#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 0.37 -0.13 0.38 3.07 -2.05 0.31 114.58 116.53 2wpr h GLU 458 Ca 0.00 -0.02 -0.23 0.00 -0.50 0.00 0.00 59.36 58.61 2wpr h GLU 458 Cb 0.00 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 27.84 2wpr h GLU 458 CO 0.00 0.24 -0.81 -0.44 -1.40 0.00 0.00 179.01 176.60 2wpr h ASP 459 N 0.38 0.94 -0.58 1.42 5.19 -2.05 -2.07 116.42 119.64 2wpr h ASP 459 Ca 0.60 -0.65 0.12 0.00 -0.62 0.00 0.00 57.03 56.48 2wpr h ASP 459 Cb 1.56 -0.28 -0.10 0.00 0.18 0.00 0.00 39.33 40.69 2wpr h ASP 459 CO -0.30 1.44 0.01 0.50 -3.12 0.00 0.00 179.24 177.76 2wpr h LYS 460 N 0.50 0.12 0.36 3.56 3.64 -1.51 -1.11 116.57 122.14 2wpr h LYS 460 Ca -0.07 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2wpr h LYS 460 Cb 1.45 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 2wpr h LYS 460 CO 0.17 0.08 -0.17 0.82 -2.27 0.00 0.00 179.45 178.07 2wpr h ILE 461 N 0.12 0.66 -0.36 2.00 1.08 -0.38 -2.07 117.51 118.57 2wpr h ILE 461 Ca 0.30 -0.18 0.08 0.00 -0.39 0.00 0.00 64.86 64.66 2wpr h ILE 461 Cb 0.47 0.76 -0.09 0.00 -3.07 0.00 0.00 36.82 34.90 2wpr h ILE 461 CO -0.49 0.04 -0.30 -0.08 -0.69 0.00 0.00 178.15 176.63 2wpr h GLU 462 N -0.58 -0.24 0.03 2.37 4.22 -1.19 0.18 114.58 119.37 2wpr h GLU 462 Ca -0.05 0.02 0.01 0.00 0.08 0.00 0.00 59.36 59.42 2wpr h GLU 462 Cb 0.43 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2wpr h GLU 462 CO 0.08 -0.16 -0.41 1.49 -2.18 0.00 0.00 179.01 177.83 2wpr h GLU 463 N -0.25 -0.51 -0.99 1.92 4.81 -1.20 -0.83 114.58 117.52 2wpr h GLU 463 Ca 0.17 0.04 0.27 0.00 -0.13 0.00 0.00 59.36 59.71 2wpr h GLU 463 Cb 0.52 0.12 -0.18 0.00 0.63 0.00 0.00 28.75 29.83 2wpr h GLU 463 CO -0.50 -0.34 0.03 0.82 -0.73 0.00 0.00 179.01 178.29 2wpr h ILE 464 N -0.53 0.01 -0.58 2.32 2.04 -0.63 0.15 117.51 120.29 2wpr h ILE 464 Ca 0.01 -0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.81 2wpr h ILE 464 Cb 0.56 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2wpr h ILE 464 CO -0.26 0.00 0.13 -0.07 0.00 0.00 0.00 178.15 177.95 2wpr h LEU 465 N 0.01 0.84 0.54 1.44 3.38 0.68 -2.13 115.31 120.07 2wpr h LEU 465 Ca 0.61 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.39 2wpr h LEU 465 Cb 1.25 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.79 2wpr h LEU 465 CO -0.93 0.83 -0.26 0.28 0.09 0.00 0.00 178.44 178.45 2wpr h SER 466 N 0.86 -0.61 -0.81 -0.43 0.02 0.32 -1.29 113.55 111.61 2wpr h SER 466 Ca 0.19 -0.04 0.20 0.00 -0.84 0.00 0.00 61.79 61.30 2wpr h SER 466 Cb 0.32 0.16 -0.14 0.00 0.14 0.00 0.00 62.40 62.88 2wpr h SER 466 CO 0.00 -0.33 0.06 0.11 -1.14 0.00 0.00 176.83 175.54 2wpr h LYS 467 N -0.89 0.12 -0.91 3.45 1.57 -1.06 0.06 116.57 118.90 2wpr h LYS 467 Ca -0.07 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2wpr h LYS 467 Cb 0.62 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 2wpr h LYS 467 CO 0.12 0.08 0.53 0.82 -0.57 0.00 0.00 179.45 180.43 2wpr h ILE 468 N 0.12 1.25 -0.24 1.86 2.04 -1.14 -0.93 117.51 120.48 2wpr h ILE 468 Ca 0.47 -0.58 -0.14 0.00 1.00 0.00 0.00 64.86 65.61 2wpr h ILE 468 Cb 0.87 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2wpr h ILE 468 CO -0.69 0.27 -0.42 0.22 0.00 0.00 0.00 178.15 177.53 2wpr h TYR 469 N 1.26 0.68 -0.44 1.37 3.20 0.17 -1.47 116.97 121.74 2wpr h TYR 469 Ca 0.32 -0.20 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 2wpr h TYR 469 Cb -0.03 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 2wpr h TYR 469 CO 0.01 0.89 0.15 1.25 -1.64 0.00 0.00 178.16 178.82 2wpr h HIS 470 N 0.46 0.69 0.48 -3.82 2.76 -0.93 -2.85 115.15 111.95 2wpr h HIS 470 Ca 0.04 -0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 2wpr h HIS 470 Cb 0.92 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.68 2wpr h HIS 470 CO 0.04 0.61 -0.26 0.82 -1.30 0.00 0.00 177.93 177.84 2wpr h ILE 471 N 0.57 0.46 -0.07 6.26 2.04 -1.01 -2.04 117.51 123.71 2wpr h ILE 471 Ca 0.14 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.02 2wpr h ILE 471 Cb 0.24 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2wpr h ILE 471 CO -0.01 0.00 0.09 1.05 0.00 0.00 0.00 178.15 179.28 2wpr h GLU 472 N -0.69 0.00 0.07 2.37 4.11 -1.24 0.15 114.58 119.35 2wpr h GLU 472 Ca -0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.37 2wpr h GLU 472 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2wpr h GLU 472 CO 0.08 0.00 -0.03 -0.91 0.07 0.00 0.00 179.01 178.21 2wpr h ASN 473 N 0.00 -0.08 -0.61 3.06 2.35 -1.29 -2.16 115.58 116.84 2wpr h ASN 473 Ca 0.03 -0.32 0.12 0.00 -0.55 0.00 0.00 56.30 55.58 2wpr h ASN 473 Cb 0.21 0.02 -0.12 0.00 0.05 0.00 0.00 38.32 38.49 2wpr h ASN 473 CO -0.00 0.29 -0.17 -0.33 -1.65 0.00 0.00 177.43 175.57 2wpr h GLU 474 N -0.46 -0.01 -0.01 0.81 5.08 -0.02 -1.26 114.58 118.70 2wpr h GLU 474 Ca -0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2wpr h GLU 474 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2wpr h GLU 474 CO 0.02 -0.01 -0.25 0.82 -1.00 0.00 0.00 179.01 178.59 2wpr h ILE 475 N -0.02 1.18 -0.32 3.13 2.04 -1.17 -2.01 117.51 120.35 2wpr h ILE 475 Ca 0.29 -0.86 0.06 0.00 1.00 0.00 0.00 64.86 65.35 2wpr h ILE 475 Cb 0.46 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 2wpr h ILE 475 CO -0.64 0.25 -0.05 0.00 0.00 0.00 0.00 178.15 177.71 2wpr h ALA 476 N 1.74 0.24 -0.14 1.87 0.00 -0.55 -1.01 119.26 121.42 2wpr h ALA 476 Ca -0.00 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2wpr h ALA 476 Cb 0.44 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2wpr h ALA 476 CO 0.03 -0.44 -0.30 0.00 0.00 0.00 0.00 179.25 178.54 2wpr h ARG 477 N 0.03 0.26 0.05 0.00 3.08 -1.12 -3.14 114.38 113.54 2wpr h ARG 477 Ca 0.15 -0.10 -0.24 0.00 0.07 0.00 0.00 59.98 59.87 2wpr h ARG 477 Cb 0.23 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2wpr h ARG 477 CO -0.30 0.54 -1.04 0.82 -1.07 0.00 0.00 179.97 178.92 2wpr h ILE 478 N 0.23 1.45 -1.35 2.04 2.04 -1.23 -2.78 117.51 117.91 2wpr h ILE 478 Ca 0.03 -2.67 0.39 0.00 1.00 0.00 0.00 64.86 63.61 2wpr h ILE 478 Cb 0.65 2.60 -0.05 0.00 -0.74 0.00 0.00 36.82 39.28 2wpr h ILE 478 CO 0.05 0.79 1.02 0.11 0.00 0.00 0.00 178.15 180.11 2wpr h LYS 479 N 0.16 0.00 0.00 2.37 1.79 -1.13 -2.07 116.57 117.69 2wpr h LYS 479 Ca -0.09 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 2wpr h LYS 479 Cb 1.70 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.35 2wpr h LYS 479 CO 0.17 0.00 -0.08 0.87 -1.08 0.00 0.00 179.45 179.34 2wpr h LYS 480 N 0.00 0.00 0.00 3.15 1.57 -1.54 -3.00 116.57 116.75 2wpr h LYS 480 Ca 0.64 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.36 2wpr h LYS 480 Cb 2.67 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.97 2wpr h LYS 480 CO -0.01 0.08 -0.28 -0.07 -0.57 0.00 0.00 179.45 178.60 2wpr h LEU 481 N 0.00 0.00 -1.77 2.94 4.07 -1.55 -3.17 115.31 115.83 2wpr h LEU 481 Ca -0.00 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.10 2wpr h LEU 481 Cb 0.17 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.88 2wpr h LEU 481 CO 0.01 0.28 0.43 0.40 -1.08 0.00 0.00 178.44 178.48 2wpr h ILE 482 N 0.00 0.79 0.18 1.22 2.04 -1.70 0.20 117.51 120.24 2wpr h ILE 482 Ca -0.00 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2wpr h ILE 482 Cb 0.97 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2wpr h ILE 482 CO 0.04 0.04 -0.09 -0.08 0.00 0.00 0.00 178.15 178.06 2wpr h GLU 483 N 0.24 -0.23 -0.52 2.37 4.57 -1.75 -3.21 114.58 116.05 2wpr h GLU 483 Ca 0.30 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.59 2wpr h GLU 483 Cb 0.84 0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 29.40 2wpr h GLU 483 CO -0.06 0.02 0.04 0.87 -1.18 0.00 0.00 179.01 178.70 2wpr h LYS 484 N -1.01 0.16 -0.58 1.92 1.57 -1.48 0.83 116.57 117.98 2wpr h LYS 484 Ca -0.02 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2wpr h LYS 484 Cb 0.36 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 2wpr h LYS 484 CO 0.04 0.11 0.21 0.28 -0.57 0.00 0.00 179.45 179.51 2wpr h VAL 485 N 0.17 1.21 -0.40 0.50 2.07 -0.80 -0.86 116.25 118.13 2wpr h VAL 485 Ca 0.26 -0.70 -0.11 0.00 0.82 0.00 0.00 66.70 66.97 2wpr h VAL 485 Cb 0.39 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2wpr h VAL 485 CO -0.40 0.27 -0.18 0.44 0.02 0.00 0.00 177.57 177.73 2wpr h ASP 486 N 0.83 0.86 -0.25 0.57 3.32 -1.19 -2.09 116.42 118.46 2wpr h ASP 486 Ca 0.19 -0.40 0.01 0.00 0.02 0.00 0.00 57.03 56.86 2wpr h ASP 486 Cb 0.20 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2wpr h ASP 486 CO -0.01 1.07 0.13 1.56 -1.72 0.00 0.00 179.24 180.26 2wpr h GLN 487 N 0.65 0.27 -0.58 3.56 4.20 -0.80 -2.67 115.11 119.74 2wpr h GLN 487 Ca 0.09 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2wpr h GLN 487 Cb 0.73 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.43 2wpr h GLN 487 CO 0.06 0.18 0.32 -0.91 -0.67 0.00 0.00 178.83 177.80 2wpr h ASN 488 N 0.28 0.73 -0.85 1.46 4.21 -1.02 -1.65 115.58 118.73 2wpr h ASN 488 Ca 0.10 -0.10 -0.01 0.00 1.21 0.00 0.00 56.30 57.51 2wpr h ASN 488 Cb 0.02 -0.19 -0.04 0.00 -1.12 0.00 0.00 38.32 36.99 2wpr h ASN 488 CO -0.06 0.61 0.49 0.74 -1.29 0.00 0.00 177.43 177.92 2wpr h THR 489 N 0.79 1.24 -0.62 2.81 2.02 -1.38 0.80 112.91 118.57 2wpr h THR 489 Ca 0.20 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.83 2wpr h THR 489 Cb 0.05 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.51 2wpr h THR 489 CO -0.03 0.26 0.40 0.00 0.37 0.00 0.00 175.52 176.53 2wpr h ALA 490 N 1.26 0.80 -0.61 6.16 0.00 -1.10 -2.09 119.26 123.68 2wpr h ALA 490 Ca 0.30 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 2wpr h ALA 490 Cb -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2wpr h ALA 490 CO -0.05 0.19 0.06 -0.44 0.00 0.00 0.00 179.25 179.01 2wpr h ASP 491 N 0.82 1.01 -0.76 0.00 3.32 -0.81 -1.60 116.42 118.40 2wpr h ASP 491 Ca 0.24 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 2wpr h ASP 491 Cb -0.06 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.19 2wpr h ASP 491 CO -0.07 1.04 0.41 0.40 -1.72 0.00 0.00 179.24 179.30 2wpr h ILE 492 N 0.95 1.23 -0.49 0.35 2.04 -0.46 0.70 117.51 121.83 2wpr h ILE 492 Ca 0.18 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.50 2wpr h ILE 492 Cb 0.48 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 2wpr h ILE 492 CO 0.02 0.26 0.27 0.74 0.00 0.00 0.00 178.15 179.43 2wpr h THR 493 N 1.05 1.01 0.18 -0.27 2.02 -1.23 0.15 112.91 115.81 2wpr h THR 493 Ca 0.27 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 2wpr h THR 493 Cb 0.04 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 2wpr h THR 493 CO -0.04 0.10 -0.09 0.74 0.37 0.00 0.00 175.52 176.60 2wpr h THR 494 N 0.53 0.84 -0.98 3.16 2.02 -0.60 0.34 112.91 118.23 2wpr h THR 494 Ca 0.20 -0.09 0.21 0.00 0.77 0.00 0.00 66.41 67.51 2wpr h THR 494 Cb 0.07 0.90 -0.09 0.00 -1.74 0.00 0.00 68.15 67.29 2wpr h THR 494 CO -0.12 0.02 0.62 0.78 0.37 0.00 0.00 175.52 177.19 2wpr h ASN 495 N -0.28 0.56 -0.22 4.18 4.21 -0.79 -1.93 115.58 121.31 2wpr h ASN 495 Ca -0.02 0.07 -0.19 0.00 1.21 0.00 0.00 56.30 57.37 2wpr h ASN 495 Cb 0.22 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.39 2wpr h ASN 495 CO 0.04 0.19 -0.59 0.74 -1.29 0.00 0.00 177.43 176.52 2wpr h THR 496 N 0.54 1.28 0.26 2.81 2.02 -0.17 -1.92 112.91 117.74 2wpr h THR 496 Ca 0.54 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.94 2wpr h THR 496 Cb 1.14 1.70 -0.04 0.00 -1.74 0.00 0.00 68.15 69.22 2wpr h THR 496 CO -0.28 0.58 -0.48 0.78 0.37 0.00 0.00 175.52 176.48 2wpr h ASN 497 N 0.62 -1.38 -0.68 4.18 2.35 -0.50 -2.55 115.58 117.62 2wpr h ASN 497 Ca 0.00 0.13 0.14 0.00 -0.55 0.00 0.00 56.30 56.03 2wpr h ASN 497 Cb 1.19 0.49 -0.11 0.00 0.05 0.00 0.00 38.32 39.95 2wpr h ASN 497 CO 0.13 -0.57 0.08 0.28 -1.65 0.00 0.00 177.43 175.69 2wpr h SER 498 N -0.81 -0.16 0.08 5.81 0.02 -1.36 -1.57 113.55 115.56 2wpr h SER 498 Ca -0.02 0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2wpr h SER 498 Cb 0.77 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 2wpr h SER 498 CO -0.19 -0.09 -0.19 0.40 -1.14 0.00 0.00 176.83 175.63 2wpr h ILE 499 N 0.18 0.56 -0.55 3.27 2.04 -1.23 -1.72 117.51 120.07 2wpr h ILE 499 Ca 0.37 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.29 2wpr h ILE 499 Cb 0.61 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2wpr h ILE 499 CO -0.53 0.00 0.37 0.78 0.00 0.00 0.00 178.15 178.77 2wpr h ASN 500 N -0.35 0.42 0.74 1.72 2.35 -0.89 0.24 115.58 119.81 2wpr h ASN 500 Ca 0.03 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 2wpr h ASN 500 Cb 0.38 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.67 2wpr h ASN 500 CO -0.12 0.27 -0.35 -0.61 -1.65 0.00 0.00 177.43 174.97 2wpr h GLN 501 N 0.48 -0.95 -0.91 0.81 5.75 -1.09 -2.24 115.11 116.95 2wpr h GLN 501 Ca 0.24 0.07 0.24 0.00 -0.15 0.00 0.00 58.65 59.05 2wpr h GLN 501 Cb 0.33 0.22 -0.13 0.00 1.07 0.00 0.00 27.48 28.97 2wpr h GLN 501 CO -0.07 -0.63 0.38 -0.91 -2.65 0.00 0.00 178.83 174.96 2wpr h ASN 502 N -1.23 0.27 -0.52 -0.69 4.21 -0.37 -1.26 115.58 115.99 2wpr h ASN 502 Ca -0.10 0.17 0.08 0.00 1.21 0.00 0.00 56.30 57.66 2wpr h ASN 502 Cb 0.77 0.17 -0.06 0.00 -1.12 0.00 0.00 38.32 38.08 2wpr h ASN 502 CO 0.17 -0.07 0.18 0.74 -1.29 0.00 0.00 177.43 177.16 2wpr h THR 503 N 0.34 0.80 -0.86 2.81 2.02 -0.40 -0.42 112.91 117.20 2wpr h THR 503 Ca 0.59 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.67 2wpr h THR 503 Cb 1.18 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 67.97 2wpr h THR 503 CO -0.58 0.06 0.56 0.74 0.37 0.00 0.00 175.52 176.67 2wpr h THR 504 N 0.35 1.16 0.03 3.16 2.02 -0.62 -2.06 112.91 116.95 2wpr h THR 504 Ca 0.25 -0.38 -0.22 0.00 0.77 0.00 0.00 66.41 66.83 2wpr h THR 504 Cb 0.29 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 2wpr h THR 504 CO -0.27 0.20 -0.99 0.44 0.37 0.00 0.00 175.52 175.28 2wpr h ASP 505 N 1.10 0.35 -0.73 4.18 5.19 -0.88 0.15 116.42 125.78 2wpr h ASP 505 Ca 0.33 -0.31 0.08 0.00 -0.62 0.00 0.00 57.03 56.52 2wpr h ASP 505 Cb -0.04 -0.11 -0.05 0.00 0.18 0.00 0.00 39.33 39.31 2wpr h ASP 505 CO -0.10 1.15 0.48 0.40 -3.12 0.00 0.00 179.24 178.05 2wpr h ILE 506 N 0.12 0.98 -0.21 0.35 2.04 -1.12 -1.19 117.51 118.49 2wpr h ILE 506 Ca -0.07 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 2wpr h ILE 506 Cb 1.65 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2wpr h ILE 506 CO 0.16 0.13 -0.08 0.00 0.00 0.00 0.00 178.15 178.36 2wpr h ALA 507 N 1.62 0.29 -0.74 1.87 0.00 -0.28 0.14 119.26 122.16 2wpr h ALA 507 Ca 0.33 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2wpr h ALA 507 Cb 0.37 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2wpr h ALA 507 CO -0.11 0.10 0.24 1.15 0.00 0.00 0.00 179.25 180.62 2wpr h THR 508 N 0.13 1.26 -0.19 0.00 2.02 -0.68 -0.89 112.91 114.56 2wpr h THR 508 Ca 0.05 -0.90 -0.06 0.00 0.77 0.00 0.00 66.41 66.27 2wpr h THR 508 Cb 0.55 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2wpr h THR 508 CO 0.03 0.35 -0.12 0.78 0.37 0.00 0.00 175.52 176.93 2wpr h ASN 509 N 1.10 0.44 -0.43 4.18 2.35 -1.19 -2.74 115.58 119.29 2wpr h ASN 509 Ca 0.24 -0.43 0.08 0.00 -0.55 0.00 0.00 56.30 55.64 2wpr h ASN 509 Cb 0.30 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.47 2wpr h ASN 509 CO -0.01 0.77 -0.01 0.74 -1.65 0.00 0.00 177.43 177.28 2wpr h THR 510 N 0.11 0.66 -0.91 2.81 2.02 -0.54 -1.39 112.91 115.67 2wpr h THR 510 Ca 0.04 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.23 2wpr h THR 510 Cb 0.62 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 2wpr h THR 510 CO 0.03 0.02 0.59 0.74 0.37 0.00 0.00 175.52 177.27 2wpr h THR 511 N 0.10 1.12 -0.06 3.16 2.02 -1.09 -1.85 112.91 116.31 2wpr h THR 511 Ca 0.21 -0.38 -0.12 0.00 0.77 0.00 0.00 66.41 66.89 2wpr h THR 511 Cb 0.31 -0.07 0.01 0.00 -1.74 0.00 0.00 68.15 66.66 2wpr h THR 511 CO -0.36 0.20 -0.44 0.78 0.37 0.00 0.00 175.52 176.07 2wpr h ASN 512 N 1.10 0.50 -0.87 4.18 2.35 -1.16 -0.14 115.58 121.54 2wpr h ASN 512 Ca 0.37 -0.67 0.11 0.00 -0.55 0.00 0.00 56.30 55.56 2wpr h ASN 512 Cb 0.08 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.24 2wpr h ASN 512 CO -0.12 1.09 0.56 0.40 -1.65 0.00 0.00 177.43 177.71 2wpr h ILE 513 N -0.06 0.91 -0.27 2.81 2.04 -0.97 0.90 117.51 122.86 2wpr h ILE 513 Ca -0.04 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.46 2wpr h ILE 513 Cb 1.10 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2wpr h ILE 513 CO 0.09 0.14 -0.20 0.78 0.00 0.00 0.00 178.15 178.96 2wpr h ASN 514 N 0.77 0.65 -0.05 1.72 2.35 -1.29 -2.39 115.58 117.34 2wpr h ASN 514 Ca 0.41 -0.45 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 2wpr h ASN 514 Cb 0.53 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 2wpr h ASN 514 CO -0.18 0.96 -0.08 0.78 -1.65 0.00 0.00 177.43 177.26 2wpr h ASN 515 N 0.35 0.16 -0.10 5.81 2.35 -0.06 -2.37 115.58 121.71 2wpr h ASN 515 Ca 0.05 -0.53 0.04 0.00 -0.55 0.00 0.00 56.30 55.31 2wpr h ASN 515 Cb 0.75 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 39.03 2wpr h ASN 515 CO 0.05 0.66 -0.15 0.25 -1.65 0.00 0.00 177.43 176.59 2wpr h LEU 516 N -0.34 -0.47 -0.72 1.61 5.85 0.64 -1.40 115.31 120.49 2wpr h LEU 516 Ca 0.01 0.08 0.13 0.00 0.84 0.00 0.00 57.88 58.94 2wpr h LEU 516 Cb 0.62 0.22 -0.09 0.00 0.37 0.00 0.00 40.66 41.78 2wpr h LEU 516 CO 0.02 -0.20 0.28 -1.28 -0.34 0.00 0.00 178.44 176.92 2wpr h SER 517 N -0.20 0.27 0.39 1.25 0.87 -1.52 -1.31 113.55 113.30 2wpr h SER 517 Ca 0.09 0.10 -0.14 0.00 -1.23 0.00 0.00 61.79 60.61 2wpr h SER 517 Cb 0.33 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2wpr h SER 517 CO -0.22 0.11 -0.59 0.44 -0.53 0.00 0.00 176.83 176.04 2wpr h ASP 518 N 0.44 0.23 0.18 6.23 3.32 -0.82 -1.47 116.42 124.54 2wpr h ASP 518 Ca 0.39 -0.13 -0.30 0.00 0.02 0.00 0.00 57.03 57.01 2wpr h ASP 518 Cb 0.56 -0.07 0.03 0.00 0.22 0.00 0.00 39.33 40.08 2wpr h ASP 518 CO -0.38 0.77 -1.30 0.77 -1.72 0.00 0.00 179.24 177.38 2wpr h SER 519 N 0.15 0.82 0.06 6.45 4.64 -0.97 -2.79 113.55 121.92 2wpr h SER 519 Ca -0.00 -0.88 0.03 0.00 -0.47 0.00 0.00 61.79 60.46 2wpr h SER 519 Cb 1.08 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.87 2wpr h SER 519 CO 0.09 1.63 -0.29 0.40 -0.87 0.00 0.00 176.83 177.79 2wpr h ILE 520 N 0.15 0.37 -0.77 0.95 5.03 -1.24 -2.19 117.51 119.80 2wpr h ILE 520 Ca -0.21 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.60 2wpr h ILE 520 Cb 1.99 0.37 -0.11 0.00 -3.03 0.00 0.00 36.82 36.04 2wpr h ILE 520 CO 0.25 0.00 -0.56 0.74 -0.68 0.00 0.00 178.15 177.89 2wpr h THR 521 N -0.47 0.01 -0.01 -0.27 2.02 -1.23 -1.38 112.91 111.57 2wpr h THR 521 Ca 0.05 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.10 2wpr h THR 521 Cb 0.53 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 2wpr h THR 521 CO -0.21 0.00 -0.58 0.71 0.37 0.00 0.00 175.52 175.81 2wpr h THR 522 N -0.15 1.41 -0.00 3.16 1.35 -1.45 -2.12 112.91 115.11 2wpr h THR 522 Ca 0.14 -1.99 -0.00 0.00 -0.55 0.00 0.00 66.41 64.01 2wpr h THR 522 Cb 0.49 2.06 -0.00 0.00 -1.73 0.00 0.00 68.15 68.97 2wpr h THR 522 CO -0.81 0.57 -0.01 -0.07 -0.25 0.00 0.00 175.52 174.96 2wpr h LEU 523 N 0.04 0.01 -0.79 3.87 -0.00 -0.62 -2.62 115.31 115.19 2wpr h LEU 523 Ca -0.01 -0.50 -0.05 0.00 -0.00 0.00 0.00 57.88 57.32 2wpr h LEU 523 Cb 1.04 -0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.67 2wpr h LEU 523 CO 0.08 0.51 0.27 0.24 -0.00 0.00 0.00 178.44 179.53 2wpr h MET 524 N -0.48 1.16 -0.53 1.13 2.86 -1.33 -0.49 114.93 117.25 2wpr h MET 524 Ca 0.00 -0.23 0.11 0.00 -2.06 0.00 0.00 59.70 57.51 2wpr h MET 524 Cb 0.50 -0.18 -0.09 0.00 0.06 0.00 0.00 31.60 31.89 2wpr h MET 524 CO 0.00 0.97 -0.05 0.87 1.06 0.00 0.00 176.91 179.76 2wpr h LYS 525 N 1.12 0.07 -0.67 1.72 6.56 -1.39 0.08 116.57 124.07 2wpr h LYS 525 Ca 0.25 -0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.83 2wpr h LYS 525 Cb 0.27 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 31.88 2wpr h LYS 525 CO -0.01 0.05 0.41 1.96 -2.06 0.00 0.00 179.45 179.80 2wpr h GLN 526 N 0.07 0.90 0.50 3.15 4.20 -1.03 -2.65 115.11 120.25 2wpr h GLN 526 Ca 0.27 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 2wpr h GLN 526 Cb 0.41 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2wpr h GLN 526 CO -0.48 0.63 -0.24 0.82 -0.67 0.00 0.00 178.83 178.89 2wpr h ILE 527 N 0.91 0.42 -1.23 2.54 2.04 -0.34 -0.15 117.51 121.69 2wpr h ILE 527 Ca 0.24 -0.37 0.35 0.00 1.00 0.00 0.00 64.86 66.09 2wpr h ILE 527 Cb -0.05 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 36.52 2wpr h ILE 527 CO -0.05 0.05 0.85 -0.33 0.00 0.00 0.00 178.15 178.68 2wpr h GLU 528 N -0.92 0.12 0.48 2.37 5.08 -1.05 0.13 114.58 120.80 2wpr h GLU 528 Ca -0.07 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2wpr h GLU 528 Cb 0.60 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2wpr h GLU 528 CO 0.11 0.08 -0.23 -0.44 -1.00 0.00 0.00 179.01 177.53 2wpr h ASP 529 N 0.12 -0.55 -0.97 1.42 5.19 -1.09 -0.41 116.42 120.12 2wpr h ASP 529 Ca 0.64 -0.07 0.20 0.00 -0.62 0.00 0.00 57.03 57.19 2wpr h ASP 529 Cb 2.22 0.14 -0.09 0.00 0.18 0.00 0.00 39.33 41.78 2wpr h ASP 529 CO -0.15 -0.15 0.62 0.50 -3.12 0.00 0.00 179.24 176.93 2wpr h LYS 530 N -1.05 0.58 -0.51 3.56 1.63 0.90 0.32 116.57 122.01 2wpr h LYS 530 Ca -0.07 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.59 2wpr h LYS 530 Cb 0.58 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 2wpr h LYS 530 CO 0.11 0.39 -0.11 0.82 -3.45 0.00 0.00 179.45 177.21 2wpr h ILE 531 N 0.60 1.27 -0.25 2.00 2.04 -0.90 -0.81 117.51 121.46 2wpr h ILE 531 Ca 0.54 -1.25 0.05 0.00 1.00 0.00 0.00 64.86 65.20 2wpr h ILE 531 Cb 1.06 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 2wpr h ILE 531 CO -0.30 0.44 -0.05 -0.33 0.00 0.00 0.00 178.15 177.91 2wpr h GLU 532 N 0.84 0.01 -0.06 2.37 4.39 0.13 0.17 114.58 122.44 2wpr h GLU 532 Ca 0.13 -0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.59 2wpr h GLU 532 Cb 0.67 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2wpr h GLU 532 CO 0.05 0.01 -0.91 1.05 -1.16 0.00 0.00 179.01 178.05 2wpr h GLU 533 N 0.01 0.64 -0.92 2.33 -0.00 -1.09 -1.68 114.58 113.87 2wpr h GLU 533 Ca 0.12 -0.62 0.09 0.00 -0.00 0.00 0.00 59.36 58.96 2wpr h GLU 533 Cb 0.18 0.16 -0.07 0.00 -0.00 0.00 0.00 28.75 29.01 2wpr h GLU 533 CO -0.25 1.22 0.57 0.82 -0.00 0.00 0.00 179.01 181.37 2wpr h ILE 534 N 0.40 0.97 0.00 -1.06 2.04 -1.08 -1.67 117.51 117.11 2wpr h ILE 534 Ca -0.09 -0.33 -0.15 0.00 1.00 0.00 0.00 64.86 65.30 2wpr h ILE 534 Cb 1.54 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 2wpr h ILE 534 CO 0.17 0.18 -0.70 -0.07 0.00 0.00 0.00 178.15 177.73 2wpr h LEU 535 N 0.96 0.00 0.20 1.44 3.38 -0.54 -2.67 115.31 118.08 2wpr h LEU 535 Ca 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 2wpr h LEU 535 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2wpr h LEU 535 CO -0.23 0.70 -0.10 -1.28 0.09 0.00 0.00 178.44 177.62 2wpr h SER 536 N 0.00 -0.23 -0.45 -0.43 0.87 -0.95 -2.11 113.55 110.25 2wpr h SER 536 Ca -0.01 -0.15 0.08 0.00 -1.23 0.00 0.00 61.79 60.49 2wpr h SER 536 Cb 1.26 0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 63.20 2wpr h SER 536 CO 0.09 0.02 -0.01 0.50 -0.53 0.00 0.00 176.83 176.91 2wpr h LYS 537 N -0.48 0.10 -0.39 2.24 1.63 -1.33 -1.86 116.57 116.48 2wpr h LYS 537 Ca -0.03 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.80 2wpr h LYS 537 Cb 0.36 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.94 2wpr h LYS 537 CO 0.04 0.07 0.19 0.82 -3.45 0.00 0.00 179.45 177.12 2wpr h ILE 538 N 0.10 0.96 -0.92 2.00 2.04 -1.41 0.48 117.51 120.76 2wpr h ILE 538 Ca 0.22 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.97 2wpr h ILE 538 Cb 0.33 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 2wpr h ILE 538 CO -0.38 0.07 0.61 1.88 0.00 0.00 0.00 178.15 180.33 2wpr h TYR 539 N 0.38 1.14 -0.00 1.37 0.05 -1.06 -0.61 116.97 118.24 2wpr h TYR 539 Ca 0.17 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.86 2wpr h TYR 539 Cb 0.09 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 37.42 2wpr h TYR 539 CO -0.11 0.69 -0.56 1.25 -1.05 0.00 0.00 178.16 178.39 2wpr h HIS 540 N 1.21 0.01 -0.21 4.88 2.76 -0.33 -2.05 115.15 121.42 2wpr h HIS 540 Ca 0.35 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.40 2wpr h HIS 540 Cb -0.08 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 2wpr h HIS 540 CO -0.00 0.57 -0.37 0.82 -1.30 0.00 0.00 177.93 177.65 2wpr h ILE 541 N 0.00 1.30 -0.05 6.26 2.04 0.41 -2.72 117.51 124.75 2wpr h ILE 541 Ca -0.01 -1.48 -0.08 0.00 1.00 0.00 0.00 64.86 64.29 2wpr h ILE 541 Cb 0.99 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 2wpr h ILE 541 CO 0.07 0.46 -0.33 -0.33 0.00 0.00 0.00 178.15 178.02 2wpr h GLU 542 N 0.38 0.10 0.10 2.37 5.08 -0.61 -1.68 114.58 120.31 2wpr h GLU 542 Ca 0.04 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wpr h GLU 542 Cb 0.82 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2wpr h GLU 542 CO 0.07 0.43 -0.05 -0.91 -1.00 0.00 0.00 179.01 177.55 2wpr h ASN 543 N 0.09 -0.11 0.49 1.42 2.35 -1.26 -2.67 115.58 115.89 2wpr h ASN 543 Ca 0.01 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2wpr h ASN 543 Cb 0.64 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.04 2wpr h ASN 543 CO 0.05 0.04 -0.02 -0.33 -1.65 0.00 0.00 177.43 175.51 2wpr h GLU 544 N -0.25 0.00 0.12 0.81 3.07 -1.23 -2.02 114.58 115.08 2wpr h GLU 544 Ca -0.01 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.53 2wpr h GLU 544 Cb 0.21 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 2wpr h GLU 544 CO 0.02 0.02 -1.65 0.82 -1.40 0.00 0.00 179.01 176.83 2wpr h ILE 545 N 0.00 1.01 0.04 3.13 2.04 -1.29 -2.97 117.51 119.47 2wpr h ILE 545 Ca -0.00 -2.68 0.03 0.00 1.00 0.00 0.00 64.86 63.21 2wpr h ILE 545 Cb 0.28 2.69 -0.05 0.00 -0.74 0.00 0.00 36.82 39.00 2wpr h ILE 545 CO 0.00 0.80 -0.38 0.00 0.00 0.00 0.00 178.15 178.58 2wpr h ALA 546 N 0.42 -0.61 -0.06 1.87 0.00 -1.26 -1.95 119.26 117.68 2wpr h ALA 546 Ca -0.29 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 2wpr h ALA 546 Cb 2.03 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 20.47 2wpr h ALA 546 CO 0.15 -0.92 -0.27 0.07 0.00 0.00 0.00 179.25 178.28 2wpr h ARG 547 N -0.56 0.10 -0.24 0.00 -0.00 -1.51 -1.34 114.38 110.83 2wpr h ARG 547 Ca 0.05 -0.03 -0.07 0.00 -0.00 0.00 0.00 59.98 59.93 2wpr h ARG 547 Cb 0.63 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 30.58 2wpr h ARG 547 CO -0.27 0.36 -0.13 0.82 -0.00 0.00 0.00 179.97 180.75 2wpr h ILE 548 N 0.09 1.30 0.00 0.08 2.04 -1.44 -2.49 117.51 117.09 2wpr h ILE 548 Ca 0.01 -1.21 -0.04 0.00 1.00 0.00 0.00 64.86 64.61 2wpr h ILE 548 Cb 0.53 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 2wpr h ILE 548 CO 0.04 0.38 -0.21 0.11 0.00 0.00 0.00 178.15 178.46 2wpr h LYS 549 N 0.22 0.00 0.00 2.37 1.57 -0.98 -1.85 116.57 117.89 2wpr h LYS 549 Ca 0.05 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 2wpr h LYS 549 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 2wpr h LYS 549 CO 0.04 0.21 -0.47 -0.22 -0.57 0.00 0.00 179.45 178.44 2wpr h LYS 550 N 0.00 0.00 0.15 3.15 3.64 -1.14 -3.13 116.57 119.23 2wpr h LYS 550 Ca -0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 2wpr h LYS 550 Cb 0.44 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2wpr h LYS 550 CO 0.03 0.47 -0.93 -0.07 -2.27 0.00 0.00 179.45 176.67 2wpr h LEU 551 N 0.00 0.49 -1.10 5.20 4.07 -0.95 -3.31 115.31 119.71 2wpr h LEU 551 Ca -0.00 -0.94 0.21 0.00 0.08 0.00 0.00 57.88 57.23 2wpr h LEU 551 Cb 1.26 -0.16 -0.10 0.00 1.08 0.00 0.00 40.66 42.74 2wpr h LEU 551 CO 0.06 1.44 0.62 0.40 -1.08 0.00 0.00 178.44 179.88 2wpr h ILE 552 N -0.32 0.65 -0.01 1.22 2.04 -1.40 -3.52 117.51 116.16 2wpr h ILE 552 Ca -0.17 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2wpr h ILE 552 Cb 1.70 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 2wpr h ILE 552 CO 0.15 0.12 0.00 0.29 0.00 0.00 0.00 178.15 178.71