#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3a n HIS 439 N 0.00 1.54 -4.22 6.00 -0.00 -1.26 -4.98 115.22 112.30 1p3a n HIS 439 Ca 0.00 0.63 -0.17 0.00 -0.00 0.00 0.00 57.72 58.18 1p3a n HIS 439 Cb 0.00 -2.34 -0.14 0.00 -0.00 0.00 0.00 29.99 27.51 1p3a n HIS 439 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1p3a s ARG 440 N 0.56 0.56 0.48 1.57 3.52 -1.26 -5.16 118.95 119.23 1p3a s ARG 440 Ca 0.85 -0.33 -0.09 0.00 -0.13 0.00 0.00 55.73 56.03 1p3a s ARG 440 Cb -0.95 -0.51 -0.05 0.00 -1.56 0.00 0.00 34.95 31.87 1p3a s ARG 440 CO 0.47 0.14 0.85 0.71 -0.81 0.00 0.00 175.30 176.65 1p3a s TYR 441 N -0.34 3.53 0.39 5.12 1.51 -1.26 -5.07 117.35 121.23 1p3a s TYR 441 Ca 0.01 1.06 -0.06 0.00 -1.01 0.00 0.00 57.07 57.06 1p3a s TYR 441 Cb -0.04 -2.48 -0.05 0.00 -0.11 0.00 0.00 41.96 39.28 1p3a s TYR 441 CO -0.00 -0.31 0.69 1.03 -1.11 0.00 0.00 175.55 175.85 1p3a s ARG 442 N -4.44 3.64 0.11 -0.62 0.52 -1.26 -4.99 118.95 111.91 1p3a s ARG 442 Ca 0.51 0.18 -0.36 0.00 -0.52 0.00 0.00 55.73 55.55 1p3a s ARG 442 Cb -0.10 -2.49 -0.16 0.00 0.52 0.00 0.00 34.95 32.71 1p3a s ARG 442 CO 0.40 0.01 1.30 -2.30 0.02 0.00 0.00 175.30 174.73 1p3a n PRO 443 N -1.50 1.18 0.00 3.54 -0.02 -1.26 -1.33 135.00 135.61 1p3a n PRO 443 Ca -0.00 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1p3a n PRO 443 Cb 0.54 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1p3a n PRO 443 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p3a n GLY 444 N 2.40 2.43 0.17 -1.23 0.00 -1.26 -4.88 105.19 102.83 1p3a n GLY 444 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 1p3a n GLY 444 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1p3a h THR 445 N 0.00 1.35 -0.20 2.61 2.02 -1.59 -2.18 112.91 114.93 1p3a h THR 445 Ca 0.00 -2.05 -0.20 0.00 0.77 0.00 0.00 66.41 64.93 1p3a h THR 445 Cb 0.00 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1p3a h THR 445 CO 0.00 0.62 -0.68 0.58 0.37 0.00 0.00 175.52 176.41 1p3a h VAL 446 N 0.16 1.29 -0.14 3.16 2.07 -1.90 -2.46 116.25 118.43 1p3a h VAL 446 Ca -0.08 -1.89 -0.00 0.00 0.82 0.00 0.00 66.70 65.55 1p3a h VAL 446 Cb 1.39 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 1p3a h VAL 446 CO 0.14 0.60 0.08 0.00 0.02 0.00 0.00 177.57 178.42 1p3a h ALA 447 N 0.67 0.17 -0.78 1.67 0.00 -1.92 0.34 119.26 119.42 1p3a h ALA 447 Ca -0.02 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1p3a h ALA 447 Cb 1.29 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1p3a h ALA 447 CO 0.14 -0.32 0.51 1.25 0.00 0.00 0.00 179.25 180.83 1p3a h LEU 448 N 0.15 0.79 -0.67 0.00 5.85 -1.39 0.32 115.31 120.36 1p3a h LEU 448 Ca 0.05 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.62 1p3a h LEU 448 Cb 0.03 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1p3a h LEU 448 CO -0.01 0.53 -0.54 0.08 -0.34 0.00 0.00 178.44 178.16 1p3a h ARG 449 N 0.91 0.35 -0.63 1.25 0.11 -0.82 -2.48 114.38 113.08 1p3a h ARG 449 Ca 0.32 -0.22 -0.07 0.00 0.10 0.00 0.00 59.98 60.12 1p3a h ARG 449 Cb 0.11 0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.19 1p3a h ARG 449 CO -0.10 0.80 0.14 0.93 0.10 0.00 0.00 179.97 181.84 1p3a h GLU 450 N 0.27 1.01 0.26 0.08 5.08 0.29 -0.89 114.58 120.68 1p3a h GLU 450 Ca 0.01 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1p3a h GLU 450 Cb 1.04 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1p3a h GLU 450 CO 0.09 0.93 -0.32 0.82 -1.00 0.00 0.00 179.01 179.53 1p3a h ILE 451 N 0.93 0.00 -0.99 3.13 2.04 -0.28 0.15 117.51 122.49 1p3a h ILE 451 Ca 0.19 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.18 1p3a h ILE 451 Cb 0.38 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.32 1p3a h ILE 451 CO 0.01 0.00 -0.48 0.03 0.00 0.00 0.00 178.15 177.71 1p3a h ARG 452 N -0.60 -0.01 -0.00 2.37 2.47 -1.38 -1.27 114.38 115.96 1p3a h ARG 452 Ca -0.03 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1p3a h ARG 452 Cb 0.54 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.82 1p3a h ARG 452 CO -0.07 -0.00 -0.33 -0.09 0.56 0.00 0.00 179.97 180.03 1p3a h ARG 453 N -0.01 -0.40 0.00 0.04 2.43 -0.49 -2.90 114.38 113.06 1p3a h ARG 453 Ca 0.26 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1p3a h ARG 453 Cb 0.52 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1p3a h ARG 453 CO -0.96 -0.27 0.00 1.88 -1.51 0.00 0.00 179.97 179.11 1p3a h TYR 454 N -0.42 0.00 -0.00 2.20 -1.99 -0.03 -2.49 116.97 114.25 1p3a h TYR 454 Ca 0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1p3a h TYR 454 Cb 0.45 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.18 1p3a h TYR 454 CO -0.46 0.00 -0.06 1.04 -0.00 0.00 0.00 178.16 178.68 1p3a n GLN 455 N -2.42 0.57 -0.12 4.88 6.02 -0.54 -3.66 117.38 122.11 1p3a n GLN 455 Ca 0.01 -0.11 -0.25 0.00 -0.01 0.00 0.00 57.00 56.64 1p3a n GLN 455 Cb 0.20 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.85 1p3a n GLN 455 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1p3a n LYS 456 N -1.12 0.60 -0.93 -1.09 5.02 -0.94 -4.98 118.16 114.72 1p3a n LYS 456 Ca 0.15 0.35 -0.29 0.00 -2.02 0.00 0.00 58.31 56.49 1p3a n LYS 456 Cb 0.25 -1.59 0.18 0.00 -0.02 0.00 0.00 35.03 33.85 1p3a n LYS 456 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1p3a s SER 457 N -7.15 2.54 0.00 4.39 1.04 -1.20 -4.99 113.70 108.32 1p3a s SER 457 Ca -0.34 1.56 0.00 0.00 0.48 0.00 0.00 55.95 57.65 1p3a s SER 457 Cb 0.11 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 64.00 1p3a s SER 457 CO 0.56 -3.24 0.35 0.35 0.98 0.00 0.00 173.24 172.24 1p3a n THR 458 N -4.28 0.05 -1.69 2.02 -2.24 -1.26 -4.97 114.28 101.90 1p3a n THR 458 Ca 0.06 -0.33 -0.32 0.00 -2.27 0.00 0.00 64.05 61.19 1p3a n THR 458 Cb 0.55 1.33 0.04 0.00 -2.10 0.00 0.00 70.33 70.15 1p3a n THR 458 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1p3a s GLU 459 N -0.05 3.00 0.51 -0.78 4.04 -1.26 -4.97 118.70 119.19 1p3a s GLU 459 Ca 0.00 1.05 -0.22 0.00 0.04 0.00 0.00 54.97 55.84 1p3a s GLU 459 Cb 0.00 -2.00 -0.07 0.00 0.02 0.00 0.00 34.13 32.08 1p3a s GLU 459 CO 0.00 -1.06 1.21 1.28 -1.84 0.00 0.00 175.26 174.85 1p3a n LEU 460 N -2.82 4.34 -0.10 1.83 4.77 -1.26 -4.88 117.00 118.88 1p3a n LEU 460 Ca 0.08 0.99 0.07 0.00 -0.03 0.00 0.00 56.01 57.12 1p3a n LEU 460 Cb 0.53 -1.49 -0.06 0.00 -2.33 0.00 0.00 43.42 40.07 1p3a n LEU 460 CO 0.53 -0.98 0.04 0.18 -1.33 0.00 0.00 177.39 175.83 1p3a n LEU 461 N -0.41 0.97 -4.71 2.23 4.77 -1.26 -4.92 117.00 113.67 1p3a n LEU 461 Ca 0.10 -0.57 -0.35 0.00 -0.03 0.00 0.00 56.01 55.16 1p3a n LEU 461 Cb 0.43 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 1p3a n LEU 461 CO 0.55 0.22 -0.28 -0.63 -1.33 0.00 0.00 177.39 175.91 1p3a s ILE 462 N -2.31 4.54 0.26 -0.08 1.01 -1.26 -5.08 121.20 118.27 1p3a s ILE 462 Ca 0.08 -0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 1p3a s ILE 462 Cb 0.12 -2.94 -0.10 0.00 0.01 0.00 0.00 42.46 39.56 1p3a s ILE 462 CO 0.57 0.59 1.41 -0.13 0.00 0.00 0.00 174.94 177.39 1p3a s ARG 463 N -0.76 4.29 0.16 2.79 0.52 -1.26 -4.94 118.95 119.74 1p3a s ARG 463 Ca 0.12 2.27 -0.19 0.00 -0.52 0.00 0.00 55.73 57.40 1p3a s ARG 463 Cb -0.12 -3.11 0.07 0.00 0.52 0.00 0.00 34.95 32.31 1p3a s ARG 463 CO 0.02 -0.37 1.65 0.87 0.02 0.00 0.00 175.30 177.49 1p3a h LYS 464 N 4.84 -0.11 -0.02 3.54 1.57 -1.98 -3.09 116.57 121.32 1p3a h LYS 464 Ca -0.46 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1p3a h LYS 464 Cb 1.22 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 1p3a h LYS 464 CO 0.76 -0.08 0.01 1.25 -0.57 0.00 0.00 179.45 180.82 1p3a h LEU 465 N -0.12 0.02 -1.52 2.94 5.85 -1.99 -0.10 115.31 120.39 1p3a h LEU 465 Ca 0.17 -0.20 0.13 0.00 0.84 0.00 0.00 57.88 58.82 1p3a h LEU 465 Cb 0.38 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1p3a h LEU 465 CO -0.41 0.21 0.49 -0.65 -0.34 0.00 0.00 178.44 177.74 1p3a h PRO 466 N -0.17 0.48 -0.27 5.25 0.11 -1.97 -1.13 132.00 134.29 1p3a h PRO 466 Ca 0.01 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.90 1p3a h PRO 466 Cb 0.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1p3a h PRO 466 CO -0.00 0.32 -0.54 0.35 -0.21 0.00 0.00 178.00 177.92 1p3a h PHE 467 N 0.50 1.07 -0.51 0.65 3.57 -1.40 -2.44 116.94 118.38 1p3a h PHE 467 Ca 0.36 -0.39 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 1p3a h PHE 467 Cb 0.70 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1p3a h PHE 467 CO -0.00 1.21 0.07 0.37 -2.23 0.00 0.00 178.31 177.73 1p3a h GLN 468 N 0.62 0.81 -0.56 1.11 4.15 0.06 -1.38 115.11 119.92 1p3a h GLN 468 Ca 0.01 -0.19 -0.05 0.00 0.77 0.00 0.00 58.65 59.19 1p3a h GLN 468 Cb 1.15 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.70 1p3a h GLN 468 CO 0.12 0.76 0.14 0.00 -1.93 0.00 0.00 178.83 177.92 1p3a h ARG 469 N 0.77 0.90 -0.30 1.69 3.08 -1.15 -1.56 114.38 117.81 1p3a h ARG 469 Ca 0.16 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1p3a h ARG 469 Cb 0.36 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1p3a h ARG 469 CO 0.01 0.84 0.12 1.25 -1.07 0.00 0.00 179.97 181.12 1p3a h LEU 470 N 0.80 0.40 -0.23 3.04 5.85 -0.90 -2.40 115.31 121.87 1p3a h LEU 470 Ca 0.18 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1p3a h LEU 470 Cb 0.34 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1p3a h LEU 470 CO 0.00 0.45 -0.00 0.58 -0.34 0.00 0.00 178.44 179.13 1p3a h VAL 471 N 0.33 0.83 -1.00 1.05 2.07 -1.15 -2.24 116.25 116.14 1p3a h VAL 471 Ca 0.10 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1p3a h VAL 471 Cb 0.17 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 1p3a h VAL 471 CO -0.01 0.01 0.66 0.03 0.02 0.00 0.00 177.57 178.28 1p3a h ARG 472 N 0.07 1.26 -0.38 1.57 3.08 -1.16 -1.28 114.38 117.54 1p3a h ARG 472 Ca 0.11 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 59.95 1p3a h ARG 472 Cb 0.14 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1p3a h ARG 472 CO -0.19 0.84 -0.30 1.49 -1.07 0.00 0.00 179.97 180.74 1p3a h GLU 473 N 1.30 0.83 -0.17 0.04 4.81 -1.24 -0.92 114.58 119.24 1p3a h GLU 473 Ca 0.39 -0.38 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 1p3a h GLU 473 Cb -0.05 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1p3a h GLU 473 CO -0.11 1.02 -0.58 0.82 -0.73 0.00 0.00 179.01 179.43 1p3a h ILE 474 N 0.70 1.33 -0.56 2.32 2.04 -1.13 -3.11 117.51 119.11 1p3a h ILE 474 Ca 0.08 -1.85 -0.06 0.00 1.00 0.00 0.00 64.86 64.03 1p3a h ILE 474 Cb 0.85 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 1p3a h ILE 474 CO 0.07 0.57 0.11 0.00 0.00 0.00 0.00 178.15 178.91 1p3a h ALA 475 N 0.97 0.74 -1.06 1.87 0.00 -0.96 -2.87 119.26 117.96 1p3a h ALA 475 Ca 0.00 -0.23 0.28 0.00 0.00 0.00 0.00 54.91 54.96 1p3a h ALA 475 Cb 1.12 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.61 1p3a h ALA 475 CO 0.11 0.46 0.69 0.37 0.00 0.00 0.00 179.25 180.88 1p3a h GLN 476 N 0.81 0.32 0.00 0.00 5.75 -1.10 0.80 115.11 121.69 1p3a h GLN 476 Ca 0.17 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 1p3a h GLN 476 Cb 0.38 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.86 1p3a h GLN 476 CO 0.01 0.21 0.00 -0.44 -2.65 0.00 0.00 178.83 175.96 1p3a h ASP 477 N 0.33 0.00 0.00 -0.69 3.45 -1.54 -3.16 116.42 114.81 1p3a h ASP 477 Ca 0.59 0.00 -0.35 0.00 0.43 0.00 0.00 57.03 57.70 1p3a h ASP 477 Cb 1.62 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 40.33 1p3a h ASP 477 CO -0.26 0.00 -2.32 0.49 -1.57 0.00 0.00 179.24 175.59 1p3a n PHE 478 N -2.30 0.00 -3.52 4.55 0.99 0.27 -4.97 117.46 112.47 1p3a n PHE 478 Ca 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.47 1p3a n PHE 478 Cb 0.26 -0.92 -0.04 0.00 -1.00 0.00 0.00 39.48 37.78 1p3a n PHE 478 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1p3a s LYS 479 N -2.46 0.41 0.73 -1.08 2.20 -0.52 -5.14 119.74 113.88 1p3a s LYS 479 Ca -0.19 0.97 -0.11 0.00 -0.36 0.00 0.00 55.97 56.28 1p3a s LYS 479 Cb 0.07 0.51 0.03 0.00 -1.51 0.00 0.00 37.83 36.93 1p3a s LYS 479 CO 0.67 -0.13 1.07 0.95 -0.36 0.00 0.00 175.35 177.55 1p3a s THR 480 N 2.41 3.75 -1.16 3.43 -4.23 -1.25 -4.28 115.64 114.31 1p3a s THR 480 Ca -0.05 0.57 -0.04 0.00 -1.18 0.00 0.00 61.69 60.99 1p3a s THR 480 Cb -0.07 -3.29 -0.03 0.00 1.34 0.00 0.00 72.50 70.45 1p3a s THR 480 CO -0.18 -0.74 0.91 -0.67 -0.54 0.00 0.00 174.62 173.40 1p3a n ASP 481 N -3.24 -3.79 -4.82 3.99 2.03 -1.26 -5.00 116.55 104.46 1p3a n ASP 481 Ca 0.07 -0.72 -0.30 0.00 0.52 0.00 0.00 54.79 54.36 1p3a n ASP 481 Cb 0.54 -4.85 -0.06 0.00 -0.72 0.00 0.00 41.12 36.03 1p3a n ASP 481 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1p3a s LEU 482 N -6.07 3.95 -0.04 -2.67 1.43 -1.26 -5.11 118.68 108.90 1p3a s LEU 482 Ca 0.20 0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.41 1p3a s LEU 482 Cb -0.03 -2.61 -0.01 0.00 0.03 0.00 0.00 46.19 43.57 1p3a s LEU 482 CO 0.76 0.17 -0.19 -0.13 0.23 0.00 0.00 176.35 177.18 1p3a s ARG 483 N -2.45 1.96 -0.15 1.70 0.52 -1.26 -5.10 118.95 114.16 1p3a s ARG 483 Ca 0.31 -0.69 -0.04 0.00 -0.52 0.00 0.00 55.73 54.79 1p3a s ARG 483 Cb -0.12 -1.70 -0.03 0.00 0.52 0.00 0.00 34.95 33.61 1p3a s ARG 483 CO 0.24 0.29 -0.01 -0.06 0.02 0.00 0.00 175.30 175.78 1p3a s PHE 484 N -0.05 3.11 0.64 -0.53 0.40 -1.26 -5.10 117.98 115.18 1p3a s PHE 484 Ca -0.03 -0.11 -0.17 0.00 -0.60 0.00 0.00 56.93 56.02 1p3a s PHE 484 Cb -0.12 -1.95 -0.01 0.00 0.51 0.00 0.00 43.02 41.45 1p3a s PHE 484 CO 0.02 0.11 1.17 -0.65 0.70 0.00 0.00 175.22 176.57 1p3a s GLN 485 N 0.11 2.76 0.21 0.44 -0.21 -1.26 -4.90 119.66 116.82 1p3a s GLN 485 Ca 0.01 1.66 -0.09 0.00 0.02 0.00 0.00 55.36 56.96 1p3a s GLN 485 Cb -0.13 -1.92 0.31 0.00 1.00 0.00 0.00 33.01 32.27 1p3a s GLN 485 CO 0.02 -1.33 1.74 1.03 -2.12 0.00 0.00 175.29 174.63 1p3a h SER 486 N 0.39 0.22 0.38 5.90 0.87 -2.01 -2.01 113.55 117.29 1p3a h SER 486 Ca -0.49 0.09 -0.12 0.00 -1.23 0.00 0.00 61.79 60.04 1p3a h SER 486 Cb 1.28 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.29 1p3a h SER 486 CO 0.54 0.12 -0.51 0.77 -0.53 0.00 0.00 176.83 177.21 1p3a h SER 487 N 0.40 0.16 -0.56 6.23 4.64 -2.00 -2.95 113.55 119.47 1p3a h SER 487 Ca 0.33 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.51 1p3a h SER 487 Cb 0.42 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1p3a h SER 487 CO -0.33 0.65 0.16 0.00 -0.87 0.00 0.00 176.83 176.43 1p3a h ALA 488 N 1.36 0.74 -0.45 5.18 0.00 -1.73 -1.25 119.26 123.11 1p3a h ALA 488 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1p3a h ALA 488 Cb 0.95 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1p3a h ALA 488 CO 0.07 0.43 -0.17 0.28 0.00 0.00 0.00 179.25 179.86 1p3a h VAL 489 N 0.80 1.27 0.70 0.00 2.07 -1.49 -2.07 116.25 117.53 1p3a h VAL 489 Ca 0.18 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 1p3a h VAL 489 Cb 0.32 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1p3a h VAL 489 CO -0.00 0.44 -0.43 0.24 0.02 0.00 0.00 177.57 177.84 1p3a h MET 490 N 0.77 -1.03 -0.67 1.57 2.86 -1.32 -0.70 114.93 116.41 1p3a h MET 490 Ca 0.11 0.07 0.08 0.00 -2.06 0.00 0.00 59.70 57.91 1p3a h MET 490 Cb 0.70 0.23 -0.11 0.00 0.06 0.00 0.00 31.60 32.48 1p3a h MET 490 CO 0.05 -0.68 -0.50 0.00 1.06 0.00 0.00 176.91 176.83 1p3a h ALA 491 N -0.87 -0.47 -0.97 6.32 0.00 -1.19 0.29 119.26 122.37 1p3a h ALA 491 Ca -0.09 0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.09 1p3a h ALA 491 Cb 0.86 1.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.67 1p3a h ALA 491 CO 0.09 -0.91 0.61 -0.07 0.00 0.00 0.00 179.25 178.97 1p3a h LEU 492 N -0.20 0.72 -0.21 0.00 3.38 -1.20 0.19 115.31 117.99 1p3a h LEU 492 Ca 0.16 0.07 -0.16 0.00 0.09 0.00 0.00 57.88 58.04 1p3a h LEU 492 Cb 0.54 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1p3a h LEU 492 CO -0.75 0.30 -0.49 -0.61 0.09 0.00 0.00 178.44 176.97 1p3a h GLN 493 N 0.73 0.71 -0.88 1.13 4.15 0.87 0.12 115.11 121.93 1p3a h GLN 493 Ca 0.53 -0.48 0.03 0.00 0.77 0.00 0.00 58.65 59.50 1p3a h GLN 493 Cb 0.87 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.58 1p3a h GLN 493 CO -0.30 1.10 0.57 0.93 -1.93 0.00 0.00 178.83 179.20 1p3a h GLU 494 N 0.42 1.10 -0.08 1.69 4.39 0.49 -0.18 114.58 122.41 1p3a h GLU 494 Ca -0.00 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 1p3a h GLU 494 Cb 1.10 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1p3a h GLU 494 CO 0.11 0.73 -0.21 0.00 -1.16 0.00 0.00 179.01 178.47 1p3a h ALA 495 N 1.35 0.14 -0.39 3.43 0.00 -0.61 -2.45 119.26 120.73 1p3a h ALA 495 Ca 0.34 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1p3a h ALA 495 Cb -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1p3a h ALA 495 CO -0.10 0.10 0.25 0.77 0.00 0.00 0.00 179.25 180.27 1p3a h SER 496 N -0.18 0.43 -0.21 0.00 0.02 -0.41 0.52 113.55 113.71 1p3a h SER 496 Ca -0.00 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1p3a h SER 496 Cb 0.82 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1p3a h SER 496 CO 0.05 0.31 0.02 -0.33 -1.14 0.00 0.00 176.83 175.74 1p3a h GLU 497 N 0.51 0.36 -0.65 3.45 5.08 -1.15 0.61 114.58 122.80 1p3a h GLU 497 Ca 0.15 -0.10 0.12 0.00 -1.00 0.00 0.00 59.36 58.53 1p3a h GLU 497 Cb -0.04 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.08 1p3a h GLU 497 CO -0.04 0.52 0.16 0.00 -1.00 0.00 0.00 179.01 178.65 1p3a h ALA 498 N 0.82 0.80 0.35 3.43 0.00 -1.05 1.17 119.26 124.78 1p3a h ALA 498 Ca 0.06 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1p3a h ALA 498 Cb 0.34 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1p3a h ALA 498 CO 0.01 -0.30 -0.17 -0.92 0.00 0.00 0.00 179.25 177.87 1p3a h TYR 499 N 0.28 -0.44 -0.90 0.00 3.20 0.43 -2.99 116.97 116.55 1p3a h TYR 499 Ca 0.35 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.41 1p3a h TYR 499 Cb 0.53 0.14 -0.12 0.00 1.54 0.00 0.00 36.73 38.83 1p3a h TYR 499 CO -0.24 -0.27 0.44 -0.07 -1.64 0.00 0.00 178.16 176.37 1p3a h LEU 500 N -0.55 0.44 -0.20 2.82 3.38 0.94 -2.25 115.31 119.88 1p3a h LEU 500 Ca -0.05 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1p3a h LEU 500 Cb 0.36 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 1p3a h LEU 500 CO 0.08 0.07 -0.16 0.58 0.09 0.00 0.00 178.44 179.11 1p3a h VAL 501 N 0.49 0.56 -0.65 1.22 2.07 0.14 -1.21 116.25 118.86 1p3a h VAL 501 Ca 0.55 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.04 1p3a h VAL 501 Cb 0.98 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1p3a h VAL 501 CO -0.48 0.00 0.31 0.00 0.02 0.00 0.00 177.57 177.43 1p3a h ALA 502 N 0.96 1.32 -0.01 1.67 0.00 -1.27 -0.46 119.26 121.47 1p3a h ALA 502 Ca 0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1p3a h ALA 502 Cb 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1p3a h ALA 502 CO -0.30 0.53 -0.18 1.25 0.00 0.00 0.00 179.25 180.55 1p3a h LEU 503 N 0.92 0.02 -0.45 0.00 5.85 -0.91 -1.84 115.31 118.91 1p3a h LEU 503 Ca 0.23 -0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.77 1p3a h LEU 503 Cb 0.09 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1p3a h LEU 503 CO -0.03 0.20 -0.63 -0.26 -0.34 0.00 0.00 178.44 177.38 1p3a h PHE 504 N 0.02 0.66 -0.48 1.25 0.05 0.08 -2.16 116.94 116.36 1p3a h PHE 504 Ca 0.00 -0.26 -0.04 0.00 3.82 0.00 0.00 57.97 61.49 1p3a h PHE 504 Cb 0.34 -0.11 -0.02 0.00 2.00 0.00 0.00 35.95 38.15 1p3a h PHE 504 CO 0.00 1.00 0.14 0.93 -0.18 0.00 0.00 178.31 180.20 1p3a h GLU 505 N 0.37 0.76 -0.36 1.51 5.08 -0.81 -0.84 114.58 120.29 1p3a h GLU 505 Ca -0.01 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1p3a h GLU 505 Cb 1.19 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1p3a h GLU 505 CO 0.12 0.73 -0.04 -0.44 -1.00 0.00 0.00 179.01 178.37 1p3a h ASP 506 N 0.65 0.55 -0.36 1.42 3.32 -1.39 -1.82 116.42 118.79 1p3a h ASP 506 Ca 0.15 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1p3a h ASP 506 Cb 0.29 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1p3a h ASP 506 CO -0.00 0.65 0.02 0.74 -1.72 0.00 0.00 179.24 178.93 1p3a h THR 507 N 0.54 1.25 -0.25 0.35 2.02 -0.95 -1.56 112.91 114.32 1p3a h THR 507 Ca 0.11 -0.93 0.05 0.00 0.77 0.00 0.00 66.41 66.41 1p3a h THR 507 Cb 0.41 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 1p3a h THR 507 CO 0.02 0.31 -0.03 -1.13 0.37 0.00 0.00 175.52 175.06 1p3a h ASN 508 N 0.45 -0.15 -0.98 4.18 -1.24 -0.86 -0.08 115.58 116.89 1p3a h ASN 508 Ca 0.11 0.06 0.13 0.00 0.71 0.00 0.00 56.30 57.31 1p3a h ASN 508 Cb 0.42 0.12 -0.08 0.00 0.73 0.00 0.00 38.32 39.51 1p3a h ASN 508 CO 0.01 -0.05 0.62 -0.07 -1.29 0.00 0.00 177.43 176.66 1p3a h LEU 509 N 0.05 0.88 -1.15 0.34 3.38 -1.07 -0.92 115.31 116.81 1p3a h LEU 509 Ca 0.12 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1p3a h LEU 509 Cb 0.17 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1p3a h LEU 509 CO -0.23 0.46 -0.34 0.00 0.09 0.00 0.00 178.44 178.43 1p3a h ALA 511 N 1.66 -0.06 -0.43 0.00 0.00 -0.07 -3.06 119.26 117.31 1p3a h ALA 511 Ca -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1p3a h ALA 511 Cb 0.76 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1p3a h ALA 511 CO 0.04 -0.20 0.18 0.82 0.00 0.00 0.00 179.25 180.09 1p3a h ILE 512 N -0.72 1.16 0.00 0.00 2.04 -1.10 0.07 117.51 118.96 1p3a h ILE 512 Ca -0.01 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 1p3a h ILE 512 Cb 0.62 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1p3a h ILE 512 CO 0.01 0.19 -0.14 -0.74 0.00 0.00 0.00 178.15 177.47 1p3a h HIS 513 N 0.60 0.00 -0.96 1.37 2.76 -0.85 -1.89 115.15 116.18 1p3a h HIS 513 Ca 0.15 0.00 -0.52 0.00 -2.20 0.00 0.00 60.37 57.80 1p3a h HIS 513 Cb 0.11 0.00 -0.30 0.00 1.55 0.00 0.00 27.41 28.78 1p3a h HIS 513 CO 0.01 0.14 0.66 0.00 -1.30 0.00 0.00 177.93 177.43 1p3a n ALA 514 N -2.39 5.57 -3.88 5.26 0.00 -0.04 -4.92 120.51 120.12 1p3a n ALA 514 Ca -0.02 -2.85 -0.29 0.00 0.00 0.00 0.00 53.44 50.28 1p3a n ALA 514 Cb 0.23 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1p3a n ALA 514 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p3a n LYS 515 N -1.06 -2.43 -4.22 0.00 5.02 -0.71 -4.98 118.16 109.78 1p3a n LYS 515 Ca 0.58 0.40 -0.15 0.00 -2.02 0.00 0.00 58.31 57.12 1p3a n LYS 515 Cb 1.53 -4.26 -0.09 0.00 -0.02 0.00 0.00 35.03 32.19 1p3a n LYS 515 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1p3a s HIS 516 N -3.78 1.36 0.00 2.13 3.76 -0.89 -5.01 115.29 112.85 1p3a s HIS 516 Ca 0.18 -1.46 0.00 0.00 -0.15 0.00 0.00 55.06 53.63 1p3a s HIS 516 Cb -0.07 -0.58 0.00 0.00 1.11 0.00 0.00 32.58 33.04 1p3a s HIS 516 CO 0.89 -0.75 0.09 1.33 -0.85 0.00 0.00 174.74 175.44 1p3a n VAL 517 N -0.41 0.00 -3.78 -0.90 0.24 -1.26 -3.44 118.33 108.77 1p3a n VAL 517 Ca 0.04 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.97 1p3a n VAL 517 Cb 0.64 1.65 -0.13 0.00 -1.47 0.00 0.00 33.84 34.53 1p3a n VAL 517 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1p3a s THR 518 N 0.00 3.75 -0.06 3.34 2.01 -1.26 -5.04 115.64 118.38 1p3a s THR 518 Ca 0.00 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.77 1p3a s THR 518 Cb 0.00 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 1p3a s THR 518 CO 0.00 -0.02 1.39 0.27 -0.69 0.00 0.00 174.62 175.57 1p3a s ILE 519 N 1.43 3.91 0.32 1.82 -4.36 -1.26 -4.93 121.20 118.14 1p3a s ILE 519 Ca 0.00 1.20 0.08 0.00 -0.26 0.00 0.00 60.65 61.68 1p3a s ILE 519 Cb -0.18 -3.77 -0.04 0.00 1.25 0.00 0.00 42.46 39.71 1p3a s ILE 519 CO 0.02 -0.05 0.13 -0.04 0.24 0.00 0.00 174.94 175.23 1p3a s MET 520 N 3.03 2.40 0.24 0.37 -1.94 -1.26 -5.00 119.30 117.14 1p3a s MET 520 Ca 0.62 -1.49 -0.10 0.00 -1.71 0.00 0.00 55.69 53.01 1p3a s MET 520 Cb -0.28 -2.21 0.37 0.00 2.01 0.00 0.00 34.83 34.72 1p3a s MET 520 CO 0.23 0.16 1.61 -1.35 -0.01 0.00 0.00 175.02 175.66 1p3a h PRO 521 N 1.58 0.02 -0.00 2.03 0.11 -2.00 0.35 132.00 134.09 1p3a h PRO 521 Ca -0.44 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1p3a h PRO 521 Cb 1.25 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1p3a h PRO 521 CO 0.62 0.01 -0.05 1.57 -0.21 0.00 0.00 178.00 179.94 1p3a h LYS 522 N 0.02 0.01 -0.21 1.05 2.10 -1.98 0.15 116.57 117.71 1p3a h LYS 522 Ca 0.39 -0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.97 1p3a h LYS 522 Cb 0.63 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.94 1p3a h LYS 522 CO -0.78 0.06 -0.18 -0.44 -2.00 0.00 0.00 179.45 176.11 1p3a h ASP 523 N 0.01 0.35 -0.01 7.07 3.32 -0.67 -1.00 116.42 125.48 1p3a h ASP 523 Ca 0.00 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 56.86 1p3a h ASP 523 Cb 0.10 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.56 1p3a h ASP 523 CO 0.01 0.55 -0.36 0.40 -1.72 0.00 0.00 179.24 178.12 1p3a h ILE 524 N 0.33 1.50 -0.61 0.35 2.04 -0.52 -3.09 117.51 117.52 1p3a h ILE 524 Ca 0.06 -1.96 0.12 0.00 1.00 0.00 0.00 64.86 64.07 1p3a h ILE 524 Cb 0.51 2.67 -0.12 0.00 -0.74 0.00 0.00 36.82 39.15 1p3a h ILE 524 CO 0.03 0.55 -0.23 1.56 0.00 0.00 0.00 178.15 180.07 1p3a h GLN 525 N -0.35 -0.07 -0.42 2.37 4.20 -0.47 -1.22 115.11 119.15 1p3a h GLN 525 Ca -0.04 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1p3a h GLN 525 Cb 1.09 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 1p3a h GLN 525 CO 0.07 -0.05 0.26 1.25 -0.67 0.00 0.00 178.83 179.70 1p3a h LEU 526 N -0.07 0.50 0.09 1.46 5.85 -1.28 -2.09 115.31 119.76 1p3a h LEU 526 Ca 0.28 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1p3a h LEU 526 Cb 0.51 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1p3a h LEU 526 CO -0.66 0.39 -0.14 0.00 -0.34 0.00 0.00 178.44 177.69 1p3a h ALA 527 N 1.13 -0.24 -0.32 1.25 0.00 -1.17 -0.43 119.26 119.48 1p3a h ALA 527 Ca 0.15 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1p3a h ALA 527 Cb -0.02 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1p3a h ALA 527 CO -0.03 -0.66 0.22 0.00 0.00 0.00 0.00 179.25 178.77 1p3a h ARG 528 N -0.28 0.40 -0.39 0.00 3.08 -1.15 -1.24 114.38 114.80 1p3a h ARG 528 Ca 0.02 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 1p3a h ARG 528 Cb 0.29 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1p3a h ARG 528 CO -0.07 0.26 -0.32 -0.09 -1.07 0.00 0.00 179.97 178.68 1p3a h ARG 529 N 0.41 0.90 0.00 0.04 1.12 -0.94 -0.66 114.38 115.26 1p3a h ARG 529 Ca 0.12 -0.45 0.00 0.00 -1.11 0.00 0.00 59.98 58.54 1p3a h ARG 529 Cb -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1p3a h ARG 529 CO -0.03 1.10 0.00 -0.89 -3.11 0.00 0.00 179.97 177.04 1p3a n ILE 530 N -4.13 0.06 0.94 1.20 5.41 -0.21 -2.72 119.36 119.92 1p3a n ILE 530 Ca -0.02 0.02 0.11 0.00 1.00 0.00 0.00 62.75 63.85 1p3a n ILE 530 Cb 0.51 -0.55 0.02 0.00 -0.71 0.00 0.00 39.64 38.91 1p3a n ILE 530 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1p3a n ARG 531 N -1.26 1.55 -0.66 0.38 1.74 -0.56 -4.93 116.66 112.92 1p3a n ARG 531 Ca 0.14 -1.22 0.00 0.00 -0.77 0.00 0.00 57.85 56.01 1p3a n ARG 531 Cb 0.21 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1p3a n ARG 531 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p3a n GLY 532 N 1.34 0.78 0.00 -0.13 0.00 -1.10 -4.88 105.19 101.19 1p3a n GLY 532 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.18 1p3a n GLY 532 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p3a n GLU 533 N -2.21 0.43 0.05 1.61 1.02 -0.28 -3.84 120.64 117.42 1p3a n GLU 533 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1p3a n GLU 533 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1p3a n GLU 533 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1p3a n ARG 534 N -0.95 0.00 0.00 3.49 1.74 -1.23 -4.93 116.66 114.78 1p3a n ARG 534 Ca 0.09 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.18 1p3a n ARG 534 Cb 0.04 -0.11 0.06 0.00 -1.02 0.00 0.00 32.46 31.43 1p3a n ARG 534 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11