#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 0.10 0.15 0.38 4.39 -2.05 0.40 114.58 117.95 2wpr h GLU 458 Ca 0.00 -0.01 -0.31 0.00 0.34 0.00 0.00 59.36 59.39 2wpr h GLU 458 Cb 0.00 -0.02 0.03 0.00 -0.10 0.00 0.00 28.75 28.66 2wpr h GLU 458 CO 0.00 0.07 -1.30 -0.44 -1.16 0.00 0.00 179.01 176.17 2wpr h ASP 459 N 0.10 0.85 -0.27 1.42 3.32 -2.05 -2.41 116.42 117.37 2wpr h ASP 459 Ca 0.52 -0.81 0.06 0.00 0.02 0.00 0.00 57.03 56.82 2wpr h ASP 459 Cb 1.86 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 41.07 2wpr h ASP 459 CO -0.07 1.62 -0.27 0.50 -1.72 0.00 0.00 179.24 179.29 2wpr h LYS 460 N 0.23 -0.26 0.31 3.56 1.63 -1.34 -1.43 116.57 119.28 2wpr h LYS 460 Ca -0.20 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.62 2wpr h LYS 460 Cb 1.98 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 33.65 2wpr h LYS 460 CO 0.25 -0.17 -0.31 0.82 -3.45 0.00 0.00 179.45 176.58 2wpr h ILE 461 N -0.27 0.35 -0.57 2.00 1.08 -0.37 -0.21 117.51 119.53 2wpr h ILE 461 Ca 0.14 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.73 2wpr h ILE 461 Cb 0.50 0.35 -0.11 0.00 -3.07 0.00 0.00 36.82 34.49 2wpr h ILE 461 CO -0.42 0.00 -0.18 -0.33 -0.69 0.00 0.00 178.15 176.53 2wpr h GLU 462 N -0.65 -0.04 0.24 2.37 4.39 -1.34 0.16 114.58 119.72 2wpr h GLU 462 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2wpr h GLU 462 Cb 0.59 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 2wpr h GLU 462 CO -0.06 -0.02 -0.51 1.49 -1.16 0.00 0.00 179.01 178.74 2wpr h GLU 463 N -0.04 -0.80 -0.89 2.33 4.81 -1.03 -1.23 114.58 117.74 2wpr h GLU 463 Ca 0.27 0.05 0.24 0.00 -0.13 0.00 0.00 59.36 59.79 2wpr h GLU 463 Cb 0.45 0.18 -0.14 0.00 0.63 0.00 0.00 28.75 29.88 2wpr h GLU 463 CO -0.61 -0.53 0.30 0.82 -0.73 0.00 0.00 179.01 178.26 2wpr h ILE 464 N -0.83 0.35 -0.58 2.32 2.04 -0.22 0.84 117.51 121.43 2wpr h ILE 464 Ca -0.02 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 2wpr h ILE 464 Cb 0.79 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2wpr h ILE 464 CO -0.21 0.05 0.07 -0.07 0.00 0.00 0.00 178.15 177.99 2wpr h LEU 465 N 0.26 0.90 0.14 1.44 3.38 -0.20 -2.03 115.31 119.20 2wpr h LEU 465 Ca 0.57 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 2wpr h LEU 465 Cb 1.16 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2wpr h LEU 465 CO -0.62 0.92 -0.07 0.28 0.09 0.00 0.00 178.44 179.04 2wpr h SER 466 N 0.89 -0.16 -0.97 -0.43 0.02 0.28 -0.96 113.55 112.21 2wpr h SER 466 Ca 0.18 -0.16 0.22 0.00 -0.84 0.00 0.00 61.79 61.19 2wpr h SER 466 Cb 0.42 0.04 -0.12 0.00 0.14 0.00 0.00 62.40 62.88 2wpr h SER 466 CO 0.01 0.07 0.55 0.11 -1.14 0.00 0.00 176.83 176.43 2wpr h LYS 467 N -0.39 0.58 -0.52 3.45 1.57 -1.00 -1.78 116.57 118.48 2wpr h LYS 467 Ca -0.02 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 2wpr h LYS 467 Cb 0.31 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2wpr h LYS 467 CO 0.03 0.39 -0.00 0.82 -0.57 0.00 0.00 179.45 180.12 2wpr h ILE 468 N 0.60 1.26 -0.35 1.86 2.04 -0.66 -1.73 117.51 120.53 2wpr h ILE 468 Ca 0.60 -1.10 -0.13 0.00 1.00 0.00 0.00 64.86 65.23 2wpr h ILE 468 Cb 1.06 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 2wpr h ILE 468 CO -0.45 0.39 -0.30 0.22 0.00 0.00 0.00 178.15 178.01 2wpr h TYR 469 N 0.79 0.88 -0.06 1.37 3.20 -0.39 -1.62 116.97 121.15 2wpr h TYR 469 Ca 0.15 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.80 2wpr h TYR 469 Cb 0.53 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2wpr h TYR 469 CO 0.04 0.96 0.02 1.25 -1.64 0.00 0.00 178.16 178.79 2wpr h HIS 470 N 0.64 0.04 -0.14 -3.82 2.76 -1.32 -2.60 115.15 110.71 2wpr h HIS 470 Ca 0.07 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.28 2wpr h HIS 470 Cb 0.82 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.74 2wpr h HIS 470 CO 0.04 0.02 -0.09 0.82 -1.30 0.00 0.00 177.93 177.43 2wpr h ILE 471 N 0.05 0.74 0.00 6.26 2.04 -1.06 -1.45 117.51 124.09 2wpr h ILE 471 Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2wpr h ILE 471 Cb 0.01 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2wpr h ILE 471 CO -0.02 0.00 -0.05 1.05 0.00 0.00 0.00 178.15 179.13 2wpr h GLU 472 N -0.08 0.00 -0.29 2.37 4.11 -1.20 0.10 114.58 119.59 2wpr h GLU 472 Ca 0.08 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.41 2wpr h GLU 472 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2wpr h GLU 472 CO -0.20 0.05 -0.24 -0.91 0.07 0.00 0.00 179.01 177.78 2wpr h ASN 473 N 0.00 0.72 -0.38 3.06 2.35 -1.01 -0.57 115.58 119.75 2wpr h ASN 473 Ca -0.00 -0.45 0.05 0.00 -0.55 0.00 0.00 56.30 55.35 2wpr h ASN 473 Cb 0.13 -0.20 -0.08 0.00 0.05 0.00 0.00 38.32 38.22 2wpr h ASN 473 CO 0.01 1.02 -0.52 -0.33 -1.65 0.00 0.00 177.43 175.96 2wpr h GLU 474 N 0.42 -0.38 0.00 0.81 3.07 0.14 -1.51 114.58 117.13 2wpr h GLU 474 Ca 0.05 0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.90 2wpr h GLU 474 Cb 0.80 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 2wpr h GLU 474 CO 0.06 -0.26 -0.17 0.82 -1.40 0.00 0.00 179.01 178.07 2wpr h ILE 475 N -0.40 0.79 -0.11 3.13 2.04 -0.77 0.22 117.51 122.42 2wpr h ILE 475 Ca 0.09 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.31 2wpr h ILE 475 Cb 0.60 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 2wpr h ILE 475 CO -0.58 0.17 -0.13 0.00 0.00 0.00 0.00 178.15 177.61 2wpr h ALA 476 N 1.83 -0.05 -0.46 1.87 0.00 -0.79 -2.06 119.26 119.60 2wpr h ALA 476 Ca -0.00 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2wpr h ALA 476 Cb 0.39 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2wpr h ALA 476 CO 0.02 -0.58 -0.01 -0.09 0.00 0.00 0.00 179.25 178.59 2wpr h ARG 477 N -0.16 0.77 0.05 0.00 2.43 0.39 -3.13 114.38 114.72 2wpr h ARG 477 Ca 0.08 -0.21 -0.23 0.00 -0.81 0.00 0.00 59.98 58.82 2wpr h ARG 477 Cb 0.28 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2wpr h ARG 477 CO -0.21 0.78 -1.04 0.82 -1.51 0.00 0.00 179.97 178.81 2wpr h ILE 478 N 0.71 1.57 0.00 1.20 2.04 -0.94 -2.71 117.51 119.39 2wpr h ILE 478 Ca 0.14 -3.04 0.00 0.00 1.00 0.00 0.00 64.86 62.96 2wpr h ILE 478 Cb 0.46 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 2wpr h ILE 478 CO 0.02 0.88 0.00 0.29 0.00 0.00 0.00 178.15 179.34 2wpr n LYS 479 N -3.51 0.05 -0.23 2.37 5.02 -0.78 -1.80 118.16 119.27 2wpr n LYS 479 Ca -0.04 0.51 0.10 0.00 -2.02 0.00 0.00 58.31 56.86 2wpr n LYS 479 Cb 0.93 -1.64 0.38 0.00 -0.02 0.00 0.00 35.03 34.67 2wpr n LYS 479 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2wpr h LYS 480 N 0.00 0.67 0.00 1.97 3.64 -1.52 -3.12 116.57 118.21 2wpr h LYS 480 Ca 0.00 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 2wpr h LYS 480 Cb 0.04 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2wpr h LYS 480 CO 0.00 0.44 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.30 2wpr h LEU 481 N 0.69 0.00 -0.93 5.20 4.07 -1.55 -3.30 115.31 119.48 2wpr h LEU 481 Ca 0.40 0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.45 2wpr h LEU 481 Cb 0.58 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.25 2wpr h LEU 481 CO -0.16 0.25 0.57 0.40 -1.08 0.00 0.00 178.44 178.42 2wpr h ILE 482 N 0.00 0.96 0.00 1.22 2.04 -1.72 0.60 117.51 120.61 2wpr h ILE 482 Ca -0.00 -0.33 -0.16 0.00 1.00 0.00 0.00 64.86 65.36 2wpr h ILE 482 Cb 0.92 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2wpr h ILE 482 CO 0.03 0.17 -0.78 -0.08 0.00 0.00 0.00 178.15 177.49 2wpr h GLU 483 N 0.96 0.00 0.08 2.37 4.81 -1.77 -2.68 114.58 118.35 2wpr h GLU 483 Ca 0.44 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.41 2wpr h GLU 483 Cb 0.35 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.74 2wpr h GLU 483 CO -0.23 0.78 -1.12 -0.22 -0.73 0.00 0.00 179.01 177.49 2wpr h LYS 484 N 0.00 0.38 -0.44 1.92 1.63 -1.47 -2.35 116.57 116.24 2wpr h LYS 484 Ca -0.01 -0.52 -0.10 0.00 -0.85 0.00 0.00 60.65 59.18 2wpr h LYS 484 Cb 1.47 0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 33.26 2wpr h LYS 484 CO 0.10 1.20 -0.13 0.28 -3.45 0.00 0.00 179.45 177.45 2wpr h VAL 485 N 0.17 1.26 -0.02 2.00 2.07 0.13 -2.88 116.25 118.97 2wpr h VAL 485 Ca -0.12 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.19 2wpr h VAL 485 Cb 1.80 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2wpr h VAL 485 CO 0.19 0.41 -0.11 0.47 0.02 0.00 0.00 177.57 178.56 2wpr n ASP 486 N -4.15 1.92 -0.01 0.57 9.92 -1.01 -1.53 116.55 122.25 2wpr n ASP 486 Ca 0.01 -1.54 -0.08 0.00 -0.53 0.00 0.00 54.79 52.66 2wpr n ASP 486 Cb 0.38 0.09 -0.13 0.00 -0.64 0.00 0.00 41.12 40.81 2wpr n ASP 486 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 2wpr h GLN 487 N 2.84 0.00 -0.32 -1.24 5.75 -1.46 -3.25 115.11 117.42 2wpr h GLN 487 Ca 0.00 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.38 2wpr h GLN 487 Cb 0.68 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.22 2wpr h GLN 487 CO 0.00 0.48 -0.28 -0.91 -2.65 0.00 0.00 178.83 175.47 2wpr h ASN 488 N 0.00 0.81 -0.68 -0.69 4.21 -1.40 -2.52 115.58 115.31 2wpr h ASN 488 Ca -0.27 -0.46 -0.01 0.00 1.21 0.00 0.00 56.30 56.78 2wpr h ASN 488 Cb 1.97 -0.23 -0.03 0.00 -1.12 0.00 0.00 38.32 38.91 2wpr h ASN 488 CO 0.08 1.09 0.40 0.74 -1.29 0.00 0.00 177.43 178.46 2wpr h THR 489 N 0.53 1.20 -0.55 2.81 2.02 -1.42 -0.76 112.91 116.74 2wpr h THR 489 Ca 0.06 -0.45 0.10 0.00 0.77 0.00 0.00 66.41 66.88 2wpr h THR 489 Cb 0.85 0.27 -0.08 0.00 -1.74 0.00 0.00 68.15 67.45 2wpr h THR 489 CO 0.07 0.21 0.14 0.00 0.37 0.00 0.00 175.52 176.31 2wpr h ALA 490 N 1.21 0.65 -0.27 6.16 0.00 -1.58 -2.11 119.26 123.32 2wpr h ALA 490 Ca 0.24 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 2wpr h ALA 490 Cb -0.02 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2wpr h ALA 490 CO -0.04 -0.28 -0.30 -0.44 0.00 0.00 0.00 179.25 178.19 2wpr h ASP 491 N 0.28 0.57 -0.41 0.00 3.32 -1.08 -1.78 116.42 117.32 2wpr h ASP 491 Ca 0.28 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 2wpr h ASP 491 Cb 0.39 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2wpr h ASP 491 CO -0.35 0.84 0.02 0.40 -1.72 0.00 0.00 179.24 178.44 2wpr h ILE 492 N 0.48 1.25 -0.43 0.35 2.04 -0.50 -0.24 117.51 120.47 2wpr h ILE 492 Ca 0.06 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 64.99 2wpr h ILE 492 Cb 0.76 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 2wpr h ILE 492 CO 0.06 0.33 0.20 0.74 0.00 0.00 0.00 178.15 179.48 2wpr h THR 493 N 0.55 0.94 0.47 -0.27 2.02 -1.31 0.17 112.91 115.48 2wpr h THR 493 Ca 0.12 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 2wpr h THR 493 Cb 0.44 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2wpr h THR 493 CO 0.02 0.07 -0.45 0.74 0.37 0.00 0.00 175.52 176.27 2wpr h THR 494 N 0.40 0.11 -1.02 3.16 2.02 -0.96 0.22 112.91 116.85 2wpr h THR 494 Ca 0.19 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.63 2wpr h THR 494 Cb 0.12 0.11 -0.08 0.00 -1.74 0.00 0.00 68.15 66.56 2wpr h THR 494 CO -0.15 0.00 0.67 0.78 0.37 0.00 0.00 175.52 177.19 2wpr h ASN 495 N -0.92 0.39 -0.08 4.18 4.21 -0.91 -1.36 115.58 121.08 2wpr h ASN 495 Ca -0.05 0.06 -0.20 0.00 1.21 0.00 0.00 56.30 57.33 2wpr h ASN 495 Cb 0.80 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.01 2wpr h ASN 495 CO -0.05 0.10 -0.69 0.74 -1.29 0.00 0.00 177.43 176.24 2wpr h THR 496 N 0.35 1.30 0.20 2.81 2.02 -0.25 -1.21 112.91 118.13 2wpr h THR 496 Ca 0.56 -1.92 0.00 0.00 0.77 0.00 0.00 66.41 65.82 2wpr h THR 496 Cb 1.50 1.89 -0.03 0.00 -1.74 0.00 0.00 68.15 69.77 2wpr h THR 496 CO -0.24 0.61 -0.44 0.78 0.37 0.00 0.00 175.52 176.60 2wpr h ASN 497 N 0.51 -1.30 -0.93 4.18 2.35 0.08 -2.53 115.58 117.94 2wpr h ASN 497 Ca -0.03 0.13 0.17 0.00 -0.55 0.00 0.00 56.30 56.02 2wpr h ASN 497 Cb 1.29 0.47 -0.08 0.00 0.05 0.00 0.00 38.32 40.05 2wpr h ASN 497 CO 0.14 -0.50 0.59 0.28 -1.65 0.00 0.00 177.43 176.29 2wpr h SER 498 N -0.70 0.64 0.66 5.81 0.02 -1.28 -0.30 113.55 118.40 2wpr h SER 498 Ca -0.02 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2wpr h SER 498 Cb 0.67 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2wpr h SER 498 CO -0.19 0.29 -0.35 0.40 -1.14 0.00 0.00 176.83 175.84 2wpr h ILE 499 N 0.66 0.29 -0.79 3.27 2.04 -1.17 -2.07 117.51 119.74 2wpr h ILE 499 Ca 0.49 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.50 2wpr h ILE 499 Cb 0.86 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 2wpr h ILE 499 CO -0.24 0.00 0.52 0.78 0.00 0.00 0.00 178.15 179.21 2wpr h ASN 500 N -0.93 0.43 0.46 1.72 2.35 -0.62 0.16 115.58 119.15 2wpr h ASN 500 Ca -0.09 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 2wpr h ASN 500 Cb 0.73 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.05 2wpr h ASN 500 CO 0.13 0.22 -0.22 1.56 -1.65 0.00 0.00 177.43 177.46 2wpr h GLN 501 N 0.45 -0.60 -0.87 0.81 4.20 -1.36 -2.60 115.11 115.15 2wpr h GLN 501 Ca 0.39 0.04 0.18 0.00 0.06 0.00 0.00 58.65 59.33 2wpr h GLN 501 Cb 0.87 0.14 -0.11 0.00 0.30 0.00 0.00 27.48 28.67 2wpr h GLN 501 CO -0.14 -0.29 0.42 -0.91 -0.67 0.00 0.00 178.83 177.24 2wpr h ASN 502 N -0.93 0.43 -0.77 1.46 4.21 -0.44 -1.66 115.58 117.87 2wpr h ASN 502 Ca -0.06 0.12 0.04 0.00 1.21 0.00 0.00 56.30 57.61 2wpr h ASN 502 Cb 0.58 0.07 -0.05 0.00 -1.12 0.00 0.00 38.32 37.80 2wpr h ASN 502 CO 0.10 0.11 0.49 0.74 -1.29 0.00 0.00 177.43 177.58 2wpr h THR 503 N 0.51 1.10 -0.65 2.81 2.02 -0.65 -0.38 112.91 117.67 2wpr h THR 503 Ca 0.51 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 67.29 2wpr h THR 503 Cb 0.86 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 2wpr h THR 503 CO -0.44 0.17 0.09 0.74 0.37 0.00 0.00 175.52 176.45 2wpr h THR 504 N 0.94 1.26 -0.00 3.16 2.02 -0.93 -2.37 112.91 116.99 2wpr h THR 504 Ca 0.31 -1.04 -0.21 0.00 0.77 0.00 0.00 66.41 66.24 2wpr h THR 504 Cb 0.04 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 2wpr h THR 504 CO -0.12 0.39 -0.90 0.44 0.37 0.00 0.00 175.52 175.69 2wpr h ASP 505 N 1.01 0.42 -0.96 4.18 5.19 -0.60 0.32 116.42 125.97 2wpr h ASP 505 Ca 0.20 -0.33 0.11 0.00 -0.62 0.00 0.00 57.03 56.38 2wpr h ASP 505 Cb 0.45 -0.13 -0.07 0.00 0.18 0.00 0.00 39.33 39.76 2wpr h ASP 505 CO 0.01 1.13 0.61 0.40 -3.12 0.00 0.00 179.24 178.27 2wpr h ILE 506 N 0.18 0.95 -0.44 0.35 2.04 -1.16 -0.58 117.51 118.85 2wpr h ILE 506 Ca -0.06 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 2wpr h ILE 506 Cb 1.53 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2wpr h ILE 506 CO 0.15 0.18 0.16 0.00 0.00 0.00 0.00 178.15 178.63 2wpr h ALA 507 N 1.54 0.58 -0.54 1.87 0.00 -0.53 0.36 119.26 122.54 2wpr h ALA 507 Ca 0.45 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 2wpr h ALA 507 Cb 0.43 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2wpr h ALA 507 CO -0.22 0.20 -0.10 1.15 0.00 0.00 0.00 179.25 180.29 2wpr h THR 508 N 0.57 1.27 -0.42 0.00 2.02 -0.84 -0.86 112.91 114.64 2wpr h THR 508 Ca 0.14 -1.26 -0.09 0.00 0.77 0.00 0.00 66.41 65.98 2wpr h THR 508 Cb 0.23 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2wpr h THR 508 CO -0.01 0.44 -0.10 0.78 0.37 0.00 0.00 175.52 177.01 2wpr h ASN 509 N 0.90 0.81 -0.23 4.18 2.35 -0.90 -2.76 115.58 119.94 2wpr h ASN 509 Ca 0.14 -0.36 0.02 0.00 -0.55 0.00 0.00 56.30 55.55 2wpr h ASN 509 Cb 0.66 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 2wpr h ASN 509 CO 0.05 0.98 0.08 0.74 -1.65 0.00 0.00 177.43 177.63 2wpr h THR 510 N 0.63 0.94 -0.97 2.81 2.02 -0.11 -1.74 112.91 116.49 2wpr h THR 510 Ca 0.11 -0.06 0.11 0.00 0.77 0.00 0.00 66.41 67.33 2wpr h THR 510 Cb 0.62 0.75 -0.08 0.00 -1.74 0.00 0.00 68.15 67.70 2wpr h THR 510 CO 0.04 0.03 0.62 0.74 0.37 0.00 0.00 175.52 177.32 2wpr h THR 511 N 0.18 0.96 0.01 3.16 2.02 -1.16 -2.46 112.91 115.62 2wpr h THR 511 Ca 0.10 -0.34 -0.27 0.00 0.77 0.00 0.00 66.41 66.67 2wpr h THR 511 Cb 0.07 -0.12 0.02 0.00 -1.74 0.00 0.00 68.15 66.38 2wpr h THR 511 CO -0.10 0.18 -1.06 0.78 0.37 0.00 0.00 175.52 175.69 2wpr h ASN 512 N 0.99 0.91 -0.40 4.18 4.21 -1.19 -2.01 115.58 122.27 2wpr h ASN 512 Ca 0.46 -0.73 0.00 0.00 1.21 0.00 0.00 56.30 57.25 2wpr h ASN 512 Cb 0.43 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.33 2wpr h ASN 512 CO -0.22 1.53 0.26 0.40 -1.29 0.00 0.00 177.43 178.11 2wpr h ILE 513 N 0.39 1.11 -0.65 2.81 2.04 -1.00 0.65 117.51 122.86 2wpr h ILE 513 Ca -0.13 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 2wpr h ILE 513 Cb 1.71 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 2wpr h ILE 513 CO 0.21 0.10 0.30 0.78 0.00 0.00 0.00 178.15 179.54 2wpr h ASN 514 N 0.53 0.83 0.26 1.72 2.35 -1.50 -1.30 115.58 118.48 2wpr h ASN 514 Ca 0.14 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2wpr h ASN 514 Cb -0.05 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.11 2wpr h ASN 514 CO -0.03 0.72 -0.12 0.78 -1.65 0.00 0.00 177.43 177.12 2wpr h ASN 515 N 0.92 -0.29 -0.50 5.81 2.35 -0.47 -1.30 115.58 122.09 2wpr h ASN 515 Ca 0.22 -0.22 0.10 0.00 -0.55 0.00 0.00 56.30 55.85 2wpr h ASN 515 Cb 0.11 0.08 -0.09 0.00 0.05 0.00 0.00 38.32 38.47 2wpr h ASN 515 CO -0.03 0.11 -0.09 0.25 -1.65 0.00 0.00 177.43 176.02 2wpr h LEU 516 N -0.74 -0.39 -0.52 1.61 5.85 0.38 0.04 115.31 121.53 2wpr h LEU 516 Ca -0.04 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.89 2wpr h LEU 516 Cb 0.49 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 2wpr h LEU 516 CO 0.06 -0.14 0.22 -1.28 -0.34 0.00 0.00 178.44 176.96 2wpr h SER 517 N 0.03 0.26 0.35 1.25 0.87 -1.25 -2.26 113.55 112.81 2wpr h SER 517 Ca 0.25 0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 60.73 2wpr h SER 517 Cb 0.38 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2wpr h SER 517 CO -0.49 0.18 -0.52 0.44 -0.53 0.00 0.00 176.83 175.91 2wpr h ASP 518 N 0.42 0.21 0.09 6.23 5.19 0.19 -1.37 116.42 127.38 2wpr h ASP 518 Ca 0.25 -0.11 -0.21 0.00 -0.62 0.00 0.00 57.03 56.34 2wpr h ASP 518 Cb 0.23 -0.06 0.02 0.00 0.18 0.00 0.00 39.33 39.70 2wpr h ASP 518 CO -0.22 0.69 -0.88 0.77 -3.12 0.00 0.00 179.24 176.48 2wpr h SER 519 N 0.15 0.63 -0.18 6.45 4.64 -1.17 -2.91 113.55 121.16 2wpr h SER 519 Ca 0.00 -0.85 0.04 0.00 -0.47 0.00 0.00 61.79 60.51 2wpr h SER 519 Cb 0.97 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.83 2wpr h SER 519 CO 0.08 1.41 -0.04 0.40 -0.87 0.00 0.00 176.83 177.80 2wpr h ILE 520 N -0.07 0.83 -0.72 0.95 5.03 -1.36 -2.07 117.51 120.09 2wpr h ILE 520 Ca -0.14 -0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.67 2wpr h ILE 520 Cb 1.62 0.82 -0.10 0.00 -3.03 0.00 0.00 36.82 36.13 2wpr h ILE 520 CO 0.17 0.00 -0.56 0.74 -0.68 0.00 0.00 178.15 177.82 2wpr h THR 521 N 0.00 0.00 -0.08 -0.27 2.02 -1.25 -1.87 112.91 111.46 2wpr h THR 521 Ca 0.09 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.10 2wpr h THR 521 Cb 0.13 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 2wpr h THR 521 CO -0.18 0.00 -0.68 0.71 0.37 0.00 0.00 175.52 175.74 2wpr h THR 522 N -0.16 1.39 -0.01 3.16 1.35 -1.47 -2.07 112.91 115.10 2wpr h THR 522 Ca 0.12 -2.09 -0.00 0.00 -0.55 0.00 0.00 66.41 63.89 2wpr h THR 522 Cb 0.47 2.07 -0.00 0.00 -1.73 0.00 0.00 68.15 68.96 2wpr h THR 522 CO -0.77 0.62 0.00 -0.07 -0.25 0.00 0.00 175.52 175.06 2wpr h LEU 523 N 0.24 0.02 -0.50 3.87 -0.00 -0.82 -2.12 115.31 116.00 2wpr h LEU 523 Ca -0.02 -0.27 -0.02 0.00 -0.00 0.00 0.00 57.88 57.57 2wpr h LEU 523 Cb 1.23 -0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.86 2wpr h LEU 523 CO 0.11 0.28 0.23 0.24 -0.00 0.00 0.00 178.44 179.31 2wpr h MET 524 N -0.25 0.72 -0.77 1.13 2.86 -1.36 0.20 114.93 117.46 2wpr h MET 524 Ca 0.00 -0.11 0.14 0.00 -2.06 0.00 0.00 59.70 57.68 2wpr h MET 524 Cb 0.27 -0.13 -0.14 0.00 0.06 0.00 0.00 31.60 31.66 2wpr h MET 524 CO 0.00 0.61 -0.26 -0.22 1.06 0.00 0.00 176.91 178.09 2wpr h LYS 525 N 0.66 -0.04 -0.29 1.72 1.63 -1.30 0.19 116.57 119.13 2wpr h LYS 525 Ca 0.17 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.84 2wpr h LYS 525 Cb 0.13 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 2wpr h LYS 525 CO -0.02 -0.03 -0.37 1.96 -3.45 0.00 0.00 179.45 177.54 2wpr h GLN 526 N -0.05 0.66 0.36 1.90 4.20 -0.51 -2.02 115.11 119.66 2wpr h GLN 526 Ca 0.34 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2wpr h GLN 526 Cb 0.58 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2wpr h GLN 526 CO -0.81 0.93 -0.17 0.82 -0.67 0.00 0.00 178.83 178.93 2wpr h ILE 527 N 0.55 0.64 -1.30 2.54 2.04 -0.26 -2.63 117.51 119.09 2wpr h ILE 527 Ca 0.05 -0.46 0.38 0.00 1.00 0.00 0.00 64.86 65.83 2wpr h ILE 527 Cb 0.88 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.77 2wpr h ILE 527 CO 0.08 0.09 0.93 -0.33 0.00 0.00 0.00 178.15 178.92 2wpr h GLU 528 N -0.74 0.02 0.05 2.37 5.08 -0.62 0.12 114.58 120.85 2wpr h GLU 528 Ca -0.05 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2wpr h GLU 528 Cb 0.51 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2wpr h GLU 528 CO 0.08 0.01 -0.02 -0.44 -1.00 0.00 0.00 179.01 177.64 2wpr h ASP 529 N 0.02 -0.06 -0.71 1.42 3.32 -1.25 -1.37 116.42 117.79 2wpr h ASP 529 Ca 0.63 -0.43 0.01 0.00 0.02 0.00 0.00 57.03 57.26 2wpr h ASP 529 Cb 2.47 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 41.99 2wpr h ASP 529 CO -0.03 0.41 0.47 0.50 -1.72 0.00 0.00 179.24 178.87 2wpr h LYS 530 N -0.54 0.92 -0.33 3.56 1.63 -0.49 -1.09 116.57 120.22 2wpr h LYS 530 Ca -0.01 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 2wpr h LYS 530 Cb 0.48 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 2wpr h LYS 530 CO 0.01 0.61 0.09 0.82 -3.45 0.00 0.00 179.45 177.53 2wpr h ILE 531 N 0.94 1.15 -0.51 2.00 2.04 -1.06 0.14 117.51 122.22 2wpr h ILE 531 Ca 0.27 -0.53 0.04 0.00 1.00 0.00 0.00 64.86 65.64 2wpr h ILE 531 Cb -0.08 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2wpr h ILE 531 CO -0.07 0.19 0.34 -0.33 0.00 0.00 0.00 178.15 178.28 2wpr h GLU 532 N 0.47 0.54 0.06 2.37 4.39 -0.03 -1.41 114.58 120.97 2wpr h GLU 532 Ca 0.11 -0.03 -0.30 0.00 0.34 0.00 0.00 59.36 59.48 2wpr h GLU 532 Cb 0.17 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 2wpr h GLU 532 CO -0.01 0.35 -1.63 0.39 -1.16 0.00 0.00 179.01 176.96 2wpr n GLU 533 N -4.47 0.65 -0.34 2.33 1.02 -0.74 -3.63 120.64 115.46 2wpr n GLU 533 Ca 0.06 0.43 0.23 0.00 -0.02 0.00 0.00 57.16 57.86 2wpr n GLU 533 Cb 0.17 -1.72 0.49 0.00 -0.02 0.00 0.00 31.44 30.35 2wpr n GLU 533 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2wpr h ILE 534 N -0.52 0.49 0.00 -3.67 2.04 -0.77 -0.50 117.51 114.58 2wpr h ILE 534 Ca -0.39 -0.14 -0.10 0.00 1.00 0.00 0.00 64.86 65.22 2wpr h ILE 534 Cb 1.64 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2wpr h ILE 534 CO -0.08 0.07 -0.50 -0.07 0.00 0.00 0.00 178.15 177.57 2wpr h LEU 535 N 0.41 0.00 0.35 1.44 3.38 -1.36 -2.58 115.31 116.95 2wpr h LEU 535 Ca 0.63 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.58 2wpr h LEU 535 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 2wpr h LEU 535 CO -0.36 0.50 -0.17 -1.28 0.09 0.00 0.00 178.44 177.22 2wpr h SER 536 N 0.00 -0.39 -0.85 -0.43 0.87 -1.18 -2.56 113.55 109.01 2wpr h SER 536 Ca -0.00 -0.16 0.19 0.00 -1.23 0.00 0.00 61.79 60.59 2wpr h SER 536 Cb 1.12 0.10 -0.16 0.00 -0.44 0.00 0.00 62.40 63.02 2wpr h SER 536 CO 0.06 0.02 -0.08 0.11 -0.53 0.00 0.00 176.83 176.42 2wpr h LYS 537 N -0.90 0.04 -0.53 2.24 1.57 -1.37 -1.27 116.57 116.36 2wpr h LYS 537 Ca -0.05 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 2wpr h LYS 537 Cb 0.53 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2wpr h LYS 537 CO 0.08 0.03 0.17 0.82 -0.57 0.00 0.00 179.45 179.98 2wpr h ILE 538 N 0.04 1.23 -0.08 1.86 2.04 -1.46 0.56 117.51 121.71 2wpr h ILE 538 Ca 0.45 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.59 2wpr h ILE 538 Cb 0.79 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 2wpr h ILE 538 CO -0.81 0.28 -0.25 0.22 0.00 0.00 0.00 178.15 177.59 2wpr h TYR 539 N 0.72 -0.68 0.00 1.37 3.20 -0.83 -1.97 116.97 118.78 2wpr h TYR 539 Ca 0.17 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 2wpr h TYR 539 Cb 0.26 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 2wpr h TYR 539 CO 0.01 -0.34 -0.22 1.25 -1.64 0.00 0.00 178.16 177.23 2wpr h HIS 540 N -0.35 0.00 -0.22 -3.82 2.76 -0.87 0.28 115.15 112.94 2wpr h HIS 540 Ca 0.09 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.12 2wpr h HIS 540 Cb 0.47 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.42 2wpr h HIS 540 CO -0.33 0.22 -0.41 0.82 -1.30 0.00 0.00 177.93 176.93 2wpr h ILE 541 N 0.00 1.30 0.00 6.26 2.04 -0.62 -3.09 117.51 123.41 2wpr h ILE 541 Ca -0.00 -1.58 -0.09 0.00 1.00 0.00 0.00 64.86 64.19 2wpr h ILE 541 Cb 0.49 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 2wpr h ILE 541 CO 0.03 0.49 -0.42 -0.33 0.00 0.00 0.00 178.15 177.92 2wpr h GLU 542 N 0.42 0.00 -0.21 2.37 5.08 0.29 -1.54 114.58 121.00 2wpr h GLU 542 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2wpr h GLU 542 Cb 0.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2wpr h GLU 542 CO 0.08 0.42 0.14 -0.91 -1.00 0.00 0.00 179.01 177.74 2wpr h ASN 543 N 0.00 0.24 0.90 1.42 2.35 -1.30 -1.25 115.58 117.94 2wpr h ASN 543 Ca -0.00 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.57 2wpr h ASN 543 Cb 0.78 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.06 2wpr h ASN 543 CO 0.06 0.18 -0.76 -0.33 -1.65 0.00 0.00 177.43 174.93 2wpr h GLU 544 N 0.28 0.00 -0.29 0.81 5.08 -1.43 -2.36 114.58 116.66 2wpr h GLU 544 Ca 0.08 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 2wpr h GLU 544 Cb -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2wpr h GLU 544 CO -0.02 0.76 -0.44 0.82 -1.00 0.00 0.00 179.01 179.13 2wpr h ILE 545 N 0.00 1.29 0.04 3.13 2.04 -1.16 0.10 117.51 122.96 2wpr h ILE 545 Ca -0.01 -1.62 0.03 0.00 1.00 0.00 0.00 64.86 64.25 2wpr h ILE 545 Cb 1.42 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 38.97 2wpr h ILE 545 CO 0.10 0.53 -0.43 0.00 0.00 0.00 0.00 178.15 178.34 2wpr h ALA 546 N 0.91 -0.72 -0.22 1.87 0.00 -1.17 -1.96 119.26 117.97 2wpr h ALA 546 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2wpr h ALA 546 Cb 1.00 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2wpr h ALA 546 CO 0.09 -0.98 -0.05 -0.09 0.00 0.00 0.00 179.25 178.23 2wpr h ARG 547 N -0.61 0.34 -0.33 0.00 1.12 -1.17 -1.60 114.38 112.12 2wpr h ARG 547 Ca 0.04 -0.07 -0.08 0.00 -1.11 0.00 0.00 59.98 58.76 2wpr h ARG 547 Cb 0.67 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.57 2wpr h ARG 547 CO -0.30 0.40 -0.11 0.82 -3.11 0.00 0.00 179.97 177.68 2wpr h ILE 548 N 0.33 1.28 0.00 1.20 2.04 -0.65 -2.53 117.51 119.18 2wpr h ILE 548 Ca 0.07 -1.19 -0.06 0.00 1.00 0.00 0.00 64.86 64.68 2wpr h ILE 548 Cb 0.30 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 2wpr h ILE 548 CO 0.01 0.39 -0.28 0.11 0.00 0.00 0.00 178.15 178.38 2wpr h LYS 549 N 0.43 0.00 0.00 2.37 1.57 -0.72 -2.22 116.57 118.00 2wpr h LYS 549 Ca 0.08 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 2wpr h LYS 549 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2wpr h LYS 549 CO 0.04 0.28 -0.48 -0.22 -0.57 0.00 0.00 179.45 178.50 2wpr h LYS 550 N 0.00 0.00 0.13 3.15 3.64 -1.22 -3.10 116.57 119.18 2wpr h LYS 550 Ca -0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 2wpr h LYS 550 Cb 0.50 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.35 2wpr h LYS 550 CO 0.04 0.48 -1.18 -0.07 -2.27 0.00 0.00 179.45 176.45 2wpr h LEU 551 N 0.00 0.80 -0.97 5.20 4.07 -1.09 -3.27 115.31 120.05 2wpr h LEU 551 Ca -0.00 -0.85 0.16 0.00 0.08 0.00 0.00 57.88 57.27 2wpr h LEU 551 Cb 1.26 -0.25 -0.10 0.00 1.08 0.00 0.00 40.66 42.65 2wpr h LEU 551 CO 0.06 1.57 0.58 0.40 -1.08 0.00 0.00 178.44 179.98 2wpr h ILE 552 N 0.15 0.78 -0.00 1.22 2.04 -1.45 -3.52 117.51 116.73 2wpr h ILE 552 Ca -0.19 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.40 2wpr h ILE 552 Cb 1.87 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2wpr h ILE 552 CO 0.22 0.15 0.00 2.29 0.00 0.00 0.00 178.15 180.81