#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpr h GLU 458 N 0.00 0.38 -0.04 0.38 4.39 -2.05 0.14 114.58 117.77 2wpr h GLU 458 Ca 0.00 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.51 2wpr h GLU 458 Cb 0.00 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2wpr h GLU 458 CO 0.00 0.25 -0.71 -0.44 -1.16 0.00 0.00 179.01 176.95 2wpr h ASP 459 N 0.39 0.28 0.12 1.42 3.32 -2.05 -1.51 116.42 118.39 2wpr h ASP 459 Ca 0.51 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 2wpr h ASP 459 Cb 1.32 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 2wpr h ASP 459 CO -0.21 0.90 -0.07 0.50 -1.72 0.00 0.00 179.24 178.64 2wpr h LYS 460 N 0.16 -0.17 0.28 3.56 1.63 -1.32 -1.40 116.57 119.32 2wpr h LYS 460 Ca -0.02 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2wpr h LYS 460 Cb 1.26 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.91 2wpr h LYS 460 CO 0.11 -0.11 -0.26 0.82 -3.45 0.00 0.00 179.45 176.56 2wpr h ILE 461 N -0.18 0.45 -0.33 2.00 1.08 -0.82 0.10 117.51 119.82 2wpr h ILE 461 Ca -0.01 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.53 2wpr h ILE 461 Cb 0.14 0.45 -0.08 0.00 -3.07 0.00 0.00 36.82 34.26 2wpr h ILE 461 CO 0.02 0.00 -0.23 -0.33 -0.69 0.00 0.00 178.15 176.92 2wpr h GLU 462 N -0.57 -0.18 0.13 2.37 4.39 -1.11 0.22 114.58 119.83 2wpr h GLU 462 Ca -0.01 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2wpr h GLU 462 Cb 0.51 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.16 2wpr h GLU 462 CO -0.04 -0.12 -0.53 1.49 -1.16 0.00 0.00 179.01 178.65 2wpr h GLU 463 N -0.19 -0.74 -0.94 2.33 4.81 -1.05 -1.32 114.58 117.48 2wpr h GLU 463 Ca 0.17 0.05 0.28 0.00 -0.13 0.00 0.00 59.36 59.72 2wpr h GLU 463 Cb 0.45 0.17 -0.15 0.00 0.63 0.00 0.00 28.75 29.85 2wpr h GLU 463 CO -0.44 -0.49 0.38 0.82 -0.73 0.00 0.00 179.01 178.55 2wpr h ILE 464 N -0.76 0.30 -0.66 2.32 2.04 0.20 0.18 117.51 121.13 2wpr h ILE 464 Ca -0.01 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 2wpr h ILE 464 Cb 0.77 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2wpr h ILE 464 CO -0.28 0.05 0.16 -0.07 0.00 0.00 0.00 178.15 178.01 2wpr h LEU 465 N 0.26 1.00 0.51 1.44 3.38 0.01 -2.32 115.31 119.59 2wpr h LEU 465 Ca 0.64 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.35 2wpr h LEU 465 Cb 1.37 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.86 2wpr h LEU 465 CO -0.64 0.97 -0.25 0.28 0.09 0.00 0.00 178.44 178.89 2wpr h SER 466 N 0.98 -0.58 -0.89 -0.43 0.02 0.40 -0.64 113.55 112.40 2wpr h SER 466 Ca 0.21 -0.02 0.24 0.00 -0.84 0.00 0.00 61.79 61.38 2wpr h SER 466 Cb 0.36 0.15 -0.14 0.00 0.14 0.00 0.00 62.40 62.91 2wpr h SER 466 CO 0.00 -0.36 0.30 0.11 -1.14 0.00 0.00 176.83 175.75 2wpr h LYS 467 N -0.77 0.26 -0.66 3.45 1.57 -1.09 -0.04 116.57 119.29 2wpr h LYS 467 Ca -0.07 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 2wpr h LYS 467 Cb 0.56 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 2wpr h LYS 467 CO 0.12 0.17 0.11 0.82 -0.57 0.00 0.00 179.45 180.09 2wpr h ILE 468 N 0.26 1.26 -0.39 1.86 2.04 -0.74 -1.72 117.51 120.08 2wpr h ILE 468 Ca 0.57 -1.03 -0.14 0.00 1.00 0.00 0.00 64.86 65.27 2wpr h ILE 468 Cb 1.14 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 2wpr h ILE 468 CO -0.62 0.38 -0.29 0.22 0.00 0.00 0.00 178.15 177.84 2wpr h TYR 469 N 1.01 1.00 -0.04 1.37 3.20 0.44 -1.80 116.97 122.15 2wpr h TYR 469 Ca 0.20 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2wpr h TYR 469 Cb 0.43 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 2wpr h TYR 469 CO 0.03 1.04 0.03 1.25 -1.64 0.00 0.00 178.16 178.87 2wpr h HIS 470 N 0.72 0.05 -0.15 -3.82 2.76 -1.15 -2.72 115.15 110.84 2wpr h HIS 470 Ca 0.08 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.29 2wpr h HIS 470 Cb 0.85 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.76 2wpr h HIS 470 CO 0.05 0.03 -0.06 0.82 -1.30 0.00 0.00 177.93 177.47 2wpr h ILE 471 N 0.05 0.78 0.00 6.26 2.04 -1.13 -2.18 117.51 123.34 2wpr h ILE 471 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 2wpr h ILE 471 Cb -0.00 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2wpr h ILE 471 CO -0.00 0.00 -0.07 1.05 0.00 0.00 0.00 178.15 179.13 2wpr h GLU 472 N -0.04 0.00 -0.14 2.37 4.11 -1.22 0.18 114.58 119.84 2wpr h GLU 472 Ca 0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.49 2wpr h GLU 472 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2wpr h GLU 472 CO -0.18 0.07 0.02 -0.91 0.07 0.00 0.00 179.01 178.07 2wpr h ASN 473 N 0.00 0.23 -0.45 3.06 2.35 -1.17 -1.44 115.58 118.16 2wpr h ASN 473 Ca -0.00 -0.27 0.03 0.00 -0.55 0.00 0.00 56.30 55.51 2wpr h ASN 473 Cb 0.19 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 2wpr h ASN 473 CO 0.01 0.45 0.24 -0.33 -1.65 0.00 0.00 177.43 176.14 2wpr h GLU 474 N 0.01 0.46 0.00 0.81 5.08 -0.13 0.13 114.58 120.93 2wpr h GLU 474 Ca 0.04 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2wpr h GLU 474 Cb 0.32 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2wpr h GLU 474 CO 0.00 0.30 -0.11 0.82 -1.00 0.00 0.00 179.01 179.03 2wpr h ILE 475 N 0.47 1.01 -0.33 3.13 2.04 -0.80 -1.99 117.51 121.04 2wpr h ILE 475 Ca 0.19 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.72 2wpr h ILE 475 Cb 0.08 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 2wpr h ILE 475 CO -0.12 0.11 -0.04 0.00 0.00 0.00 0.00 178.15 178.10 2wpr h ALA 476 N 1.89 0.26 0.00 1.87 0.00 0.14 -2.32 119.26 121.09 2wpr h ALA 476 Ca -0.00 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2wpr h ALA 476 Cb 0.20 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2wpr h ALA 476 CO 0.01 -0.43 -0.34 0.00 0.00 0.00 0.00 179.25 178.49 2wpr h ARG 477 N 0.05 0.00 0.00 0.00 3.08 -0.65 -2.80 114.38 114.06 2wpr h ARG 477 Ca 0.16 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 2wpr h ARG 477 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 2wpr h ARG 477 CO -0.30 0.34 -0.09 0.82 -1.07 0.00 0.00 179.97 179.67 2wpr h ILE 478 N 0.00 0.08 0.00 2.04 2.04 -1.14 -3.14 117.51 117.39 2wpr h ILE 478 Ca -0.00 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.74 2wpr h ILE 478 Cb 0.84 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 2wpr h ILE 478 CO 0.04 0.05 0.00 0.11 0.00 0.00 0.00 178.15 178.35 2wpr h LYS 479 N 0.00 0.00 -0.79 2.37 1.57 -1.14 -2.74 116.57 115.84 2wpr h LYS 479 Ca -0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 2wpr h LYS 479 Cb 1.04 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.29 2wpr h LYS 479 CO 0.01 0.00 0.53 0.87 -0.57 0.00 0.00 179.45 180.28 2wpr h LYS 480 N 0.00 0.43 0.00 3.15 1.57 -1.62 -2.75 116.57 117.35 2wpr h LYS 480 Ca 0.00 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2wpr h LYS 480 Cb 0.60 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2wpr h LYS 480 CO 0.00 0.28 -0.26 -0.07 -0.57 0.00 0.00 179.45 178.83 2wpr h LEU 481 N 0.44 0.00 -1.42 2.94 4.07 -1.68 -2.70 115.31 116.96 2wpr h LEU 481 Ca 0.39 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.41 2wpr h LEU 481 Cb 0.89 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.59 2wpr h LEU 481 CO -0.14 0.26 0.45 0.40 -1.08 0.00 0.00 178.44 178.33 2wpr h ILE 482 N 0.00 1.03 -0.14 1.22 2.04 -1.66 0.64 117.51 120.63 2wpr h ILE 482 Ca -0.00 -0.25 -0.15 0.00 1.00 0.00 0.00 64.86 65.46 2wpr h ILE 482 Cb 0.85 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2wpr h ILE 482 CO 0.03 0.13 -0.55 -0.08 0.00 0.00 0.00 178.15 177.68 2wpr h GLU 483 N 0.71 0.41 0.04 2.37 4.81 -1.62 -3.15 114.58 118.16 2wpr h GLU 483 Ca 0.29 -0.26 -0.27 0.00 -0.13 0.00 0.00 59.36 58.99 2wpr h GLU 483 Cb 0.23 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 2wpr h GLU 483 CO -0.09 0.86 -1.45 0.87 -0.73 0.00 0.00 179.01 178.47 2wpr h LYS 484 N 0.32 0.09 -1.01 1.92 1.57 -1.34 -3.11 116.57 115.00 2wpr h LYS 484 Ca 0.00 -0.15 0.12 0.00 -1.87 0.00 0.00 60.65 58.76 2wpr h LYS 484 Cb 1.07 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 33.35 2wpr h LYS 484 CO 0.10 1.07 0.63 0.28 -0.57 0.00 0.00 179.45 180.96 2wpr h VAL 485 N -0.68 0.92 -0.05 0.50 2.07 -1.05 -1.47 116.25 116.50 2wpr h VAL 485 Ca -0.36 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 66.84 2wpr h VAL 485 Cb 1.52 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2wpr h VAL 485 CO -0.11 0.18 -0.08 0.44 0.02 0.00 0.00 177.57 178.02 2wpr h ASP 486 N 1.00 -0.25 -0.03 0.57 3.32 -1.61 -1.26 116.42 118.16 2wpr h ASP 486 Ca 0.50 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.48 2wpr h ASP 486 Cb 0.49 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 2wpr h ASP 486 CO -0.27 -0.12 -0.32 -0.61 -1.72 0.00 0.00 179.24 176.20 2wpr h GLN 487 N -0.12 0.50 -0.53 3.56 4.15 -1.36 -2.57 115.11 118.74 2wpr h GLN 487 Ca 0.05 -0.22 0.02 0.00 0.77 0.00 0.00 58.65 59.27 2wpr h GLN 487 Cb 0.19 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 2wpr h GLN 487 CO -0.12 0.77 0.32 -0.91 -1.93 0.00 0.00 178.83 176.96 2wpr h ASN 488 N 0.43 0.53 -0.84 -0.69 4.21 -1.01 -1.44 115.58 116.77 2wpr h ASN 488 Ca 0.05 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.54 2wpr h ASN 488 Cb 0.78 -0.11 -0.04 0.00 -1.12 0.00 0.00 38.32 37.82 2wpr h ASN 488 CO 0.06 0.38 0.43 0.74 -1.29 0.00 0.00 177.43 177.75 2wpr h THR 489 N 0.65 1.25 -0.69 2.81 2.02 -1.00 -0.38 112.91 117.57 2wpr h THR 489 Ca 0.21 -0.67 0.06 0.00 0.77 0.00 0.00 66.41 66.78 2wpr h THR 489 Cb 0.00 0.15 -0.06 0.00 -1.74 0.00 0.00 68.15 66.51 2wpr h THR 489 CO -0.08 0.29 0.39 0.00 0.37 0.00 0.00 175.52 176.49 2wpr h ALA 490 N 1.23 0.93 -0.31 6.16 0.00 -1.05 -2.24 119.26 123.98 2wpr h ALA 490 Ca 0.29 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 2wpr h ALA 490 Cb 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2wpr h ALA 490 CO -0.04 0.08 -0.37 -0.44 0.00 0.00 0.00 179.25 178.48 2wpr h ASP 491 N 0.73 0.76 -0.65 0.00 3.32 -0.88 -2.09 116.42 117.61 2wpr h ASP 491 Ca 0.31 -0.33 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 2wpr h ASP 491 Cb 0.18 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 2wpr h ASP 491 CO -0.18 1.05 0.20 0.40 -1.72 0.00 0.00 179.24 179.00 2wpr h ILE 492 N 0.60 1.25 -0.32 0.35 2.04 -0.51 0.99 117.51 121.90 2wpr h ILE 492 Ca 0.05 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 2wpr h ILE 492 Cb 0.91 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2wpr h ILE 492 CO 0.08 0.33 0.15 0.74 0.00 0.00 0.00 178.15 179.46 2wpr h THR 493 N 0.99 1.16 0.37 -0.27 2.02 -1.34 -0.10 112.91 115.74 2wpr h THR 493 Ca 0.22 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 2wpr h THR 493 Cb 0.29 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 2wpr h THR 493 CO -0.01 0.16 -0.31 0.74 0.37 0.00 0.00 175.52 176.48 2wpr h THR 494 N 0.37 0.36 -1.03 3.16 2.02 -0.93 0.03 112.91 116.89 2wpr h THR 494 Ca 0.11 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.56 2wpr h THR 494 Cb 0.12 0.36 -0.11 0.00 -1.74 0.00 0.00 68.15 66.78 2wpr h THR 494 CO -0.01 0.00 0.64 0.78 0.37 0.00 0.00 175.52 177.29 2wpr h ASN 495 N -0.69 0.55 -0.22 4.18 4.21 -0.75 -1.89 115.58 120.98 2wpr h ASN 495 Ca -0.03 0.12 -0.08 0.00 1.21 0.00 0.00 56.30 57.52 2wpr h ASN 495 Cb 0.60 0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 37.83 2wpr h ASN 495 CO -0.02 0.07 -0.18 0.74 -1.29 0.00 0.00 177.43 176.75 2wpr h THR 496 N 0.46 1.32 -0.09 2.81 2.02 -0.21 -0.69 112.91 118.52 2wpr h THR 496 Ca 0.64 -1.32 0.04 0.00 0.77 0.00 0.00 66.41 66.54 2wpr h THR 496 Cb 1.44 1.69 -0.06 0.00 -1.74 0.00 0.00 68.15 69.47 2wpr h THR 496 CO -0.41 0.41 -0.46 0.78 0.37 0.00 0.00 175.52 176.21 2wpr h ASN 497 N 0.21 -1.42 -0.71 4.18 2.35 -0.31 -2.04 115.58 117.83 2wpr h ASN 497 Ca 0.04 0.18 0.16 0.00 -0.55 0.00 0.00 56.30 56.12 2wpr h ASN 497 Cb 0.72 0.56 -0.11 0.00 0.05 0.00 0.00 38.32 39.54 2wpr h ASN 497 CO 0.05 -0.46 0.11 0.28 -1.65 0.00 0.00 177.43 175.77 2wpr h SER 498 N -0.55 -0.10 0.05 5.81 0.02 -1.25 -1.35 113.55 116.19 2wpr h SER 498 Ca 0.06 0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2wpr h SER 498 Cb 0.66 0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 2wpr h SER 498 CO -0.39 -0.08 -0.11 0.40 -1.14 0.00 0.00 176.83 175.51 2wpr h ILE 499 N 0.21 0.73 -0.32 3.27 2.04 -0.83 -1.00 117.51 121.60 2wpr h ILE 499 Ca 0.40 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.30 2wpr h ILE 499 Cb 0.68 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 2wpr h ILE 499 CO -0.54 0.00 0.09 0.78 0.00 0.00 0.00 178.15 178.48 2wpr h ASN 500 N -0.22 0.08 -0.50 1.72 2.35 -0.63 0.21 115.58 118.58 2wpr h ASN 500 Ca 0.02 0.04 0.05 0.00 -0.55 0.00 0.00 56.30 55.86 2wpr h ASN 500 Cb 0.24 0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.59 2wpr h ASN 500 CO -0.08 0.08 -0.31 1.56 -1.65 0.00 0.00 177.43 177.03 2wpr h GLN 501 N 0.22 -0.02 -0.96 0.81 1.08 -1.19 -1.79 115.11 113.26 2wpr h GLN 501 Ca 0.15 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.48 2wpr h GLN 501 Cb 0.14 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.49 2wpr h GLN 501 CO -0.17 -0.01 0.59 -0.91 -0.95 0.00 0.00 178.83 177.37 2wpr h ASN 502 N -0.02 0.83 -0.76 1.46 4.21 0.04 -1.91 115.58 119.44 2wpr h ASN 502 Ca 0.08 0.06 -0.02 0.00 1.21 0.00 0.00 56.30 57.63 2wpr h ASN 502 Cb 0.23 -0.10 -0.04 0.00 -1.12 0.00 0.00 38.32 37.29 2wpr h ASN 502 CO -0.48 0.42 0.40 0.74 -1.29 0.00 0.00 177.43 177.23 2wpr h THR 503 N 0.90 1.23 -0.70 2.81 2.02 0.00 -1.32 112.91 117.86 2wpr h THR 503 Ca 0.49 -0.62 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 2wpr h THR 503 Cb 0.53 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 2wpr h THR 503 CO -0.29 0.27 0.18 0.74 0.37 0.00 0.00 175.52 176.79 2wpr h THR 504 N 1.09 1.26 0.00 3.16 2.02 -0.54 -2.54 112.91 117.36 2wpr h THR 504 Ca 0.27 -0.95 -0.24 0.00 0.77 0.00 0.00 66.41 66.26 2wpr h THR 504 Cb 0.06 0.53 0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2wpr h THR 504 CO -0.04 0.37 -0.97 0.44 0.37 0.00 0.00 175.52 175.68 2wpr h ASP 505 N 1.05 0.62 -1.00 4.18 5.19 -1.15 0.13 116.42 125.44 2wpr h ASP 505 Ca 0.22 -0.50 0.14 0.00 -0.62 0.00 0.00 57.03 56.27 2wpr h ASP 505 Cb 0.36 -0.19 -0.09 0.00 0.18 0.00 0.00 39.33 39.59 2wpr h ASP 505 CO 0.00 1.30 0.63 0.40 -3.12 0.00 0.00 179.24 178.44 2wpr h ILE 506 N 0.26 0.87 -0.35 0.35 2.04 -1.33 0.16 117.51 119.51 2wpr h ILE 506 Ca -0.09 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 2wpr h ILE 506 Cb 1.61 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2wpr h ILE 506 CO 0.17 0.17 0.07 0.00 0.00 0.00 0.00 178.15 178.56 2wpr h ALA 507 N 1.57 0.47 -0.56 1.87 0.00 -0.59 0.56 119.26 122.58 2wpr h ALA 507 Ca 0.51 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2wpr h ALA 507 Cb 0.59 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2wpr h ALA 507 CO -0.28 0.16 0.28 1.15 0.00 0.00 0.00 179.25 180.55 2wpr h THR 508 N 0.42 1.20 -0.57 0.00 2.02 -0.65 -1.81 112.91 113.52 2wpr h THR 508 Ca 0.11 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 2wpr h THR 508 Cb 0.33 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 2wpr h THR 508 CO 0.00 0.22 0.08 0.78 0.37 0.00 0.00 175.52 176.98 2wpr h ASN 509 N 0.75 0.92 -0.44 4.18 4.21 -0.77 -2.53 115.58 121.90 2wpr h ASN 509 Ca 0.19 -0.27 0.03 0.00 1.21 0.00 0.00 56.30 57.47 2wpr h ASN 509 Cb 0.10 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 37.02 2wpr h ASN 509 CO -0.03 0.96 0.24 0.74 -1.29 0.00 0.00 177.43 178.05 2wpr h THR 510 N 0.85 1.00 -0.82 2.81 2.02 0.26 -1.65 112.91 117.38 2wpr h THR 510 Ca 0.17 -0.16 0.03 0.00 0.77 0.00 0.00 66.41 67.22 2wpr h THR 510 Cb 0.43 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 67.27 2wpr h THR 510 CO 0.01 0.09 0.53 0.74 0.37 0.00 0.00 175.52 177.26 2wpr h THR 511 N 0.48 1.12 -0.15 3.16 2.02 -1.24 -2.16 112.91 116.14 2wpr h THR 511 Ca 0.19 -0.35 -0.21 0.00 0.77 0.00 0.00 66.41 66.81 2wpr h THR 511 Cb 0.06 0.01 0.01 0.00 -1.74 0.00 0.00 68.15 66.49 2wpr h THR 511 CO -0.11 0.19 -0.73 0.78 0.37 0.00 0.00 175.52 176.02 2wpr h ASN 512 N 1.02 0.89 -0.67 4.18 2.35 -1.22 -2.11 115.58 120.02 2wpr h ASN 512 Ca 0.33 -0.63 0.02 0.00 -0.55 0.00 0.00 56.30 55.47 2wpr h ASN 512 Cb 0.02 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 2wpr h ASN 512 CO -0.12 1.38 0.43 0.40 -1.65 0.00 0.00 177.43 177.87 2wpr h ILE 513 N 0.47 1.12 0.00 2.81 2.04 -1.11 0.35 117.51 123.18 2wpr h ILE 513 Ca -0.05 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 2wpr h ILE 513 Cb 1.36 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2wpr h ILE 513 CO 0.15 0.16 -0.33 0.78 0.00 0.00 0.00 178.15 178.91 2wpr h ASN 514 N 0.85 0.00 0.03 1.72 2.35 -1.37 -1.28 115.58 117.88 2wpr h ASN 514 Ca 0.26 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.01 2wpr h ASN 514 Cb -0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2wpr h ASN 514 CO -0.09 0.33 -0.01 0.78 -1.65 0.00 0.00 177.43 176.79 2wpr h ASN 515 N 0.00 -0.03 -0.30 5.81 2.35 -0.84 -2.90 115.58 119.67 2wpr h ASN 515 Ca -0.00 -0.61 0.07 0.00 -0.55 0.00 0.00 56.30 55.20 2wpr h ASN 515 Cb 0.95 0.01 -0.07 0.00 0.05 0.00 0.00 38.32 39.26 2wpr h ASN 515 CO 0.04 0.74 -0.19 0.25 -1.65 0.00 0.00 177.43 176.62 2wpr h LEU 516 N -0.95 -0.64 -0.72 1.61 5.85 -0.28 0.22 115.31 120.41 2wpr h LEU 516 Ca -0.00 0.13 0.15 0.00 0.84 0.00 0.00 57.88 59.00 2wpr h LEU 516 Cb 0.64 0.33 -0.10 0.00 0.37 0.00 0.00 40.66 41.90 2wpr h LEU 516 CO 0.01 -0.23 0.19 -1.28 -0.34 0.00 0.00 178.44 176.79 2wpr h SER 517 N -0.16 0.06 0.36 1.25 0.87 -1.37 -2.08 113.55 112.47 2wpr h SER 517 Ca 0.16 0.13 -0.16 0.00 -1.23 0.00 0.00 61.79 60.69 2wpr h SER 517 Cb 0.41 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2wpr h SER 517 CO -0.40 -0.01 -0.67 0.44 -0.53 0.00 0.00 176.83 175.66 2wpr h ASP 518 N 0.30 0.33 0.08 6.23 3.32 -0.79 -1.42 116.42 124.46 2wpr h ASP 518 Ca 0.40 -0.20 -0.21 0.00 0.02 0.00 0.00 57.03 57.04 2wpr h ASP 518 Cb 0.65 -0.10 0.02 0.00 0.22 0.00 0.00 39.33 40.13 2wpr h ASP 518 CO -0.47 0.90 -0.86 0.77 -1.72 0.00 0.00 179.24 177.86 2wpr h SER 519 N 0.20 0.61 -0.03 6.45 4.64 -1.08 -2.88 113.55 121.46 2wpr h SER 519 Ca -0.02 -0.84 0.04 0.00 -0.47 0.00 0.00 61.79 60.50 2wpr h SER 519 Cb 1.21 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 63.05 2wpr h SER 519 CO 0.11 1.39 -0.32 0.40 -0.87 0.00 0.00 176.83 177.54 2wpr h ILE 520 N -0.09 0.30 -0.96 0.95 5.03 -1.38 -2.15 117.51 119.22 2wpr h ILE 520 Ca -0.13 0.00 0.10 0.00 -0.12 0.00 0.00 64.86 64.71 2wpr h ILE 520 Cb 1.60 0.30 -0.12 0.00 -3.03 0.00 0.00 36.82 35.56 2wpr h ILE 520 CO 0.16 0.00 -0.55 0.74 -0.68 0.00 0.00 178.15 177.82 2wpr h THR 521 N -0.46 0.00 -0.14 -0.27 2.02 -1.24 -1.12 112.91 111.70 2wpr h THR 521 Ca 0.07 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.09 2wpr h THR 521 Cb 0.56 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2wpr h THR 521 CO -0.28 0.00 -0.57 0.71 0.37 0.00 0.00 175.52 175.75 2wpr h THR 522 N -0.02 1.34 0.17 3.16 1.35 -1.46 -1.96 112.91 115.49 2wpr h THR 522 Ca 0.19 -1.85 -0.01 0.00 -0.55 0.00 0.00 66.41 64.18 2wpr h THR 522 Cb 0.45 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2wpr h THR 522 CO -0.93 0.57 -0.08 -0.07 -0.25 0.00 0.00 175.52 174.76 2wpr h LEU 523 N 0.34 -0.19 -0.98 3.87 -0.00 -0.57 -2.81 115.31 114.96 2wpr h LEU 523 Ca 0.00 -0.24 -0.02 0.00 -0.00 0.00 0.00 57.88 57.62 2wpr h LEU 523 Cb 1.10 0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 41.77 2wpr h LEU 523 CO 0.10 0.15 0.42 0.24 -0.00 0.00 0.00 178.44 179.35 2wpr h MET 524 N -0.56 1.15 -1.08 1.13 2.86 -1.26 0.15 114.93 117.33 2wpr h MET 524 Ca -0.02 -0.14 0.32 0.00 -2.06 0.00 0.00 59.70 57.80 2wpr h MET 524 Cb 0.42 -0.22 -0.13 0.00 0.06 0.00 0.00 31.60 31.73 2wpr h MET 524 CO 0.04 0.86 0.66 0.87 1.06 0.00 0.00 176.91 180.39 2wpr h LYS 525 N 1.15 0.31 0.14 1.72 6.56 -1.27 -0.61 116.57 124.57 2wpr h LYS 525 Ca 0.28 -0.02 -0.28 0.00 -1.06 0.00 0.00 60.65 59.57 2wpr h LYS 525 Cb 0.06 -0.07 0.01 0.00 -0.57 0.00 0.00 32.23 31.66 2wpr h LYS 525 CO -0.04 0.21 -1.29 1.96 -2.06 0.00 0.00 179.45 178.22 2wpr h GLN 526 N 0.32 0.30 0.36 3.15 4.20 -0.47 -3.24 115.11 119.72 2wpr h GLN 526 Ca 0.71 -0.52 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 2wpr h GLN 526 Cb 1.77 0.19 0.00 0.00 0.30 0.00 0.00 27.48 29.75 2wpr h GLN 526 CO -0.47 1.24 -0.19 0.82 -0.67 0.00 0.00 178.83 179.56 2wpr h ILE 527 N 0.08 0.61 -1.05 2.54 2.04 -0.70 -2.57 117.51 118.47 2wpr h ILE 527 Ca -0.16 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.01 2wpr h ILE 527 Cb 2.00 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 2wpr h ILE 527 CO 0.21 0.00 1.00 -0.33 0.00 0.00 0.00 178.15 179.03 2wpr h GLU 528 N -0.50 0.00 -0.02 2.37 5.08 -1.21 0.23 114.58 120.53 2wpr h GLU 528 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2wpr h GLU 528 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2wpr h GLU 528 CO 0.07 0.00 -0.25 -0.25 -1.00 0.00 0.00 179.01 177.57 2wpr n ASP 529 N -3.62 2.06 -0.01 1.42 9.92 -1.09 -1.02 116.55 124.21 2wpr n ASP 529 Ca 0.23 -1.53 -0.11 0.00 -0.53 0.00 0.00 54.79 52.85 2wpr n ASP 529 Cb 1.33 0.31 -0.09 0.00 -0.64 0.00 0.00 41.12 42.04 2wpr n ASP 529 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2wpr h LYS 530 N 2.64 -0.09 -0.28 -1.24 1.79 -0.22 -3.00 116.57 116.17 2wpr h LYS 530 Ca 0.00 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.54 2wpr h LYS 530 Cb 0.69 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.34 2wpr h LYS 530 CO 0.00 0.49 0.19 0.82 -1.08 0.00 0.00 179.45 179.87 2wpr h ILE 531 N -0.88 0.91 0.68 1.86 2.04 -1.11 0.69 117.51 121.70 2wpr h ILE 531 Ca -0.01 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 2wpr h ILE 531 Cb 0.61 0.81 0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2wpr h ILE 531 CO 0.01 0.02 -0.33 -0.08 0.00 0.00 0.00 178.15 177.77 2wpr h GLU 532 N 0.09 -0.88 0.00 2.37 4.57 -1.17 -1.33 114.58 118.23 2wpr h GLU 532 Ca 0.13 0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.40 2wpr h GLU 532 Cb 0.39 0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 29.12 2wpr h GLU 532 CO -0.01 -0.56 -0.41 0.93 -1.18 0.00 0.00 179.01 177.77 2wpr h GLU 533 N -1.05 -0.55 -0.82 1.92 5.08 -1.04 -2.74 114.58 115.38 2wpr h GLU 533 Ca -0.09 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.46 2wpr h GLU 533 Cb 0.73 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 30.01 2wpr h GLU 533 CO 0.15 -0.37 0.39 0.82 -1.00 0.00 0.00 179.01 179.00 2wpr h ILE 534 N -0.57 0.67 -0.04 3.13 2.04 0.32 0.55 117.51 123.61 2wpr h ILE 534 Ca 0.05 -0.18 -0.11 0.00 1.00 0.00 0.00 64.86 65.61 2wpr h ILE 534 Cb 0.65 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2wpr h ILE 534 CO -0.31 0.10 -0.50 -0.07 0.00 0.00 0.00 178.15 177.37 2wpr h LEU 535 N 0.53 0.11 0.24 1.44 3.38 -0.97 -2.51 115.31 117.54 2wpr h LEU 535 Ca 0.46 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 2wpr h LEU 535 Cb 0.70 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2wpr h LEU 535 CO -0.40 0.60 -0.11 -1.28 0.09 0.00 0.00 178.44 177.33 2wpr h SER 536 N 0.09 -0.27 0.29 -0.43 0.87 -0.63 -2.26 113.55 111.20 2wpr h SER 536 Ca 0.00 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.38 2wpr h SER 536 Cb 0.92 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 2wpr h SER 536 CO 0.07 -0.03 -0.27 0.11 -0.53 0.00 0.00 176.83 176.18 2wpr h LYS 537 N -0.51 0.00 -0.05 2.24 1.57 -1.30 -0.96 116.57 117.56 2wpr h LYS 537 Ca -0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2wpr h LYS 537 Cb 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 2wpr h LYS 537 CO 0.05 0.27 0.01 0.82 -0.57 0.00 0.00 179.45 180.04 2wpr h ILE 538 N 0.00 1.20 -0.48 1.86 2.04 -1.40 0.86 117.51 121.59 2wpr h ILE 538 Ca -0.00 -0.61 0.06 0.00 1.00 0.00 0.00 64.86 65.31 2wpr h ILE 538 Cb 0.49 1.51 -0.09 0.00 -0.74 0.00 0.00 36.82 37.99 2wpr h ILE 538 CO 0.04 0.17 -0.52 0.22 0.00 0.00 0.00 178.15 178.06 2wpr h TYR 539 N -0.15 -1.56 0.00 1.37 3.20 -0.82 -1.60 116.97 117.42 2wpr h TYR 539 Ca 0.02 0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 2wpr h TYR 539 Cb 0.26 0.75 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 2wpr h TYR 539 CO 0.01 -0.47 -0.19 1.25 -1.64 0.00 0.00 178.16 177.12 2wpr h HIS 540 N -0.33 0.00 -0.63 -3.82 2.76 -1.10 0.49 115.15 112.52 2wpr h HIS 540 Ca 0.11 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.18 2wpr h HIS 540 Cb 0.58 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.52 2wpr h HIS 540 CO -0.73 0.19 0.02 0.82 -1.30 0.00 0.00 177.93 176.94 2wpr h ILE 541 N 0.00 1.27 0.00 6.26 2.04 -0.69 -2.91 117.51 123.48 2wpr h ILE 541 Ca -0.00 -1.14 -0.06 0.00 1.00 0.00 0.00 64.86 64.66 2wpr h ILE 541 Cb 0.36 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2wpr h ILE 541 CO 0.02 0.42 -0.31 -0.33 0.00 0.00 0.00 178.15 177.96 2wpr h GLU 542 N 1.00 0.00 0.27 2.37 5.08 0.94 -1.57 114.58 122.67 2wpr h GLU 542 Ca 0.18 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 2wpr h GLU 542 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2wpr h GLU 542 CO 0.03 0.31 -0.13 -0.91 -1.00 0.00 0.00 179.01 177.31 2wpr h ASN 543 N 0.00 -0.30 -0.04 1.42 2.35 -1.12 -2.36 115.58 115.52 2wpr h ASN 543 Ca -0.00 -0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.78 2wpr h ASN 543 Cb 0.78 0.08 -0.06 0.00 0.05 0.00 0.00 38.32 39.17 2wpr h ASN 543 CO 0.04 -0.20 -0.39 -0.33 -1.65 0.00 0.00 177.43 174.89 2wpr h GLU 544 N -0.37 -0.51 -0.88 0.81 3.07 -1.22 -2.23 114.58 113.26 2wpr h GLU 544 Ca -0.04 0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2wpr h GLU 544 Cb 0.28 0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.27 2wpr h GLU 544 CO 0.06 -0.34 0.51 0.82 -1.40 0.00 0.00 179.01 178.66 2wpr h ILE 545 N -0.52 1.25 -0.30 3.13 2.04 -1.28 0.63 117.51 122.45 2wpr h ILE 545 Ca 0.06 -0.57 0.07 0.00 1.00 0.00 0.00 64.86 65.42 2wpr h ILE 545 Cb 0.62 0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 36.66 2wpr h ILE 545 CO -0.33 0.27 -0.24 0.00 0.00 0.00 0.00 178.15 177.85 2wpr h ALA 546 N 1.28 -0.08 -0.33 1.87 0.00 -1.17 -1.58 119.26 119.24 2wpr h ALA 546 Ca 0.31 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.26 2wpr h ALA 546 Cb -0.02 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2wpr h ALA 546 CO -0.05 -0.65 -0.04 -0.09 0.00 0.00 0.00 179.25 178.41 2wpr h ARG 547 N -0.22 0.53 -0.36 0.00 2.43 -0.43 -1.21 114.38 115.12 2wpr h ARG 547 Ca 0.16 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 2wpr h ARG 547 Cb 0.46 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 2wpr h ARG 547 CO -0.43 0.59 -0.05 0.82 -1.51 0.00 0.00 179.97 179.39 2wpr h ILE 548 N 0.51 1.27 -0.25 1.20 2.04 -0.73 -2.55 117.51 119.00 2wpr h ILE 548 Ca 0.10 -1.09 -0.08 0.00 1.00 0.00 0.00 64.86 64.79 2wpr h ILE 548 Cb 0.39 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2wpr h ILE 548 CO 0.02 0.36 -0.21 0.11 0.00 0.00 0.00 178.15 178.43 2wpr h LYS 549 N 0.47 0.45 0.22 2.37 1.57 -1.12 -2.00 116.57 118.52 2wpr h LYS 549 Ca 0.10 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2wpr h LYS 549 Cb 0.54 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 2wpr h LYS 549 CO 0.03 0.64 -0.37 -0.22 -0.57 0.00 0.00 179.45 178.96 2wpr h LYS 550 N 0.41 -0.64 -0.74 3.15 1.63 -1.20 -3.18 116.57 116.00 2wpr h LYS 550 Ca 0.07 0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 2wpr h LYS 550 Cb 0.60 0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 32.34 2wpr h LYS 550 CO 0.04 -0.43 0.37 -0.07 -3.45 0.00 0.00 179.45 175.91 2wpr h LEU 551 N -0.67 0.96 -0.88 5.20 4.07 -1.03 -0.37 115.31 122.60 2wpr h LEU 551 Ca 0.01 -0.13 0.16 0.00 0.08 0.00 0.00 57.88 58.00 2wpr h LEU 551 Cb 0.66 -0.25 -0.10 0.00 1.08 0.00 0.00 40.66 42.05 2wpr h LEU 551 CO -0.16 0.82 0.47 0.40 -1.08 0.00 0.00 178.44 178.89 2wpr h ILE 552 N 1.04 0.72 -0.01 1.22 2.04 -1.45 -3.52 117.51 117.56 2wpr h ILE 552 Ca 0.26 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2wpr h ILE 552 Cb 0.10 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 2wpr h ILE 552 CO -0.03 0.12 0.00 0.29 0.00 0.00 0.00 178.15 178.52