#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpq n LYS 451 N 0.00 0.67 0.06 0.03 3.00 -1.26 -3.63 118.16 117.03 2wpq n LYS 451 Ca 0.00 0.12 -0.23 0.00 -0.00 0.00 0.00 58.31 58.21 2wpq n LYS 451 Cb 0.00 -1.55 -0.15 0.00 0.00 0.00 0.00 35.03 33.33 2wpq n LYS 451 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 2wpq h GLN 452 N 0.01 0.38 -0.39 1.64 4.15 -2.04 -2.34 115.11 116.51 2wpq h GLN 452 Ca -0.54 -0.65 -0.00 0.00 0.77 0.00 0.00 58.65 58.22 2wpq h GLN 452 Cb 2.01 0.24 -0.02 0.00 0.21 0.00 0.00 27.48 29.92 2wpq h GLN 452 CO -0.03 1.31 0.23 0.82 -1.93 0.00 0.00 178.83 179.22 2wpq h ILE 453 N 0.07 1.14 -0.04 2.39 2.04 -1.99 0.31 117.51 121.43 2wpq h ILE 453 Ca -0.35 -0.33 -0.15 0.00 1.00 0.00 0.00 64.86 65.04 2wpq h ILE 453 Cb 2.07 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 2wpq h ILE 453 CO 0.16 0.14 -0.64 -0.33 0.00 0.00 0.00 178.15 177.49 2wpq h GLU 454 N 0.51 0.17 -0.69 2.37 4.39 -1.71 0.66 114.58 120.27 2wpq h GLU 454 Ca 0.14 -0.12 0.08 0.00 0.34 0.00 0.00 59.36 59.80 2wpq h GLU 454 Cb 0.02 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.63 2wpq h GLU 454 CO -0.02 0.75 0.35 0.22 -1.16 0.00 0.00 179.01 179.14 2wpq h ASP 455 N 0.12 0.48 -0.23 1.42 3.58 -1.14 -0.86 116.42 119.79 2wpq h ASP 455 Ca -0.01 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.47 2wpq h ASP 455 Cb 1.15 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.16 2wpq h ASP 455 CO 0.09 0.28 0.04 0.50 -2.88 0.00 0.00 179.24 177.28 2wpq h LYS 456 N 0.62 0.37 -0.46 0.28 1.63 0.34 -1.54 116.57 117.81 2wpq h LYS 456 Ca 0.33 -0.10 -0.04 0.00 -0.85 0.00 0.00 60.65 60.00 2wpq h LYS 456 Cb 0.32 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.88 2wpq h LYS 456 CO -0.25 0.50 0.12 0.82 -3.45 0.00 0.00 179.45 177.20 2wpq h ILE 457 N 0.18 1.20 -0.65 2.00 2.04 -0.73 0.09 117.51 121.64 2wpq h ILE 457 Ca 0.07 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 2wpq h ILE 457 Cb 0.31 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 2wpq h ILE 457 CO 0.00 0.26 0.28 -0.33 0.00 0.00 0.00 178.15 178.36 2wpq h GLU 458 N 0.67 0.96 -0.38 2.37 5.08 -0.87 -0.25 114.58 122.16 2wpq h GLU 458 Ca 0.15 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2wpq h GLU 458 Cb 0.24 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2wpq h GLU 458 CO -0.00 0.79 0.10 1.49 -1.00 0.00 0.00 179.01 180.39 2wpq h GLU 459 N 0.91 0.61 0.27 2.33 4.81 -0.74 -1.80 114.58 120.97 2wpq h GLU 459 Ca 0.22 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2wpq h GLU 459 Cb 0.18 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 2wpq h GLU 459 CO -0.02 0.64 -0.15 0.82 -0.73 0.00 0.00 179.01 179.56 2wpq h ILE 460 N 0.47 0.68 -0.68 2.32 2.04 -0.70 -0.82 117.51 120.83 2wpq h ILE 460 Ca 0.12 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.95 2wpq h ILE 460 Cb 0.30 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 2wpq h ILE 460 CO 0.00 0.00 0.31 -0.07 0.00 0.00 0.00 178.15 178.39 2wpq h LEU 461 N -0.40 0.88 -0.54 1.44 3.38 -1.07 0.82 115.31 119.83 2wpq h LEU 461 Ca -0.03 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 2wpq h LEU 461 Cb 0.32 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2wpq h LEU 461 CO 0.04 0.76 -0.43 0.77 0.09 0.00 0.00 178.44 179.66 2wpq h SER 462 N 0.96 0.75 -0.48 -0.43 4.64 -1.18 -1.52 113.55 116.29 2wpq h SER 462 Ca 0.23 -0.35 -0.07 0.00 -0.47 0.00 0.00 61.79 61.13 2wpq h SER 462 Cb 0.13 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 2wpq h SER 462 CO -0.03 1.07 0.01 0.11 -0.87 0.00 0.00 176.83 177.13 2wpq h LYS 463 N 0.56 0.85 -0.71 4.77 1.57 -0.80 -2.09 116.57 120.72 2wpq h LYS 463 Ca 0.04 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.59 2wpq h LYS 463 Cb 0.98 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.16 2wpq h LYS 463 CO 0.09 0.88 0.44 0.82 -0.57 0.00 0.00 179.45 181.12 2wpq h ILE 464 N 0.70 1.09 -0.52 1.86 2.04 -0.72 -0.10 117.51 121.87 2wpq h ILE 464 Ca 0.14 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 2wpq h ILE 464 Cb 0.50 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2wpq h ILE 464 CO 0.02 0.16 0.03 0.22 0.00 0.00 0.00 178.15 178.58 2wpq h TYR 465 N 0.86 0.96 -0.52 1.37 3.20 -1.19 0.17 116.97 121.82 2wpq h TYR 465 Ca 0.29 -0.15 0.02 0.00 3.14 0.00 0.00 58.73 62.03 2wpq h TYR 465 Cb 0.03 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.01 2wpq h TYR 465 CO -0.04 0.88 0.31 1.25 -1.64 0.00 0.00 178.16 178.92 2wpq h HIS 466 N 0.76 0.58 -0.39 -3.82 2.76 -1.09 -2.05 115.15 111.91 2wpq h HIS 466 Ca 0.15 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.35 2wpq h HIS 466 Cb 0.48 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.22 2wpq h HIS 466 CO 0.04 0.33 0.23 0.82 -1.30 0.00 0.00 177.93 178.05 2wpq h ILE 467 N 0.62 1.04 -0.70 6.26 2.04 -0.59 -0.78 117.51 125.41 2wpq h ILE 467 Ca 0.21 -0.16 0.12 0.00 1.00 0.00 0.00 64.86 66.03 2wpq h ILE 467 Cb 0.02 0.54 -0.08 0.00 -0.74 0.00 0.00 36.82 36.55 2wpq h ILE 467 CO -0.09 0.08 0.27 -0.33 0.00 0.00 0.00 178.15 178.08 2wpq h GLU 468 N 0.46 0.43 -0.44 2.37 5.08 -0.82 0.79 114.58 122.46 2wpq h GLU 468 Ca 0.15 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2wpq h GLU 468 Cb 0.01 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2wpq h GLU 468 CO -0.07 0.28 0.24 -0.91 -1.00 0.00 0.00 179.01 177.55 2wpq h ASN 469 N 0.44 0.55 -0.24 1.42 2.35 -0.74 -1.72 115.58 117.64 2wpq h ASN 469 Ca 0.37 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 56.00 2wpq h ASN 469 Cb 0.51 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 2wpq h ASN 469 CO -0.36 0.48 0.07 -0.33 -1.65 0.00 0.00 177.43 175.65 2wpq h GLU 470 N 0.58 0.47 -0.35 0.81 4.39 -0.47 0.12 114.58 120.13 2wpq h GLU 470 Ca 0.16 -0.07 -0.14 0.00 0.34 0.00 0.00 59.36 59.64 2wpq h GLU 470 Cb 0.05 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2wpq h GLU 470 CO -0.02 0.44 -0.34 0.82 -1.16 0.00 0.00 179.01 178.74 2wpq h ILE 471 N 0.46 1.28 -0.40 3.13 2.04 -0.55 0.15 117.51 123.62 2wpq h ILE 471 Ca 0.11 -1.51 -0.01 0.00 1.00 0.00 0.00 64.86 64.45 2wpq h ILE 471 Cb 0.19 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2wpq h ILE 471 CO -0.00 0.50 0.22 0.00 0.00 0.00 0.00 178.15 178.87 2wpq h ALA 472 N 0.75 0.51 -0.73 1.87 0.00 -0.46 -0.26 119.26 120.94 2wpq h ALA 472 Ca 0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2wpq h ALA 472 Cb 0.93 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2wpq h ALA 472 CO 0.09 0.03 0.31 0.00 0.00 0.00 0.00 179.25 179.67 2wpq h ARG 473 N 0.51 1.08 -0.40 0.00 3.08 -0.62 -2.70 114.38 115.32 2wpq h ARG 473 Ca 0.14 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2wpq h ARG 473 Cb 0.05 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 2wpq h ARG 473 CO -0.02 0.87 0.13 0.82 -1.07 0.00 0.00 179.97 180.70 2wpq h ILE 474 N 1.06 1.21 -0.92 2.04 2.04 -0.30 -1.26 117.51 121.39 2wpq h ILE 474 Ca 0.25 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.45 2wpq h ILE 474 Cb 0.18 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 2wpq h ILE 474 CO -0.02 0.24 0.60 0.11 0.00 0.00 0.00 178.15 179.08 2wpq h LYS 475 N 0.51 1.14 -0.24 2.37 1.57 -0.92 -0.58 116.57 120.42 2wpq h LYS 475 Ca 0.13 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2wpq h LYS 475 Cb 0.24 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2wpq h LYS 475 CO -0.01 0.75 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.38 2wpq h LYS 476 N 1.17 0.44 -0.66 3.15 1.63 -1.19 -1.17 116.57 119.95 2wpq h LYS 476 Ca 0.36 -0.15 0.11 0.00 -0.85 0.00 0.00 60.65 60.11 2wpq h LYS 476 Cb -0.03 -0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 31.49 2wpq h LYS 476 CO -0.10 0.64 0.26 -0.07 -3.45 0.00 0.00 179.45 176.73 2wpq h LEU 477 N 0.19 0.26 -0.42 5.20 3.38 -0.65 0.50 115.31 123.78 2wpq h LEU 477 Ca 0.06 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2wpq h LEU 477 Cb 0.46 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2wpq h LEU 477 CO 0.02 0.14 0.14 0.40 0.09 0.00 0.00 178.44 179.23 2wpq h ILE 478 N 0.44 1.21 0.18 1.22 2.04 -0.99 0.69 117.51 122.30 2wpq h ILE 478 Ca 0.34 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2wpq h ILE 478 Cb 0.44 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2wpq h ILE 478 CO -0.33 0.25 -0.17 0.15 0.00 0.00 0.00 178.15 178.05 2wpq h PHE 479 N 0.53 -0.43 -0.82 1.37 3.57 -0.73 -0.82 116.94 119.62 2wpq h PHE 479 Ca 0.14 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.69 2wpq h PHE 479 Cb 0.24 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 2wpq h PHE 479 CO 0.01 -0.25 0.54 -0.44 -2.23 0.00 0.00 178.31 175.93 2wpq h ASP 480 N -0.37 0.83 -0.27 0.41 3.32 -0.73 -1.05 116.42 118.56 2wpq h ASP 480 Ca -0.00 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2wpq h ASP 480 Cb 0.34 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2wpq h ASP 480 CO -0.03 0.55 0.10 0.74 -1.72 0.00 0.00 179.24 178.88 2wpq h THR 481 N 0.95 1.18 0.00 0.35 2.02 -0.64 -2.94 112.91 113.83 2wpq h THR 481 Ca 0.34 -0.55 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 2wpq h THR 481 Cb 0.14 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2wpq h THR 481 CO -0.11 0.19 -0.29 0.78 0.37 0.00 0.00 175.52 176.45 2wpq h ASN 482 N 0.27 0.00 -0.53 4.18 2.35 -0.35 -0.05 115.58 121.46 2wpq h ASN 482 Ca 0.09 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 2wpq h ASN 482 Cb 0.19 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 2wpq h ASN 482 CO -0.01 0.29 0.30 -0.33 -1.65 0.00 0.00 177.43 176.03 2wpq h GLU 483 N 0.00 0.73 -0.54 0.81 5.08 -1.17 0.55 114.58 120.03 2wpq h GLU 483 Ca -0.00 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 2wpq h GLU 483 Cb 0.58 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2wpq h GLU 483 CO 0.04 0.55 0.05 0.87 -1.00 0.00 0.00 179.01 179.53 2wpq h LYS 484 N 0.70 0.92 -0.34 2.33 1.57 -1.13 -0.68 116.57 119.95 2wpq h LYS 484 Ca 0.19 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 2wpq h LYS 484 Cb 0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2wpq h LYS 484 CO -0.03 0.91 0.01 0.28 -0.57 0.00 0.00 179.45 180.05 2wpq h VAL 485 N 0.81 1.25 -0.31 0.50 2.07 -0.96 -0.70 116.25 118.91 2wpq h VAL 485 Ca 0.16 -0.94 -0.08 0.00 0.82 0.00 0.00 66.70 66.67 2wpq h VAL 485 Cb 0.46 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2wpq h VAL 485 CO 0.02 0.31 -0.13 0.44 0.02 0.00 0.00 177.57 178.23 2wpq h ASP 486 N 0.41 0.52 -0.14 0.57 3.32 -0.84 -0.75 116.42 119.50 2wpq h ASP 486 Ca 0.10 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 2wpq h ASP 486 Cb 0.43 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2wpq h ASP 486 CO 0.01 0.68 -0.22 -0.61 -1.72 0.00 0.00 179.24 177.39 2wpq h GLN 487 N 0.49 0.57 -0.46 3.56 5.75 -0.87 -1.85 115.11 122.31 2wpq h GLN 487 Ca 0.09 -0.21 -0.11 0.00 -0.15 0.00 0.00 58.65 58.27 2wpq h GLN 487 Cb 0.52 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 2wpq h GLN 487 CO 0.03 0.75 -0.15 -0.91 -2.65 0.00 0.00 178.83 175.91 2wpq h ASN 488 N 0.51 0.92 -0.61 -0.69 2.35 -0.68 -1.61 115.58 115.77 2wpq h ASN 488 Ca 0.08 -0.38 -0.04 0.00 -0.55 0.00 0.00 56.30 55.41 2wpq h ASN 488 Cb 0.66 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 2wpq h ASN 488 CO 0.05 1.09 0.21 0.74 -1.65 0.00 0.00 177.43 177.87 2wpq h THR 489 N 0.75 1.24 0.09 2.81 2.02 -1.02 0.11 112.91 118.90 2wpq h THR 489 Ca 0.11 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.51 2wpq h THR 489 Cb 0.71 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 2wpq h THR 489 CO 0.05 0.30 -0.07 0.00 0.37 0.00 0.00 175.52 176.17 2wpq h ALA 490 N 1.07 -0.15 -0.78 6.16 0.00 -1.26 -0.48 119.26 123.82 2wpq h ALA 490 Ca 0.20 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2wpq h ALA 490 Cb 0.25 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2wpq h ALA 490 CO -0.01 -0.59 0.52 -0.44 0.00 0.00 0.00 179.25 178.72 2wpq h ASP 491 N -0.17 0.89 -0.68 0.00 3.32 -1.08 -1.57 116.42 117.13 2wpq h ASP 491 Ca -0.00 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2wpq h ASP 491 Cb 0.16 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 2wpq h ASP 491 CO -0.01 0.64 0.39 0.40 -1.72 0.00 0.00 179.24 178.94 2wpq h ILE 492 N 1.05 1.20 -0.33 0.35 2.04 -0.62 -0.41 117.51 120.80 2wpq h ILE 492 Ca 0.29 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.67 2wpq h ILE 492 Cb -0.12 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 2wpq h ILE 492 CO -0.06 0.22 0.21 0.74 0.00 0.00 0.00 178.15 179.25 2wpq h THR 493 N 0.92 1.07 0.30 -0.27 2.02 -0.57 0.15 112.91 116.53 2wpq h THR 493 Ca 0.24 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.28 2wpq h THR 493 Cb 0.01 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 2wpq h THR 493 CO -0.04 0.08 -0.40 0.74 0.37 0.00 0.00 175.52 176.27 2wpq h THR 494 N 0.43 0.20 -0.92 3.16 2.02 -1.00 -1.94 112.91 114.86 2wpq h THR 494 Ca 0.12 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.44 2wpq h THR 494 Cb -0.03 0.20 -0.07 0.00 -1.74 0.00 0.00 68.15 66.50 2wpq h THR 494 CO -0.04 0.00 0.59 0.78 0.37 0.00 0.00 175.52 177.22 2wpq h ASN 495 N -0.75 0.75 -0.66 4.18 2.35 -0.77 -0.94 115.58 119.75 2wpq h ASN 495 Ca -0.01 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2wpq h ASN 495 Cb 0.70 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.93 2wpq h ASN 495 CO -0.13 0.39 0.31 0.74 -1.65 0.00 0.00 177.43 177.10 2wpq h THR 496 N 0.80 1.22 -0.49 2.81 2.02 -0.27 0.44 112.91 119.43 2wpq h THR 496 Ca 0.46 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 2wpq h THR 496 Cb 0.62 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 2wpq h THR 496 CO -0.22 0.26 0.15 0.78 0.37 0.00 0.00 175.52 176.86 2wpq h ASN 497 N 0.91 0.72 -0.60 4.18 2.35 -0.45 -1.64 115.58 121.04 2wpq h ASN 497 Ca 0.23 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 2wpq h ASN 497 Cb 0.12 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 2wpq h ASN 497 CO -0.03 0.74 0.21 0.28 -1.65 0.00 0.00 177.43 176.98 2wpq h SER 498 N 0.67 0.86 -0.30 5.81 0.02 -0.93 -1.54 113.55 118.14 2wpq h SER 498 Ca 0.16 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2wpq h SER 498 Cb 0.28 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2wpq h SER 498 CO -0.00 0.82 0.16 0.40 -1.14 0.00 0.00 176.83 177.07 2wpq h ILE 499 N 0.85 1.13 -0.11 3.27 2.04 -0.81 0.61 117.51 124.48 2wpq h ILE 499 Ca 0.20 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.76 2wpq h ILE 499 Cb 0.25 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 2wpq h ILE 499 CO -0.01 0.13 -0.16 0.78 0.00 0.00 0.00 178.15 178.89 2wpq h ASN 500 N 0.36 -0.48 -0.55 1.72 2.35 -1.14 0.35 115.58 118.19 2wpq h ASN 500 Ca 0.10 0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.96 2wpq h ASN 500 Cb 0.06 0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 2wpq h ASN 500 CO -0.02 -0.20 0.34 -0.61 -1.65 0.00 0.00 177.43 175.29 2wpq h GLN 501 N -0.20 0.67 -0.79 0.81 5.75 -1.13 -1.87 115.11 118.34 2wpq h GLN 501 Ca 0.09 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.50 2wpq h GLN 501 Cb 0.33 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 2wpq h GLN 501 CO -0.23 0.44 0.30 -0.91 -2.65 0.00 0.00 178.83 175.78 2wpq h ASN 502 N 0.69 1.10 -0.75 -0.69 2.35 -0.27 -0.04 115.58 117.96 2wpq h ASN 502 Ca 0.22 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2wpq h ASN 502 Cb -0.01 -0.29 -0.04 0.00 0.05 0.00 0.00 38.32 38.04 2wpq h ASN 502 CO -0.08 0.99 0.40 0.74 -1.65 0.00 0.00 177.43 177.82 2wpq h THR 503 N 1.15 1.23 -0.23 2.81 2.02 0.05 0.63 112.91 120.58 2wpq h THR 503 Ca 0.26 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 2wpq h THR 503 Cb 0.24 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 2wpq h THR 503 CO -0.02 0.26 0.11 0.74 0.37 0.00 0.00 175.52 176.98 2wpq h THR 504 N 1.05 1.14 -0.52 3.16 2.02 -0.95 -1.46 112.91 117.36 2wpq h THR 504 Ca 0.26 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 2wpq h THR 504 Cb 0.06 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 2wpq h THR 504 CO -0.04 0.14 0.18 0.44 0.37 0.00 0.00 175.52 176.61 2wpq h ASP 505 N 0.24 0.69 -0.20 4.18 3.32 -0.59 -1.70 116.42 122.35 2wpq h ASP 505 Ca 0.08 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2wpq h ASP 505 Cb 0.13 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2wpq h ASP 505 CO -0.01 0.64 0.03 0.40 -1.72 0.00 0.00 179.24 178.59 2wpq h ILE 506 N 0.74 1.22 -0.35 0.35 2.04 -0.79 -1.14 117.51 119.58 2wpq h ILE 506 Ca 0.18 -0.74 0.06 0.00 1.00 0.00 0.00 64.86 65.36 2wpq h ILE 506 Cb 0.19 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 2wpq h ILE 506 CO -0.01 0.23 0.04 0.00 0.00 0.00 0.00 178.15 178.41 2wpq h ALA 507 N 0.84 0.35 -0.23 1.87 0.00 -0.89 0.14 119.26 121.33 2wpq h ALA 507 Ca 0.06 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2wpq h ALA 507 Cb 0.31 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2wpq h ALA 507 CO 0.00 -0.36 0.07 1.15 0.00 0.00 0.00 179.25 180.11 2wpq h THR 508 N 0.15 0.93 -0.88 0.00 2.02 -1.31 -1.26 112.91 112.56 2wpq h THR 508 Ca 0.17 -0.06 0.04 0.00 0.77 0.00 0.00 66.41 67.32 2wpq h THR 508 Cb 0.21 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 2wpq h THR 508 CO -0.25 0.03 0.57 0.78 0.37 0.00 0.00 175.52 177.02 2wpq h ASN 509 N 0.17 0.94 -0.39 4.18 2.35 -0.58 -1.09 115.58 121.16 2wpq h ASN 509 Ca 0.10 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 2wpq h ASN 509 Cb 0.08 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2wpq h ASN 509 CO -0.11 0.64 0.09 0.74 -1.65 0.00 0.00 177.43 177.14 2wpq h THR 510 N 1.10 1.23 -0.21 2.81 2.02 -0.36 -0.44 112.91 119.06 2wpq h THR 510 Ca 0.35 -0.79 0.03 0.00 0.77 0.00 0.00 66.41 66.77 2wpq h THR 510 Cb 0.02 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 2wpq h THR 510 CO -0.12 0.27 0.04 0.74 0.37 0.00 0.00 175.52 176.82 2wpq h THR 511 N 0.48 0.90 -0.51 3.16 2.02 -1.02 -1.91 112.91 116.03 2wpq h THR 511 Ca 0.12 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 2wpq h THR 511 Cb 0.32 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 2wpq h THR 511 CO 0.00 0.02 0.27 0.78 0.37 0.00 0.00 175.52 176.97 2wpq h ASN 512 N 0.12 0.64 -0.24 4.18 2.35 -0.98 -0.39 115.58 121.26 2wpq h ASN 512 Ca 0.09 -0.10 0.05 0.00 -0.55 0.00 0.00 56.30 55.79 2wpq h ASN 512 Cb 0.09 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.25 2wpq h ASN 512 CO -0.13 0.56 -0.08 0.40 -1.65 0.00 0.00 177.43 176.54 2wpq h ILE 513 N 0.68 0.72 -0.67 2.81 2.04 -0.96 0.31 117.51 122.44 2wpq h ILE 513 Ca 0.18 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.13 2wpq h ILE 513 Cb 0.07 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 2wpq h ILE 513 CO -0.03 0.00 0.32 0.78 0.00 0.00 0.00 178.15 179.22 2wpq h ASN 514 N -0.02 0.39 -0.40 1.72 2.35 -1.08 0.18 115.58 118.72 2wpq h ASN 514 Ca 0.12 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2wpq h ASN 514 Cb 0.21 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 2wpq h ASN 514 CO -0.26 0.23 0.24 0.78 -1.65 0.00 0.00 177.43 176.76 2wpq h ASN 515 N 0.54 0.48 -0.11 5.81 2.35 0.18 -1.62 115.58 123.21 2wpq h ASN 515 Ca 0.33 -0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.95 2wpq h ASN 515 Cb 0.36 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 2wpq h ASN 515 CO -0.27 0.40 -0.16 -0.07 -1.65 0.00 0.00 177.43 175.67 2wpq h LEU 516 N 0.52 0.48 -0.21 1.61 3.38 0.21 -1.97 115.31 119.33 2wpq h LEU 516 Ca 0.14 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2wpq h LEU 516 Cb 0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2wpq h LEU 516 CO -0.03 0.66 0.06 -1.28 0.09 0.00 0.00 178.44 177.95 2wpq h SER 517 N 0.45 0.31 -0.29 -0.43 0.87 -0.30 0.13 113.55 114.29 2wpq h SER 517 Ca 0.08 -0.21 0.06 0.00 -1.23 0.00 0.00 61.79 60.49 2wpq h SER 517 Cb 0.54 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.37 2wpq h SER 517 CO 0.03 0.43 -0.05 -0.78 -0.53 0.00 0.00 176.83 175.94 2wpq h ASP 518 N 0.17 -0.23 -0.31 6.23 1.82 -1.12 -1.62 116.42 121.36 2wpq h ASP 518 Ca 0.07 0.08 0.01 0.00 -0.39 0.00 0.00 57.03 56.80 2wpq h ASP 518 Cb 0.24 0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.39 2wpq h ASP 518 CO -0.00 -0.08 0.18 0.28 -1.61 0.00 0.00 179.24 178.01 2wpq h SER 519 N 0.02 0.28 -0.70 2.28 0.02 -1.16 -2.25 113.55 112.05 2wpq h SER 519 Ca 0.14 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.16 2wpq h SER 519 Cb 0.21 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 2wpq h SER 519 CO -0.28 0.20 0.39 -0.03 -1.14 0.00 0.00 176.83 175.97 2wpq h MET 520 N 0.36 0.68 -0.36 3.45 1.85 -0.49 0.58 114.93 121.01 2wpq h MET 520 Ca 0.12 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.17 2wpq h MET 520 Cb 0.01 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 31.87 2wpq h MET 520 CO -0.07 0.45 0.21 -0.22 -0.40 0.00 0.00 176.91 176.89 2wpq h LYS 521 N 0.70 0.48 -0.73 0.39 3.11 -1.00 0.20 116.57 119.72 2wpq h LYS 521 Ca 0.32 -0.05 0.02 0.00 -2.81 0.00 0.00 60.65 58.13 2wpq h LYS 521 Cb 0.22 -0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 31.31 2wpq h LYS 521 CO -0.20 0.37 0.48 1.96 -2.81 0.00 0.00 179.45 179.26 2wpq h GLN 522 N 0.46 0.93 0.45 1.90 1.08 -0.82 -0.17 115.11 118.94 2wpq h GLN 522 Ca 0.13 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 2wpq h GLN 522 Cb 0.02 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.24 2wpq h GLN 522 CO -0.02 0.62 -0.21 0.82 -0.95 0.00 0.00 178.83 179.08 2wpq h ILE 523 N 0.96 0.56 -0.79 2.54 2.04 -0.48 -1.46 117.51 120.88 2wpq h ILE 523 Ca 0.28 -0.08 0.13 0.00 1.00 0.00 0.00 64.86 66.19 2wpq h ILE 523 Cb -0.07 0.60 -0.09 0.00 -0.74 0.00 0.00 36.82 36.53 2wpq h ILE 523 CO -0.08 0.02 0.39 -0.33 0.00 0.00 0.00 178.15 178.15 2wpq h GLU 524 N -0.65 0.57 -0.18 2.37 5.08 -0.37 -0.52 114.58 120.88 2wpq h GLU 524 Ca -0.06 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2wpq h GLU 524 Cb 0.48 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 2wpq h GLU 524 CO 0.10 0.38 -0.17 -0.44 -1.00 0.00 0.00 179.01 177.88 2wpq h ASP 525 N 0.59 -0.54 -0.54 1.42 3.32 -0.82 -1.27 116.42 118.59 2wpq h ASP 525 Ca 0.42 0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.50 2wpq h ASP 525 Cb 0.56 0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 2wpq h ASP 525 CO -0.34 -0.21 0.05 0.50 -1.72 0.00 0.00 179.24 177.52 2wpq h LYS 526 N -0.19 0.95 -0.52 3.56 1.63 -0.31 -2.15 116.57 119.55 2wpq h LYS 526 Ca 0.11 -0.25 -0.08 0.00 -0.85 0.00 0.00 60.65 59.58 2wpq h LYS 526 Cb 0.36 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 2wpq h LYS 526 CO -0.29 0.91 0.01 0.82 -3.45 0.00 0.00 179.45 177.45 2wpq h ILE 527 N 0.89 1.25 -0.54 2.00 2.04 -0.81 0.89 117.51 123.23 2wpq h ILE 527 Ca 0.17 -1.02 -0.06 0.00 1.00 0.00 0.00 64.86 64.95 2wpq h ILE 527 Cb 0.45 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2wpq h ILE 527 CO 0.02 0.37 0.10 -0.33 0.00 0.00 0.00 178.15 178.30 2wpq h GLU 528 N 0.80 0.88 -0.67 2.37 5.08 -0.98 -0.41 114.58 121.65 2wpq h GLU 528 Ca 0.16 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2wpq h GLU 528 Cb 0.46 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2wpq h GLU 528 CO 0.02 0.86 0.43 0.93 -1.00 0.00 0.00 179.01 180.24 2wpq h GLU 529 N 0.77 0.90 0.01 2.33 5.08 -0.87 -1.23 114.58 121.58 2wpq h GLU 529 Ca 0.16 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2wpq h GLU 529 Cb 0.39 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2wpq h GLU 529 CO 0.01 0.62 -0.01 0.82 -1.00 0.00 0.00 179.01 179.45 2wpq h ILE 530 N 0.92 1.10 -0.85 3.13 2.04 -0.62 0.74 117.51 123.97 2wpq h ILE 530 Ca 0.24 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.80 2wpq h ILE 530 Cb -0.07 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 2wpq h ILE 530 CO -0.05 0.08 0.56 -0.07 0.00 0.00 0.00 178.15 178.67 2wpq h LEU 531 N -0.16 0.94 -0.31 1.44 3.38 -0.95 0.18 115.31 119.82 2wpq h LEU 531 Ca -0.00 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2wpq h LEU 531 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2wpq h LEU 531 CO 0.00 0.66 -0.14 0.28 0.09 0.00 0.00 178.44 179.33 2wpq h SER 532 N 1.10 0.66 -0.69 -0.43 0.02 -0.89 -1.65 113.55 111.67 2wpq h SER 532 Ca 0.32 -0.40 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 2wpq h SER 532 Cb -0.05 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 2wpq h SER 532 CO -0.08 0.92 0.26 0.50 -1.14 0.00 0.00 176.83 177.28 2wpq h LYS 533 N 0.41 1.06 -0.57 3.45 1.63 -0.31 -1.59 116.57 120.65 2wpq h LYS 533 Ca 0.07 -0.20 -0.04 0.00 -0.85 0.00 0.00 60.65 59.63 2wpq h LYS 533 Cb 0.66 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 2wpq h LYS 533 CO 0.04 0.88 0.20 0.82 -3.45 0.00 0.00 179.45 177.95 2wpq h ILE 534 N 1.03 1.23 -0.50 2.00 2.04 -0.50 -0.85 117.51 121.97 2wpq h ILE 534 Ca 0.24 -0.76 0.02 0.00 1.00 0.00 0.00 64.86 65.35 2wpq h ILE 534 Cb 0.23 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2wpq h ILE 534 CO -0.02 0.29 0.30 0.22 0.00 0.00 0.00 178.15 178.95 2wpq h TYR 535 N 0.79 0.57 -0.55 1.37 3.20 -0.95 -0.60 116.97 120.81 2wpq h TYR 535 Ca 0.19 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.13 2wpq h TYR 535 Cb 0.25 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 2wpq h TYR 535 CO 0.01 0.33 0.27 1.25 -1.64 0.00 0.00 178.16 178.39 2wpq h HIS 536 N 0.61 0.50 -0.39 -3.82 2.76 -0.95 -2.47 115.15 111.38 2wpq h HIS 536 Ca 0.20 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.41 2wpq h HIS 536 Cb 0.01 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 28.80 2wpq h HIS 536 CO -0.06 0.23 0.23 0.82 -1.30 0.00 0.00 177.93 177.85 2wpq h ILE 537 N 0.52 1.04 -0.79 6.26 2.04 -0.70 0.09 117.51 125.97 2wpq h ILE 537 Ca 0.25 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 2wpq h ILE 537 Cb 0.17 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 2wpq h ILE 537 CO -0.18 0.09 0.46 -0.33 0.00 0.00 0.00 178.15 178.19 2wpq h GLU 538 N 0.47 1.07 -0.25 2.37 5.08 -0.88 0.60 114.58 123.04 2wpq h GLU 538 Ca 0.16 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 2wpq h GLU 538 Cb 0.01 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2wpq h GLU 538 CO -0.07 0.76 -0.46 -0.91 -1.00 0.00 0.00 179.01 177.32 2wpq h ASN 539 N 1.09 0.69 -0.33 1.42 2.35 -0.99 -0.98 115.58 118.84 2wpq h ASN 539 Ca 0.28 -0.33 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2wpq h ASN 539 Cb -0.03 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 2wpq h ASN 539 CO -0.05 1.05 0.19 -0.33 -1.65 0.00 0.00 177.43 176.63 2wpq h GLU 540 N 0.51 0.37 -0.19 0.81 5.08 -0.14 -1.60 114.58 119.43 2wpq h GLU 540 Ca 0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2wpq h GLU 540 Cb 1.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2wpq h GLU 540 CO 0.09 0.25 0.11 0.82 -1.00 0.00 0.00 179.01 179.27 2wpq h ILE 541 N 0.38 1.10 -0.85 3.13 2.04 -0.73 -1.05 117.51 121.53 2wpq h ILE 541 Ca 0.13 -0.26 0.10 0.00 1.00 0.00 0.00 64.86 65.83 2wpq h ILE 541 Cb 0.01 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 2wpq h ILE 541 CO -0.06 0.09 0.55 0.00 0.00 0.00 0.00 178.15 178.73 2wpq h ALA 542 N 1.00 1.70 -0.28 1.87 0.00 -1.11 0.21 119.26 122.66 2wpq h ALA 542 Ca 0.07 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2wpq h ALA 542 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2wpq h ALA 542 CO -0.01 0.12 -0.01 0.00 0.00 0.00 0.00 179.25 179.35 2wpq h ARG 543 N 0.81 0.50 -0.75 0.00 3.08 -0.81 -2.94 114.38 114.27 2wpq h ARG 543 Ca 0.40 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.29 2wpq h ARG 543 Cb 0.45 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 2wpq h ARG 543 CO -0.17 0.66 0.49 0.82 -1.07 0.00 0.00 179.97 180.70 2wpq h ILE 544 N 0.28 1.20 0.00 2.04 2.04 -0.48 -2.32 117.51 120.27 2wpq h ILE 544 Ca 0.08 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 2wpq h ILE 544 Cb 0.44 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2wpq h ILE 544 CO 0.02 0.19 -0.10 0.11 0.00 0.00 0.00 178.15 178.37 2wpq h LYS 545 N 1.01 0.00 0.00 2.37 1.57 -0.96 -0.96 116.57 119.60 2wpq h LYS 545 Ca 0.27 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.95 2wpq h LYS 545 Cb -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2wpq h LYS 545 CO -0.06 0.10 -0.48 0.87 -0.57 0.00 0.00 179.45 179.32 2wpq h LYS 546 N 0.00 0.00 -0.00 3.15 6.56 -1.24 -3.15 116.57 121.89 2wpq h LYS 546 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2wpq h LYS 546 Cb 0.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.85 2wpq h LYS 546 CO 0.01 0.48 -0.35 1.28 -2.06 0.00 0.00 179.45 178.81 2wpq n LEU 547 N -3.97 0.37 -0.32 2.94 4.32 -0.40 -5.14 117.00 114.81 2wpq n LEU 547 Ca -0.02 0.14 0.04 0.00 -0.02 0.00 0.00 56.01 56.15 2wpq n LEU 547 Cb 0.50 -0.32 0.03 0.00 -1.62 0.00 0.00 43.42 42.01 2wpq n LEU 547 CO 0.40 0.09 0.37 2.30 -1.22 0.00 0.00 177.39 179.34