s ILE 459 N -1.41 -0.02 -0.22 2.83 -4.36 -1.26 -4.01 121.20 112.75 2ux0 s ILE 459 Ca 0.66 0.08 -0.03 0.00 -0.26 0.00 0.00 60.65 61.09 2ux0 s ILE 459 Cb -0.34 -0.50 -0.00 0.00 1.25 0.00 0.00 42.46 42.86 2ux0 s ILE 459 CO 0.42 0.03 -0.06 -2.28 0.24 0.00 0.00 174.94 173.29 2ux0 s HIS 460 N 0.94 2.95 -0.09 1.37 2.46 -0.59 -4.97 115.29 117.35 2ux0 s HIS 460 Ca -0.06 -1.04 -0.14 0.00 0.47 0.00 0.00 55.06 54.29 2ux0 s HIS 460 Cb -0.07 -2.09 -0.05 0.00 -0.13 0.00 0.00 32.58 30.25 2ux0 s HIS 460 CO -0.07 -0.59 0.34 0.99 -2.47 0.00 0.00 174.74 172.94 2ux0 s THR 461 N 1.45 5.22 -0.09 0.89 2.01 -1.26 -0.88 115.64 122.98 2ux0 s THR 461 Ca 0.05 0.66 0.04 0.00 0.31 0.00 0.00 61.69 62.75 2ux0 s THR 461 Cb -0.14 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.72 2ux0 s THR 461 CO -0.04 0.48 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.27 2ux0 s THR 462 N -0.30 1.85 -0.29 -0.82 2.01 0.72 -5.00 115.64 113.81 2ux0 s THR 462 Ca 0.20 -0.89 -0.09 0.00 0.31 0.00 0.00 61.69 61.22 2ux0 s THR 462 Cb -0.14 -1.61 -0.01 0.00 0.01 0.00 0.00 72.50 70.74 2ux0 s THR 462 CO 0.08 0.51 0.14 -0.63 -0.69 0.00 0.00 174.62 174.03 2ux0 s ILE 463 N 0.44 4.58 -0.12 1.82 1.01 -1.26 -1.30 121.20 126.37 2ux0 s ILE 463 Ca -0.17 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 2ux0 s ILE 463 Cb -0.17 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 2ux0 s ILE 463 CO 0.07 0.14 -0.02 -0.76 0.00 0.00 0.00 174.94 174.37 2ux0 s LEU 464 N 1.62 3.42 -1.35 2.97 1.43 0.63 -4.74 118.68 122.67 2ux0 s LEU 464 Ca 0.05 0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2ux0 s LEU 464 Cb -0.17 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.25 2ux0 s LEU 464 CO 0.06 0.28 0.57 0.59 0.23 0.00 0.00 176.35 178.07 2ux0 n ASN 465 N 2.82 -0.75 -4.74 2.29 5.03 -1.26 -2.16 115.26 116.49 2ux0 n ASN 465 Ca -0.18 -0.91 -0.36 0.00 0.87 0.00 0.00 54.58 54.01 2ux0 n ASN 465 Cb 0.53 -3.59 0.05 0.00 -1.02 0.00 0.00 39.78 35.75 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 -6.24 2.74 -0.03 3.52 0.04 -1.26 -4.68 135.00 129.09 2ux0 s PRO 466 Ca 0.00 1.87 -0.00 0.00 0.04 0.00 0.00 61.00 62.91 2ux0 s PRO 466 Cb -0.00 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.67 2ux0 s PRO 466 CO 0.85 -1.40 0.02 -1.58 0.04 0.00 0.00 177.00 174.93 2ux0 s HIS 467 N -1.61 0.21 -0.12 0.56 2.46 -0.13 -5.00 115.29 111.65 2ux0 s HIS 467 Ca 0.78 0.07 0.00 0.00 0.47 0.00 0.00 55.06 56.39 2ux0 s HIS 467 Cb -0.32 -0.40 -0.01 0.00 -0.13 0.00 0.00 32.58 31.71 2ux0 s HIS 467 CO 0.37 -0.14 -0.14 0.08 -2.47 0.00 0.00 174.74 172.43 2ux0 s VAL 468 N 1.32 2.97 -0.30 0.89 1.01 -1.26 -1.23 120.40 123.80 2ux0 s VAL 468 Ca -0.06 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 2ux0 s VAL 468 Cb -0.13 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 2ux0 s VAL 468 CO -0.03 0.53 0.15 -1.00 0.00 0.00 0.00 175.10 174.75 2ux0 s HIS 469 N 0.32 3.17 -0.28 5.22 3.76 0.33 -4.98 115.29 122.83 2ux0 s HIS 469 Ca -0.11 -0.48 -0.22 0.00 -0.15 0.00 0.00 55.06 54.10 2ux0 s HIS 469 Cb -0.16 -2.35 -0.01 0.00 1.11 0.00 0.00 32.58 31.18 2ux0 s HIS 469 CO 0.06 -0.41 0.71 0.08 -0.85 0.00 0.00 174.74 174.32 2ux0 s VAL 470 N 1.63 4.89 -0.62 -0.90 1.01 -1.26 -1.35 120.40 123.81 2ux0 s VAL 470 Ca 0.05 1.15 0.03 0.00 0.00 0.00 0.00 61.98 63.21 2ux0 s VAL 470 Cb -0.17 -4.04 0.38 0.00 0.00 0.00 0.00 36.38 32.55 2ux0 s VAL 470 CO 0.06 -0.11 1.39 -0.38 0.00 0.00 0.00 175.10 176.07 2ux0 n ILE 471 N 5.35 3.14 0.00 2.22 5.41 -0.27 -4.99 119.36 130.21 2ux0 n ILE 471 Ca 0.02 -4.97 0.00 0.00 1.00 0.00 0.00 62.75 58.80 2ux0 n ILE 471 Cb 0.48 -1.31 0.00 0.00 -0.71 0.00 0.00 39.64 38.11 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 -0.42 0.52 0.37 7.39 0.00 -1.25 -4.21 105.19 107.59 2ux0 n GLY 472 Ca 0.42 -1.99 0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 0.56 -0.05 1.61 4.39 -2.04 -3.14 114.58 115.92 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 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 2ux0 h GLU 473 CO 0.00 0.37 0.00 -0.25 -1.16 0.00 0.00 179.01 177.97 2ux0 n ASP 474 N -4.51 1.80 -4.00 1.42 8.00 -1.26 -4.96 116.55 113.04 2ux0 n ASP 474 Ca 0.15 -1.61 -0.17 0.00 0.71 0.00 0.00 54.79 53.87 2ux0 n ASP 474 Cb 0.44 -0.03 -0.14 0.00 -0.02 0.00 0.00 41.12 41.37 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 -0.66 0.59 0.33 2.24 0.00 -1.19 -0.67 121.76 122.40 2ux0 s ALA 475 Ca 0.05 -0.38 -0.08 0.00 0.00 0.00 0.00 51.96 51.55 2ux0 s ALA 475 Cb 0.03 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.04 2ux0 s ALA 475 CO 0.04 0.12 0.55 0.00 0.00 0.00 0.00 175.76 176.47 2ux0 s ALA 476 N -0.36 0.21 -0.25 0.00 0.00 -0.83 -1.12 121.76 119.41 2ux0 s ALA 476 Ca 0.01 -1.21 -0.14 0.00 0.00 0.00 0.00 51.96 50.62 2ux0 s ALA 476 Cb -0.04 1.03 0.08 0.00 0.00 0.00 0.00 23.12 24.18 2ux0 s ALA 476 CO -0.00 -0.85 0.61 0.00 0.00 0.00 0.00 175.76 175.52 2ux0 s ILE 478 N 1.64 1.90 -0.10 0.00 2.07 0.01 -0.52 121.20 126.21 2ux0 s ILE 478 Ca -0.10 -0.95 0.04 0.00 -1.41 0.00 0.00 60.65 58.23 2ux0 s ILE 478 Cb -0.06 -1.64 -0.00 0.00 0.13 0.00 0.00 42.46 40.89 2ux0 s ILE 478 CO -0.18 0.53 -0.23 0.00 -1.91 0.00 0.00 174.94 173.15 2ux0 s ALA 479 N 0.15 2.21 0.12 1.50 0.00 -0.36 -0.81 121.76 124.57 2ux0 s ALA 479 Ca -0.11 -0.97 -0.15 0.00 0.00 0.00 0.00 51.96 50.72 2ux0 s ALA 479 Cb -0.16 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.16 2ux0 s ALA 479 CO 0.06 0.30 0.38 1.52 0.00 0.00 0.00 175.76 178.02 2ux0 s TYR 480 N 0.30 -0.17 -0.13 0.00 -0.85 -0.33 -0.95 117.35 115.21 2ux0 s TYR 480 Ca -0.17 -0.15 -0.11 0.00 -0.52 0.00 0.00 57.07 56.11 2ux0 s TYR 480 Cb -0.17 0.23 -0.05 0.00 0.38 0.00 0.00 41.96 42.35 2ux0 s TYR 480 CO 0.08 -0.68 0.24 0.42 -1.52 0.00 0.00 175.55 174.09 2ux0 s ILE 481 N -3.79 5.33 -0.22 -3.49 1.01 -0.92 -0.60 121.20 118.53 2ux0 s ILE 481 Ca 0.03 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.13 2ux0 s ILE 481 Cb 0.02 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.96 2ux0 s ILE 481 CO -0.12 0.49 -0.12 -0.60 0.00 0.00 0.00 174.94 174.59 2ux0 s ARG 482 N -0.20 2.81 -0.19 2.79 3.52 0.19 -0.27 118.95 127.60 2ux0 s ARG 482 Ca 0.16 -0.97 -0.11 0.00 -0.13 0.00 0.00 55.73 54.67 2ux0 s ARG 482 Cb -0.13 -2.81 -0.05 0.00 -1.56 0.00 0.00 34.95 30.40 2ux0 s ARG 482 CO 0.04 -0.35 0.19 -0.51 -0.81 0.00 0.00 175.30 173.87 2ux0 s LEU 483 N 1.28 4.21 -0.20 -0.88 1.43 -0.42 -1.08 118.68 123.02 2ux0 s LEU 483 Ca 0.01 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 2ux0 s LEU 483 Cb -0.16 -2.19 0.04 0.00 0.03 0.00 0.00 46.19 43.91 2ux0 s LEU 483 CO -0.08 0.14 -0.15 -0.89 0.23 0.00 0.00 176.35 175.61 2ux0 s THR 484 N 0.45 1.91 0.03 5.49 2.01 -0.38 -0.20 115.64 124.96 2ux0 s THR 484 Ca 0.11 -1.07 -0.21 0.00 0.31 0.00 0.00 61.69 60.83 2ux0 s THR 484 Cb -0.12 -1.87 -0.06 0.00 0.01 0.00 0.00 72.50 70.47 2ux0 s THR 484 CO 0.00 0.30 0.60 -1.10 -0.69 0.00 0.00 174.62 173.74 2ux0 s GLN 485 N 1.30 4.30 0.32 4.92 -0.21 -0.06 -1.41 119.66 128.82 2ux0 s GLN 485 Ca 0.00 0.77 -0.15 0.00 0.02 0.00 0.00 55.36 56.01 2ux0 s GLN 485 Cb -0.15 -3.30 0.02 0.00 1.00 0.00 0.00 33.01 30.58 2ux0 s GLN 485 CO -0.10 0.47 0.66 1.52 -2.12 0.00 0.00 175.29 175.73 2ux0 s TYR 486 N -0.57 0.21 -0.07 0.91 -0.85 -0.47 -1.54 117.35 114.97 2ux0 s TYR 486 Ca 0.31 -0.69 0.03 0.00 -0.52 0.00 0.00 57.07 56.20 2ux0 s TYR 486 Cb -0.19 0.53 -0.02 0.00 0.38 0.00 0.00 41.96 42.66 2ux0 s TYR 486 CO 0.19 -1.29 -0.16 0.42 -1.52 0.00 0.00 175.55 173.19 2ux0 s ILE 487 N -3.27 2.85 0.62 -3.49 -1.09 -1.26 -0.57 121.20 114.99 2ux0 s ILE 487 Ca 0.18 -0.78 0.07 0.00 -2.23 0.00 0.00 60.65 57.89 2ux0 s ILE 487 Cb -0.04 -2.13 0.10 0.00 -1.58 0.00 0.00 42.46 38.82 2ux0 s ILE 487 CO 0.11 0.57 0.86 1.51 -1.23 0.00 0.00 174.94 176.75 2ux0 s ASP 488 N -0.32 4.87 0.13 3.58 3.84 0.13 -4.97 116.67 123.92 2ux0 s ASP 488 Ca 0.02 -0.76 -0.28 0.00 -0.00 0.00 0.00 52.55 51.54 2ux0 s ASP 488 Cb -0.13 0.28 -0.05 0.00 -1.38 0.00 0.00 42.92 41.64 2ux0 s ASP 488 CO 0.02 -1.51 1.59 1.23 -0.00 0.00 0.00 175.17 176.51 2ux0 h GLY 489 N -0.03 -0.62 -2.90 2.12 0.00 -2.00 -2.99 103.07 96.64 2ux0 h GLY 489 Ca -0.31 0.46 -0.12 0.00 0.00 0.00 0.00 47.33 47.36 2ux0 h GLY 489 CO 0.40 -0.23 0.16 0.61 0.00 0.00 0.00 176.54 177.48 2ux0 n GLN 490 N -5.43 1.31 0.00 4.80 10.64 -1.26 -4.80 117.38 122.63 2ux0 n GLN 490 Ca -0.04 -0.64 0.00 0.00 -1.83 0.00 0.00 57.00 54.49 2ux0 n GLN 490 Cb 0.35 -1.25 0.00 0.00 -0.86 0.00 0.00 30.24 28.48 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 0.69 2.34 3.86 2.61 0.00 -1.13 -5.03 105.19 108.53 2ux0 n GLY 491 Ca 0.12 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 3.79 0.08 1.61 3.03 -1.26 -4.44 118.95 121.75 2ux0 s ARG 492 Ca 0.00 0.82 -0.12 0.00 2.03 0.00 0.00 55.73 58.46 2ux0 s ARG 492 Cb 0.00 -2.13 -0.06 0.00 -1.03 0.00 0.00 34.95 31.73 2ux0 s ARG 492 CO 0.00 -0.38 0.43 -1.25 -1.13 0.00 0.00 175.30 172.98 2ux0 s PRO 493 N -4.53 3.84 0.17 3.89 0.04 -1.26 0.22 135.00 137.37 2ux0 s PRO 493 Ca 0.57 0.29 -0.03 0.00 0.04 0.00 0.00 61.00 61.87 2ux0 s PRO 493 Cb -0.10 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 2ux0 s PRO 493 CO 0.41 0.57 0.14 1.03 0.04 0.00 0.00 177.00 179.19 2ux0 s ARG 494 N -1.74 1.11 0.07 4.56 0.52 0.26 -4.95 118.95 118.78 2ux0 s ARG 494 Ca 0.32 -1.47 0.08 0.00 -0.52 0.00 0.00 55.73 54.14 2ux0 s ARG 494 Cb -0.15 0.29 -0.03 0.00 0.52 0.00 0.00 34.95 35.58 2ux0 s ARG 494 CO 0.17 -0.36 -0.22 0.99 0.02 0.00 0.00 175.30 175.91 2ux0 s THR 495 N -4.08 1.79 0.03 0.02 2.01 -1.26 -1.37 115.64 112.77 2ux0 s THR 495 Ca 0.29 -1.40 0.04 0.00 0.31 0.00 0.00 61.69 60.93 2ux0 s THR 495 Cb 0.06 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 2ux0 s THR 495 CO 0.06 0.11 -0.12 -0.94 -0.69 0.00 0.00 174.62 173.04 2ux0 s SER 496 N -1.53 1.41 -0.05 3.53 1.04 -0.50 -4.97 113.70 112.64 2ux0 s SER 496 Ca 0.08 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.14 2ux0 s SER 496 Cb -0.09 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 2ux0 s SER 496 CO 0.03 0.03 -0.06 -1.58 0.98 0.00 0.00 173.24 172.64 2ux0 s GLN 497 N -0.93 2.71 0.02 4.02 0.74 -1.26 -1.24 119.66 123.72 2ux0 s GLN 497 Ca 0.01 -0.59 -0.02 0.00 0.05 0.00 0.00 55.36 54.81 2ux0 s GLN 497 Cb -0.07 -2.58 -0.02 0.00 1.10 0.00 0.00 33.01 31.45 2ux0 s GLN 497 CO 0.01 0.65 0.01 -1.54 -0.55 0.00 0.00 175.29 173.87 2ux0 s SER 498 N -0.99 0.23 -0.14 6.67 1.04 -0.24 -4.69 113.70 115.58 2ux0 s SER 498 Ca 0.14 -0.53 -0.03 0.00 0.48 0.00 0.00 55.95 56.00 2ux0 s SER 498 Cb -0.11 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 2ux0 s SER 498 CO 0.03 -0.38 -0.03 -1.61 0.98 0.00 0.00 173.24 172.23 2ux0 s GLU 499 N -1.96 3.54 -0.03 4.02 8.01 0.05 -0.64 118.70 131.69 2ux0 s GLU 499 Ca -0.11 -0.50 0.02 0.00 0.01 0.00 0.00 54.97 54.39 2ux0 s GLU 499 Cb -0.06 -2.89 0.01 0.00 -4.31 0.00 0.00 34.13 26.88 2ux0 s GLU 499 CO -0.02 0.32 -0.08 -1.21 0.01 0.00 0.00 175.26 174.28 2ux0 s GLU 500 N 0.14 0.93 -0.10 1.61 2.02 0.23 -0.96 118.70 122.57 2ux0 s GLU 500 Ca -0.01 -0.25 0.03 0.00 0.02 0.00 0.00 54.97 54.76 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 0.03 0.05 -0.19 0.99 0.02 0.00 0.00 175.26 176.16 2ux0 s THR 501 N 0.39 2.55 -0.06 3.63 2.01 0.63 -1.19 115.64 123.60 2ux0 s THR 501 Ca -0.06 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.11 2ux0 s THR 501 Cb -0.10 -2.01 0.01 0.00 0.01 0.00 0.00 72.50 70.40 2ux0 s THR 501 CO 0.01 0.55 -0.14 -0.13 -0.69 0.00 0.00 174.62 174.22 2ux0 s ARG 502 N 0.19 1.77 -0.15 4.92 0.52 0.01 -1.21 118.95 125.00 2ux0 s ARG 502 Ca -0.11 -0.48 -0.05 0.00 -0.52 0.00 0.00 55.73 54.57 2ux0 s ARG 502 Cb -0.16 -1.47 -0.04 0.00 0.52 0.00 0.00 34.95 33.81 2ux0 s ARG 502 CO 0.06 0.09 0.03 0.08 0.02 0.00 0.00 175.30 175.58 2ux0 s VAL 503 N 0.49 4.56 0.00 3.52 1.01 -0.40 -0.81 120.40 128.77 2ux0 s VAL 503 Ca -0.12 -0.13 0.07 0.00 0.00 0.00 0.00 61.98 61.80 2ux0 s VAL 503 Cb -0.15 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 2ux0 s VAL 503 CO 0.04 0.51 -0.22 0.26 0.00 0.00 0.00 175.10 175.69 2ux0 s TRP 504 N -0.04 2.44 -0.06 5.22 0.52 -0.33 -0.89 118.94 125.80 2ux0 s TRP 504 Ca 0.05 -0.35 -0.00 0.00 0.02 0.00 0.00 56.10 55.82 2ux0 s TRP 504 Cb -0.12 -1.49 0.03 0.00 -1.15 0.00 0.00 33.47 30.74 2ux0 s TRP 504 CO 0.01 0.10 -0.01 -1.58 0.02 0.00 0.00 176.95 175.50 2ux0 s HIS 505 N -0.75 0.65 -0.31 -1.98 2.46 0.09 -1.97 115.29 113.48 2ux0 s HIS 505 Ca 0.12 -0.16 -0.24 0.00 0.47 0.00 0.00 55.06 55.25 2ux0 s HIS 505 Cb -0.10 -0.72 0.00 0.00 -0.13 0.00 0.00 32.58 31.63 2ux0 s HIS 505 CO 0.01 -0.27 0.80 0.50 -2.47 0.00 0.00 174.74 173.32 2ux0 s ARG 506 N 1.56 3.96 -0.11 2.88 3.52 0.15 -0.69 118.95 130.23 2ux0 s ARG 506 Ca -0.01 0.60 0.02 0.00 -0.13 0.00 0.00 55.73 56.21 2ux0 s ARG 506 Cb -0.13 -3.73 0.01 0.00 -1.56 0.00 0.00 34.95 29.54 2ux0 s ARG 506 CO -0.03 -0.70 -0.18 -0.98 -0.81 0.00 0.00 175.30 172.60 2ux0 s ARG 507 N 3.00 2.44 -1.36 5.12 1.04 -0.57 -4.78 118.95 123.84 2ux0 s ARG 507 Ca 0.33 -0.65 -0.06 0.00 -1.04 0.00 0.00 55.73 54.31 2ux0 s ARG 507 Cb -0.14 -1.99 0.00 0.00 -2.04 0.00 0.00 34.95 30.78 2ux0 s ARG 507 CO 0.13 0.01 0.47 -0.25 -0.04 0.00 0.00 175.30 175.62 2ux0 n ASP 508 N 3.98 -1.32 0.00 -2.89 8.00 -1.26 -2.18 116.55 120.88 2ux0 n ASP 508 Ca -0.20 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.26 2ux0 n ASP 508 Cb 0.52 -2.95 0.00 0.00 -0.02 0.00 0.00 41.12 38.67 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 -1.97 1.13 3.34 0.44 0.00 -1.26 -4.99 105.19 101.88 2ux0 n GLY 509 Ca -0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.21 3.18 0.07 1.61 0.00 -0.93 -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 -2.51 -0.06 0.00 0.00 0.00 0.00 37.83 35.26 2ux0 s LYS 510 CO 0.00 0.26 1.16 -1.58 0.00 0.00 0.00 175.35 175.19 2ux0 s TRP 511 N 0.21 3.48 -0.02 1.78 0.52 -1.26 -1.51 118.94 122.13 2ux0 s TRP 511 Ca -0.10 1.38 0.04 0.00 0.02 0.00 0.00 56.10 57.44 2ux0 s TRP 511 Cb -0.16 -3.37 -0.01 0.00 -1.15 0.00 0.00 33.47 28.78 2ux0 s TRP 511 CO 0.06 -1.06 -0.15 -0.51 0.02 0.00 0.00 176.95 175.30 2ux0 s LEU 512 N 0.89 1.97 -0.23 2.99 1.43 0.13 -4.83 118.68 121.04 2ux0 s LEU 512 Ca 0.57 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 53.09 2ux0 s LEU 512 Cb -0.29 -0.83 0.01 0.00 0.03 0.00 0.00 46.19 45.11 2ux0 s LEU 512 CO 0.30 0.17 1.02 0.21 0.23 0.00 0.00 176.35 178.28 2ux0 s ASN 513 N -0.20 7.08 -0.15 2.29 3.04 -0.36 -0.73 114.94 125.91 2ux0 s ASN 513 Ca 0.02 1.35 0.18 0.00 0.04 0.00 0.00 52.86 54.46 2ux0 s ASN 513 Cb -0.08 -2.53 -0.26 0.00 -1.54 0.00 0.00 41.25 36.84 2ux0 s ASN 513 CO 0.00 -0.65 0.17 1.33 -3.04 0.00 0.00 177.10 174.92 2ux0 n VAL 514 N 5.28 0.98 -3.84 -5.21 0.24 -0.07 -1.06 118.33 114.66 2ux0 n VAL 514 Ca 0.11 -0.74 -0.12 0.00 -2.04 0.00 0.00 64.34 61.56 2ux0 n VAL 514 Cb 0.46 -0.35 -0.09 0.00 -1.47 0.00 0.00 33.84 32.39 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 -2.74 -0.02 -0.10 6.34 5.65 -1.21 -1.93 115.29 121.28 2ux0 s HIS 515 Ca -0.09 -0.02 -0.04 0.00 0.25 0.00 0.00 55.06 55.16 2ux0 s HIS 515 Cb 0.08 -0.00 0.05 0.00 -1.18 0.00 0.00 32.58 31.52 2ux0 s HIS 515 CO 0.82 -0.32 0.22 -0.47 -0.65 0.00 0.00 174.74 174.34 2ux0 s TYR 516 N -1.37 -0.30 -0.10 3.88 5.04 -0.85 -1.28 117.35 122.37 2ux0 s TYR 516 Ca -0.14 0.75 0.01 0.00 -2.44 0.00 0.00 57.07 55.25 2ux0 s TYR 516 Cb -0.07 -0.03 0.02 0.00 0.35 0.00 0.00 41.96 42.23 2ux0 s TYR 516 CO 0.02 -0.25 -0.13 -1.58 -1.34 0.00 0.00 175.55 172.27 2ux0 s HIS 517 N 1.63 1.78 -0.08 4.97 5.65 -0.35 -0.83 115.29 128.06 2ux0 s HIS 517 Ca -0.05 -0.83 0.02 0.00 0.25 0.00 0.00 55.06 54.45 2ux0 s HIS 517 Cb -0.11 -1.32 0.01 0.00 -1.18 0.00 0.00 32.58 29.98 2ux0 s HIS 517 CO -0.08 -0.45 -0.15 0.00 -0.65 0.00 0.00 174.74 173.41 2ux0 s SER 519 N 0.69 2.47 0.00 0.00 1.04 -0.14 -4.08 113.70 113.69 2ux0 s SER 519 Ca -0.13 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.77 2ux0 s SER 519 Cb -0.16 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.76 2ux0 s SER 519 CO 0.03 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.02