#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c1c s HIS 439 N 0.00 0.98 0.19 6.00 5.65 -1.26 -5.14 115.29 121.71 3c1c s HIS 439 Ca 0.00 -0.35 0.07 0.00 0.25 0.00 0.00 55.06 55.03 3c1c s HIS 439 Cb 0.00 -0.87 -0.04 0.00 -1.18 0.00 0.00 32.58 30.50 3c1c s HIS 439 CO 0.00 -0.29 0.05 0.50 -0.65 0.00 0.00 174.74 174.35 3c1c s ARG 440 N 1.25 2.55 -0.18 2.88 3.52 -1.26 -5.12 118.95 122.60 3c1c s ARG 440 Ca -0.05 -1.09 -0.07 0.00 -0.13 0.00 0.00 55.73 54.38 3c1c s ARG 440 Cb -0.14 -2.41 -0.04 0.00 -1.56 0.00 0.00 34.95 30.80 3c1c s ARG 440 CO -0.02 0.44 0.07 0.71 -0.81 0.00 0.00 175.30 175.69 3c1c s TYR 441 N -1.86 3.28 0.68 5.12 4.12 -1.26 -5.08 117.35 122.34 3c1c s TYR 441 Ca 0.29 0.12 -0.17 0.00 0.02 0.00 0.00 57.07 57.33 3c1c s TYR 441 Cb -0.09 -2.07 0.01 0.00 -1.52 0.00 0.00 41.96 38.29 3c1c s TYR 441 CO 0.20 0.20 1.25 1.03 0.02 0.00 0.00 175.55 178.26 3c1c s ARG 442 N 0.27 2.37 -0.03 -0.62 0.52 -1.26 -4.87 118.95 115.33 3c1c s ARG 442 Ca 0.04 1.92 -0.36 0.00 -0.52 0.00 0.00 55.73 56.81 3c1c s ARG 442 Cb -0.12 -1.84 -0.14 0.00 0.52 0.00 0.00 34.95 33.36 3c1c s ARG 442 CO 0.00 -1.70 1.65 -2.30 0.02 0.00 0.00 175.30 172.97 3c1c n PRO 443 N -2.26 1.70 0.00 3.54 -0.02 -1.26 -1.85 135.00 134.85 3c1c n PRO 443 Ca 0.15 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3c1c n PRO 443 Cb 0.49 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3c1c n PRO 443 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3c1c n GLY 444 N 3.68 3.35 0.26 -1.23 0.00 -1.26 -4.93 105.19 105.05 3c1c n GLY 444 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 3c1c n GLY 444 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3c1c h THR 445 N 0.00 1.27 -0.07 2.61 2.02 -1.71 0.13 112.91 117.16 3c1c h THR 445 Ca 0.00 -1.25 -0.24 0.00 0.77 0.00 0.00 66.41 65.69 3c1c h THR 445 Cb 0.00 1.15 0.02 0.00 -1.74 0.00 0.00 68.15 67.58 3c1c h THR 445 CO 0.00 0.43 -0.90 0.58 0.37 0.00 0.00 175.52 175.99 3c1c h VAL 446 N 0.71 1.28 -0.03 3.16 2.07 -1.92 -2.69 116.25 118.83 3c1c h VAL 446 Ca 0.11 -2.11 0.03 0.00 0.82 0.00 0.00 66.70 65.55 3c1c h VAL 446 Cb 0.67 2.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 3c1c h VAL 446 CO 0.05 0.66 -0.16 0.00 0.02 0.00 0.00 177.57 178.14 3c1c h ALA 447 N 0.46 -0.17 -0.90 1.67 0.00 -1.90 -0.36 119.26 118.06 3c1c h ALA 447 Ca -0.09 0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.00 3c1c h ALA 447 Cb 1.55 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 19.56 3c1c h ALA 447 CO 0.18 -0.65 0.58 1.25 0.00 0.00 0.00 179.25 180.62 3c1c h LEU 448 N -0.25 0.58 -0.17 0.00 5.85 -0.73 0.42 115.31 121.01 3c1c h LEU 448 Ca 0.06 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3c1c h LEU 448 Cb 0.34 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3c1c h LEU 448 CO -0.18 0.26 -0.10 -2.11 -0.34 0.00 0.00 178.44 175.98 3c1c n ARG 449 N -4.56 0.58 0.04 1.25 1.85 -0.39 -2.57 116.66 112.86 3c1c n ARG 449 Ca 0.18 -0.17 -0.15 0.00 -1.00 0.00 0.00 57.85 56.72 3c1c n ARG 449 Cb 0.56 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.33 3c1c n ARG 449 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3c1c h GLU 450 N 0.41 0.18 -0.27 2.89 5.08 0.14 -1.25 114.58 121.77 3c1c h GLU 450 Ca 0.00 -0.31 0.02 0.00 -1.00 0.00 0.00 59.36 58.07 3c1c h GLU 450 Cb 0.35 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3c1c h GLU 450 CO 0.00 0.99 0.14 0.82 -1.00 0.00 0.00 179.01 179.96 3c1c h ILE 451 N 0.05 1.00 0.16 3.13 2.04 -1.04 0.29 117.51 123.15 3c1c h ILE 451 Ca -0.25 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3c1c h ILE 451 Cb 2.00 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 3c1c h ILE 451 CO 0.13 0.05 -0.14 0.03 0.00 0.00 0.00 178.15 178.23 3c1c h ARG 452 N 0.29 -0.31 0.17 2.37 -0.00 -1.51 -2.20 114.38 113.18 3c1c h ARG 452 Ca 0.11 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.61 3c1c h ARG 452 Cb 0.02 0.07 -0.03 0.00 0.00 0.00 0.00 29.97 30.03 3c1c h ARG 452 CO -0.07 -0.21 -0.41 -0.09 0.00 0.00 0.00 179.97 179.19 3c1c h ARG 453 N -0.32 -0.62 0.00 0.04 2.43 -0.74 -3.04 114.38 112.14 3c1c h ARG 453 Ca -0.00 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3c1c h ARG 453 Cb 0.30 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3c1c h ARG 453 CO -0.02 -0.41 -0.02 1.88 -1.51 0.00 0.00 179.97 179.88 3c1c h TYR 454 N -0.64 0.00 -0.00 2.20 -1.99 -0.94 -1.52 116.97 114.08 3c1c h TYR 454 Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 3c1c h TYR 454 Cb 0.62 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.35 3c1c h TYR 454 CO -0.37 0.02 -0.07 1.04 -0.00 0.00 0.00 178.16 178.78 3c1c n GLN 455 N -3.23 0.57 -0.04 4.88 6.02 -0.83 -3.53 117.38 121.21 3c1c n GLN 455 Ca -0.02 -0.13 -0.22 0.00 -0.01 0.00 0.00 57.00 56.63 3c1c n GLN 455 Cb 0.17 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.81 3c1c n GLN 455 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3c1c n LYS 456 N -1.11 0.69 -2.23 -1.09 0.00 -0.58 -4.97 118.16 108.88 3c1c n LYS 456 Ca 0.14 0.32 -0.26 0.00 0.00 0.00 0.00 58.31 58.52 3c1c n LYS 456 Cb 0.26 -1.68 0.08 0.00 0.00 0.00 0.00 35.03 33.69 3c1c n LYS 456 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3c1c s SER 457 N -6.97 4.60 0.00 3.14 1.04 -1.16 -5.03 113.70 109.33 3c1c s SER 457 Ca -0.26 0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.50 3c1c s SER 457 Cb 0.07 -0.90 0.00 0.00 0.10 0.00 0.00 66.02 65.29 3c1c s SER 457 CO 0.69 -1.73 0.00 0.35 0.98 0.00 0.00 173.24 173.53 3c1c n THR 458 N -2.98 0.00 -1.12 2.02 -2.24 -1.26 -4.94 114.28 103.75 3c1c n THR 458 Ca 0.09 -0.20 -0.37 0.00 -2.27 0.00 0.00 64.05 61.30 3c1c n THR 458 Cb 0.60 0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 69.52 3c1c n THR 458 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3c1c n GLU 459 N -1.11 0.00 -2.37 -0.78 0.28 -1.26 -4.86 120.64 110.54 3c1c n GLU 459 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.59 3c1c n GLU 459 Cb 0.00 -0.84 -0.03 0.00 1.43 0.00 0.00 31.44 31.99 3c1c n GLU 459 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3c1c s LEU 460 N 3.29 4.46 0.00 -1.84 1.43 -1.26 -4.93 118.68 119.83 3c1c s LEU 460 Ca 0.51 2.26 0.26 0.00 -1.03 0.00 0.00 54.13 56.13 3c1c s LEU 460 Cb -0.62 -3.61 0.61 0.00 0.03 0.00 0.00 46.19 42.60 3c1c s LEU 460 CO 0.51 -0.36 1.47 0.18 0.23 0.00 0.00 176.35 178.38 3c1c n LEU 461 N 2.30 1.16 -4.61 1.79 4.77 -1.26 -4.87 117.00 116.27 3c1c n LEU 461 Ca 0.04 -0.33 -0.33 0.00 -0.03 0.00 0.00 56.01 55.35 3c1c n LEU 461 Cb 0.44 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 3c1c n LEU 461 CO 0.56 0.22 -0.37 -0.63 -1.33 0.00 0.00 177.39 175.84 3c1c s ILE 462 N -2.53 3.80 0.05 -0.08 1.01 -1.26 -5.06 121.20 117.13 3c1c s ILE 462 Ca 0.22 -0.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.97 3c1c s ILE 462 Cb 0.19 -2.62 -0.08 0.00 0.01 0.00 0.00 42.46 39.95 3c1c s ILE 462 CO 0.54 0.48 1.76 -0.13 0.00 0.00 0.00 174.94 177.60 3c1c s ARG 463 N -1.19 4.17 0.00 2.79 3.00 -1.26 -4.93 118.95 121.53 3c1c s ARG 463 Ca 0.16 2.43 0.00 0.00 0.00 0.00 0.00 55.73 58.32 3c1c s ARG 463 Cb -0.11 -3.79 0.00 0.00 0.00 0.00 0.00 34.95 31.05 3c1c s ARG 463 CO 0.05 -0.83 0.73 1.63 0.00 0.00 0.00 175.30 176.88 3c1c n LYS 464 N 6.32 0.00 -0.14 3.54 4.76 -1.26 -2.00 118.16 129.38 3c1c n LYS 464 Ca 0.17 0.73 -0.09 0.00 -2.87 0.00 0.00 58.31 56.25 3c1c n LYS 464 Cb 0.40 -1.15 -0.07 0.00 -1.84 0.00 0.00 35.03 32.37 3c1c n LYS 464 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3c1c h LEU 465 N 0.00 -1.34 -0.95 -0.35 5.85 -1.98 0.25 115.31 116.79 3c1c h LEU 465 Ca 0.00 0.18 0.29 0.00 0.84 0.00 0.00 57.88 59.19 3c1c h LEU 465 Cb 0.00 0.56 -0.16 0.00 0.37 0.00 0.00 40.66 41.43 3c1c h LEU 465 CO 0.00 -0.26 0.34 -0.65 -0.34 0.00 0.00 178.44 177.54 3c1c h PRO 466 N -0.22 0.18 0.21 5.25 0.11 -1.94 0.53 132.00 136.11 3c1c h PRO 466 Ca 0.06 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 3c1c h PRO 466 Cb 0.39 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.46 3c1c h PRO 466 CO -0.46 0.12 -0.10 0.35 -0.21 0.00 0.00 178.00 177.70 3c1c h PHE 467 N 0.18 -0.26 -0.85 0.65 3.57 -0.32 -2.21 116.94 117.71 3c1c h PHE 467 Ca 0.65 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 62.31 3c1c h PHE 467 Cb 1.45 0.08 -0.16 0.00 2.79 0.00 0.00 35.95 40.12 3c1c h PHE 467 CO -0.19 -0.16 -0.24 0.94 -2.23 0.00 0.00 178.31 176.42 3c1c n GLN 468 N -2.99 -0.11 -0.19 1.11 7.27 0.66 0.24 117.38 123.36 3c1c n GLN 468 Ca -0.03 1.33 0.00 0.00 0.07 0.00 0.00 57.00 58.37 3c1c n GLN 468 Cb 0.11 -1.98 0.10 0.00 2.41 0.00 0.00 30.24 30.88 3c1c n GLN 468 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 3c1c h ARG 469 N 0.00 0.26 -0.40 3.69 2.43 0.01 -0.81 114.38 119.56 3c1c h ARG 469 Ca 0.38 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.50 3c1c h ARG 469 Cb 0.59 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 3c1c h ARG 469 CO -0.87 0.17 0.08 1.25 -1.51 0.00 0.00 179.97 179.09 3c1c h LEU 470 N 0.26 0.55 0.22 3.80 5.85 0.37 -2.84 115.31 123.52 3c1c h LEU 470 Ca 0.31 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3c1c h LEU 470 Cb 0.45 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3c1c h LEU 470 CO -0.39 0.57 -0.10 0.58 -0.34 0.00 0.00 178.44 178.75 3c1c h VAL 471 N 0.58 0.00 -0.93 1.05 2.07 0.04 -2.35 116.25 116.71 3c1c h VAL 471 Ca 0.13 -0.03 0.18 0.00 0.82 0.00 0.00 66.70 67.80 3c1c h VAL 471 Cb 0.25 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.84 3c1c h VAL 471 CO -0.00 0.00 -0.27 0.03 0.02 0.00 0.00 177.57 177.35 3c1c h ARG 472 N -0.32 -0.01 -0.30 1.57 3.08 -1.49 0.33 114.38 117.25 3c1c h ARG 472 Ca -0.03 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.07 3c1c h ARG 472 Cb 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 3c1c h ARG 472 CO 0.05 -0.00 0.02 0.93 -1.07 0.00 0.00 179.97 179.89 3c1c h GLU 473 N -0.01 0.11 -0.79 0.04 4.39 -1.51 0.70 114.58 117.51 3c1c h GLU 473 Ca 0.42 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.11 3c1c h GLU 473 Cb 0.66 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.25 3c1c h GLU 473 CO -0.96 0.07 0.47 0.82 -1.16 0.00 0.00 179.01 178.26 3c1c h ILE 474 N 0.11 1.22 -0.39 3.13 2.04 -0.51 -2.77 117.51 120.35 3c1c h ILE 474 Ca 0.14 -0.49 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 3c1c h ILE 474 Cb 0.18 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 3c1c h ILE 474 CO -0.22 0.23 -0.05 0.00 0.00 0.00 0.00 178.15 178.12 3c1c h ALA 475 N 1.43 0.53 0.00 1.87 0.00 0.59 -3.11 119.26 120.57 3c1c h ALA 475 Ca 0.28 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3c1c h ALA 475 Cb -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3c1c h ALA 475 CO -0.05 0.35 0.00 1.04 0.00 0.00 0.00 179.25 180.59 3c1c n GLN 476 N -4.40 0.00 -0.07 0.00 1.13 0.23 -0.44 117.38 113.82 3c1c n GLN 476 Ca -0.01 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.13 3c1c n GLN 476 Cb 0.32 -1.17 0.11 0.00 0.11 0.00 0.00 30.24 29.61 3c1c n GLN 476 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3c1c n ASP 477 N -0.59 2.63 -0.00 1.08 10.43 -1.17 -4.70 116.55 124.24 3c1c n ASP 477 Ca 0.00 -1.77 0.03 0.00 2.57 0.00 0.00 54.79 55.62 3c1c n ASP 477 Cb 0.00 -0.10 -0.04 0.00 1.84 0.00 0.00 41.12 42.83 3c1c n ASP 477 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3c1c n PHE 478 N 0.93 0.00 -4.14 1.24 3.72 0.41 -5.18 117.46 114.44 3c1c n PHE 478 Ca 0.12 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.41 3c1c n PHE 478 Cb 0.43 -0.05 -0.09 0.00 -0.94 0.00 0.00 39.48 38.84 3c1c n PHE 478 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3c1c s THR 480 N -1.82 0.03 -1.50 4.37 2.01 -1.26 -5.20 115.64 112.27 3c1c s THR 480 Ca 0.01 -1.83 -0.11 0.00 0.31 0.00 0.00 61.69 60.06 3c1c s THR 480 Cb 0.04 -2.28 0.07 0.00 0.01 0.00 0.00 72.50 70.34 3c1c s THR 480 CO 0.23 -0.15 0.87 -0.67 -0.69 0.00 0.00 174.62 174.21 3c1c n ASP 481 N -0.24 -3.65 -4.73 3.53 2.03 -1.26 -4.95 116.55 107.29 3c1c n ASP 481 Ca -0.01 -0.83 -0.24 0.00 0.52 0.00 0.00 54.79 54.23 3c1c n ASP 481 Cb 0.65 -3.74 0.09 0.00 -0.72 0.00 0.00 41.12 37.40 3c1c n ASP 481 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3c1c s LEU 482 N -7.15 2.98 0.04 -2.67 1.43 -1.26 -5.12 118.68 106.93 3c1c s LEU 482 Ca 0.50 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 3c1c s LEU 482 Cb -0.25 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 3c1c s LEU 482 CO 0.84 -1.75 -0.04 -0.13 0.23 0.00 0.00 176.35 175.51 3c1c s ARG 483 N -5.16 0.50 -0.09 1.70 0.52 -1.26 -5.16 118.95 110.00 3c1c s ARG 483 Ca 0.64 -0.92 0.01 0.00 -0.52 0.00 0.00 55.73 54.94 3c1c s ARG 483 Cb -0.07 0.07 0.02 0.00 0.52 0.00 0.00 34.95 35.49 3c1c s ARG 483 CO 0.44 -0.06 -0.11 -0.06 0.02 0.00 0.00 175.30 175.53 3c1c s PHE 484 N -2.56 1.59 0.23 -0.53 0.40 -1.26 -5.10 117.98 110.74 3c1c s PHE 484 Ca -0.04 -0.70 -0.31 0.00 -0.60 0.00 0.00 56.93 55.28 3c1c s PHE 484 Cb -0.02 -1.20 -0.11 0.00 0.51 0.00 0.00 43.02 42.20 3c1c s PHE 484 CO -0.05 -0.40 1.55 -0.65 0.70 0.00 0.00 175.22 176.37 3c1c s GLN 485 N 1.07 4.20 0.36 0.44 -0.21 -1.26 -4.80 119.66 119.46 3c1c s GLN 485 Ca -0.06 2.42 0.09 0.00 0.02 0.00 0.00 55.36 57.82 3c1c s GLN 485 Cb -0.15 -3.10 0.82 0.00 1.00 0.00 0.00 33.01 31.59 3c1c s GLN 485 CO -0.01 -0.56 1.87 0.66 -2.12 0.00 0.00 175.29 175.13 3c1c h SER 486 N 5.73 0.65 -0.08 5.90 4.64 -2.00 0.54 113.55 128.92 3c1c h SER 486 Ca -0.45 0.04 0.02 0.00 -0.47 0.00 0.00 61.79 60.93 3c1c h SER 486 Cb 1.21 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3c1c h SER 486 CO 0.84 0.33 0.08 0.77 -0.87 0.00 0.00 176.83 177.99 3c1c h SER 487 N 0.69 0.00 1.45 4.97 4.64 -2.00 0.02 113.55 123.31 3c1c h SER 487 Ca 0.44 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.69 3c1c h SER 487 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3c1c h SER 487 CO -0.20 0.00 -0.57 0.00 -0.87 0.00 0.00 176.83 175.19 3c1c h ALA 488 N 1.91 0.74 0.04 5.18 0.00 -0.27 -2.72 119.26 124.13 3c1c h ALA 488 Ca 0.04 -0.31 -0.27 0.00 0.00 0.00 0.00 54.91 54.37 3c1c h ALA 488 Cb 0.20 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.03 3c1c h ALA 488 CO -0.00 0.39 -1.09 0.28 0.00 0.00 0.00 179.25 178.82 3c1c h VAL 489 N 0.00 1.30 -0.23 0.00 2.07 -0.67 -2.82 116.25 115.91 3c1c h VAL 489 Ca -0.03 -2.35 -0.00 0.00 0.82 0.00 0.00 66.70 65.14 3c1c h VAL 489 Cb 1.24 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 33.49 3c1c h VAL 489 CO 0.03 0.72 0.13 0.24 0.02 0.00 0.00 177.57 178.71 3c1c h MET 490 N 0.34 0.31 -0.02 1.57 2.86 -1.33 0.60 114.93 119.24 3c1c h MET 490 Ca -0.14 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.48 3c1c h MET 490 Cb 1.75 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 33.32 3c1c h MET 490 CO 0.21 0.27 -0.27 0.00 1.06 0.00 0.00 176.91 178.18 3c1c h ALA 491 N 1.02 -0.70 -0.93 6.32 0.00 -1.51 0.32 119.26 123.78 3c1c h ALA 491 Ca 0.08 -0.04 0.28 0.00 0.00 0.00 0.00 54.91 55.23 3c1c h ALA 491 Cb 0.04 0.75 -0.16 0.00 0.00 0.00 0.00 17.79 18.43 3c1c h ALA 491 CO -0.01 -0.79 0.28 -0.07 0.00 0.00 0.00 179.25 178.66 3c1c h LEU 492 N -0.32 0.02 -0.14 0.00 4.07 -1.29 0.21 115.31 117.87 3c1c h LEU 492 Ca 0.01 0.22 -0.10 0.00 0.08 0.00 0.00 57.88 58.09 3c1c h LEU 492 Cb 0.35 0.29 0.00 0.00 1.08 0.00 0.00 40.66 42.38 3c1c h LEU 492 CO -0.19 -0.22 -0.30 -0.61 -1.08 0.00 0.00 178.44 176.03 3c1c h GLN 493 N 0.16 0.45 -0.97 1.13 4.15 0.08 -0.92 115.11 119.18 3c1c h GLN 493 Ca 0.62 -0.30 0.12 0.00 0.77 0.00 0.00 58.65 59.86 3c1c h GLN 493 Cb 1.35 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 29.00 3c1c h GLN 493 CO -0.71 0.90 0.62 0.93 -1.93 0.00 0.00 178.83 178.64 3c1c h GLU 494 N 0.05 0.93 -0.11 1.69 4.39 0.15 -1.46 114.58 120.23 3c1c h GLU 494 Ca 0.00 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 3c1c h GLU 494 Cb 0.90 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 3c1c h GLU 494 CO 0.07 0.62 -0.23 0.00 -1.16 0.00 0.00 179.01 178.30 3c1c h ALA 495 N 1.54 0.17 0.04 3.43 0.00 -0.58 -2.87 119.26 120.99 3c1c h ALA 495 Ca 0.47 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3c1c h ALA 495 Cb 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3c1c h ALA 495 CO -0.24 0.14 -0.02 0.77 0.00 0.00 0.00 179.25 179.90 3c1c h SER 496 N -0.10 -0.04 -0.38 0.00 0.02 -0.90 -2.17 113.55 109.98 3c1c h SER 496 Ca 0.00 -0.42 0.06 0.00 -0.84 0.00 0.00 61.79 60.58 3c1c h SER 496 Cb 0.82 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.29 3c1c h SER 496 CO 0.05 0.41 -0.50 -0.33 -1.14 0.00 0.00 176.83 175.32 3c1c h GLU 497 N -0.51 -0.37 -0.72 3.45 5.08 -1.40 0.14 114.58 120.24 3c1c h GLU 497 Ca -0.01 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 3c1c h GLU 497 Cb 0.47 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.68 3c1c h GLU 497 CO 0.01 -0.25 -0.43 0.00 -1.00 0.00 0.00 179.01 177.34 3c1c h ALA 498 N 0.13 -0.22 0.05 3.43 0.00 -1.48 0.20 119.26 121.37 3c1c h ALA 498 Ca 0.10 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.19 3c1c h ALA 498 Cb 0.60 1.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 3c1c h ALA 498 CO -0.57 -0.78 -0.27 -0.92 0.00 0.00 0.00 179.25 176.70 3c1c h TYR 499 N -0.14 -0.72 -0.41 0.00 3.20 -0.57 -0.43 116.97 117.89 3c1c h TYR 499 Ca 0.22 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.19 3c1c h TYR 499 Cb 0.55 0.31 -0.07 0.00 1.54 0.00 0.00 36.73 39.06 3c1c h TYR 499 CO -0.78 -0.36 -0.03 -0.07 -1.64 0.00 0.00 178.16 175.28 3c1c h LEU 500 N -0.44 -0.23 -0.24 2.82 3.38 0.79 0.24 115.31 121.63 3c1c h LEU 500 Ca 0.05 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.17 3c1c h LEU 500 Cb 0.50 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3c1c h LEU 500 CO -0.20 -0.07 -0.02 0.58 0.09 0.00 0.00 178.44 178.81 3c1c h VAL 501 N 0.08 0.80 0.00 1.22 2.07 -0.20 0.53 116.25 120.75 3c1c h VAL 501 Ca 0.20 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.68 3c1c h VAL 501 Cb 0.30 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3c1c h VAL 501 CO -0.36 0.01 -0.12 0.00 0.02 0.00 0.00 177.57 177.12 3c1c h ALA 502 N 1.22 1.22 0.10 1.67 0.00 -0.40 -2.09 119.26 120.98 3c1c h ALA 502 Ca 0.12 -0.11 -0.29 0.00 0.00 0.00 0.00 54.91 54.63 3c1c h ALA 502 Cb 0.16 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.95 3c1c h ALA 502 CO -0.21 0.15 -1.19 1.25 0.00 0.00 0.00 179.25 179.25 3c1c h LEU 503 N 0.00 0.79 -1.35 0.00 5.85 0.26 -2.77 115.31 118.10 3c1c h LEU 503 Ca -0.00 -0.72 0.00 0.00 0.84 0.00 0.00 57.88 58.00 3c1c h LEU 503 Cb 0.38 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3c1c h LEU 503 CO 0.02 1.53 0.00 -0.26 -0.34 0.00 0.00 178.44 179.39 3c1c h PHE 504 N 0.26 0.00 0.03 1.25 0.05 0.56 -1.55 116.94 117.53 3c1c h PHE 504 Ca -0.16 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.62 3c1c h PHE 504 Cb 1.86 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.81 3c1c h PHE 504 CO 0.10 0.00 -0.01 0.93 -0.18 0.00 0.00 178.31 179.15 3c1c h GLU 505 N 0.00 -0.04 0.00 1.51 5.08 -1.17 -1.99 114.58 117.98 3c1c h GLU 505 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3c1c h GLU 505 Cb 0.22 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3c1c h GLU 505 CO 0.00 0.62 -0.04 -0.44 -1.00 0.00 0.00 179.01 178.15 3c1c h ASP 506 N -0.94 0.00 0.08 1.42 3.32 -1.37 -1.93 116.42 117.00 3c1c h ASP 506 Ca -0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 3c1c h ASP 506 Cb 0.68 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.24 3c1c h ASP 506 CO 0.01 0.04 -0.60 0.74 -1.72 0.00 0.00 179.24 177.70 3c1c h THR 507 N 0.00 1.54 -0.00 0.35 2.02 -1.35 -2.52 112.91 112.96 3c1c h THR 507 Ca -0.00 -2.37 -0.02 0.00 0.77 0.00 0.00 66.41 64.80 3c1c h THR 507 Cb 0.36 3.08 -0.00 0.00 -1.74 0.00 0.00 68.15 69.85 3c1c h THR 507 CO 0.01 0.66 -0.07 -1.13 0.37 0.00 0.00 175.52 175.36 3c1c h ASN 508 N -0.42 0.00 -0.17 4.18 -1.24 -1.00 0.24 115.58 117.18 3c1c h ASN 508 Ca -0.10 -0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.83 3c1c h ASN 508 Cb 1.43 -0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.48 3c1c h ASN 508 CO 0.11 0.07 -0.21 -0.07 -1.29 0.00 0.00 177.43 176.05 3c1c h LEU 509 N 0.00 0.47 -1.24 0.34 3.38 -1.38 -2.46 115.31 114.43 3c1c h LEU 509 Ca 0.00 -0.51 0.03 0.00 0.09 0.00 0.00 57.88 57.49 3c1c h LEU 509 Cb 0.13 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3c1c h LEU 509 CO 0.01 0.88 0.53 0.00 0.09 0.00 0.00 178.44 179.95 3c1c h ALA 510 N 0.60 1.50 -0.44 1.53 0.00 -0.68 0.23 119.26 122.00 3c1c h ALA 510 Ca 0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3c1c h ALA 510 Cb 0.77 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3c1c h ALA 510 CO 0.05 0.43 0.07 0.00 0.00 0.00 0.00 179.25 179.80 3c1c h ALA 511 N 1.53 0.58 -0.38 0.00 0.00 -0.95 -2.62 119.26 117.42 3c1c h ALA 511 Ca 0.31 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3c1c h ALA 511 Cb -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3c1c h ALA 511 CO -0.09 0.31 -0.19 0.82 0.00 0.00 0.00 179.25 180.10 3c1c h ILE 512 N 0.59 1.27 -0.75 0.00 2.04 -0.92 -1.47 117.51 118.27 3c1c h ILE 512 Ca 0.13 -1.28 0.12 0.00 1.00 0.00 0.00 64.86 64.84 3c1c h ILE 512 Cb 0.39 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 3c1c h ILE 512 CO 0.01 0.43 0.49 -0.74 0.00 0.00 0.00 178.15 178.34 3c1c h HIS 513 N 0.65 0.61 -0.42 1.37 2.76 -0.25 0.52 115.15 120.40 3c1c h HIS 513 Ca 0.10 0.02 -0.20 0.00 -2.20 0.00 0.00 60.37 58.09 3c1c h HIS 513 Cb 0.68 -0.20 -0.12 0.00 1.55 0.00 0.00 27.41 29.33 3c1c h HIS 513 CO 0.03 0.27 0.25 0.00 -1.30 0.00 0.00 177.93 177.18 3c1c n ALA 514 N -2.48 3.77 -4.14 5.26 0.00 -0.62 -4.87 120.51 117.42 3c1c n ALA 514 Ca 0.13 -1.23 -0.32 0.00 0.00 0.00 0.00 53.44 52.03 3c1c n ALA 514 Cb 0.42 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 3c1c n ALA 514 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3c1c n LYS 515 N -0.16 -2.93 -1.79 0.00 5.02 0.18 -4.95 118.16 113.53 3c1c n LYS 515 Ca 0.25 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 3c1c n LYS 515 Cb 0.97 -4.73 0.00 0.00 -0.02 0.00 0.00 35.03 31.26 3c1c n LYS 515 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3c1c n ARG 516 N -4.40 1.67 0.00 1.97 1.74 -0.77 -5.01 116.66 111.86 3c1c n ARG 516 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 3c1c n ARG 516 Cb 0.58 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.02 3c1c n ARG 516 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3c1c n VAL 517 N 0.00 0.00 -3.97 1.55 0.31 -1.26 -4.21 118.33 110.75 3c1c n VAL 517 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 3c1c n VAL 517 Cb 0.00 1.12 -0.14 0.00 -0.91 0.00 0.00 33.84 33.90 3c1c n VAL 517 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3c1c s THR 518 N 0.00 2.94 0.22 2.52 2.01 -1.26 -5.05 115.64 117.03 3c1c s THR 518 Ca 0.00 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 3c1c s THR 518 Cb 0.00 -2.38 -0.09 0.00 0.01 0.00 0.00 72.50 70.04 3c1c s THR 518 CO 0.00 0.36 1.18 0.27 -0.69 0.00 0.00 174.62 175.74 3c1c s ILE 519 N 1.39 3.47 0.13 1.82 -4.36 -1.26 -4.94 121.20 117.44 3c1c s ILE 519 Ca 0.04 1.31 0.04 0.00 -0.26 0.00 0.00 60.65 61.78 3c1c s ILE 519 Cb -0.15 -3.84 -0.04 0.00 1.25 0.00 0.00 42.46 39.68 3c1c s ILE 519 CO -0.06 0.25 -0.10 -0.04 0.24 0.00 0.00 174.94 175.23 3c1c s MET 520 N -0.69 0.99 0.25 0.37 -1.94 -1.26 -5.01 119.30 112.01 3c1c s MET 520 Ca 0.50 -1.35 -0.11 0.00 -1.71 0.00 0.00 55.69 53.02 3c1c s MET 520 Cb -0.33 -0.62 0.36 0.00 2.01 0.00 0.00 34.83 36.25 3c1c s MET 520 CO 0.39 0.08 1.47 -2.30 -0.01 0.00 0.00 175.02 174.66 3c1c n PRO 521 N 0.08 -0.13 -0.37 2.03 -0.02 -1.26 0.17 135.00 135.50 3c1c n PRO 521 Ca -0.12 1.47 0.29 0.00 -2.02 0.00 0.00 63.50 63.12 3c1c n PRO 521 Cb 0.59 -2.19 0.59 0.00 -0.02 0.00 0.00 33.50 32.48 3c1c n PRO 521 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3c1c h LYS 522 N 0.00 0.23 -0.08 -0.52 6.56 -1.97 0.83 116.57 121.62 3c1c h LYS 522 Ca 0.41 -0.01 -0.23 0.00 -1.06 0.00 0.00 60.65 59.76 3c1c h LYS 522 Cb 0.65 -0.05 0.01 0.00 -0.57 0.00 0.00 32.23 32.27 3c1c h LYS 522 CO -0.96 0.15 -0.83 -0.44 -2.06 0.00 0.00 179.45 175.31 3c1c h ASP 523 N 0.24 0.86 -0.35 0.86 3.32 0.14 0.78 116.42 122.27 3c1c h ASP 523 Ca 0.66 -0.68 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 3c1c h ASP 523 Cb 1.97 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 41.25 3c1c h ASP 523 CO -0.28 1.42 -0.04 0.40 -1.72 0.00 0.00 179.24 179.01 3c1c h ILE 524 N 0.38 1.27 0.46 0.35 2.04 0.42 -1.92 117.51 120.52 3c1c h ILE 524 Ca -0.08 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 3c1c h ILE 524 Cb 1.48 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 3c1c h ILE 524 CO 0.17 0.35 -0.28 1.56 0.00 0.00 0.00 178.15 179.95 3c1c h GLN 525 N 0.44 -0.67 -0.95 2.37 4.20 0.36 -1.26 115.11 119.60 3c1c h GLN 525 Ca 0.09 0.05 0.19 0.00 0.06 0.00 0.00 58.65 59.04 3c1c h GLN 525 Cb 0.52 0.15 -0.11 0.00 0.30 0.00 0.00 27.48 28.35 3c1c h GLN 525 CO 0.03 -0.45 0.54 1.25 -0.67 0.00 0.00 178.83 179.53 3c1c h LEU 526 N -0.70 0.66 0.28 1.46 5.85 -0.71 0.22 115.31 122.36 3c1c h LEU 526 Ca -0.05 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3c1c h LEU 526 Cb 0.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3c1c h LEU 526 CO 0.06 0.21 -0.13 0.00 -0.34 0.00 0.00 178.44 178.23 3c1c h ALA 527 N 1.64 -0.38 -0.82 1.25 0.00 -1.09 -2.57 119.26 117.30 3c1c h ALA 527 Ca 0.56 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 55.44 3c1c h ALA 527 Cb 0.90 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 3c1c h ALA 527 CO -0.41 -0.48 0.55 0.00 0.00 0.00 0.00 179.25 178.91 3c1c h ARG 528 N -0.83 0.41 -0.23 0.00 3.08 -0.51 0.54 114.38 116.84 3c1c h ARG 528 Ca -0.04 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3c1c h ARG 528 Cb 0.51 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3c1c h ARG 528 CO 0.06 0.27 0.01 -0.09 -1.07 0.00 0.00 179.97 179.15 3c1c h ARG 529 N 0.42 0.40 -0.42 0.04 9.65 -0.97 -1.59 114.38 121.91 3c1c h ARG 529 Ca 0.41 -0.13 -0.14 0.00 -1.10 0.00 0.00 59.98 59.03 3c1c h ARG 529 Cb 0.98 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.51 3c1c h ARG 529 CO -0.14 0.58 -0.30 0.82 2.80 0.00 0.00 179.97 183.73 3c1c h ILE 530 N 0.18 1.27 0.00 1.20 2.04 -0.48 -1.95 117.51 119.76 3c1c h ILE 530 Ca 0.07 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.46 3c1c h ILE 530 Cb 0.39 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3c1c h ILE 530 CO 0.01 0.49 0.00 0.54 0.00 0.00 0.00 178.15 179.20 3c1c n ARG 531 N -4.08 0.02 -0.93 2.37 1.74 0.17 -4.75 116.66 111.19 3c1c n ARG 531 Ca -0.01 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 3c1c n ARG 531 Cb 0.50 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 3c1c n ARG 531 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3c1c n GLY 532 N -1.48 0.80 0.00 -0.13 0.00 -0.73 -4.79 105.19 98.85 3c1c n GLY 532 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3c1c n GLY 532 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3c1c n GLU 533 N -2.04 0.06 -0.56 1.61 2.13 -0.63 -4.77 120.64 116.44 3c1c n GLU 533 Ca 0.00 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.10 3c1c n GLU 533 Cb 0.01 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.22 3c1c n GLU 533 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3c1c n ARG 534 N -1.39 0.00 0.00 5.31 0.00 -1.16 -4.99 116.66 114.43 3c1c n ARG 534 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 3c1c n ARG 534 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.55 3c1c n ARG 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63