#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f66 n LYS 437 N 0.00 0.70 -3.38 1.64 2.85 -1.26 -4.91 118.16 113.80 1f66 n LYS 437 Ca 0.00 0.05 -0.44 0.00 -1.05 0.00 0.00 58.31 56.87 1f66 n LYS 437 Cb 0.00 -2.62 -0.01 0.00 -0.65 0.00 0.00 35.03 31.75 1f66 n LYS 437 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1f66 s PRO 438 N 8.18 3.94 -0.15 -1.58 0.04 -1.26 -4.99 135.00 139.19 1f66 s PRO 438 Ca 1.13 -3.05 0.01 0.00 0.04 0.00 0.00 61.00 59.12 1f66 s PRO 438 Cb -0.66 -4.45 0.02 0.00 0.04 0.00 0.00 34.50 29.45 1f66 s PRO 438 CO 0.38 -1.25 -0.16 -1.58 0.04 0.00 0.00 177.00 174.43 1f66 s HIS 439 N -0.95 2.28 -0.04 0.56 2.46 -1.26 -5.11 115.29 113.23 1f66 s HIS 439 Ca 0.27 -1.27 0.00 0.00 0.47 0.00 0.00 55.06 54.54 1f66 s HIS 439 Cb -0.10 -1.64 0.03 0.00 -0.13 0.00 0.00 32.58 30.73 1f66 s HIS 439 CO -0.09 -0.67 -0.01 1.03 -2.47 0.00 0.00 174.74 172.53 1f66 s ARG 440 N 1.37 0.46 0.45 2.88 0.52 -1.26 -5.14 118.95 118.23 1f66 s ARG 440 Ca 0.03 0.04 -0.22 0.00 -0.52 0.00 0.00 55.73 55.06 1f66 s ARG 440 Cb -0.13 -0.62 -0.09 0.00 0.52 0.00 0.00 34.95 34.63 1f66 s ARG 440 CO -0.10 -0.14 1.05 0.71 0.02 0.00 0.00 175.30 176.84 1f66 s TYR 441 N 1.11 3.08 0.32 -0.53 2.02 -1.26 -5.01 117.35 117.09 1f66 s TYR 441 Ca -0.08 1.60 -0.28 0.00 -0.37 0.00 0.00 57.07 57.94 1f66 s TYR 441 Cb -0.14 -3.11 -0.09 0.00 -0.40 0.00 0.00 41.96 38.22 1f66 s TYR 441 CO -0.02 -0.80 1.14 1.03 -1.57 0.00 0.00 175.55 175.33 1f66 s ARG 442 N -2.94 4.44 -0.10 -0.62 0.52 -1.26 -4.92 118.95 114.06 1f66 s ARG 442 Ca 0.64 1.84 -0.39 0.00 -0.52 0.00 0.00 55.73 57.31 1f66 s ARG 442 Cb -0.19 -3.01 -0.16 0.00 0.52 0.00 0.00 34.95 32.11 1f66 s ARG 442 CO 0.23 0.01 1.55 -2.30 0.02 0.00 0.00 175.30 174.81 1f66 n PRO 443 N 0.79 1.14 0.00 3.54 -0.02 -1.26 -0.93 135.00 138.26 1f66 n PRO 443 Ca 0.01 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1f66 n PRO 443 Cb 0.45 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1f66 n PRO 443 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f66 n GLY 444 N 3.37 2.45 0.12 -1.23 0.00 -1.26 -4.96 105.19 103.68 1f66 n GLY 444 Ca 0.23 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 1f66 n GLY 444 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1f66 h THR 445 N 0.00 1.52 -0.42 2.61 2.02 -1.40 -2.55 112.91 114.69 1f66 h THR 445 Ca 0.00 -2.37 -0.09 0.00 0.77 0.00 0.00 66.41 64.71 1f66 h THR 445 Cb 0.00 3.04 -0.01 0.00 -1.74 0.00 0.00 68.15 69.44 1f66 h THR 445 CO 0.00 0.67 -0.10 0.58 0.37 0.00 0.00 175.52 177.04 1f66 h VAL 446 N -0.36 1.27 -0.51 3.16 2.07 -1.93 -2.51 116.25 117.44 1f66 h VAL 446 Ca -0.11 -1.20 0.09 0.00 0.82 0.00 0.00 66.70 66.30 1f66 h VAL 446 Cb 1.48 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 32.35 1f66 h VAL 446 CO 0.13 0.41 0.08 0.00 0.02 0.00 0.00 177.57 178.21 1f66 h ALA 447 N 0.86 0.56 0.00 1.67 0.00 -1.92 0.15 119.26 120.57 1f66 h ALA 447 Ca 0.11 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1f66 h ALA 447 Cb 0.63 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1f66 h ALA 447 CO 0.04 -0.33 -0.27 -0.07 0.00 0.00 0.00 179.25 178.63 1f66 h LEU 448 N 0.21 0.00 -0.53 0.00 3.38 -1.26 -1.50 115.31 115.61 1f66 h LEU 448 Ca 0.26 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 1f66 h LEU 448 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1f66 h LEU 448 CO -0.35 0.27 -0.34 -0.09 0.09 0.00 0.00 178.44 178.01 1f66 h ARG 449 N 0.00 0.83 -0.18 1.13 2.43 -0.39 -2.53 114.38 115.66 1f66 h ARG 449 Ca -0.00 -0.40 -0.01 0.00 -0.81 0.00 0.00 59.98 58.75 1f66 h ARG 449 Cb 0.49 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1f66 h ARG 449 CO 0.03 1.04 0.07 0.93 -1.51 0.00 0.00 179.97 180.53 1f66 h GLU 450 N 0.69 0.27 -0.79 0.20 5.08 -0.12 -0.36 114.58 119.56 1f66 h GLU 450 Ca 0.07 -0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.50 1f66 h GLU 450 Cb 0.90 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.02 1f66 h GLU 450 CO 0.08 0.35 0.40 0.82 -1.00 0.00 0.00 179.01 179.66 1f66 h ILE 451 N 0.13 0.79 -0.25 3.13 2.04 -1.21 0.17 117.51 122.32 1f66 h ILE 451 Ca 0.06 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.65 1f66 h ILE 451 Cb 0.18 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1f66 h ILE 451 CO -0.00 0.11 -0.04 0.03 0.00 0.00 0.00 178.15 178.25 1f66 h ARG 452 N 0.62 0.47 -0.01 2.37 3.08 -1.04 -1.93 114.38 117.95 1f66 h ARG 452 Ca 0.41 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1f66 h ARG 452 Cb 0.50 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1f66 h ARG 452 CO -0.32 0.68 0.00 -0.09 -1.07 0.00 0.00 179.97 179.18 1f66 h ARG 453 N 0.22 0.01 0.00 0.04 2.43 -0.19 -2.60 114.38 114.29 1f66 h ARG 453 Ca 0.06 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1f66 h ARG 453 Cb 0.50 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1f66 h ARG 453 CO 0.02 0.03 -0.00 1.88 -1.51 0.00 0.00 179.97 180.39 1f66 h TYR 454 N -0.02 0.00 -0.00 2.20 0.05 -0.67 -2.19 116.97 116.34 1f66 h TYR 454 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1f66 h TYR 454 Cb 0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.77 1f66 h TYR 454 CO -0.07 0.00 -0.42 1.04 -1.05 0.00 0.00 178.16 177.66 1f66 n GLN 455 N -3.10 0.04 0.05 4.88 6.02 -0.73 -3.56 117.38 120.99 1f66 n GLN 455 Ca 0.00 -0.02 -0.19 0.00 -0.01 0.00 0.00 57.00 56.79 1f66 n GLN 455 Cb 0.30 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.92 1f66 n GLN 455 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1f66 h LYS 456 N 0.05 0.28 -6.99 -1.09 1.57 -1.01 -3.48 116.57 105.90 1f66 h LYS 456 Ca 0.00 -0.47 -0.45 0.00 -1.87 0.00 0.00 60.65 57.85 1f66 h LYS 456 Cb 0.50 0.18 0.05 0.00 0.08 0.00 0.00 32.23 33.04 1f66 h LYS 456 CO 0.00 1.14 0.06 -1.54 -0.57 0.00 0.00 179.45 178.55 1f66 s SER 457 N -7.02 5.26 0.00 0.86 1.04 -1.03 -5.05 113.70 107.76 1f66 s SER 457 Ca -0.12 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1f66 s SER 457 Cb 0.06 -1.15 0.00 0.00 0.10 0.00 0.00 66.02 65.04 1f66 s SER 457 CO 0.84 -1.20 0.20 0.35 0.98 0.00 0.00 173.24 174.41 1f66 n THR 458 N -2.51 0.00 -0.55 2.02 -2.24 -1.26 -4.97 114.28 104.78 1f66 n THR 458 Ca 0.07 -0.41 -0.29 0.00 -2.27 0.00 0.00 64.05 61.14 1f66 n THR 458 Cb 0.59 1.09 0.23 0.00 -2.10 0.00 0.00 70.33 70.14 1f66 n THR 458 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1f66 n GLU 459 N -0.42 -1.82 -1.68 -0.78 -0.00 -1.26 -4.97 120.64 109.72 1f66 n GLU 459 Ca 0.00 -0.49 -0.32 0.00 -0.00 0.00 0.00 57.16 56.35 1f66 n GLU 459 Cb 0.02 -2.21 0.05 0.00 -0.00 0.00 0.00 31.44 29.30 1f66 n GLU 459 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1f66 s LEU 460 N -6.75 3.30 0.00 -1.84 1.43 -1.26 -4.98 118.68 108.58 1f66 s LEU 460 Ca 0.68 1.89 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 1f66 s LEU 460 Cb -0.24 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.44 1f66 s LEU 460 CO 0.63 -1.62 0.00 0.18 0.23 0.00 0.00 176.35 175.77 1f66 n LEU 461 N -2.67 0.00 -4.82 1.79 4.77 -1.26 -4.97 117.00 109.85 1f66 n LEU 461 Ca 0.09 -0.44 -0.38 0.00 -0.03 0.00 0.00 56.01 55.26 1f66 n LEU 461 Cb 0.52 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1f66 n LEU 461 CO 0.50 0.00 0.07 -0.63 -1.33 0.00 0.00 177.39 176.00 1f66 s ILE 462 N -0.98 5.12 0.44 -0.08 1.01 -1.26 -5.04 121.20 120.41 1f66 s ILE 462 Ca 0.00 0.75 -0.25 0.00 0.00 0.00 0.00 60.65 61.15 1f66 s ILE 462 Cb 0.00 -3.68 -0.08 0.00 0.01 0.00 0.00 42.46 38.71 1f66 s ILE 462 CO 0.00 0.54 1.35 -0.13 0.00 0.00 0.00 174.94 176.70 1f66 s ARG 463 N -0.74 3.76 0.06 2.79 0.52 -1.26 -4.95 118.95 119.13 1f66 s ARG 463 Ca 0.22 2.25 -0.26 0.00 -0.52 0.00 0.00 55.73 57.43 1f66 s ARG 463 Cb -0.16 -2.65 -0.17 0.00 0.52 0.00 0.00 34.95 32.49 1f66 s ARG 463 CO 0.11 -0.69 1.57 0.87 0.02 0.00 0.00 175.30 177.18 1f66 h LYS 464 N 2.39 -0.23 -0.48 3.54 1.57 -1.99 -3.10 116.57 118.26 1f66 h LYS 464 Ca -0.50 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.31 1f66 h LYS 464 Cb 1.26 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.59 1f66 h LYS 464 CO 0.61 -0.06 0.30 1.25 -0.57 0.00 0.00 179.45 180.99 1f66 h LEU 465 N -0.37 0.50 -0.82 2.94 5.85 -1.99 0.06 115.31 121.49 1f66 h LEU 465 Ca -0.02 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.75 1f66 h LEU 465 Cb 0.28 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1f66 h LEU 465 CO 0.04 0.36 0.50 -0.65 -0.34 0.00 0.00 178.44 178.35 1f66 h PRO 466 N 0.61 0.88 -0.45 5.25 0.11 -1.98 0.12 132.00 136.54 1f66 h PRO 466 Ca 0.19 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.13 1f66 h PRO 466 Cb -0.02 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.87 1f66 h PRO 466 CO -0.07 0.58 -0.15 0.35 -0.21 0.00 0.00 178.00 178.51 1f66 h PHE 467 N 0.91 1.03 -0.61 0.65 3.57 -1.33 -1.87 116.94 119.28 1f66 h PHE 467 Ca 0.36 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1f66 h PHE 467 Cb 0.18 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1f66 h PHE 467 CO -0.04 1.01 0.38 0.37 -2.23 0.00 0.00 178.31 177.80 1f66 h GLN 468 N 0.74 0.81 -0.62 1.11 4.15 -0.24 -0.83 115.11 120.23 1f66 h GLN 468 Ca 0.11 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1f66 h GLN 468 Cb 0.71 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 1f66 h GLN 468 CO 0.05 0.57 0.34 0.00 -1.93 0.00 0.00 178.83 177.86 1f66 h ARG 469 N 0.82 0.87 -0.55 1.69 3.08 -0.66 -1.45 114.38 118.18 1f66 h ARG 469 Ca 0.22 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1f66 h ARG 469 Cb -0.05 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 1f66 h ARG 469 CO -0.04 0.66 0.26 1.25 -1.07 0.00 0.00 179.97 181.03 1f66 h LEU 470 N 0.85 0.72 -0.14 3.04 5.85 -0.79 -1.79 115.31 123.05 1f66 h LEU 470 Ca 0.22 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1f66 h LEU 470 Cb 0.05 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1f66 h LEU 470 CO -0.03 0.66 0.05 0.58 -0.34 0.00 0.00 178.44 179.35 1f66 h VAL 471 N 0.74 0.97 -0.37 1.05 2.07 -0.94 -1.37 116.25 118.40 1f66 h VAL 471 Ca 0.19 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.63 1f66 h VAL 471 Cb 0.13 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1f66 h VAL 471 CO -0.02 0.02 0.05 0.03 0.02 0.00 0.00 177.57 177.67 1f66 h ARG 472 N 0.12 0.56 -0.13 1.57 3.08 -1.07 -0.89 114.38 117.62 1f66 h ARG 472 Ca 0.06 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1f66 h ARG 472 Cb 0.03 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1f66 h ARG 472 CO -0.06 0.55 -0.16 1.49 -1.07 0.00 0.00 179.97 180.72 1f66 h GLU 473 N 0.55 0.34 -0.64 0.04 4.81 -1.09 -1.78 114.58 116.80 1f66 h GLU 473 Ca 0.12 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1f66 h GLU 473 Cb 0.27 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1f66 h GLU 473 CO 0.00 0.75 0.38 0.82 -0.73 0.00 0.00 179.01 180.24 1f66 h ILE 474 N -0.05 1.19 -0.65 2.32 2.04 -1.00 -2.77 117.51 118.58 1f66 h ILE 474 Ca 0.02 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1f66 h ILE 474 Cb 0.70 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1f66 h ILE 474 CO 0.04 0.19 0.37 0.00 0.00 0.00 0.00 178.15 178.75 1f66 h ALA 475 N 1.20 1.42 -0.60 1.87 0.00 -1.10 -2.80 119.26 119.25 1f66 h ALA 475 Ca 0.23 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.18 1f66 h ALA 475 Cb -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1f66 h ALA 475 CO -0.04 0.49 0.41 0.37 0.00 0.00 0.00 179.25 180.48 1f66 h GLN 476 N 0.90 0.19 0.00 0.00 5.75 -1.02 0.28 115.11 121.22 1f66 h GLN 476 Ca 0.23 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 1f66 h GLN 476 Cb 0.01 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.51 1f66 h GLN 476 CO -0.04 0.13 0.00 -0.25 -2.65 0.00 0.00 178.83 176.02 1f66 n ASP 477 N -4.43 0.07 -0.01 -0.69 8.00 -1.05 -3.30 116.55 115.13 1f66 n ASP 477 Ca 0.11 0.51 0.08 0.00 0.71 0.00 0.00 54.79 56.20 1f66 n ASP 477 Cb 0.53 -0.53 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 1f66 n ASP 477 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1f66 n PHE 478 N -1.57 0.00 -3.65 1.24 3.72 0.90 -5.00 117.46 113.11 1f66 n PHE 478 Ca 0.05 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.42 1f66 n PHE 478 Cb 0.26 -0.43 -0.07 0.00 -0.94 0.00 0.00 39.48 38.31 1f66 n PHE 478 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1f66 s LYS 479 N -3.21 0.21 0.53 -1.08 2.20 -0.69 -5.15 119.74 112.54 1f66 s LYS 479 Ca -0.07 0.29 -0.01 0.00 -0.36 0.00 0.00 55.97 55.82 1f66 s LYS 479 Cb 0.11 0.08 0.02 0.00 -1.51 0.00 0.00 37.83 36.53 1f66 s LYS 479 CO 0.74 -0.03 0.77 0.95 -0.36 0.00 0.00 175.35 177.43 1f66 s THR 480 N 0.55 3.35 -1.37 3.43 -4.23 -1.26 -4.04 115.64 112.07 1f66 s THR 480 Ca -0.00 -0.44 -0.04 0.00 -1.18 0.00 0.00 61.69 60.03 1f66 s THR 480 Cb -0.04 -3.28 0.02 0.00 1.34 0.00 0.00 72.50 70.54 1f66 s THR 480 CO -0.12 -0.22 0.77 -0.67 -0.54 0.00 0.00 174.62 173.84 1f66 n ASP 481 N -2.33 -2.12 -4.88 3.99 2.03 -1.26 -4.97 116.55 107.00 1f66 n ASP 481 Ca 0.05 -0.81 -0.35 0.00 0.52 0.00 0.00 54.79 54.20 1f66 n ASP 481 Cb 0.59 -3.99 -0.05 0.00 -0.72 0.00 0.00 41.12 36.94 1f66 n ASP 481 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1f66 s LEU 482 N -6.85 4.37 0.34 -2.67 1.43 -1.26 -5.10 118.68 108.94 1f66 s LEU 482 Ca 0.18 0.56 0.09 0.00 -1.03 0.00 0.00 54.13 53.93 1f66 s LEU 482 Cb -0.09 -2.66 -0.05 0.00 0.03 0.00 0.00 46.19 43.42 1f66 s LEU 482 CO 0.82 0.26 0.07 -0.13 0.23 0.00 0.00 176.35 177.60 1f66 s ARG 483 N -1.74 2.22 -0.06 1.70 0.52 -1.26 -5.11 118.95 115.22 1f66 s ARG 483 Ca 0.27 -1.65 0.01 0.00 -0.52 0.00 0.00 55.73 53.84 1f66 s ARG 483 Cb -0.13 -2.05 0.02 0.00 0.52 0.00 0.00 34.95 33.31 1f66 s ARG 483 CO 0.16 0.13 -0.07 -0.06 0.02 0.00 0.00 175.30 175.48 1f66 s PHE 484 N -2.47 1.07 0.73 -0.53 0.40 -1.26 -5.12 117.98 110.80 1f66 s PHE 484 Ca 0.36 -0.38 -0.16 0.00 -0.60 0.00 0.00 56.93 56.15 1f66 s PHE 484 Cb -0.01 -0.88 0.04 0.00 0.51 0.00 0.00 43.02 42.67 1f66 s PHE 484 CO 0.21 -0.28 1.23 1.04 0.70 0.00 0.00 175.22 178.12 1f66 n GLN 485 N 4.20 0.61 -0.15 0.44 6.02 -1.26 -4.88 117.38 122.37 1f66 n GLN 485 Ca -0.21 0.28 -0.10 0.00 -0.01 0.00 0.00 57.00 56.95 1f66 n GLN 485 Cb 0.51 -2.46 -0.01 0.00 1.02 0.00 0.00 30.24 29.30 1f66 n GLN 485 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1f66 h SER 486 N -0.23 0.78 0.13 1.08 0.87 -2.00 -2.53 113.55 111.65 1f66 h SER 486 Ca -0.48 -0.33 -0.01 0.00 -1.23 0.00 0.00 61.79 59.73 1f66 h SER 486 Cb 1.32 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1f66 h SER 486 CO 0.49 0.93 -0.05 0.77 -0.53 0.00 0.00 176.83 178.43 1f66 h SER 487 N 0.62 0.00 -0.13 6.23 4.64 -1.99 -1.82 113.55 121.10 1f66 h SER 487 Ca 0.12 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 1f66 h SER 487 Cb 0.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1f66 h SER 487 CO 0.03 0.05 -0.11 0.00 -0.87 0.00 0.00 176.83 175.93 1f66 h ALA 488 N 1.95 0.18 -0.77 5.18 0.00 -1.81 -1.20 119.26 122.79 1f66 h ALA 488 Ca -0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1f66 h ALA 488 Cb 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1f66 h ALA 488 CO 0.01 0.03 0.28 0.28 0.00 0.00 0.00 179.25 179.85 1f66 h VAL 489 N -0.08 1.26 -0.63 0.00 2.07 -1.26 -1.71 116.25 115.90 1f66 h VAL 489 Ca 0.02 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 1f66 h VAL 489 Cb 0.63 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1f66 h VAL 489 CO 0.03 0.35 0.23 0.24 0.02 0.00 0.00 177.57 178.44 1f66 h MET 490 N 1.13 0.92 -0.47 1.57 2.86 -1.25 -1.07 114.93 118.63 1f66 h MET 490 Ca 0.25 -0.16 -0.14 0.00 -2.06 0.00 0.00 59.70 57.60 1f66 h MET 490 Cb 0.26 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1f66 h MET 490 CO -0.02 0.77 -0.25 0.00 1.06 0.00 0.00 176.91 178.47 1f66 h ALA 491 N 1.35 0.66 -0.65 6.32 0.00 -0.87 -0.75 119.26 125.32 1f66 h ALA 491 Ca 0.21 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1f66 h ALA 491 Cb 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1f66 h ALA 491 CO -0.02 0.67 0.27 -0.07 0.00 0.00 0.00 179.25 180.11 1f66 h LEU 492 N 0.84 0.85 -0.25 0.00 3.38 -0.88 -0.52 115.31 118.74 1f66 h LEU 492 Ca 0.10 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 1f66 h LEU 492 Cb 0.83 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1f66 h LEU 492 CO 0.07 0.75 -0.59 -0.61 0.09 0.00 0.00 178.44 178.16 1f66 h GLN 493 N 0.93 0.83 -0.72 1.13 4.15 -0.71 -1.66 115.11 119.06 1f66 h GLN 493 Ca 0.22 -0.57 -0.00 0.00 0.77 0.00 0.00 58.65 59.07 1f66 h GLN 493 Cb 0.16 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 1f66 h GLN 493 CO -0.02 1.19 0.43 0.93 -1.93 0.00 0.00 178.83 179.44 1f66 h GLU 494 N 0.60 0.98 -0.55 1.69 4.39 -0.87 -1.60 114.58 119.21 1f66 h GLU 494 Ca -0.00 -0.09 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 1f66 h GLU 494 Cb 1.20 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 1f66 h GLU 494 CO 0.13 0.70 -0.01 0.00 -1.16 0.00 0.00 179.01 178.66 1f66 h ALA 495 N 1.23 0.75 -0.36 3.43 0.00 -0.99 -2.16 119.26 121.16 1f66 h ALA 495 Ca 0.26 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1f66 h ALA 495 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1f66 h ALA 495 CO -0.05 0.59 -0.02 0.77 0.00 0.00 0.00 179.25 180.54 1f66 h SER 496 N 0.87 0.63 -0.10 0.00 0.02 -1.14 -1.07 113.55 112.77 1f66 h SER 496 Ca 0.15 -0.32 -0.14 0.00 -0.84 0.00 0.00 61.79 60.65 1f66 h SER 496 Cb 0.56 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1f66 h SER 496 CO 0.03 0.80 -0.41 -0.33 -1.14 0.00 0.00 176.83 175.79 1f66 h GLU 497 N 0.45 0.63 -0.26 3.45 5.08 -1.29 0.41 114.58 123.04 1f66 h GLU 497 Ca 0.10 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 58.05 1f66 h GLU 497 Cb 0.49 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1f66 h GLU 497 CO 0.02 0.92 -0.20 0.00 -1.00 0.00 0.00 179.01 178.76 1f66 h ALA 498 N 1.04 1.18 -0.11 3.43 0.00 -1.23 -0.93 119.26 122.64 1f66 h ALA 498 Ca 0.04 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1f66 h ALA 498 Cb 0.92 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1f66 h ALA 498 CO 0.08 0.52 -0.07 -0.92 0.00 0.00 0.00 179.25 178.87 1f66 h TYR 499 N 0.43 0.28 -0.14 0.00 3.20 -0.71 -2.20 116.97 117.82 1f66 h TYR 499 Ca 0.07 -0.07 -0.13 0.00 3.14 0.00 0.00 58.73 61.73 1f66 h TYR 499 Cb 0.58 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1f66 h TYR 499 CO 0.02 0.61 -0.49 -0.07 -1.64 0.00 0.00 178.16 176.59 1f66 h LEU 500 N -0.14 0.40 -0.14 2.82 3.38 -0.79 0.33 115.31 121.17 1f66 h LEU 500 Ca 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1f66 h LEU 500 Cb 0.55 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1f66 h LEU 500 CO 0.02 0.83 0.03 0.58 0.09 0.00 0.00 178.44 179.99 1f66 h VAL 501 N 0.29 1.20 -0.24 1.22 2.07 -1.19 -0.10 116.25 119.50 1f66 h VAL 501 Ca 0.01 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1f66 h VAL 501 Cb 0.97 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1f66 h VAL 501 CO 0.08 0.19 -0.02 0.00 0.02 0.00 0.00 177.57 177.84 1f66 h ALA 502 N 0.83 1.52 -0.09 1.67 0.00 -1.15 -0.68 119.26 121.36 1f66 h ALA 502 Ca 0.04 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1f66 h ALA 502 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1f66 h ALA 502 CO 0.00 0.35 -0.44 1.25 0.00 0.00 0.00 179.25 180.40 1f66 h LEU 503 N 0.35 0.23 -0.79 0.00 5.85 -0.56 -2.68 115.31 117.72 1f66 h LEU 503 Ca 0.08 -0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 1f66 h LEU 503 Cb 0.27 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1f66 h LEU 503 CO 0.01 0.65 -0.54 -0.26 -0.34 0.00 0.00 178.44 177.96 1f66 h PHE 504 N 0.18 0.22 -0.15 1.25 0.04 0.43 -0.61 116.94 118.30 1f66 h PHE 504 Ca 0.01 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 1f66 h PHE 504 Cb 0.86 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.96 1f66 h PHE 504 CO 0.01 0.68 0.08 0.93 -0.60 0.00 0.00 178.31 179.41 1f66 h GLU 505 N 0.14 0.21 -0.07 1.51 5.08 -0.98 -1.26 114.58 119.21 1f66 h GLU 505 Ca 0.00 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1f66 h GLU 505 Cb 1.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1f66 h GLU 505 CO 0.08 0.22 -0.31 -0.44 -1.00 0.00 0.00 179.01 177.56 1f66 h ASP 506 N 0.14 0.14 -0.57 1.42 3.32 -1.30 -2.37 116.42 117.19 1f66 h ASP 506 Ca 0.05 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 1f66 h ASP 506 Cb 0.07 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1f66 h ASP 506 CO -0.01 0.45 -0.08 0.74 -1.72 0.00 0.00 179.24 178.63 1f66 h THR 507 N 0.12 1.27 -0.79 0.35 2.02 -0.82 -2.04 112.91 113.03 1f66 h THR 507 Ca 0.02 -1.24 -0.04 0.00 0.77 0.00 0.00 66.41 65.91 1f66 h THR 507 Cb 0.62 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1f66 h THR 507 CO 0.05 0.44 0.32 -1.13 0.37 0.00 0.00 175.52 175.57 1f66 h ASN 508 N 0.94 1.09 -0.36 4.18 -1.24 -0.93 -1.21 115.58 118.05 1f66 h ASN 508 Ca 0.15 -0.17 -0.02 0.00 0.71 0.00 0.00 56.30 56.97 1f66 h ASN 508 Cb 0.65 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.40 1f66 h ASN 508 CO 0.04 0.96 0.18 -0.07 -1.29 0.00 0.00 177.43 177.25 1f66 h LEU 509 N 1.14 0.50 -0.23 0.34 3.38 -1.11 0.70 115.31 120.04 1f66 h LEU 509 Ca 0.26 -0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.97 1f66 h LEU 509 Cb 0.21 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1f66 h LEU 509 CO -0.02 0.44 -0.82 0.00 0.09 0.00 0.00 178.44 178.13 1f66 h ALA 511 N 0.70 0.12 -0.48 0.00 0.00 -0.76 -2.26 119.26 116.58 1f66 h ALA 511 Ca -0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1f66 h ALA 511 Cb 1.43 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1f66 h ALA 511 CO 0.15 -0.23 0.27 0.82 0.00 0.00 0.00 179.25 180.26 1f66 h ILE 512 N -0.08 1.15 -0.60 0.00 2.04 -0.87 -0.35 117.51 118.80 1f66 h ILE 512 Ca 0.03 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1f66 h ILE 512 Cb 0.28 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1f66 h ILE 512 CO 0.00 0.16 0.27 -0.74 0.00 0.00 0.00 178.15 177.85 1f66 h HIS 513 N 0.67 0.85 -0.16 1.37 2.76 -0.78 0.07 115.15 119.93 1f66 h HIS 513 Ca 0.17 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1f66 h HIS 513 Cb 0.02 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.71 1f66 h HIS 513 CO 0.00 0.63 0.00 0.00 -1.30 0.00 0.00 177.93 177.26 1f66 n ALA 514 N -2.45 2.81 -2.45 5.26 0.00 -0.30 -4.89 120.51 118.50 1f66 n ALA 514 Ca 0.05 -0.49 -0.21 0.00 0.00 0.00 0.00 53.44 52.80 1f66 n ALA 514 Cb 0.14 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 1f66 n ALA 514 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1f66 n LYS 515 N 0.15 -1.94 -4.34 0.00 5.02 0.01 -5.02 118.16 112.05 1f66 n LYS 515 Ca 0.07 0.98 -0.29 0.00 -2.02 0.00 0.00 58.31 57.06 1f66 n LYS 515 Cb 0.45 -5.64 -0.05 0.00 -0.02 0.00 0.00 35.03 29.77 1f66 n LYS 515 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1f66 s ARG 516 N -5.09 2.21 0.00 1.97 0.52 -0.30 -4.99 118.95 113.26 1f66 s ARG 516 Ca 0.03 -2.15 0.00 0.00 -0.52 0.00 0.00 55.73 53.09 1f66 s ARG 516 Cb -0.01 -1.81 0.00 0.00 0.52 0.00 0.00 34.95 33.64 1f66 s ARG 516 CO 0.04 -0.38 0.43 1.33 0.02 0.00 0.00 175.30 176.73 1f66 n VAL 517 N -1.41 0.17 -3.96 3.52 0.24 -1.26 -3.60 118.33 112.03 1f66 n VAL 517 Ca -0.09 -0.36 -0.35 0.00 -2.04 0.00 0.00 64.34 61.50 1f66 n VAL 517 Cb 0.66 1.22 -0.14 0.00 -1.47 0.00 0.00 33.84 34.11 1f66 n VAL 517 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1f66 s THR 518 N -0.17 3.43 0.30 3.34 2.01 -1.26 -5.02 115.64 118.25 1f66 s THR 518 Ca 0.00 -0.48 -0.28 0.00 0.31 0.00 0.00 61.69 61.24 1f66 s THR 518 Cb 0.00 -2.55 -0.09 0.00 0.01 0.00 0.00 72.50 69.86 1f66 s THR 518 CO 0.00 0.43 1.03 0.27 -0.69 0.00 0.00 174.62 175.66 1f66 s ILE 519 N 1.38 3.76 0.25 1.82 -4.36 -1.26 -4.90 121.20 117.90 1f66 s ILE 519 Ca 0.05 1.66 0.04 0.00 -0.26 0.00 0.00 60.65 62.14 1f66 s ILE 519 Cb -0.14 -4.01 -0.05 0.00 1.25 0.00 0.00 42.46 39.50 1f66 s ILE 519 CO -0.02 0.31 -0.01 -0.04 0.24 0.00 0.00 174.94 175.41 1f66 s MET 520 N -1.63 1.42 0.42 0.37 -1.94 -1.26 -5.02 119.30 111.66 1f66 s MET 520 Ca 0.47 -1.73 0.16 0.00 -1.71 0.00 0.00 55.69 52.88 1f66 s MET 520 Cb -0.27 -0.79 1.04 0.00 2.01 0.00 0.00 34.83 36.83 1f66 s MET 520 CO 0.34 -0.07 1.89 -1.35 -0.01 0.00 0.00 175.02 175.82 1f66 h PRO 521 N 2.38 0.42 0.00 2.03 0.11 -2.00 0.62 132.00 135.56 1f66 h PRO 521 Ca -0.39 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.66 1f66 h PRO 521 Cb 1.23 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1f66 h PRO 521 CO 0.66 0.28 -0.17 1.57 -0.21 0.00 0.00 178.00 180.13 1f66 h LYS 522 N 0.44 0.00 -0.17 1.05 2.10 -1.98 -0.86 116.57 117.14 1f66 h LYS 522 Ca 0.42 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.87 1f66 h LYS 522 Cb 0.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 1f66 h LYS 522 CO -0.15 0.17 -0.68 -0.44 -2.00 0.00 0.00 179.45 176.35 1f66 h ASP 523 N 0.00 0.81 -0.37 7.07 3.32 -1.21 -0.13 116.42 125.91 1f66 h ASP 523 Ca -0.00 -0.49 -0.10 0.00 0.02 0.00 0.00 57.03 56.46 1f66 h ASP 523 Cb 0.44 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1f66 h ASP 523 CO 0.02 1.27 -0.10 0.40 -1.72 0.00 0.00 179.24 179.11 1f66 h ILE 524 N 0.50 1.26 -0.14 0.35 2.04 -1.26 -1.30 117.51 118.96 1f66 h ILE 524 Ca -0.02 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.63 1f66 h ILE 524 Cb 1.28 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1f66 h ILE 524 CO 0.14 0.41 -0.03 1.56 0.00 0.00 0.00 178.15 180.22 1f66 h GLN 525 N 0.74 0.27 -0.76 2.37 4.20 -1.08 -0.43 115.11 120.43 1f66 h GLN 525 Ca 0.12 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1f66 h GLN 525 Cb 0.60 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 1f66 h GLN 525 CO 0.04 0.56 0.48 1.25 -0.67 0.00 0.00 178.83 180.49 1f66 h LEU 526 N -0.04 0.88 -0.62 1.46 5.85 -0.92 0.13 115.31 122.06 1f66 h LEU 526 Ca 0.04 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1f66 h LEU 526 Cb 0.46 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1f66 h LEU 526 CO 0.01 0.66 0.09 0.00 -0.34 0.00 0.00 178.44 178.87 1f66 h ALA 527 N 1.26 0.82 -0.06 1.25 0.00 -1.05 -1.87 119.26 119.61 1f66 h ALA 527 Ca 0.27 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1f66 h ALA 527 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1f66 h ALA 527 CO -0.06 0.58 -0.65 0.00 0.00 0.00 0.00 179.25 179.12 1f66 h ARG 528 N 0.93 0.24 -0.30 0.00 3.08 -0.71 -2.13 114.38 115.49 1f66 h ARG 528 Ca 0.19 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1f66 h ARG 528 Cb 0.44 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1f66 h ARG 528 CO 0.01 0.81 0.10 -0.09 -1.07 0.00 0.00 179.97 179.73 1f66 h ARG 529 N 0.17 0.47 0.00 0.04 1.12 -0.85 -1.63 114.38 113.69 1f66 h ARG 529 Ca -0.01 -0.10 -0.11 0.00 -1.11 0.00 0.00 59.98 58.64 1f66 h ARG 529 Cb 1.18 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 31.06 1f66 h ARG 529 CO 0.10 0.51 -0.55 0.82 -3.11 0.00 0.00 179.97 177.75 1f66 h ILE 530 N 0.33 1.33 0.00 1.20 2.04 -1.24 -2.27 117.51 118.89 1f66 h ILE 530 Ca 0.10 -1.90 0.00 0.00 1.00 0.00 0.00 64.86 64.05 1f66 h ILE 530 Cb 0.24 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1f66 h ILE 530 CO -0.00 0.53 0.00 0.54 0.00 0.00 0.00 178.15 179.22 1f66 n ARG 531 N -3.80 0.02 -0.68 2.37 1.74 -0.81 -4.88 116.66 110.62 1f66 n ARG 531 Ca -0.01 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1f66 n ARG 531 Cb 0.57 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 1f66 n ARG 531 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f66 n GLY 532 N 0.32 0.70 0.13 -0.13 0.00 -0.86 -4.93 105.19 100.42 1f66 n GLY 532 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 1f66 n GLY 532 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1f66 h GLU 533 N 2.32 0.00 -1.27 1.61 5.08 -1.54 -3.50 114.58 117.28 1f66 h GLU 533 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f66 h GLU 533 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1f66 h GLU 533 CO 0.00 0.46 0.00 -2.13 -1.00 0.00 0.00 179.01 176.34 1f66 n ARG 534 N -3.14 0.00 0.00 2.33 0.00 -1.17 -5.02 116.66 109.66 1f66 n ARG 534 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1f66 n ARG 534 Cb 0.76 -0.21 0.00 0.00 0.00 0.00 0.00 32.46 33.01 1f66 n ARG 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63