#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3m s PRO 438 N 0.00 3.15 -0.07 1.64 0.02 -1.26 -4.99 135.00 133.50 1p3m s PRO 438 Ca 0.00 0.07 0.03 0.00 0.02 0.00 0.00 61.00 61.12 1p3m s PRO 438 Cb 0.00 -4.19 0.01 0.00 0.02 0.00 0.00 34.50 30.34 1p3m s PRO 438 CO 0.00 -2.17 -0.16 -1.58 -0.33 0.00 0.00 177.00 172.77 1p3m s HIS 439 N 6.27 1.71 0.05 6.54 2.46 -1.26 -5.14 115.29 125.93 1p3m s HIS 439 Ca 0.44 -0.61 -0.06 0.00 0.47 0.00 0.00 55.06 55.29 1p3m s HIS 439 Cb -0.09 -1.20 -0.01 0.00 -0.13 0.00 0.00 32.58 31.15 1p3m s HIS 439 CO 0.19 -0.27 0.12 0.50 -2.47 0.00 0.00 174.74 172.80 1p3m s ARG 440 N 0.44 0.68 -0.05 2.88 3.52 -1.26 -5.16 118.95 120.01 1p3m s ARG 440 Ca -0.13 -0.86 -0.01 0.00 -0.13 0.00 0.00 55.73 54.60 1p3m s ARG 440 Cb -0.15 0.27 -0.03 0.00 -1.56 0.00 0.00 34.95 33.47 1p3m s ARG 440 CO 0.04 -0.18 0.01 0.71 -0.81 0.00 0.00 175.30 175.07 1p3m s TYR 441 N -3.16 3.15 0.40 5.12 4.12 -1.26 -5.10 117.35 120.61 1p3m s TYR 441 Ca -0.00 0.16 -0.23 0.00 0.02 0.00 0.00 57.07 57.02 1p3m s TYR 441 Cb 0.02 -1.74 -0.10 0.00 -1.52 0.00 0.00 41.96 38.61 1p3m s TYR 441 CO -0.07 0.48 0.96 1.03 0.02 0.00 0.00 175.55 177.97 1p3m s ARG 442 N -1.22 4.33 -0.27 -0.62 0.52 -1.26 -4.93 118.95 115.49 1p3m s ARG 442 Ca 0.17 1.22 -0.37 0.00 -0.52 0.00 0.00 55.73 56.22 1p3m s ARG 442 Cb -0.11 -2.40 -0.13 0.00 0.52 0.00 0.00 34.95 32.83 1p3m s ARG 442 CO 0.06 0.05 1.96 -2.30 0.02 0.00 0.00 175.30 175.10 1p3m n PRO 443 N -0.23 1.35 0.00 3.54 -0.02 -1.26 -1.01 135.00 137.37 1p3m n PRO 443 Ca 0.05 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1p3m n PRO 443 Cb 0.52 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1p3m n PRO 443 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p3m n GLY 444 N 5.25 2.74 0.37 -1.23 0.00 -1.26 -4.86 105.19 106.19 1p3m n GLY 444 Ca 0.32 -0.87 0.02 0.00 0.00 0.00 0.00 46.02 45.49 1p3m n GLY 444 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1p3m h THR 445 N 0.00 1.11 -0.06 2.61 2.02 -1.44 0.46 112.91 117.60 1p3m h THR 445 Ca 0.00 -0.41 -0.20 0.00 0.77 0.00 0.00 66.41 66.57 1p3m h THR 445 Cb 0.00 -0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.22 1p3m h THR 445 CO 0.00 0.22 -0.81 0.58 0.37 0.00 0.00 175.52 175.88 1p3m h VAL 446 N 1.20 1.37 0.22 3.16 2.07 -1.90 -2.82 116.25 119.55 1p3m h VAL 446 Ca 0.42 -2.21 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 1p3m h VAL 446 Cb 0.11 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1p3m h VAL 446 CO -0.16 0.67 -0.10 0.00 0.02 0.00 0.00 177.57 177.99 1p3m h ALA 447 N 0.81 -0.91 -1.00 1.67 0.00 -1.30 -0.94 119.26 117.59 1p3m h ALA 447 Ca -0.05 -0.06 0.29 0.00 0.00 0.00 0.00 54.91 55.09 1p3m h ALA 447 Cb 1.41 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 1p3m h ALA 447 CO 0.14 -0.89 0.84 -0.07 0.00 0.00 0.00 179.25 179.27 1p3m h LEU 448 N -0.34 0.00 -0.16 0.00 4.07 -0.30 1.29 115.31 119.87 1p3m h LEU 448 Ca -0.03 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.81 1p3m h LEU 448 Cb 0.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1p3m h LEU 448 CO 0.05 0.00 -0.37 -0.09 -1.08 0.00 0.00 178.44 176.95 1p3m h ARG 449 N 0.00 0.53 -0.38 1.13 2.43 -1.30 -1.42 114.38 115.37 1p3m h ARG 449 Ca 0.48 -0.36 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 1p3m h ARG 449 Cb 2.15 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 31.73 1p3m h ARG 449 CO -0.01 0.97 -0.13 0.93 -1.51 0.00 0.00 179.97 180.23 1p3m h GLU 450 N 0.17 0.68 0.66 0.20 5.08 0.29 0.05 114.58 121.71 1p3m h GLU 450 Ca -0.00 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 1p3m h GLU 450 Cb 0.98 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.17 1p3m h GLU 450 CO 0.08 0.78 -0.32 0.82 -1.00 0.00 0.00 179.01 179.38 1p3m h ILE 451 N 0.62 0.33 -0.90 3.13 2.04 -0.38 -1.25 117.51 121.09 1p3m h ILE 451 Ca 0.11 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 65.96 1p3m h ILE 451 Cb 0.58 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 1p3m h ILE 451 CO 0.04 0.01 0.56 0.03 0.00 0.00 0.00 178.15 178.78 1p3m h ARG 452 N -0.95 0.93 0.11 2.37 3.08 -1.08 -1.10 114.38 117.75 1p3m h ARG 452 Ca -0.09 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1p3m h ARG 452 Cb 0.70 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1p3m h ARG 452 CO 0.15 0.62 -0.17 -0.09 -1.07 0.00 0.00 179.97 179.41 1p3m h ARG 453 N 0.96 -0.28 0.00 0.04 2.43 -0.63 -3.04 114.38 113.86 1p3m h ARG 453 Ca 0.42 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.58 1p3m h ARG 453 Cb 0.30 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1p3m h ARG 453 CO -0.22 -0.19 -0.13 1.88 -1.51 0.00 0.00 179.97 179.81 1p3m h TYR 454 N -0.29 0.00 0.00 2.20 -1.99 -1.06 -1.90 116.97 113.93 1p3m h TYR 454 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1p3m h TYR 454 Cb 0.26 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.99 1p3m h TYR 454 CO -0.22 0.13 0.00 1.96 -0.00 0.00 0.00 178.16 180.03 1p3m h GLN 455 N 0.00 0.00 0.12 4.88 4.20 -1.13 -2.95 115.11 120.23 1p3m h GLN 455 Ca -0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 1p3m h GLN 455 Cb 0.26 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1p3m h GLN 455 CO 0.02 0.00 -1.90 0.87 -0.67 0.00 0.00 178.83 177.14 1p3m h LYS 456 N 0.00 0.26 -7.50 1.46 1.57 -1.23 -3.47 116.57 107.65 1p3m h LYS 456 Ca 0.00 -0.44 -0.48 0.00 -1.87 0.00 0.00 60.65 57.86 1p3m h LYS 456 Cb 0.35 0.16 0.10 0.00 0.08 0.00 0.00 32.23 32.92 1p3m h LYS 456 CO 0.00 1.21 0.38 -1.54 -0.57 0.00 0.00 179.45 178.93 1p3m s SER 457 N -7.06 4.68 0.00 0.86 1.04 -1.11 -5.00 113.70 107.11 1p3m s SER 457 Ca -0.22 1.05 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1p3m s SER 457 Cb 0.06 -1.72 0.00 0.00 0.10 0.00 0.00 66.02 64.46 1p3m s SER 457 CO 0.76 -1.82 0.66 0.35 0.98 0.00 0.00 173.24 174.17 1p3m n THR 458 N -3.30 0.40 -1.31 2.02 -2.24 -1.26 -4.94 114.28 103.65 1p3m n THR 458 Ca 0.07 -0.61 -0.33 0.00 -2.27 0.00 0.00 64.05 60.91 1p3m n THR 458 Cb 0.58 0.89 0.10 0.00 -2.10 0.00 0.00 70.33 69.80 1p3m n THR 458 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1p3m s GLU 459 N -0.40 2.01 0.43 -0.78 4.04 -1.26 -4.95 118.70 117.80 1p3m s GLU 459 Ca 0.00 1.59 -0.24 0.00 0.04 0.00 0.00 54.97 56.36 1p3m s GLU 459 Cb 0.00 -1.84 -0.08 0.00 0.02 0.00 0.00 34.13 32.24 1p3m s GLU 459 CO 0.00 -1.89 1.18 -0.51 -1.84 0.00 0.00 175.26 172.20 1p3m s LEU 460 N -5.50 4.10 0.00 1.83 1.43 -1.26 -4.93 118.68 114.34 1p3m s LEU 460 Ca 0.70 2.35 0.20 0.00 -1.03 0.00 0.00 54.13 56.36 1p3m s LEU 460 Cb -0.25 -4.13 0.07 0.00 0.03 0.00 0.00 46.19 41.91 1p3m s LEU 460 CO 0.49 -0.82 1.06 0.18 0.23 0.00 0.00 176.35 177.48 1p3m n LEU 461 N -0.22 2.23 -4.66 1.79 4.77 -1.26 -4.92 117.00 114.73 1p3m n LEU 461 Ca 0.06 -0.87 -0.34 0.00 -0.03 0.00 0.00 56.01 54.84 1p3m n LEU 461 Cb 0.47 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 1p3m n LEU 461 CO 0.50 0.40 -0.33 -0.63 -1.33 0.00 0.00 177.39 175.99 1p3m s ILE 462 N -2.00 4.08 -0.01 -0.08 1.01 -1.26 -5.07 121.20 117.87 1p3m s ILE 462 Ca 0.20 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 60.08 1p3m s ILE 462 Cb 0.16 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 1p3m s ILE 462 CO 0.39 0.51 1.40 -0.60 0.00 0.00 0.00 174.94 176.63 1p3m s ARG 463 N -1.15 4.28 0.22 2.79 3.52 -1.26 -4.94 118.95 122.41 1p3m s ARG 463 Ca 0.16 1.95 -0.08 0.00 -0.13 0.00 0.00 55.73 57.62 1p3m s ARG 463 Cb -0.11 -3.59 0.34 0.00 -1.56 0.00 0.00 34.95 30.02 1p3m s ARG 463 CO 0.05 -0.58 1.71 0.87 -0.81 0.00 0.00 175.30 176.54 1p3m h LYS 464 N 7.88 0.31 -0.11 5.12 1.57 -1.98 -2.25 116.57 127.12 1p3m h LYS 464 Ca -0.37 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1p3m h LYS 464 Cb 1.18 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1p3m h LYS 464 CO 0.91 0.20 0.06 1.25 -0.57 0.00 0.00 179.45 181.30 1p3m h LEU 465 N 0.32 0.14 -1.21 2.94 5.85 -1.99 0.36 115.31 121.72 1p3m h LEU 465 Ca 0.34 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1p3m h LEU 465 Cb 0.51 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1p3m h LEU 465 CO -0.40 0.17 0.32 -0.65 -0.34 0.00 0.00 178.44 177.55 1p3m h PRO 466 N 0.09 0.86 0.53 5.25 0.11 -1.94 -1.99 132.00 134.91 1p3m h PRO 466 Ca 0.04 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 1p3m h PRO 466 Cb 0.07 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.01 1p3m h PRO 466 CO -0.01 0.65 -0.25 0.35 -0.21 0.00 0.00 178.00 178.53 1p3m h PHE 467 N 0.87 -0.66 -0.92 0.65 3.57 -0.78 -2.18 116.94 117.50 1p3m h PHE 467 Ca 0.22 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.88 1p3m h PHE 467 Cb 0.06 0.22 -0.08 0.00 2.79 0.00 0.00 35.95 38.94 1p3m h PHE 467 CO 0.01 -0.34 0.59 0.37 -2.23 0.00 0.00 178.31 176.71 1p3m h GLN 468 N -0.91 0.56 0.61 1.11 4.15 -0.15 0.11 115.11 120.59 1p3m h GLN 468 Ca -0.07 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.28 1p3m h GLN 468 Cb 0.61 -0.13 0.01 0.00 0.21 0.00 0.00 27.48 28.18 1p3m h GLN 468 CO 0.12 0.37 -0.29 0.00 -1.93 0.00 0.00 178.83 177.09 1p3m h ARG 469 N 0.58 -0.79 -0.86 1.69 3.08 -1.21 -1.15 114.38 115.71 1p3m h ARG 469 Ca 0.48 0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.73 1p3m h ARG 469 Cb 0.96 0.18 -0.07 0.00 0.08 0.00 0.00 29.97 31.12 1p3m h ARG 469 CO -0.22 -0.48 0.56 1.25 -1.07 0.00 0.00 179.97 180.00 1p3m h LEU 470 N -0.97 0.59 0.21 3.04 5.85 -0.58 0.96 115.31 124.41 1p3m h LEU 470 Ca -0.08 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1p3m h LEU 470 Cb 0.67 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1p3m h LEU 470 CO 0.14 0.30 -0.10 0.58 -0.34 0.00 0.00 178.44 179.01 1p3m h VAL 471 N 0.62 0.84 -0.62 1.05 2.07 -0.52 -1.66 116.25 118.02 1p3m h VAL 471 Ca 0.43 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 1p3m h VAL 471 Cb 0.77 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1p3m h VAL 471 CO -0.19 0.06 0.32 0.03 0.02 0.00 0.00 177.57 177.80 1p3m h ARG 472 N -0.41 0.88 -0.41 1.57 3.08 -0.11 -0.37 114.38 118.61 1p3m h ARG 472 Ca -0.03 -0.12 0.07 0.00 0.07 0.00 0.00 59.98 59.97 1p3m h ARG 472 Cb 0.31 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 1p3m h ARG 472 CO 0.05 0.69 0.07 1.49 -1.07 0.00 0.00 179.97 181.19 1p3m h GLU 473 N 0.84 0.19 -0.18 0.04 4.81 -0.75 0.23 114.58 119.76 1p3m h GLU 473 Ca 0.21 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1p3m h GLU 473 Cb 0.09 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1p3m h GLU 473 CO -0.03 0.12 0.10 0.82 -0.73 0.00 0.00 179.01 179.29 1p3m h ILE 474 N 0.19 1.11 -0.14 2.32 2.04 -1.01 -3.09 117.51 118.92 1p3m h ILE 474 Ca 0.20 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.82 1p3m h ILE 474 Cb 0.25 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 1p3m h ILE 474 CO -0.27 0.10 -0.16 0.00 0.00 0.00 0.00 178.15 177.82 1p3m h ALA 475 N 0.99 -0.07 -0.24 1.87 0.00 0.09 -2.17 119.26 119.72 1p3m h ALA 475 Ca 0.06 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1p3m h ALA 475 Cb 0.07 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1p3m h ALA 475 CO -0.01 -0.60 0.69 0.37 0.00 0.00 0.00 179.25 179.70 1p3m h GLN 476 N -0.19 0.00 -0.00 0.00 5.75 -0.51 0.84 115.11 121.00 1p3m h GLN 476 Ca 0.10 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 1p3m h GLN 476 Cb 0.33 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.88 1p3m h GLN 476 CO -0.25 0.00 -0.02 -0.25 -2.65 0.00 0.00 178.83 175.65 1p3m n ASP 477 N -2.99 0.11 -0.03 -0.69 10.43 -0.82 -3.70 116.55 118.87 1p3m n ASP 477 Ca 0.04 -0.38 -0.02 0.00 2.57 0.00 0.00 54.79 57.00 1p3m n ASP 477 Cb 0.79 -0.19 -0.05 0.00 1.84 0.00 0.00 41.12 43.51 1p3m n ASP 477 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1p3m n PHE 478 N -1.16 0.00 -3.64 1.24 3.01 0.29 -5.02 117.46 112.18 1p3m n PHE 478 Ca 0.16 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.58 1p3m n PHE 478 Cb 0.23 -0.28 -0.07 0.00 -0.01 0.00 0.00 39.48 39.35 1p3m n PHE 478 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1p3m s LYS 479 N -2.22 0.46 0.61 -1.08 2.20 -1.04 -5.17 119.74 113.50 1p3m s LYS 479 Ca -0.03 0.76 -0.13 0.00 -0.36 0.00 0.00 55.97 56.20 1p3m s LYS 479 Cb 0.02 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.42 1p3m s LYS 479 CO 0.27 -0.09 1.03 0.95 -0.36 0.00 0.00 175.35 177.15 1p3m s THR 480 N 1.23 4.31 -0.66 3.43 -4.23 -1.26 -4.09 115.64 114.37 1p3m s THR 480 Ca -0.07 0.91 -0.16 0.00 -1.18 0.00 0.00 61.69 61.18 1p3m s THR 480 Cb -0.04 -3.61 0.02 0.00 1.34 0.00 0.00 72.50 70.21 1p3m s THR 480 CO -0.14 -0.83 0.63 -0.67 -0.54 0.00 0.00 174.62 173.07 1p3m n ASP 481 N -2.40 -5.26 -4.76 3.99 2.03 -1.26 -4.99 116.55 103.90 1p3m n ASP 481 Ca 0.07 -0.59 -0.24 0.00 0.52 0.00 0.00 54.79 54.56 1p3m n ASP 481 Cb 0.54 -1.84 -0.06 0.00 -0.72 0.00 0.00 41.12 39.03 1p3m n ASP 481 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1p3m s LEU 482 N -3.88 3.20 0.14 -2.67 1.43 -1.26 -5.14 118.68 110.50 1p3m s LEU 482 Ca 0.16 -0.94 0.04 0.00 -1.03 0.00 0.00 54.13 52.36 1p3m s LEU 482 Cb -0.02 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 1p3m s LEU 482 CO 0.88 -0.49 -0.09 -0.13 0.23 0.00 0.00 176.35 176.75 1p3m s ARG 483 N -3.93 1.04 -0.04 1.70 0.52 -1.26 -5.14 118.95 111.84 1p3m s ARG 483 Ca 0.41 -1.45 0.01 0.00 -0.52 0.00 0.00 55.73 54.19 1p3m s ARG 483 Cb 0.01 -0.55 0.02 0.00 0.52 0.00 0.00 34.95 34.94 1p3m s ARG 483 CO 0.23 0.05 -0.05 -0.06 0.02 0.00 0.00 175.30 175.49 1p3m s PHE 484 N -3.38 0.79 0.54 -0.53 0.40 -1.26 -5.12 117.98 109.42 1p3m s PHE 484 Ca 0.17 -0.22 -0.21 0.00 -0.60 0.00 0.00 56.93 56.07 1p3m s PHE 484 Cb 0.03 -0.66 -0.05 0.00 0.51 0.00 0.00 43.02 42.85 1p3m s PHE 484 CO 0.00 -0.17 1.27 -0.65 0.70 0.00 0.00 175.22 176.38 1p3m s GLN 485 N 0.74 3.22 0.38 0.44 -0.21 -1.26 -4.81 119.66 118.16 1p3m s GLN 485 Ca -0.10 2.03 0.15 0.00 0.02 0.00 0.00 55.36 57.45 1p3m s GLN 485 Cb -0.13 -2.20 0.99 0.00 1.00 0.00 0.00 33.01 32.67 1p3m s GLN 485 CO 0.01 -1.06 1.82 1.03 -2.12 0.00 0.00 175.29 174.96 1p3m h SER 486 N 1.43 0.52 0.62 5.90 0.87 -2.01 -0.67 113.55 120.20 1p3m h SER 486 Ca -0.50 0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.00 1p3m h SER 486 Cb 1.29 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.20 1p3m h SER 486 CO 0.57 0.18 -0.57 0.77 -0.53 0.00 0.00 176.83 177.26 1p3m h SER 487 N 0.51 0.00 -0.46 6.23 4.64 -1.99 -2.82 113.55 119.65 1p3m h SER 487 Ca 0.52 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.72 1p3m h SER 487 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1p3m h SER 487 CO -0.25 0.57 -0.16 0.00 -0.87 0.00 0.00 176.83 176.11 1p3m h ALA 488 N 1.43 0.79 -0.46 5.18 0.00 -1.46 -0.60 119.26 124.14 1p3m h ALA 488 Ca -0.01 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 1p3m h ALA 488 Cb 1.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1p3m h ALA 488 CO 0.07 0.66 -0.26 0.28 0.00 0.00 0.00 179.25 180.01 1p3m h VAL 489 N 0.84 1.27 -0.42 0.00 2.07 -1.52 -1.23 116.25 117.26 1p3m h VAL 489 Ca 0.12 -1.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.21 1p3m h VAL 489 Cb 0.72 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1p3m h VAL 489 CO 0.06 0.49 0.25 0.24 0.02 0.00 0.00 177.57 178.62 1p3m h MET 490 N 0.84 0.57 0.17 1.57 2.86 -1.27 -0.35 114.93 119.31 1p3m h MET 490 Ca 0.10 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1p3m h MET 490 Cb 0.84 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1p3m h MET 490 CO 0.07 0.43 -0.08 0.00 1.06 0.00 0.00 176.91 178.40 1p3m h ALA 491 N 1.11 -0.22 -0.72 6.32 0.00 -0.95 0.21 119.26 125.01 1p3m h ALA 491 Ca 0.15 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.16 1p3m h ALA 491 Cb 0.01 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 17.78 1p3m h ALA 491 CO -0.03 -0.61 0.16 -0.07 0.00 0.00 0.00 179.25 178.70 1p3m h LEU 492 N -0.24 -0.01 0.05 0.00 3.38 -0.91 0.26 115.31 117.84 1p3m h LEU 492 Ca -0.02 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1p3m h LEU 492 Cb 0.19 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1p3m h LEU 492 CO 0.04 -0.04 -0.02 -0.61 0.09 0.00 0.00 178.44 177.89 1p3m h GLN 493 N 0.26 -0.06 -0.96 1.13 4.15 -0.77 0.30 115.11 119.16 1p3m h GLN 493 Ca 0.40 0.00 0.20 0.00 0.77 0.00 0.00 58.65 60.03 1p3m h GLN 493 Cb 0.68 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.30 1p3m h GLN 493 CO -0.51 0.30 0.61 0.93 -1.93 0.00 0.00 178.83 178.24 1p3m h GLU 494 N -0.44 0.53 0.00 1.69 4.39 -0.31 0.78 114.58 121.23 1p3m h GLU 494 Ca -0.01 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.51 1p3m h GLU 494 Cb 0.40 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1p3m h GLU 494 CO 0.01 0.35 -0.60 0.00 -1.16 0.00 0.00 179.01 177.61 1p3m h ALA 495 N 1.62 0.07 0.56 3.43 0.00 -0.21 -3.00 119.26 121.73 1p3m h ALA 495 Ca 0.52 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1p3m h ALA 495 Cb 1.11 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1p3m h ALA 495 CO -0.26 0.35 -0.44 0.77 0.00 0.00 0.00 179.25 179.67 1p3m h SER 496 N -0.12 -1.15 -0.81 0.00 0.02 0.14 -1.30 113.55 110.33 1p3m h SER 496 Ca -0.08 0.08 0.09 0.00 -0.84 0.00 0.00 61.79 61.04 1p3m h SER 496 Cb 1.32 0.36 -0.07 0.00 0.14 0.00 0.00 62.40 64.15 1p3m h SER 496 CO 0.12 -0.62 0.46 -0.33 -1.14 0.00 0.00 176.83 175.32 1p3m h GLU 497 N -0.96 0.75 -0.28 3.45 5.08 -1.08 -1.22 114.58 120.32 1p3m h GLU 497 Ca -0.07 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1p3m h GLU 497 Cb 0.80 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 1p3m h GLU 497 CO 0.02 0.50 0.05 0.00 -1.00 0.00 0.00 179.01 178.58 1p3m h ALA 498 N 1.45 0.29 -0.40 3.43 0.00 -1.39 0.46 119.26 123.08 1p3m h ALA 498 Ca 0.39 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.39 1p3m h ALA 498 Cb 0.35 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1p3m h ALA 498 CO -0.24 -0.36 0.16 -0.92 0.00 0.00 0.00 179.25 177.89 1p3m h TYR 499 N 0.16 0.30 0.36 0.00 3.20 -0.33 -2.72 116.97 117.94 1p3m h TYR 499 Ca 0.13 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 1p3m h TYR 499 Cb 0.13 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.33 1p3m h TYR 499 CO -0.17 0.13 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.24 1p3m h LEU 500 N 0.34 -0.41 -1.57 2.82 3.38 -0.69 -1.61 115.31 117.56 1p3m h LEU 500 Ca 0.18 -0.11 0.35 0.00 0.09 0.00 0.00 57.88 58.39 1p3m h LEU 500 Cb 0.14 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.91 1p3m h LEU 500 CO -0.17 -0.11 0.80 0.58 0.09 0.00 0.00 178.44 179.64 1p3m h VAL 501 N -0.73 0.36 0.04 1.22 2.07 -0.84 0.67 116.25 119.04 1p3m h VAL 501 Ca -0.05 -0.07 -0.25 0.00 0.82 0.00 0.00 66.70 67.16 1p3m h VAL 501 Cb 0.50 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1p3m h VAL 501 CO 0.08 0.04 -1.20 0.00 0.02 0.00 0.00 177.57 176.50 1p3m h ALA 502 N 1.53 0.34 0.00 1.67 0.00 -1.31 -2.89 119.26 118.60 1p3m h ALA 502 Ca 0.67 -1.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1p3m h ALA 502 Cb 2.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.89 1p3m h ALA 502 CO -0.24 1.22 -0.42 1.25 0.00 0.00 0.00 179.25 181.05 1p3m h LEU 503 N 0.02 0.00 -0.56 0.00 5.85 0.12 -2.06 115.31 118.68 1p3m h LEU 503 Ca -0.10 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.50 1p3m h LEU 503 Cb 1.87 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.89 1p3m h LEU 503 CO 0.14 0.42 -0.57 -0.26 -0.34 0.00 0.00 178.44 177.84 1p3m h PHE 504 N 0.00 0.00 -0.07 1.25 0.05 -0.49 -1.85 116.94 115.84 1p3m h PHE 504 Ca -0.00 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.78 1p3m h PHE 504 Cb 1.11 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 39.05 1p3m h PHE 504 CO 0.00 0.57 0.02 0.93 -0.18 0.00 0.00 178.31 179.65 1p3m h GLU 505 N 0.00 0.10 -0.00 1.51 5.08 -1.16 -1.43 114.58 118.68 1p3m h GLU 505 Ca -0.01 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1p3m h GLU 505 Cb 1.19 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1p3m h GLU 505 CO 0.07 0.24 -0.43 -0.44 -1.00 0.00 0.00 179.01 177.46 1p3m h ASP 506 N -0.06 0.01 -0.24 1.42 3.32 -1.40 -2.85 116.42 116.62 1p3m h ASP 506 Ca 0.02 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 1p3m h ASP 506 Cb 0.18 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1p3m h ASP 506 CO -0.00 0.44 -0.17 0.74 -1.72 0.00 0.00 179.24 178.53 1p3m h THR 507 N 0.01 1.31 -0.53 0.35 2.02 -1.07 -0.64 112.91 114.35 1p3m h THR 507 Ca -0.00 -1.29 0.04 0.00 0.77 0.00 0.00 66.41 65.93 1p3m h THR 507 Cb 0.76 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 1p3m h THR 507 CO 0.06 0.40 0.35 -1.13 0.37 0.00 0.00 175.52 175.56 1p3m h ASN 508 N 0.24 0.50 -0.37 4.18 -1.24 -1.21 0.58 115.58 118.26 1p3m h ASN 508 Ca 0.05 -0.01 -0.07 0.00 0.71 0.00 0.00 56.30 56.98 1p3m h ASN 508 Cb 0.69 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 1p3m h ASN 508 CO 0.04 0.34 -0.04 -0.07 -1.29 0.00 0.00 177.43 176.42 1p3m h LEU 509 N 0.58 0.67 -0.86 0.34 3.38 -1.24 0.63 115.31 118.83 1p3m h LEU 509 Ca 0.21 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1p3m h LEU 509 Cb 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1p3m h LEU 509 CO -0.06 0.85 -0.11 0.00 0.09 0.00 0.00 178.44 179.21 1p3m h ALA 511 N 1.21 0.65 -0.43 0.00 0.00 0.19 -2.89 119.26 117.99 1p3m h ALA 511 Ca 0.12 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1p3m h ALA 511 Cb 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1p3m h ALA 511 CO 0.04 0.33 -0.27 0.82 0.00 0.00 0.00 179.25 180.17 1p3m h ILE 512 N 0.67 1.27 -0.48 0.00 2.04 -0.48 -0.82 117.51 119.70 1p3m h ILE 512 Ca 0.16 -1.43 0.11 0.00 1.00 0.00 0.00 64.86 64.69 1p3m h ILE 512 Cb 0.32 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1p3m h ILE 512 CO 0.00 0.49 0.34 -0.74 0.00 0.00 0.00 178.15 178.23 1p3m h HIS 513 N 0.79 0.20 -0.37 1.37 2.76 -0.51 0.40 115.15 119.78 1p3m h HIS 513 Ca 0.09 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1p3m h HIS 513 Cb 0.84 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.74 1p3m h HIS 513 CO 0.05 0.10 0.00 0.00 -1.30 0.00 0.00 177.93 176.78 1p3m n ALA 514 N -2.57 2.92 -3.64 5.26 0.00 -1.04 -4.91 120.51 116.52 1p3m n ALA 514 Ca 0.08 -0.95 -0.22 0.00 0.00 0.00 0.00 53.44 52.36 1p3m n ALA 514 Cb 0.42 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.90 1p3m n ALA 514 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p3m n LYS 515 N 0.53 -5.87 -4.58 0.00 5.02 0.14 -5.00 118.16 108.41 1p3m n LYS 515 Ca 0.15 0.71 -0.28 0.00 -2.02 0.00 0.00 58.31 56.87 1p3m n LYS 515 Cb 0.60 -5.51 -0.07 0.00 -0.02 0.00 0.00 35.03 30.03 1p3m n LYS 515 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1p3m s ARG 516 N -5.92 2.05 0.00 1.97 0.52 -0.34 -5.01 118.95 112.21 1p3m s ARG 516 Ca 0.16 -2.28 0.00 0.00 -0.52 0.00 0.00 55.73 53.09 1p3m s ARG 516 Cb -0.08 -0.74 0.00 0.00 0.52 0.00 0.00 34.95 34.65 1p3m s ARG 516 CO 0.78 -0.52 0.01 1.33 0.02 0.00 0.00 175.30 176.92 1p3m n VAL 517 N -1.03 0.00 -3.64 3.52 0.24 -1.26 -3.97 118.33 112.19 1p3m n VAL 517 Ca -0.09 -0.11 -0.38 0.00 -2.04 0.00 0.00 64.34 61.72 1p3m n VAL 517 Cb 0.65 1.08 -0.11 0.00 -1.47 0.00 0.00 33.84 33.98 1p3m n VAL 517 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1p3m s ILE 518 N -0.20 5.00 0.19 1.34 1.01 -1.26 -5.03 121.20 122.24 1p3m s ILE 518 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.41 1p3m s ILE 518 Cb 0.00 -3.38 -0.08 0.00 0.01 0.00 0.00 42.46 39.02 1p3m s ILE 518 CO 0.00 0.27 1.08 0.27 0.00 0.00 0.00 174.94 176.56 1p3m s ILE 519 N 1.71 3.89 0.44 2.92 -4.36 -1.26 -4.92 121.20 119.62 1p3m s ILE 519 Ca 0.07 1.66 0.03 0.00 -0.26 0.00 0.00 60.65 62.15 1p3m s ILE 519 Cb -0.16 -4.06 -0.03 0.00 1.25 0.00 0.00 42.46 39.46 1p3m s ILE 519 CO 0.09 0.30 0.05 -0.04 0.24 0.00 0.00 174.94 175.58 1p3m s MET 520 N -0.48 2.00 0.23 0.37 -1.94 -1.26 -5.04 119.30 113.17 1p3m s MET 520 Ca 0.48 -2.22 -0.07 0.00 -1.71 0.00 0.00 55.69 52.18 1p3m s MET 520 Cb -0.29 -1.16 0.20 0.00 2.01 0.00 0.00 34.83 35.59 1p3m s MET 520 CO 0.35 -0.32 1.80 -1.35 -0.01 0.00 0.00 175.02 175.48 1p3m h PRO 521 N 1.66 1.16 0.00 2.03 0.11 -2.00 -2.12 132.00 132.84 1p3m h PRO 521 Ca -0.41 -0.20 -0.00 0.00 0.11 0.00 0.00 66.00 65.50 1p3m h PRO 521 Cb 1.28 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1p3m h PRO 521 CO 0.69 0.93 -0.02 1.57 -0.21 0.00 0.00 178.00 180.96 1p3m h LYS 522 N 1.13 0.00 -0.20 1.05 2.10 -1.97 0.41 116.57 119.08 1p3m h LYS 522 Ca 0.26 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.70 1p3m h LYS 522 Cb 0.20 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.54 1p3m h LYS 522 CO -0.02 0.02 -0.70 -0.44 -2.00 0.00 0.00 179.45 176.31 1p3m h ASP 523 N 0.00 0.96 -0.22 7.07 3.32 -1.75 -0.29 116.42 125.51 1p3m h ASP 523 Ca -0.00 -0.60 -0.08 0.00 0.02 0.00 0.00 57.03 56.38 1p3m h ASP 523 Cb 0.08 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 1p3m h ASP 523 CO 0.00 1.39 -0.17 0.40 -1.72 0.00 0.00 179.24 179.15 1p3m h ILE 524 N 0.59 1.32 -0.45 0.35 2.04 -0.93 -2.28 117.51 118.15 1p3m h ILE 524 Ca -0.03 -1.30 0.09 0.00 1.00 0.00 0.00 64.86 64.61 1p3m h ILE 524 Cb 1.32 1.68 -0.08 0.00 -0.74 0.00 0.00 36.82 39.01 1p3m h ILE 524 CO 0.15 0.40 -0.04 1.56 0.00 0.00 0.00 178.15 180.22 1p3m h GLN 525 N 0.20 0.06 -0.64 2.37 4.20 -0.20 -0.58 115.11 120.52 1p3m h GLN 525 Ca 0.04 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1p3m h GLN 525 Cb 0.70 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 1p3m h GLN 525 CO 0.05 0.04 0.12 1.25 -0.67 0.00 0.00 178.83 179.62 1p3m h LEU 526 N 0.06 0.99 -0.30 1.46 5.85 -1.00 -2.05 115.31 120.33 1p3m h LEU 526 Ca 0.22 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1p3m h LEU 526 Cb 0.33 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1p3m h LEU 526 CO -0.41 0.97 -0.11 0.00 -0.34 0.00 0.00 178.44 178.56 1p3m h ALA 527 N 1.15 0.42 0.00 1.25 0.00 -0.79 -2.21 119.26 119.07 1p3m h ALA 527 Ca 0.20 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1p3m h ALA 527 Cb 0.39 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1p3m h ALA 527 CO 0.01 0.28 -0.30 0.00 0.00 0.00 0.00 179.25 179.24 1p3m h ARG 528 N 0.37 0.00 -0.17 0.00 3.08 -1.04 -1.08 114.38 115.54 1p3m h ARG 528 Ca 0.07 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 1p3m h ARG 528 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1p3m h ARG 528 CO 0.04 0.30 -0.35 -0.09 -1.07 0.00 0.00 179.97 178.80 1p3m h ARG 529 N 0.00 0.54 0.00 0.04 2.43 -1.12 -1.04 114.38 115.23 1p3m h ARG 529 Ca -0.00 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 1p3m h ARG 529 Cb 0.56 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1p3m h ARG 529 CO 0.04 0.96 -0.06 0.82 -1.51 0.00 0.00 179.97 180.22 1p3m h ILE 530 N 0.19 0.16 0.00 1.20 2.04 -1.15 -1.88 117.51 118.07 1p3m h ILE 530 Ca 0.01 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1p3m h ILE 530 Cb 0.94 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1p3m h ILE 530 CO 0.08 0.06 0.00 0.54 0.00 0.00 0.00 178.15 178.83 1p3m n ARG 531 N -3.19 0.05 -0.97 2.37 1.74 -0.43 -4.89 116.66 111.35 1p3m n ARG 531 Ca 0.00 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1p3m n ARG 531 Cb 0.34 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 1p3m n ARG 531 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p3m n GLY 532 N 1.03 0.47 0.11 -0.13 0.00 -0.71 -4.90 105.19 101.07 1p3m n GLY 532 Ca 0.06 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.78 1p3m n GLY 532 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1p3m h GLU 533 N 0.67 0.00 0.00 1.61 5.08 -1.41 -3.44 114.58 117.09 1p3m h GLU 533 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1p3m h GLU 533 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1p3m h GLU 533 CO 0.00 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 175.88 1p3m n ARG 534 N -2.59 0.00 0.00 2.33 0.63 -1.12 -4.99 116.66 110.92 1p3m n ARG 534 Ca 0.01 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.99 1p3m n ARG 534 Cb 0.52 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.47 1p3m n ARG 534 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12