#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aug h HIS 434 N 0.00 0.00 -0.23 9.51 2.07 -1.98 -3.22 115.15 121.29 2aug h HIS 434 Ca 0.00 0.00 0.07 0.00 -2.85 0.00 0.00 60.37 57.59 2aug h HIS 434 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 2aug h HIS 434 CO 0.00 0.00 0.35 0.00 -3.07 0.00 0.00 177.93 175.21 2aug h ARG 435 N 0.00 0.00 0.00 5.12 3.08 -2.04 0.14 114.38 120.68 2aug h ARG 435 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2aug h ARG 435 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 2aug h ARG 435 CO 0.00 0.00 -0.62 0.66 -1.07 0.00 0.00 179.97 178.94 2aug h SER 436 N 0.00 0.00 -3.80 7.04 4.64 -1.95 -3.47 113.55 116.00 2aug h SER 436 Ca 0.11 -0.02 -0.53 0.00 -0.47 0.00 0.00 61.79 60.88 2aug h SER 436 Cb 0.80 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.96 2aug h SER 436 CO -0.00 0.01 0.68 -1.10 -0.87 0.00 0.00 176.83 175.55 2aug s GLN 437 N -3.29 4.31 0.55 4.77 -1.52 0.03 -4.92 119.66 119.60 2aug s GLN 437 Ca 0.03 2.28 0.37 0.00 -1.95 0.00 0.00 55.36 56.08 2aug s GLN 437 Cb 0.09 -3.06 1.86 0.00 -0.22 0.00 0.00 33.01 31.67 2aug s GLN 437 CO 0.74 -0.27 2.11 -1.00 -0.25 0.00 0.00 175.29 176.62 2aug h PRO 438 N 3.62 0.00 -0.02 2.91 0.13 -1.91 -2.52 132.00 134.21 2aug h PRO 438 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2aug h PRO 438 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2aug h PRO 438 CO 0.67 0.00 -0.09 -2.67 -0.23 0.00 0.00 178.00 175.68 2aug n TRP 439 N -2.88 0.00 -3.65 1.56 4.27 -1.26 -4.01 117.44 111.47 2aug n TRP 439 Ca -0.01 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.23 2aug n TRP 439 Cb 0.13 -0.03 -0.09 0.00 -1.36 0.00 0.00 31.31 29.97 2aug n TRP 439 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2aug s PHE 440 N -2.15 3.34 -0.47 -2.67 5.36 -0.95 -1.39 117.98 119.05 2aug s PHE 440 Ca 0.32 0.29 -0.02 0.00 -0.96 0.00 0.00 56.93 56.56 2aug s PHE 440 Cb 0.20 -2.27 0.12 0.00 -0.34 0.00 0.00 43.02 40.73 2aug s PHE 440 CO 0.39 0.11 0.27 -1.01 -1.46 0.00 0.00 175.22 173.51 2aug s HIS 441 N 0.93 3.53 -0.52 10.12 3.76 0.23 -4.92 115.29 128.43 2aug s HIS 441 Ca 0.09 -2.55 -0.34 0.00 -0.15 0.00 0.00 55.06 52.11 2aug s HIS 441 Cb -0.13 -3.19 -0.14 0.00 1.11 0.00 0.00 32.58 30.23 2aug s HIS 441 CO 0.04 -0.93 2.32 0.72 -0.85 0.00 0.00 174.74 176.04 2aug n HIS 442 N 4.22 1.32 -1.95 1.40 -0.00 -1.26 -3.39 115.22 115.55 2aug n HIS 442 Ca 0.01 0.33 -0.17 0.00 -0.00 0.00 0.00 57.72 57.89 2aug n HIS 442 Cb 0.40 -2.49 -0.04 0.00 -0.00 0.00 0.00 29.99 27.86 2aug n HIS 442 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 2aug n LYS 443 N 8.31 -1.64 -2.05 -0.41 3.00 -1.26 -4.97 118.16 119.14 2aug n LYS 443 Ca 0.47 0.93 -0.33 0.00 -0.00 0.00 0.00 58.31 59.39 2aug n LYS 443 Cb 0.21 -5.41 0.01 0.00 0.00 0.00 0.00 35.03 29.84 2aug n LYS 443 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 2aug s ILE 444 N -2.66 3.78 0.91 3.15 -4.36 -1.22 -4.99 121.20 115.81 2aug s ILE 444 Ca 0.00 0.85 -0.12 0.00 -0.26 0.00 0.00 60.65 61.12 2aug s ILE 444 Cb 0.00 -3.37 0.14 0.00 1.25 0.00 0.00 42.46 40.48 2aug s ILE 444 CO 0.00 -0.49 1.10 -0.94 0.24 0.00 0.00 174.94 174.86 2aug s SER 445 N -2.75 3.42 0.11 4.36 1.04 -1.26 -4.84 113.70 113.79 2aug s SER 445 Ca 0.64 1.23 -0.18 0.00 0.48 0.00 0.00 55.95 58.12 2aug s SER 445 Cb -0.16 -1.90 -0.05 0.00 0.10 0.00 0.00 66.02 64.01 2aug s SER 445 CO 0.37 -2.64 1.64 -0.09 0.98 0.00 0.00 173.24 173.49 2aug h ARG 446 N -1.55 0.46 -0.58 4.02 2.43 -1.97 -0.84 114.38 116.35 2aug h ARG 446 Ca -0.51 -0.09 0.06 0.00 -0.81 0.00 0.00 59.98 58.63 2aug h ARG 446 Cb 1.31 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.73 2aug h ARG 446 CO 0.58 0.50 0.29 -0.44 -1.51 0.00 0.00 179.97 179.40 2aug h ASP 447 N 0.33 0.41 -0.69 -3.80 3.32 -1.99 0.98 116.42 115.00 2aug h ASP 447 Ca 0.10 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2aug h ASP 447 Cb 0.22 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2aug h ASP 447 CO -0.01 0.27 0.39 -0.08 -1.72 0.00 0.00 179.24 178.10 2aug h GLU 448 N 0.55 0.95 -0.73 3.56 4.57 -1.87 0.21 114.58 121.82 2aug h GLU 448 Ca 0.26 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 58.30 2aug h GLU 448 Cb 0.19 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 2aug h GLU 448 CO -0.19 0.70 0.30 0.00 -1.18 0.00 0.00 179.01 178.64 2aug h ALA 449 N 1.20 0.95 -0.48 2.92 0.00 -0.30 -1.59 119.26 121.95 2aug h ALA 449 Ca 0.24 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2aug h ALA 449 Cb 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2aug h ALA 449 CO -0.04 0.56 -0.22 1.96 0.00 0.00 0.00 179.25 181.51 2aug h GLN 450 N 1.04 1.00 -0.15 0.00 4.20 -0.26 -1.95 115.11 118.99 2aug h GLN 450 Ca 0.24 -0.43 0.03 0.00 0.06 0.00 0.00 58.65 58.56 2aug h GLN 450 Cb 0.20 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 2aug h GLN 450 CO -0.02 1.11 -0.05 -0.09 -0.67 0.00 0.00 178.83 179.10 2aug h ARG 451 N 0.86 -0.03 -0.20 1.46 2.43 -0.25 0.24 114.38 118.89 2aug h ARG 451 Ca 0.11 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 2aug h ARG 451 Cb 0.80 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 2aug h ARG 451 CO 0.07 -0.02 0.06 -0.07 -1.51 0.00 0.00 179.97 178.51 2aug h LEU 452 N -0.03 0.07 -0.33 3.80 3.38 -1.18 0.47 115.31 121.49 2aug h LEU 452 Ca 0.08 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2aug h LEU 452 Cb 0.14 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2aug h LEU 452 CO -0.17 0.07 0.10 0.40 0.09 0.00 0.00 178.44 178.93 2aug h ILE 453 N 0.16 1.21 -0.90 1.22 2.04 -1.09 -2.85 117.51 117.29 2aug h ILE 453 Ca 0.09 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.28 2aug h ILE 453 Cb 0.06 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2aug h ILE 453 CO -0.09 0.23 0.59 0.40 0.00 0.00 0.00 178.15 179.28 2aug h ILE 454 N 0.37 1.23 0.00 -0.67 2.04 -0.32 -1.65 117.51 118.53 2aug h ILE 454 Ca 0.11 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2aug h ILE 454 Cb 0.25 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 2aug h ILE 454 CO -0.00 0.23 0.00 0.00 0.00 0.00 0.00 178.15 178.37 2aug n GLN 455 N -4.45 0.31 -0.01 2.37 6.02 0.14 -1.06 117.38 120.70 2aug n GLN 455 Ca 0.10 0.08 0.13 0.00 -0.01 0.00 0.00 57.00 57.30 2aug n GLN 455 Cb 0.02 -1.50 0.37 0.00 1.02 0.00 0.00 30.24 30.15 2aug n GLN 455 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2aug n GLN 456 N -1.15 1.91 -0.52 -1.09 1.13 -0.62 -4.94 117.38 112.10 2aug n GLN 456 Ca 0.08 -1.32 0.00 0.00 -1.94 0.00 0.00 57.00 53.82 2aug n GLN 456 Cb 0.08 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 28.96 2aug n GLN 456 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2aug n GLY 457 N 1.24 0.69 3.85 1.08 0.00 -0.22 -4.34 105.19 107.48 2aug n GLY 457 Ca 0.17 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 2aug n GLY 457 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aug n LEU 458 N 0.00 -2.60 -4.77 0.99 4.77 -1.24 -4.95 117.00 109.20 2aug n LEU 458 Ca 0.00 -0.93 -0.39 0.00 -0.03 0.00 0.00 56.01 54.66 2aug n LEU 458 Cb 0.00 -2.41 -0.06 0.00 -2.33 0.00 0.00 43.42 38.62 2aug n LEU 458 CO 0.00 0.42 0.36 -0.69 -1.33 0.00 0.00 177.39 176.15 2aug s VAL 459 N -3.83 4.75 0.30 4.08 1.01 -1.26 -4.41 120.40 121.04 2aug s VAL 459 Ca 0.01 1.40 -0.30 0.00 0.00 0.00 0.00 61.98 63.10 2aug s VAL 459 Cb -0.01 -4.00 -0.13 0.00 0.00 0.00 0.00 36.38 32.25 2aug s VAL 459 CO 0.86 0.45 1.39 0.47 0.00 0.00 0.00 175.10 178.27 2aug n ASP 460 N 2.38 2.98 0.00 3.32 8.00 -1.26 -2.46 116.55 129.51 2aug n ASP 460 Ca -0.06 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.61 2aug n ASP 460 Cb 0.50 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 2aug n ASP 460 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aug n GLY 461 N 1.51 1.35 3.75 0.44 0.00 -0.67 -4.80 105.19 106.78 2aug n GLY 461 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2aug n GLY 461 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aug s VAL 462 N -2.35 3.13 0.37 1.61 1.01 -1.03 -1.06 120.40 122.08 2aug s VAL 462 Ca 0.00 1.05 -0.16 0.00 0.00 0.00 0.00 61.98 62.87 2aug s VAL 462 Cb 0.00 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.77 2aug s VAL 462 CO 0.00 0.22 0.83 0.72 0.00 0.00 0.00 175.10 176.86 2aug s PHE 463 N -0.67 0.13 -0.09 5.22 -0.71 -0.57 -1.21 117.98 120.08 2aug s PHE 463 Ca 0.50 -0.79 -0.31 0.00 -1.04 0.00 0.00 56.93 55.30 2aug s PHE 463 Cb -0.36 0.83 0.12 0.00 -1.21 0.00 0.00 43.02 42.40 2aug s PHE 463 CO 0.44 -1.51 1.01 -0.48 -1.34 0.00 0.00 175.22 173.33 2aug s LEU 464 N -3.12 -0.30 0.05 -1.99 0.05 -0.15 -0.90 118.68 112.32 2aug s LEU 464 Ca 0.17 0.09 0.09 0.00 0.05 0.00 0.00 54.13 54.52 2aug s LEU 464 Cb -0.05 1.80 -0.03 0.00 -2.05 0.00 0.00 46.19 45.86 2aug s LEU 464 CO 0.11 -0.44 -0.24 -0.69 -0.55 0.00 0.00 176.35 174.53 2aug s VAL 465 N -2.44 2.32 0.18 1.48 1.01 -0.49 -0.98 120.40 121.48 2aug s VAL 465 Ca 0.05 -1.37 -0.07 0.00 0.00 0.00 0.00 61.98 60.58 2aug s VAL 465 Cb -0.01 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 2aug s VAL 465 CO -0.06 0.34 0.26 0.00 0.00 0.00 0.00 175.10 175.65 2aug s ARG 466 N -1.36 1.21 0.49 2.72 1.70 -0.35 -0.60 118.95 122.76 2aug s ARG 466 Ca 0.13 -1.30 -0.20 0.00 -0.47 0.00 0.00 55.73 53.88 2aug s ARG 466 Cb -0.10 0.36 -0.08 0.00 -0.57 0.00 0.00 34.95 34.56 2aug s ARG 466 CO 0.03 -0.44 1.07 -0.51 -1.08 0.00 0.00 175.30 174.37 2aug s ASP 467 N -3.02 6.20 0.53 -2.89 1.01 -1.26 -0.98 116.67 116.26 2aug s ASP 467 Ca 0.23 2.02 -0.21 0.00 0.71 0.00 0.00 52.55 55.29 2aug s ASP 467 Cb 0.04 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 2aug s ASP 467 CO 0.04 -0.88 1.24 -0.55 0.21 0.00 0.00 175.17 175.23 2aug s SER 468 N -1.87 5.56 0.12 0.27 0.15 -0.94 -4.65 113.70 112.34 2aug s SER 468 Ca 0.68 2.49 0.24 0.00 0.70 0.00 0.00 55.95 60.05 2aug s SER 468 Cb -0.19 -2.61 0.29 0.00 -1.71 0.00 0.00 66.02 61.79 2aug s SER 468 CO 0.23 -1.35 1.27 1.56 1.20 0.00 0.00 173.24 176.15 2aug h GLN 469 N 1.49 0.00 -6.18 5.44 4.20 -1.94 -3.46 115.11 114.65 2aug h GLN 469 Ca -0.50 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 57.68 2aug h GLN 469 Cb 1.28 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.01 2aug h GLN 469 CO 0.58 0.00 -0.52 -1.54 -0.67 0.00 0.00 178.83 176.67 2aug s SER 470 N -4.31 5.70 0.06 1.46 1.04 -1.26 -5.13 113.70 111.26 2aug s SER 470 Ca 0.05 -0.13 0.06 0.00 0.48 0.00 0.00 55.95 56.42 2aug s SER 470 Cb 0.13 -1.52 -0.04 0.00 0.10 0.00 0.00 66.02 64.69 2aug s SER 470 CO 0.73 0.01 -0.11 0.20 0.98 0.00 0.00 173.24 175.05 2aug s ASN 471 N -3.53 4.33 0.90 7.02 0.01 -1.26 -4.15 114.94 118.27 2aug s ASN 471 Ca 0.32 -0.32 -0.10 0.00 -0.71 0.00 0.00 52.86 52.05 2aug s ASN 471 Cb -0.09 -0.86 0.14 0.00 0.41 0.00 0.00 41.25 40.84 2aug s ASN 471 CO 0.25 0.23 1.15 -2.84 -1.51 0.00 0.00 177.10 174.39 2aug s PRO 472 N -1.77 1.08 -0.07 -0.60 0.02 -1.26 -5.09 135.00 127.31 2aug s PRO 472 Ca 0.18 1.57 -0.30 0.00 0.02 0.00 0.00 61.00 62.48 2aug s PRO 472 Cb -0.11 -1.73 -0.05 0.00 0.02 0.00 0.00 34.50 32.63 2aug s PRO 472 CO 0.10 -2.59 1.67 -1.59 -0.33 0.00 0.00 177.00 174.25 2aug s LYS 473 N -4.60 4.12 0.00 5.54 0.00 -1.26 -4.97 119.74 118.58 2aug s LYS 473 Ca 0.67 2.14 0.00 0.00 0.00 0.00 0.00 55.97 58.78 2aug s LYS 473 Cb -0.23 -4.00 0.00 0.00 0.00 0.00 0.00 37.83 33.60 2aug s LYS 473 CO 0.57 -0.92 0.00 0.25 0.00 0.00 0.00 175.35 175.26 2aug n THR 474 N 5.61 0.00 -4.14 3.79 -2.24 -1.26 -5.00 114.28 111.04 2aug n THR 474 Ca 0.18 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.86 2aug n THR 474 Cb 0.43 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.56 2aug n THR 474 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2aug s PHE 475 N -0.06 0.78 -0.04 4.78 0.08 -0.84 -2.21 117.98 120.47 2aug s PHE 475 Ca 0.00 -1.13 0.02 0.00 0.12 0.00 0.00 56.93 55.94 2aug s PHE 475 Cb 0.00 -0.47 0.01 0.00 -0.57 0.00 0.00 43.02 41.99 2aug s PHE 475 CO 0.00 -0.41 -0.10 0.08 -0.10 0.00 0.00 175.22 174.69 2aug s VAL 476 N -3.93 0.88 -0.26 -0.44 1.01 -0.16 0.10 120.40 117.61 2aug s VAL 476 Ca 0.17 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 2aug s VAL 476 Cb 0.07 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 2aug s VAL 476 CO -0.03 0.28 0.16 -0.22 0.00 0.00 0.00 175.10 175.30 2aug s LEU 477 N 0.40 4.00 -0.14 3.92 2.96 0.22 -1.21 118.68 128.83 2aug s LEU 477 Ca -0.07 0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 53.86 2aug s LEU 477 Cb -0.11 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 2aug s LEU 477 CO 0.01 0.01 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.48 2aug s SER 478 N 1.39 3.85 0.12 3.68 0.01 -0.16 -0.47 113.70 122.12 2aug s SER 478 Ca 0.07 -0.40 -0.11 0.00 1.31 0.00 0.00 55.95 56.82 2aug s SER 478 Cb -0.15 -1.59 0.01 0.00 0.21 0.00 0.00 66.02 64.50 2aug s SER 478 CO 0.07 0.12 0.29 0.00 0.41 0.00 0.00 173.24 174.13 2aug s MET 479 N 0.60 1.01 0.01 12.44 0.23 -0.55 -0.98 119.30 132.06 2aug s MET 479 Ca -0.08 -0.93 0.04 0.00 -1.03 0.00 0.00 55.69 53.69 2aug s MET 479 Cb -0.16 0.40 -0.03 0.00 -1.53 0.00 0.00 34.83 33.51 2aug s MET 479 CO 0.03 -0.36 -0.09 -1.54 -2.03 0.00 0.00 175.02 171.03 2aug s SER 480 N -2.87 4.47 -0.28 -1.18 1.04 -0.35 -0.46 113.70 114.08 2aug s SER 480 Ca 0.07 -0.19 -0.19 0.00 0.48 0.00 0.00 55.95 56.12 2aug s SER 480 Cb 0.03 -1.00 0.12 0.00 0.10 0.00 0.00 66.02 65.27 2aug s SER 480 CO -0.09 0.28 0.89 -2.28 0.98 0.00 0.00 173.24 173.03 2aug s HIS 481 N -0.98 -0.70 -1.27 5.02 5.04 0.18 -1.67 115.29 120.92 2aug s HIS 481 Ca 0.17 1.48 -0.01 0.00 -1.54 0.00 0.00 55.06 55.16 2aug s HIS 481 Cb -0.11 0.42 0.00 0.00 0.04 0.00 0.00 32.58 32.93 2aug s HIS 481 CO 0.07 -0.34 0.13 0.41 -2.34 0.00 0.00 174.74 172.67 2aug n GLY 482 N 3.39 -0.25 2.33 1.59 0.00 -1.26 -2.27 105.19 108.73 2aug n GLY 482 Ca -0.17 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 2aug n GLY 482 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2aug n GLN 483 N -2.68 -1.05 -4.09 1.61 1.13 -1.26 -5.00 117.38 106.04 2aug n GLN 483 Ca -0.15 0.83 -0.08 0.00 -1.94 0.00 0.00 57.00 55.65 2aug n GLN 483 Cb 0.62 -5.02 -0.10 0.00 0.11 0.00 0.00 30.24 25.85 2aug n GLN 483 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2aug s LYS 484 N -3.99 0.61 -0.18 -1.09 1.02 -0.96 -5.07 119.74 110.07 2aug s LYS 484 Ca 0.00 -1.14 -0.08 0.00 0.02 0.00 0.00 55.97 54.77 2aug s LYS 484 Cb 0.00 0.10 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 2aug s LYS 484 CO 0.00 -0.08 0.08 0.42 -0.92 0.00 0.00 175.35 174.86 2aug s ILE 485 N -3.42 4.99 -0.03 2.17 1.01 -1.26 -0.65 121.20 124.01 2aug s ILE 485 Ca 0.04 0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.80 2aug s ILE 485 Cb 0.04 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.25 2aug s ILE 485 CO -0.07 0.47 -0.26 -0.54 0.00 0.00 0.00 174.94 174.54 2aug s LYS 486 N 0.21 2.25 -0.11 2.79 -0.14 0.40 -4.98 119.74 120.16 2aug s LYS 486 Ca 0.06 -0.92 0.03 0.00 -1.36 0.00 0.00 55.97 53.77 2aug s LYS 486 Cb -0.12 -2.08 -0.00 0.00 -1.68 0.00 0.00 37.83 33.95 2aug s LYS 486 CO -0.00 0.50 -0.21 -1.01 -0.76 0.00 0.00 175.35 173.87 2aug s HIS 487 N -0.46 2.63 -0.15 3.18 3.76 -1.26 -1.48 115.29 121.51 2aug s HIS 487 Ca 0.05 -0.99 0.02 0.00 -0.15 0.00 0.00 55.06 53.99 2aug s HIS 487 Cb -0.11 -1.75 0.02 0.00 1.11 0.00 0.00 32.58 31.84 2aug s HIS 487 CO 0.01 -0.39 -0.19 -0.06 -0.85 0.00 0.00 174.74 173.25 2aug s PHE 488 N 0.40 2.55 0.17 1.40 0.08 0.38 -4.95 117.98 118.00 2aug s PHE 488 Ca -0.16 -1.38 -0.30 0.00 0.12 0.00 0.00 56.93 55.21 2aug s PHE 488 Cb -0.17 -1.77 -0.08 0.00 -0.57 0.00 0.00 43.02 40.43 2aug s PHE 488 CO 0.07 -0.67 1.17 -1.14 -0.10 0.00 0.00 175.22 174.55 2aug s GLN 489 N 1.10 4.51 -0.36 0.44 2.00 -1.26 -0.61 119.66 125.47 2aug s GLN 489 Ca -0.01 1.82 -0.09 0.00 -2.00 0.00 0.00 55.36 55.07 2aug s GLN 489 Cb -0.14 -3.26 0.03 0.00 0.80 0.00 0.00 33.01 30.44 2aug s GLN 489 CO -0.07 -0.07 0.17 0.42 -0.50 0.00 0.00 175.29 175.24 2aug s ILE 490 N 0.05 4.31 0.27 -2.34 1.01 0.29 -4.43 121.20 120.36 2aug s ILE 490 Ca 0.53 -0.95 0.08 0.00 0.00 0.00 0.00 60.65 60.31 2aug s ILE 490 Cb -0.31 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 2aug s ILE 490 CO 0.35 -0.22 0.10 0.27 0.00 0.00 0.00 174.94 175.44 2aug s ILE 491 N 1.50 3.77 -0.05 2.92 -4.36 0.28 -1.99 121.20 123.27 2aug s ILE 491 Ca 0.01 -1.68 -0.16 0.00 -0.26 0.00 0.00 60.65 58.56 2aug s ILE 491 Cb -0.19 -3.08 -0.05 0.00 1.25 0.00 0.00 42.46 40.39 2aug s ILE 491 CO 0.05 -0.33 0.41 -2.16 0.24 0.00 0.00 174.94 173.15 2aug s PRO 492 N -3.77 4.08 0.03 0.37 0.04 -1.26 -0.78 135.00 133.71 2aug s PRO 492 Ca 0.33 0.38 0.04 0.00 0.04 0.00 0.00 61.00 61.79 2aug s PRO 492 Cb -0.06 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 2aug s PRO 492 CO 0.22 0.49 -0.12 0.14 0.04 0.00 0.00 177.00 177.77 2aug s VAL 493 N -0.42 0.93 0.16 -0.36 -7.23 0.37 -4.92 120.40 108.93 2aug s VAL 493 Ca 0.23 -0.89 0.04 0.00 -1.81 0.00 0.00 61.98 59.55 2aug s VAL 493 Cb -0.16 -0.85 -0.04 0.00 0.56 0.00 0.00 36.38 35.89 2aug s VAL 493 CO 0.11 -0.03 0.21 -0.70 -0.31 0.00 0.00 175.10 174.39 2aug s GLU 494 N -1.04 3.17 -0.30 4.82 2.12 -1.26 -0.27 118.70 125.94 2aug s GLU 494 Ca -0.00 -0.75 -0.13 0.00 0.36 0.00 0.00 54.97 54.45 2aug s GLU 494 Cb -0.07 -2.80 0.17 0.00 0.26 0.00 0.00 34.13 31.69 2aug s GLU 494 CO 0.01 0.50 0.95 0.34 -0.54 0.00 0.00 175.26 176.52 2aug s ASP 495 N -3.23 -0.65 -1.24 -1.70 2.15 0.08 -4.98 116.67 107.11 2aug s ASP 495 Ca 0.33 0.66 -0.05 0.00 0.43 0.00 0.00 52.55 53.92 2aug s ASP 495 Cb -0.10 1.65 -0.01 0.00 -0.30 0.00 0.00 42.92 44.15 2aug s ASP 495 CO 0.26 -0.12 0.76 -0.67 -0.17 0.00 0.00 175.17 175.22 2aug n ASP 496 N 5.19 -2.64 0.00 -0.34 4.64 -1.26 -2.10 116.55 120.04 2aug n ASP 496 Ca -0.07 -0.83 0.00 0.00 -1.38 0.00 0.00 54.79 52.50 2aug n ASP 496 Cb 0.53 -4.13 0.00 0.00 -1.04 0.00 0.00 41.12 36.48 2aug n ASP 496 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2aug n GLY 497 N -1.53 0.41 3.40 0.27 0.00 -1.26 -4.99 105.19 101.49 2aug n GLY 497 Ca -0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 2aug n GLY 497 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aug s GLU 498 N -0.67 1.55 -0.10 1.61 2.02 -0.89 -5.13 118.70 117.08 2aug s GLU 498 Ca 0.00 -1.27 -0.01 0.00 0.02 0.00 0.00 54.97 53.71 2aug s GLU 498 Cb 0.00 -1.96 -0.03 0.00 0.10 0.00 0.00 34.13 32.24 2aug s GLU 498 CO 0.00 0.47 -0.05 -1.64 0.02 0.00 0.00 175.26 174.06 2aug s MET 499 N -1.92 3.06 0.31 1.61 -1.94 -1.26 -0.74 119.30 118.42 2aug s MET 499 Ca 0.14 -0.52 0.04 0.00 -1.71 0.00 0.00 55.69 53.64 2aug s MET 499 Cb -0.10 -2.72 -0.06 0.00 2.01 0.00 0.00 34.83 33.96 2aug s MET 499 CO 0.06 0.54 0.05 -0.06 -0.01 0.00 0.00 175.02 175.60 2aug s PHE 500 N -0.47 1.89 -0.02 -0.03 0.40 0.63 -4.89 117.98 115.50 2aug s PHE 500 Ca 0.07 -0.97 0.04 0.00 -0.60 0.00 0.00 56.93 55.47 2aug s PHE 500 Cb -0.12 -1.21 -0.03 0.00 0.51 0.00 0.00 43.02 42.17 2aug s PHE 500 CO 0.02 -0.02 -0.11 -1.01 0.70 0.00 0.00 175.22 174.80 2aug s HIS 501 N -3.34 2.77 0.14 0.36 3.76 0.41 -0.48 115.29 118.91 2aug s HIS 501 Ca 0.36 -0.11 -0.17 0.00 -0.15 0.00 0.00 55.06 54.98 2aug s HIS 501 Cb 0.08 -1.61 0.04 0.00 1.11 0.00 0.00 32.58 32.20 2aug s HIS 501 CO 0.15 0.28 0.45 -0.08 -0.85 0.00 0.00 174.74 174.68 2aug s THR 502 N -0.86 0.05 0.00 1.30 -1.32 0.04 -1.46 115.64 113.40 2aug s THR 502 Ca 0.14 -0.50 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 2aug s THR 502 Cb -0.11 -1.18 0.00 0.00 -1.51 0.00 0.00 72.50 69.70 2aug s THR 502 CO 0.04 -0.24 0.40 0.00 -2.21 0.00 0.00 174.62 172.60 2aug n LEU 503 N -0.26 0.67 -2.07 9.08 -0.00 -1.26 -0.56 117.00 122.60 2aug n LEU 503 Ca -0.16 -0.67 -0.17 0.00 -0.00 0.00 0.00 56.01 55.02 2aug n LEU 503 Cb 0.64 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 44.10 2aug n LEU 503 CO 0.16 0.17 0.15 -0.90 -0.00 0.00 0.00 177.39 176.97 2aug n ASP 504 N -0.07 3.98 -2.87 1.45 5.75 -1.26 -4.89 116.55 118.65 2aug n ASP 504 Ca 0.00 -3.40 -0.21 0.00 -0.01 0.00 0.00 54.79 51.17 2aug n ASP 504 Cb 0.18 -0.38 0.04 0.00 -1.03 0.00 0.00 41.12 39.93 2aug n ASP 504 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2aug n ASP 505 N -0.70 -5.83 0.00 -1.12 4.64 -1.26 -2.93 116.55 109.36 2aug n ASP 505 Ca 0.34 -0.30 0.00 0.00 -1.38 0.00 0.00 54.79 53.45 2aug n ASP 505 Cb 0.92 -4.62 0.00 0.00 -1.04 0.00 0.00 41.12 36.38 2aug n ASP 505 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2aug n GLY 506 N -1.54 0.89 0.18 0.27 0.00 -1.26 -4.91 105.19 98.83 2aug n GLY 506 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.96 2aug n GLY 506 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2aug h HIS 507 N 0.00 0.00 -3.23 1.61 3.86 -1.97 -3.39 115.15 112.04 2aug h HIS 507 Ca 0.00 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.70 2aug h HIS 507 Cb 0.00 0.00 -0.38 0.00 1.06 0.00 0.00 27.41 28.09 2aug h HIS 507 CO 0.00 0.42 -0.79 0.99 0.86 0.00 0.00 177.93 179.41 2aug s THR 508 N -4.01 0.84 0.18 2.45 2.01 -1.26 -5.12 115.64 110.73 2aug s THR 508 Ca -0.02 -0.24 0.08 0.00 0.31 0.00 0.00 61.69 61.81 2aug s THR 508 Cb 0.14 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 2aug s THR 508 CO 0.72 0.27 -0.03 -0.13 -0.69 0.00 0.00 174.62 174.77 2aug s ARG 509 N 1.77 2.29 0.03 4.92 0.52 -1.26 -4.53 118.95 122.69 2aug s ARG 509 Ca 0.04 -1.18 -0.03 0.00 -0.52 0.00 0.00 55.73 54.04 2aug s ARG 509 Cb -0.13 -2.28 -0.02 0.00 0.52 0.00 0.00 34.95 33.04 2aug s ARG 509 CO -0.07 0.44 0.04 -0.06 0.02 0.00 0.00 175.30 175.67 2aug s PHE 510 N -1.76 0.24 0.09 -0.53 0.08 -0.53 -4.96 117.98 110.61 2aug s PHE 510 Ca 0.27 -0.54 -0.02 0.00 0.12 0.00 0.00 56.93 56.76 2aug s PHE 510 Cb -0.09 -0.18 -0.24 0.00 -0.57 0.00 0.00 43.02 41.94 2aug s PHE 510 CO 0.18 -0.30 1.19 1.79 -0.10 0.00 0.00 175.22 177.97 2aug h THR 511 N 3.98 1.54 -3.95 0.64 1.35 -1.90 0.12 112.91 114.69 2aug h THR 511 Ca -0.32 -3.07 -0.23 0.00 -0.55 0.00 0.00 66.41 62.24 2aug h THR 511 Cb 1.19 2.87 -0.07 0.00 -1.73 0.00 0.00 68.15 70.41 2aug h THR 511 CO 0.48 0.89 -0.13 1.51 -0.25 0.00 0.00 175.52 178.03 2aug s ASP 512 N -7.05 0.73 0.34 5.36 -4.77 -1.26 -4.67 116.67 105.34 2aug s ASP 512 Ca -0.03 -1.41 0.12 0.00 -3.30 0.00 0.00 52.55 47.93 2aug s ASP 512 Cb 0.08 0.68 0.60 0.00 -1.09 0.00 0.00 42.92 43.19 2aug s ASP 512 CO 0.87 -1.34 1.75 -0.07 0.70 0.00 0.00 175.17 177.08 2aug h LEU 513 N 2.10 0.00 -0.01 2.11 3.38 -1.98 -2.87 115.31 118.04 2aug h LEU 513 Ca -0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2aug h LEU 513 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 2aug h LEU 513 CO 0.39 0.46 0.00 0.40 0.09 0.00 0.00 178.44 179.78 2aug h ILE 514 N 0.00 1.13 -0.95 1.22 2.04 -1.96 -0.10 117.51 118.89 2aug h ILE 514 Ca -0.00 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.49 2aug h ILE 514 Cb 0.81 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 38.21 2aug h ILE 514 CO 0.06 0.10 0.63 -0.61 0.00 0.00 0.00 178.15 178.33 2aug h GLN 515 N -0.15 1.21 -0.30 2.37 4.15 -1.97 -1.26 115.11 119.16 2aug h GLN 515 Ca 0.00 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 2aug h GLN 515 Cb 0.16 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 2aug h GLN 515 CO -0.00 0.80 0.08 1.25 -1.93 0.00 0.00 178.83 179.02 2aug h LEU 516 N 1.24 0.46 -0.07 -2.39 6.46 -1.27 -2.05 115.31 117.69 2aug h LEU 516 Ca 0.37 -0.23 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 2aug h LEU 516 Cb -0.06 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.74 2aug h LEU 516 CO -0.10 0.57 0.01 0.58 -0.62 0.00 0.00 178.44 178.88 2aug h VAL 517 N 0.33 1.22 0.00 1.05 2.07 -0.75 -1.69 116.25 118.48 2aug h VAL 517 Ca 0.10 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2aug h VAL 517 Cb 0.29 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2aug h VAL 517 CO 0.00 0.19 -0.08 -0.33 0.02 0.00 0.00 177.57 177.37 2aug h GLU 518 N -0.12 0.00 -0.03 1.57 5.08 -1.25 0.10 114.58 119.94 2aug h GLU 518 Ca 0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2aug h GLU 518 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2aug h GLU 518 CO 0.00 0.08 -0.20 0.35 -1.00 0.00 0.00 179.01 178.24 2aug h PHE 519 N 0.00 0.25 0.00 4.33 3.57 -1.12 -3.23 116.94 120.74 2aug h PHE 519 Ca -0.00 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.38 2aug h PHE 519 Cb 0.21 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.91 2aug h PHE 519 CO 0.00 0.86 0.00 0.66 -2.23 0.00 0.00 178.31 177.60 2aug n TYR 520 N -4.55 0.71 0.22 0.41 4.01 -0.66 -1.09 117.16 116.21 2aug n TYR 520 Ca -0.09 0.28 0.11 0.00 -0.16 0.00 0.00 57.90 58.04 2aug n TYR 520 Cb 0.45 -0.94 0.37 0.00 -0.31 0.00 0.00 39.34 38.91 2aug n TYR 520 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2aug h GLN 521 N 0.00 0.00 0.00 -0.72 4.20 -1.02 -1.85 115.11 115.71 2aug h GLN 521 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2aug h GLN 521 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2aug h GLN 521 CO 0.00 0.14 -1.33 1.28 -0.67 0.00 0.00 178.83 178.26 2aug n LEU 522 N -3.20 0.04 -3.84 1.46 4.77 -0.76 -4.39 117.00 111.08 2aug n LEU 522 Ca 0.02 -0.05 -0.18 0.00 -0.03 0.00 0.00 56.01 55.76 2aug n LEU 522 Cb 0.47 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.40 2aug n LEU 522 CO 0.33 0.01 -0.38 0.20 -1.33 0.00 0.00 177.39 176.22 2aug s ASN 523 N -2.96 0.64 0.26 -1.43 0.01 -0.25 -5.05 114.94 106.16 2aug s ASN 523 Ca -0.03 -0.06 0.13 0.00 -0.71 0.00 0.00 52.86 52.20 2aug s ASN 523 Cb 0.06 -0.30 0.15 0.00 0.41 0.00 0.00 41.25 41.57 2aug s ASN 523 CO 0.39 -0.09 1.48 0.07 -1.51 0.00 0.00 177.10 177.44 2aug h LYS 524 N 7.29 0.00 0.00 -0.60 2.10 -1.86 -3.35 116.57 120.14 2aug h LYS 524 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 2aug h LYS 524 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2aug h LYS 524 CO 0.46 0.62 0.00 0.41 -2.00 0.00 0.00 179.45 178.94 2aug n GLY 525 N 0.96 3.47 0.06 0.07 0.00 -1.26 -0.35 105.19 108.13 2aug n GLY 525 Ca 0.01 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.18 2aug n GLY 525 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2aug n VAL 526 N 0.00 0.00 -1.97 1.61 0.24 -1.26 -4.89 118.33 112.06 2aug n VAL 526 Ca 0.00 -0.03 -0.33 0.00 -2.04 0.00 0.00 64.34 61.94 2aug n VAL 526 Cb 0.00 -0.21 0.02 0.00 -1.47 0.00 0.00 33.84 32.18 2aug n VAL 526 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2aug s LEU 527 N -2.66 3.51 0.59 1.34 1.43 0.52 -4.93 118.68 118.48 2aug s LEU 527 Ca 0.24 1.98 0.35 0.00 -1.03 0.00 0.00 54.13 55.67 2aug s LEU 527 Cb 0.20 -4.55 1.81 0.00 0.03 0.00 0.00 46.19 43.67 2aug s LEU 527 CO 0.51 -1.38 2.18 1.55 0.23 0.00 0.00 176.35 179.44 2aug h PRO 528 N 0.44 0.00 -1.91 1.29 0.13 -1.90 -3.46 132.00 126.60 2aug h PRO 528 Ca -0.48 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 64.91 2aug h PRO 528 Cb 1.24 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.27 2aug h PRO 528 CO 0.56 0.04 0.67 0.00 -0.23 0.00 0.00 178.00 179.04 2aug s LYS 530 N -2.76 1.81 -0.75 0.00 1.02 -1.26 -4.79 119.74 113.00 2aug s LYS 530 Ca 0.14 1.09 -0.23 0.00 0.02 0.00 0.00 55.97 56.99 2aug s LYS 530 Cb 0.02 -1.85 0.07 0.00 -0.52 0.00 0.00 37.83 35.54 2aug s LYS 530 CO -0.01 -1.93 1.12 -0.51 -0.92 0.00 0.00 175.35 173.10 2aug s LEU 531 N -6.09 4.05 -0.19 3.17 1.43 -0.70 -4.21 118.68 116.14 2aug s LEU 531 Ca 0.62 -1.03 -0.10 0.00 -1.03 0.00 0.00 54.13 52.59 2aug s LEU 531 Cb -0.18 -2.47 -0.21 0.00 0.03 0.00 0.00 46.19 43.36 2aug s LEU 531 CO 0.57 -1.51 0.11 0.29 0.23 0.00 0.00 176.35 176.04 2aug n LYS 532 N 8.14 0.66 -3.68 1.70 5.02 -0.22 -4.40 118.16 125.38 2aug n LYS 532 Ca 0.05 0.32 -0.29 0.00 -2.02 0.00 0.00 58.31 56.38 2aug n LYS 532 Cb 0.47 -1.65 -0.16 0.00 -0.02 0.00 0.00 35.03 33.67 2aug n LYS 532 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2aug s HIS 533 N -2.49 1.05 0.34 2.13 3.76 -0.66 -4.98 115.29 114.45 2aug s HIS 533 Ca -0.29 -1.14 -0.26 0.00 -0.15 0.00 0.00 55.06 53.22 2aug s HIS 533 Cb 0.08 -1.22 -0.09 0.00 1.11 0.00 0.00 32.58 32.46 2aug s HIS 533 CO 0.65 -0.75 1.02 1.52 -0.85 0.00 0.00 174.74 176.33 2aug s TYR 534 N 1.85 3.50 0.28 1.40 -0.85 -1.26 -1.51 117.35 120.76 2aug s TYR 534 Ca 0.05 1.71 -0.29 0.00 -0.52 0.00 0.00 57.07 58.02 2aug s TYR 534 Cb -0.17 -3.09 -0.10 0.00 0.38 0.00 0.00 41.96 38.99 2aug s TYR 534 CO -0.21 -0.30 1.17 0.00 -1.52 0.00 0.00 175.55 174.69 2aug s ALA 536 N -1.04 3.51 -2.00 0.00 0.00 -1.26 -4.68 121.76 116.28 2aug s ALA 536 Ca 0.47 1.09 0.12 0.00 0.00 0.00 0.00 51.96 53.64 2aug s ALA 536 Cb -0.34 -3.47 0.73 0.00 0.00 0.00 0.00 23.12 20.04 2aug s ALA 536 CO 0.44 -0.51 1.16 0.54 0.00 0.00 0.00 175.76 177.39