#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whv s SER 424 N 0.00 -0.20 -0.14 1.61 0.15 -1.26 -5.15 113.70 108.71 1whv s SER 424 Ca 0.00 0.37 0.02 0.00 0.70 0.00 0.00 55.95 57.05 1whv s SER 424 Cb 0.00 0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1whv s SER 424 CO 0.00 -0.10 -0.21 -0.44 1.20 0.00 0.00 173.24 173.69 1whv s SER 425 N -0.03 3.00 0.21 5.45 0.01 -1.26 -5.12 113.70 115.96 1whv s SER 425 Ca -0.01 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.69 1whv s SER 425 Cb -0.02 -1.39 -0.05 0.00 0.21 0.00 0.00 66.02 64.77 1whv s SER 425 CO 0.00 0.06 0.03 -0.83 0.41 0.00 0.00 173.24 172.92 1whv s GLY 426 N 0.91 1.47 -0.88 3.44 0.00 -1.26 -5.09 107.32 105.90 1whv s GLY 426 Ca -0.05 -1.72 -0.21 0.00 0.00 0.00 0.00 44.72 42.73 1whv s GLY 426 CO -0.03 -1.58 1.19 -0.56 0.00 0.00 0.00 173.10 172.12 1whv s SER 427 N -3.25 6.46 1.11 1.64 0.01 -1.26 -5.02 113.70 113.39 1whv s SER 427 Ca 0.29 -1.53 -0.16 0.00 1.31 0.00 0.00 55.95 55.86 1whv s SER 427 Cb 0.07 -2.46 0.20 0.00 0.21 0.00 0.00 66.02 64.03 1whv s SER 427 CO 0.08 -1.33 0.36 -1.20 0.41 0.00 0.00 173.24 171.57 1whv n SER 428 N 7.65 -3.06 0.00 2.44 7.64 -1.26 -4.85 113.62 122.18 1whv n SER 428 Ca 0.19 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.65 1whv n SER 428 Cb 0.49 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1whv n SER 428 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whv n GLY 429 N 2.25 -1.81 0.00 0.23 0.00 -1.26 -4.63 105.19 99.97 1whv n GLY 429 Ca 0.06 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1whv n GLY 429 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1whv n GLY 430 N -0.71 -0.61 3.62 -0.02 0.00 -1.26 -5.07 105.19 101.14 1whv n GLY 430 Ca 0.00 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 1whv n GLY 430 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whv s PRO 431 N -0.03 3.68 0.41 1.61 0.04 -1.26 -4.63 135.00 134.82 1whv s PRO 431 Ca 0.00 1.55 0.04 0.00 0.04 0.00 0.00 61.00 62.63 1whv s PRO 431 Cb 0.00 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1whv s PRO 431 CO 0.00 -1.44 0.58 -0.51 0.04 0.00 0.00 177.00 175.68 1whv s ASP 432 N 4.61 5.79 -0.90 6.66 1.11 -1.26 -4.96 116.67 127.72 1whv s ASP 432 Ca 0.72 -0.06 -0.26 0.00 0.18 0.00 0.00 52.55 53.13 1whv s ASP 432 Cb -0.23 -1.19 -0.18 0.00 1.07 0.00 0.00 42.92 42.39 1whv s ASP 432 CO 0.30 -0.65 2.31 0.18 1.18 0.00 0.00 175.17 178.49 1whv n LEU 433 N -1.89 1.62 -4.34 1.23 4.77 -1.26 -4.88 117.00 112.25 1whv n LEU 433 Ca 0.02 -1.85 -0.25 0.00 -0.03 0.00 0.00 56.01 53.90 1whv n LEU 433 Cb 0.58 -1.69 -0.12 0.00 -2.33 0.00 0.00 43.42 39.86 1whv n LEU 433 CO 0.44 -3.02 -0.52 0.00 -1.33 0.00 0.00 177.39 172.95 1whv s GLN 434 N 8.79 1.29 1.07 3.23 1.03 -1.26 -5.15 119.66 128.66 1whv s GLN 434 Ca 0.89 -1.32 -0.18 0.00 0.04 0.00 0.00 55.36 54.79 1whv s GLN 434 Cb -0.10 -1.56 0.27 0.00 0.03 0.00 0.00 33.01 31.64 1whv s GLN 434 CO 0.12 0.35 0.95 -0.35 -2.54 0.00 0.00 175.29 173.82 1whv n PRO 435 N 0.72 -2.88 -2.76 9.60 -0.04 -1.26 -4.93 135.00 133.45 1whv n PRO 435 Ca -0.16 -1.52 -0.43 0.00 -0.04 0.00 0.00 63.50 61.35 1whv n PRO 435 Cb 0.55 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.55 1whv n PRO 435 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1whv s LYS 436 N -5.16 3.57 -0.62 0.54 2.36 -1.26 -4.90 119.74 114.27 1whv s LYS 436 Ca 0.62 -1.43 0.05 0.00 -2.55 0.00 0.00 55.97 52.66 1whv s LYS 436 Cb -0.06 -5.05 0.17 0.00 -1.05 0.00 0.00 37.83 31.83 1whv s LYS 436 CO 0.47 -1.96 0.44 1.03 1.55 0.00 0.00 175.35 176.88 1whv s ARG 437 N 3.75 2.00 -0.21 4.03 0.52 -1.26 -4.91 118.95 122.86 1whv s ARG 437 Ca 0.38 -2.97 -0.18 0.00 -0.52 0.00 0.00 55.73 52.44 1whv s ARG 437 Cb -0.03 -2.84 -0.15 0.00 0.52 0.00 0.00 34.95 32.45 1whv s ARG 437 CO -0.08 -1.31 0.03 -0.40 0.02 0.00 0.00 175.30 173.55 1whv n ASP 438 N 2.26 1.88 -0.33 0.23 5.75 -1.26 -4.23 116.55 120.84 1whv n ASP 438 Ca 0.22 0.43 0.21 0.00 -0.01 0.00 0.00 54.79 55.64 1whv n ASP 438 Cb 0.39 -0.92 0.46 0.00 -1.03 0.00 0.00 41.12 40.02 1whv n ASP 438 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 1whv h HIS 439 N -1.00 0.79 -3.63 2.11 2.07 -1.90 -3.41 115.15 110.18 1whv h HIS 439 Ca -0.37 0.03 -0.52 0.00 -2.85 0.00 0.00 60.37 56.66 1whv h HIS 439 Cb 1.26 -0.23 0.05 0.00 2.57 0.00 0.00 27.41 31.05 1whv h HIS 439 CO -0.00 0.07 0.64 0.08 -3.07 0.00 0.00 177.93 175.65 1whv s VAL 440 N -5.59 2.99 -0.03 6.12 1.01 -1.26 -2.75 120.40 120.88 1whv s VAL 440 Ca -0.09 0.90 0.04 0.00 0.00 0.00 0.00 61.98 62.82 1whv s VAL 440 Cb 0.26 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.06 1whv s VAL 440 CO 0.80 0.18 -0.13 -0.76 0.00 0.00 0.00 175.10 175.18 1whv s LEU 441 N -0.95 1.87 -0.47 3.92 1.43 0.56 -3.05 118.68 121.98 1whv s LEU 441 Ca 0.52 -0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 53.16 1whv s LEU 441 Cb -0.38 -0.75 0.04 0.00 0.03 0.00 0.00 46.19 45.13 1whv s LEU 441 CO 0.45 0.12 0.65 -2.28 0.23 0.00 0.00 176.35 175.52 1whv s HIS 442 N 0.05 3.04 -0.20 0.29 5.65 0.12 -1.55 115.29 122.69 1whv s HIS 442 Ca -0.02 -0.25 -0.04 0.00 0.25 0.00 0.00 55.06 54.99 1whv s HIS 442 Cb -0.09 -3.46 -0.02 0.00 -1.18 0.00 0.00 32.58 27.83 1whv s HIS 442 CO 0.01 -0.97 -0.03 0.08 -0.65 0.00 0.00 174.74 173.19 1whv s VAL 443 N 2.81 3.68 -0.48 0.89 1.01 -1.25 -0.96 120.40 126.11 1whv s VAL 443 Ca 0.20 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 1whv s VAL 443 Cb -0.16 -2.66 0.06 0.00 0.00 0.00 0.00 36.38 33.63 1whv s VAL 443 CO 0.16 0.43 0.46 0.42 0.00 0.00 0.00 175.10 176.58 1whv s THR 444 N 1.09 5.12 0.15 3.92 -4.23 -0.55 -3.20 115.64 117.94 1whv s THR 444 Ca 0.02 -0.85 0.09 0.00 -1.18 0.00 0.00 61.69 59.76 1whv s THR 444 Cb -0.15 -4.17 -0.04 0.00 1.34 0.00 0.00 72.50 69.49 1whv s THR 444 CO 0.01 -0.63 -0.20 0.72 -0.54 0.00 0.00 174.62 173.98 1whv s PHE 445 N 1.96 1.85 0.37 3.99 -0.12 -1.13 -3.55 117.98 121.34 1whv s PHE 445 Ca 0.08 -0.45 -0.27 0.00 -0.05 0.00 0.00 56.93 56.24 1whv s PHE 445 Cb -0.22 -0.95 -0.09 0.00 -0.63 0.00 0.00 43.02 41.13 1whv s PHE 445 CO 0.09 0.30 1.20 -1.25 -0.05 0.00 0.00 175.22 175.51 1whv s PRO 446 N -2.50 4.20 0.31 1.99 0.04 -1.26 -4.48 135.00 133.30 1whv s PRO 446 Ca 0.13 1.95 0.03 0.00 0.04 0.00 0.00 61.00 63.15 1whv s PRO 446 Cb -0.07 -2.85 0.78 0.00 0.04 0.00 0.00 34.50 32.40 1whv s PRO 446 CO 0.06 -0.23 1.58 1.57 0.04 0.00 0.00 177.00 180.02 1whv h LYS 447 N 2.99 0.02 -0.83 4.56 2.10 -1.87 0.40 116.57 123.95 1whv h LYS 447 Ca -0.49 -0.00 0.34 0.00 -2.00 0.00 0.00 60.65 58.50 1whv h LYS 447 Cb 1.23 -0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.41 1whv h LYS 447 CO 0.64 0.01 0.42 -0.85 -2.00 0.00 0.00 179.45 177.67 1whv n GLU 448 N -5.46 -0.05 -0.39 0.07 0.28 -1.26 -4.42 120.64 109.41 1whv n GLU 448 Ca 0.24 1.15 -0.18 0.00 -0.16 0.00 0.00 57.16 58.21 1whv n GLU 448 Cb 0.78 -2.05 0.17 0.00 1.43 0.00 0.00 31.44 31.77 1whv n GLU 448 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 1whv n TRP 449 N -4.90 -2.76 -3.83 -1.84 7.02 0.14 -5.06 117.44 106.22 1whv n TRP 449 Ca 0.31 -0.24 -0.08 0.00 -1.02 0.00 0.00 57.50 56.47 1whv n TRP 449 Cb 1.04 -1.22 0.01 0.00 -2.42 0.00 0.00 31.31 28.71 1whv n TRP 449 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1whv s LYS 450 N -3.80 1.97 0.11 -0.99 1.02 -1.26 -5.03 119.74 111.76 1whv s LYS 450 Ca 0.39 -1.21 -0.28 0.00 0.02 0.00 0.00 55.97 54.89 1whv s LYS 450 Cb -0.07 0.59 -0.10 0.00 -0.52 0.00 0.00 37.83 37.74 1whv s LYS 450 CO 0.33 -0.92 1.63 1.15 -0.92 0.00 0.00 175.35 176.62 1whv h THR 451 N 2.00 0.38 -1.00 2.17 2.02 -1.98 -1.91 112.91 114.60 1whv h THR 451 Ca -0.27 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.17 1whv h THR 451 Cb 1.25 0.38 -0.13 0.00 -1.74 0.00 0.00 68.15 67.91 1whv h THR 451 CO 0.33 0.00 0.58 0.77 0.37 0.00 0.00 175.52 177.57 1whv h SER 452 N -0.55 0.63 -0.24 4.18 4.64 -1.98 0.15 113.55 120.38 1whv h SER 452 Ca 0.01 0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 1whv h SER 452 Cb 0.55 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1whv h SER 452 CO -0.13 0.06 0.11 0.44 -0.87 0.00 0.00 176.83 176.44 1whv h ASP 453 N 0.53 0.31 0.51 4.97 3.32 -1.77 0.26 116.42 124.55 1whv h ASP 453 Ca 0.66 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.55 1whv h ASP 453 Cb 1.29 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1whv h ASP 453 CO -0.50 0.36 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.07 1whv h LEU 454 N 0.24 -0.57 0.44 1.55 -0.00 -0.21 -0.95 115.31 115.81 1whv h LEU 454 Ca 0.08 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.91 1whv h LEU 454 Cb 0.14 0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.93 1whv h LEU 454 CO -0.01 -0.32 -0.41 1.88 -0.00 0.00 0.00 178.44 179.58 1whv h TYR 455 N -0.81 -1.14 -0.78 1.13 0.05 -1.01 -0.21 116.97 114.21 1whv h TYR 455 Ca -0.07 0.01 0.18 0.00 0.05 0.00 0.00 58.73 58.90 1whv h TYR 455 Cb 0.58 0.44 -0.13 0.00 1.01 0.00 0.00 36.73 38.63 1whv h TYR 455 CO -0.01 -0.56 0.13 -0.56 -1.05 0.00 0.00 178.16 176.11 1whv h GLN 456 N -0.84 0.18 0.76 4.88 3.07 -1.01 1.84 115.11 123.99 1whv h GLN 456 Ca -0.06 -0.01 -0.03 0.00 0.09 0.00 0.00 58.65 58.64 1whv h GLN 456 Cb 0.72 -0.04 -0.00 0.00 0.08 0.00 0.00 27.48 28.24 1whv h GLN 456 CO -0.03 0.12 -0.46 1.25 0.09 0.00 0.00 178.83 179.80 1whv h LEU 457 N 0.19 -1.16 0.00 0.06 5.85 -0.80 -2.19 115.31 117.26 1whv h LEU 457 Ca 0.45 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.23 1whv h LEU 457 Cb 0.81 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1whv h LEU 457 CO -0.60 -0.71 0.00 0.49 -0.34 0.00 0.00 178.44 177.28 1whv n PHE 458 N -5.36 0.00 -0.38 1.25 3.01 -0.12 -3.48 117.46 112.38 1whv n PHE 458 Ca -0.14 0.00 0.31 0.00 1.01 0.00 0.00 57.45 58.63 1whv n PHE 458 Cb 0.47 -0.49 0.57 0.00 -0.01 0.00 0.00 39.48 40.03 1whv n PHE 458 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1whv h SER 459 N 0.00 0.36 -0.76 4.37 0.87 0.35 0.20 113.55 118.94 1whv h SER 459 Ca 0.00 0.16 0.30 0.00 -1.23 0.00 0.00 61.79 61.03 1whv h SER 459 Cb 0.27 0.14 -0.12 0.00 -0.44 0.00 0.00 62.40 62.25 1whv h SER 459 CO 0.00 -0.17 0.44 0.00 -0.53 0.00 0.00 176.83 176.56 1whv n ALA 460 N -2.41 0.78 -0.08 6.23 0.00 -1.23 -0.05 120.51 123.75 1whv n ALA 460 Ca 0.34 0.68 -0.13 0.00 0.00 0.00 0.00 53.44 54.34 1whv n ALA 460 Cb 1.22 -0.72 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 1whv n ALA 460 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1whv h PHE 461 N 0.00 0.00 0.00 0.00 0.04 -1.27 -3.51 116.94 112.19 1whv h PHE 461 Ca 0.60 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.37 1whv h PHE 461 Cb 1.67 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.82 1whv h PHE 461 CO -0.01 0.79 0.00 0.41 -0.60 0.00 0.00 178.31 178.90 1whv n GLY 462 N 1.57 0.84 3.67 -1.45 0.00 0.93 -5.08 105.19 105.67 1whv n GLY 462 Ca -0.17 -1.74 -0.57 0.00 0.00 0.00 0.00 46.02 43.55 1whv n GLY 462 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1whv n ASN 463 N 0.00 2.02 -3.88 1.61 3.02 -1.26 -4.66 115.26 112.11 1whv n ASN 463 Ca 0.00 1.10 -0.15 0.00 -0.03 0.00 0.00 54.58 55.49 1whv n ASN 463 Cb 0.00 -1.13 -0.09 0.00 -0.61 0.00 0.00 39.78 37.95 1whv n ASN 463 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1whv s ILE 464 N 2.55 0.03 -0.27 2.41 -4.36 -1.26 -4.86 121.20 115.44 1whv s ILE 464 Ca 0.95 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 59.35 1whv s ILE 464 Cb -1.08 -2.50 0.05 0.00 1.25 0.00 0.00 42.46 40.18 1whv s ILE 464 CO 0.61 0.00 -0.07 -1.10 0.24 0.00 0.00 174.94 174.62 1whv s GLN 465 N -3.87 2.39 -0.42 0.37 -0.21 -1.20 -5.02 119.66 111.70 1whv s GLN 465 Ca 0.39 -1.27 -0.16 0.00 0.02 0.00 0.00 55.36 54.34 1whv s GLN 465 Cb 0.05 -2.98 0.02 0.00 1.00 0.00 0.00 33.01 31.10 1whv s GLN 465 CO 0.18 -0.56 0.38 0.42 -2.12 0.00 0.00 175.29 173.60 1whv s ILE 466 N 1.18 5.16 -0.32 1.08 1.01 -1.26 -1.94 121.20 126.11 1whv s ILE 466 Ca -0.06 -0.49 -0.17 0.00 0.00 0.00 0.00 60.65 59.92 1whv s ILE 466 Cb -0.19 -4.00 -0.01 0.00 0.01 0.00 0.00 42.46 38.26 1whv s ILE 466 CO -0.04 -0.39 0.48 -0.44 0.00 0.00 0.00 174.94 174.56 1whv s SER 467 N 1.78 6.32 -0.48 3.58 0.01 -0.59 -4.92 113.70 119.40 1whv s SER 467 Ca 0.09 0.10 -0.28 0.00 1.31 0.00 0.00 55.95 57.17 1whv s SER 467 Cb -0.18 -2.26 0.03 0.00 0.21 0.00 0.00 66.02 63.82 1whv s SER 467 CO 0.12 -0.40 1.07 0.26 0.41 0.00 0.00 173.24 174.70 1whv s TRP 468 N 2.31 2.84 -0.09 2.43 0.52 -1.26 -0.26 118.94 125.42 1whv s TRP 468 Ca 0.18 0.58 -0.05 0.00 0.02 0.00 0.00 56.10 56.82 1whv s TRP 468 Cb -0.16 -4.29 -0.02 0.00 -1.15 0.00 0.00 33.47 27.86 1whv s TRP 468 CO 0.12 -1.24 -0.10 0.82 0.02 0.00 0.00 176.95 176.57 1whv h ILE 469 N 6.18 0.00 -4.44 2.03 2.04 -1.85 -3.49 117.51 117.98 1whv h ILE 469 Ca -0.23 -0.69 -0.42 0.00 1.00 0.00 0.00 64.86 64.52 1whv h ILE 469 Cb 1.07 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.05 1whv h ILE 469 CO 1.10 0.00 -0.35 0.47 0.00 0.00 0.00 178.15 179.37 1whv n ASP 470 N -3.88 1.34 0.00 1.72 8.00 0.12 -4.98 116.55 118.87 1whv n ASP 470 Ca -0.04 -2.62 0.08 0.00 0.71 0.00 0.00 54.79 52.92 1whv n ASP 470 Cb 0.15 0.72 0.38 0.00 -0.02 0.00 0.00 41.12 42.35 1whv n ASP 470 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1whv n ASP 471 N -1.62 0.00 0.00 -2.24 -0.08 -1.26 -3.75 116.55 107.60 1whv n ASP 471 Ca -0.05 0.12 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 1whv n ASP 471 Cb 0.46 -0.31 0.00 0.00 2.34 0.00 0.00 41.12 43.60 1whv n ASP 471 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1whv n THR 472 N -1.31 0.00 -3.10 5.18 -2.24 -1.26 -3.44 114.28 108.11 1whv n THR 472 Ca 0.07 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.47 1whv n THR 472 Cb 0.13 -0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 67.99 1whv n THR 472 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1whv s SER 473 N -3.65 7.19 0.26 3.42 0.15 -1.25 -2.85 113.70 116.97 1whv s SER 473 Ca 0.00 1.47 0.04 0.00 0.70 0.00 0.00 55.95 58.16 1whv s SER 473 Cb 0.00 -2.44 -0.02 0.00 -1.71 0.00 0.00 66.02 61.86 1whv s SER 473 CO 0.00 0.17 0.26 0.00 1.20 0.00 0.00 173.24 174.87 1whv n ALA 474 N 1.32 0.37 -2.84 5.45 0.00 -1.19 -0.70 120.51 122.91 1whv n ALA 474 Ca -0.06 -1.46 -0.13 0.00 0.00 0.00 0.00 53.44 51.79 1whv n ALA 474 Cb 0.50 1.18 -0.13 0.00 0.00 0.00 0.00 19.45 21.00 1whv n ALA 474 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1whv s PHE 475 N -3.13 0.36 -0.23 0.00 0.08 0.64 -3.79 117.98 111.91 1whv s PHE 475 Ca 0.29 -0.22 -0.02 0.00 0.12 0.00 0.00 56.93 57.11 1whv s PHE 475 Cb 0.01 -0.23 0.07 0.00 -0.57 0.00 0.00 43.02 42.30 1whv s PHE 475 CO 0.21 -0.05 0.03 0.08 -0.10 0.00 0.00 175.22 175.38 1whv s VAL 476 N -0.56 0.82 -0.15 -0.44 1.01 -0.60 -1.54 120.40 118.94 1whv s VAL 476 Ca -0.04 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 1whv s VAL 476 Cb -0.04 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 1whv s VAL 476 CO -0.00 -0.28 0.26 -0.55 0.00 0.00 0.00 175.10 174.53 1whv s SER 477 N 1.71 6.43 0.54 3.32 0.15 -0.82 -0.33 113.70 124.70 1whv s SER 477 Ca -0.00 0.50 0.06 0.00 0.70 0.00 0.00 55.95 57.21 1whv s SER 477 Cb -0.18 -2.16 0.04 0.00 -1.71 0.00 0.00 66.02 62.01 1whv s SER 477 CO -0.11 0.16 0.44 -0.76 1.20 0.00 0.00 173.24 174.17 1whv s LEU 478 N 0.16 2.80 -0.18 3.45 1.43 -1.11 -3.23 118.68 121.99 1whv s LEU 478 Ca 0.16 -1.17 -0.17 0.00 -1.03 0.00 0.00 54.13 51.91 1whv s LEU 478 Cb -0.13 -1.30 -0.21 0.00 0.03 0.00 0.00 46.19 44.59 1whv s LEU 478 CO 0.04 -1.09 0.25 -1.20 0.23 0.00 0.00 176.35 174.57 1whv n SER 479 N -1.79 1.94 -4.44 2.29 7.64 -1.26 -4.84 113.62 113.15 1whv n SER 479 Ca 0.01 0.36 -0.28 0.00 1.01 0.00 0.00 58.87 59.97 1whv n SER 479 Cb 0.64 -0.94 -0.12 0.00 -1.01 0.00 0.00 64.21 62.78 1whv n SER 479 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1whv s GLN 480 N -2.42 1.58 0.24 1.43 -1.52 -1.26 -5.04 119.66 112.67 1whv s GLN 480 Ca -0.27 -1.42 0.01 0.00 -1.95 0.00 0.00 55.36 51.72 1whv s GLN 480 Cb 0.06 -1.92 0.26 0.00 -0.22 0.00 0.00 33.01 31.19 1whv s GLN 480 CO 0.64 0.42 1.60 -1.00 -0.25 0.00 0.00 175.29 176.71 1whv h PRO 481 N 3.38 0.47 -0.60 2.91 0.13 -1.95 -3.27 132.00 133.05 1whv h PRO 481 Ca -0.48 -0.25 0.09 0.00 -0.87 0.00 0.00 66.00 64.50 1whv h PRO 481 Cb 1.19 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 1whv h PRO 481 CO 0.46 0.82 -0.44 0.93 -0.23 0.00 0.00 178.00 179.54 1whv h GLU 482 N 0.38 -0.21 -0.95 0.86 4.39 -2.01 0.53 114.58 117.58 1whv h GLU 482 Ca 0.03 0.01 0.23 0.00 0.34 0.00 0.00 59.36 59.97 1whv h GLU 482 Cb 0.92 0.05 -0.18 0.00 -0.10 0.00 0.00 28.75 29.44 1whv h GLU 482 CO 0.08 -0.14 -0.09 1.96 -1.16 0.00 0.00 179.01 179.66 1whv h GLN 483 N -0.21 0.01 -0.74 2.33 4.20 -2.01 0.31 115.11 119.00 1whv h GLN 483 Ca 0.18 -0.00 0.11 0.00 0.06 0.00 0.00 58.65 59.00 1whv h GLN 483 Cb 0.56 -0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.22 1whv h GLN 483 CO -0.70 0.01 -0.29 0.28 -0.67 0.00 0.00 178.83 177.45 1whv n VAL 484 N -5.52 -0.39 -0.17 -0.54 0.31 0.18 0.78 118.33 112.96 1whv n VAL 484 Ca 0.19 1.73 -0.05 0.00 -0.01 0.00 0.00 64.34 66.20 1whv n VAL 484 Cb 0.61 -2.28 0.01 0.00 -0.91 0.00 0.00 33.84 31.27 1whv n VAL 484 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1whv h GLN 485 N 0.00 -0.16 0.52 5.55 5.75 -1.03 0.18 115.11 125.93 1whv h GLN 485 Ca 0.25 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.74 1whv h GLN 485 Cb 0.44 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 1whv h GLN 485 CO -0.73 -0.11 -0.34 0.82 -2.65 0.00 0.00 178.83 175.82 1whv h ILE 486 N -0.17 0.30 -0.79 2.39 5.03 0.27 0.21 117.51 124.75 1whv h ILE 486 Ca 0.22 0.00 0.18 0.00 -0.12 0.00 0.00 64.86 65.14 1whv h ILE 486 Cb 0.53 0.30 -0.11 0.00 -3.03 0.00 0.00 36.82 34.51 1whv h ILE 486 CO -0.62 0.00 0.26 0.00 -0.68 0.00 0.00 178.15 177.11 1whv h ALA 487 N -0.43 1.12 -0.17 1.87 0.00 -0.55 -0.81 119.26 120.28 1whv h ALA 487 Ca -0.06 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1whv h ALA 487 Cb 0.68 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1whv h ALA 487 CO 0.05 -0.31 -0.05 0.28 0.00 0.00 0.00 179.25 179.22 1whv h VAL 488 N 0.34 1.29 -0.30 0.00 2.07 -0.35 -1.43 116.25 117.87 1whv h VAL 488 Ca 0.46 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 67.02 1whv h VAL 488 Cb 0.80 1.62 -0.07 0.00 -1.52 0.00 0.00 31.29 32.11 1whv h VAL 488 CO -0.50 0.30 -0.20 -1.13 0.02 0.00 0.00 177.57 176.06 1whv h ASN 489 N 0.04 -0.66 -0.68 0.57 -1.24 0.70 0.25 115.58 114.55 1whv h ASN 489 Ca 0.04 0.14 -0.07 0.00 0.71 0.00 0.00 56.30 57.12 1whv h ASN 489 Cb 0.49 0.34 -0.03 0.00 0.73 0.00 0.00 38.32 39.85 1whv h ASN 489 CO 0.02 -0.24 0.14 0.71 -1.29 0.00 0.00 177.43 176.77 1whv h THR 490 N -0.17 1.26 -0.83 -3.57 1.35 -1.21 -2.90 112.91 106.84 1whv h THR 490 Ca 0.16 -1.01 -0.01 0.00 -0.55 0.00 0.00 66.41 65.00 1whv h THR 490 Cb 0.42 0.59 -0.04 0.00 -1.73 0.00 0.00 68.15 67.39 1whv h THR 490 CO -0.41 0.38 0.46 0.77 -0.25 0.00 0.00 175.52 176.48 1whv h SER 491 N 1.04 1.03 -0.39 5.36 4.64 -0.28 -2.15 113.55 122.79 1whv h SER 491 Ca 0.21 -0.09 0.04 0.00 -0.47 0.00 0.00 61.79 61.47 1whv h SER 491 Cb 0.41 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 62.19 1whv h SER 491 CO 0.01 0.82 -0.23 0.29 -0.87 0.00 0.00 176.83 176.85 1whv n LYS 492 N -4.40 -0.17 -0.07 4.77 4.76 0.79 -1.00 118.16 122.84 1whv n LYS 492 Ca 0.08 1.01 -0.14 0.00 -2.87 0.00 0.00 58.31 56.39 1whv n LYS 492 Cb 0.09 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.73 1whv n LYS 492 CO 0.00 0.00 0.00 0.10 -1.37 0.00 0.00 177.40 176.13 1whv h TYR 493 N 0.00 0.73 -0.31 2.13 -0.00 -1.68 -3.44 116.97 114.39 1whv h TYR 493 Ca 0.06 -0.24 -0.76 0.00 0.00 0.00 0.00 58.73 57.79 1whv h TYR 493 Cb 0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 36.73 36.72 1whv h TYR 493 CO -0.79 0.96 1.26 0.00 -0.00 0.00 0.00 178.16 179.59 1whv n ALA 494 N -2.49 0.18 0.00 0.10 0.00 -0.17 -4.81 120.51 113.33 1whv n ALA 494 Ca -0.05 0.19 -0.21 0.00 0.00 0.00 0.00 53.44 53.36 1whv n ALA 494 Cb 0.47 -2.14 -0.14 0.00 0.00 0.00 0.00 19.45 17.64 1whv n ALA 494 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1whv n GLU 495 N 7.19 0.75 -0.13 0.00 0.28 -1.26 -4.30 120.64 123.18 1whv n GLU 495 Ca 0.50 0.28 -0.04 0.00 -0.16 0.00 0.00 57.16 57.73 1whv n GLU 495 Cb 0.00 -1.71 0.02 0.00 1.43 0.00 0.00 31.44 31.18 1whv n GLU 495 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1whv h SER 496 N 0.02 -0.45 -3.36 -1.84 0.87 -1.96 -3.42 113.55 103.41 1whv h SER 496 Ca -0.42 0.14 -0.60 0.00 -1.23 0.00 0.00 61.79 59.67 1whv h SER 496 Cb 2.00 0.29 -0.18 0.00 -0.44 0.00 0.00 62.40 64.07 1whv h SER 496 CO 0.08 -0.16 -0.81 -0.72 -0.53 0.00 0.00 176.83 174.69 1whv s TYR 497 N -6.21 2.11 -0.07 2.24 -0.85 -1.26 -4.87 117.35 108.44 1whv s TYR 497 Ca -0.14 -0.40 0.03 0.00 -0.52 0.00 0.00 57.07 56.05 1whv s TYR 497 Cb 0.15 -1.05 0.00 0.00 0.38 0.00 0.00 41.96 41.44 1whv s TYR 497 CO 0.71 0.43 -0.18 0.50 -1.52 0.00 0.00 175.55 175.49 1whv s ARG 498 N -2.68 2.16 -0.04 -3.49 3.52 -1.23 -4.70 118.95 112.48 1whv s ARG 498 Ca 0.18 -0.63 0.06 0.00 -0.13 0.00 0.00 55.73 55.22 1whv s ARG 498 Cb -0.07 -1.74 -0.02 0.00 -1.56 0.00 0.00 34.95 31.56 1whv s ARG 498 CO 0.08 0.15 -0.22 0.42 -0.81 0.00 0.00 175.30 174.93 1whv s ILE 499 N 0.36 2.41 0.26 4.11 1.01 -1.26 -1.48 121.20 126.60 1whv s ILE 499 Ca -0.13 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 59.52 1whv s ILE 499 Cb -0.15 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 1whv s ILE 499 CO 0.05 0.58 0.32 -1.10 0.00 0.00 0.00 174.94 174.79 1whv s GLN 500 N -0.50 1.50 0.08 2.79 -0.21 -0.13 -4.89 119.66 118.30 1whv s GLN 500 Ca 0.06 -1.58 -0.14 0.00 0.02 0.00 0.00 55.36 53.73 1whv s GLN 500 Cb -0.11 0.37 -0.06 0.00 1.00 0.00 0.00 33.01 34.21 1whv s GLN 500 CO 0.01 -0.57 0.47 0.95 -2.12 0.00 0.00 175.29 174.03 1whv s THR 501 N -3.82 4.96 0.29 -0.19 -4.23 -1.26 0.16 115.64 111.55 1whv s THR 501 Ca 0.32 0.76 -0.00 0.00 -1.18 0.00 0.00 61.69 61.59 1whv s THR 501 Cb 0.03 -3.72 0.36 0.00 1.34 0.00 0.00 72.50 70.51 1whv s THR 501 CO 0.14 0.37 1.60 0.22 -0.54 0.00 0.00 174.62 176.42 1whv h TYR 502 N 3.99 0.02 -1.00 3.99 3.20 -1.71 0.78 116.97 126.24 1whv h TYR 502 Ca -0.50 0.06 0.15 0.00 3.14 0.00 0.00 58.73 61.59 1whv h TYR 502 Cb 1.20 0.14 -0.09 0.00 1.54 0.00 0.00 36.73 39.51 1whv h TYR 502 CO 0.67 -0.34 0.62 0.00 -1.64 0.00 0.00 178.16 177.47 1whv h ALA 503 N 1.88 1.57 -0.10 1.82 0.00 -1.89 0.95 119.26 123.48 1whv h ALA 503 Ca 0.54 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.49 1whv h ALA 503 Cb 1.08 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1whv h ALA 503 CO -0.81 0.10 0.01 0.93 0.00 0.00 0.00 179.25 179.48 1whv h GLU 504 N 0.89 0.18 0.75 0.00 4.39 0.17 0.22 114.58 121.18 1whv h GLU 504 Ca 0.53 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 60.14 1whv h GLU 504 Cb 0.66 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.30 1whv h GLU 504 CO -0.32 0.41 -0.36 -0.92 -1.16 0.00 0.00 179.01 176.66 1whv h TYR 505 N -0.08 -0.93 -0.91 4.33 3.20 -0.74 -2.29 116.97 119.55 1whv h TYR 505 Ca 0.03 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1whv h TYR 505 Cb 0.32 0.31 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 1whv h TYR 505 CO 0.03 -0.57 0.60 -0.39 -1.64 0.00 0.00 178.16 176.19 1whv h VAL 506 N -1.06 1.18 -0.50 1.81 -1.51 -0.91 -1.39 116.25 113.86 1whv h VAL 506 Ca -0.10 -0.41 0.08 0.00 -1.23 0.00 0.00 66.70 65.04 1whv h VAL 506 Cb 0.78 -0.10 -0.07 0.00 -2.13 0.00 0.00 31.29 29.77 1whv h VAL 506 CO 0.17 0.22 0.13 1.23 -1.23 0.00 0.00 177.57 178.08 1whv h GLY 507 N 1.18 0.63 0.50 5.19 0.00 -0.44 -0.42 103.07 109.72 1whv h GLY 507 Ca 0.35 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 1whv h GLY 507 CO -0.10 -0.05 -0.17 0.50 0.00 0.00 0.00 176.54 176.72 1whv h LYS 508 N 0.27 -0.45 -0.83 4.80 1.57 -1.05 -3.27 116.57 117.62 1whv h LYS 508 Ca 0.25 0.03 0.19 0.00 -1.87 0.00 0.00 60.65 59.25 1whv h LYS 508 Cb 0.32 0.10 -0.15 0.00 0.08 0.00 0.00 32.23 32.58 1whv h LYS 508 CO -0.30 -0.14 -0.07 -0.22 -0.57 0.00 0.00 179.45 178.14 1whv h LYS 509 N -0.97 0.05 -7.47 3.15 3.64 -1.15 -3.41 116.57 110.40 1whv h LYS 509 Ca -0.05 -0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.88 1whv h LYS 509 Cb 0.52 -0.01 0.15 0.00 -0.41 0.00 0.00 32.23 32.48 1whv h LYS 509 CO 0.08 0.03 0.26 -0.65 -2.27 0.00 0.00 179.45 176.89 1whv s GLN 510 N -6.15 0.52 -0.16 1.90 -0.21 -0.18 -5.03 119.66 110.35 1whv s GLN 510 Ca -0.14 0.22 -0.07 0.00 0.02 0.00 0.00 55.36 55.40 1whv s GLN 510 Cb 0.24 -1.77 0.07 0.00 1.00 0.00 0.00 33.01 32.55 1whv s GLN 510 CO 0.76 -2.61 0.36 0.15 -2.12 0.00 0.00 175.29 171.83 1whv s LYS 511 N -5.27 0.28 0.00 2.91 1.02 -1.26 -4.76 119.74 112.65 1whv s LYS 511 Ca 0.66 0.85 0.00 0.00 0.02 0.00 0.00 55.97 57.50 1whv s LYS 511 Cb -0.14 0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.28 1whv s LYS 511 CO 0.55 -0.23 0.00 0.41 -0.92 0.00 0.00 175.35 175.16 1whv n GLY 512 N 5.02 -3.31 2.25 -3.33 0.00 -1.26 -4.93 105.19 99.63 1whv n GLY 512 Ca -0.13 -0.91 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 1whv n GLY 512 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1whv n LYS 513 N 0.00 3.23 -3.57 1.61 4.81 -1.26 -5.03 118.16 117.95 1whv n LYS 513 Ca 0.00 -4.12 -0.15 0.00 -0.87 0.00 0.00 58.31 53.18 1whv n LYS 513 Cb 0.00 -2.14 -0.06 0.00 0.02 0.00 0.00 35.03 32.85 1whv n LYS 513 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1whv s GLN 514 N -3.59 0.85 0.36 1.64 0.74 -1.26 -5.16 119.66 113.24 1whv s GLN 514 Ca 0.46 0.47 -0.26 0.00 0.05 0.00 0.00 55.36 56.08 1whv s GLN 514 Cb 0.40 0.41 -0.09 0.00 1.10 0.00 0.00 33.01 34.82 1whv s GLN 514 CO -0.02 -0.21 1.05 0.54 -0.55 0.00 0.00 175.29 176.10 1whv s VAL 515 N -0.61 3.70 0.15 1.34 0.11 -1.26 -4.95 120.40 118.88 1whv s VAL 515 Ca -0.05 1.42 -0.33 0.00 -2.93 0.00 0.00 61.98 60.09 1whv s VAL 515 Cb -0.02 -3.79 -0.17 0.00 -1.53 0.00 0.00 36.38 30.87 1whv s VAL 515 CO 0.04 0.12 0.97 0.29 -3.33 0.00 0.00 175.10 173.19 1whv n LYS 516 N 0.33 0.61 -3.62 1.54 4.76 -1.26 -4.97 118.16 115.54 1whv n LYS 516 Ca 0.03 0.22 -0.14 0.00 -2.87 0.00 0.00 58.31 55.54 1whv n LYS 516 Cb 0.48 -1.58 -0.07 0.00 -1.84 0.00 0.00 35.03 32.03 1whv n LYS 516 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1whv s SER 517 N -0.29 -0.74 0.00 4.39 0.15 -1.26 -5.10 113.70 110.85 1whv s SER 517 Ca 0.74 1.38 0.00 0.00 0.70 0.00 0.00 55.95 58.77 1whv s SER 517 Cb -0.96 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1whv s SER 517 CO 0.55 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.32 1whv n GLY 518 N 2.53 0.92 3.77 9.45 0.00 -1.26 -5.13 105.19 115.47 1whv n GLY 518 Ca -0.14 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 1whv n GLY 518 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whv s PRO 519 N 0.00 3.85 -0.13 1.61 0.04 -1.26 -5.05 135.00 134.07 1whv s PRO 519 Ca 0.00 1.81 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 1whv s PRO 519 Cb 0.00 -2.50 0.05 0.00 0.04 0.00 0.00 34.50 32.09 1whv s PRO 519 CO 0.00 -0.48 0.09 -1.12 0.04 0.00 0.00 177.00 175.53 1whv s SER 520 N -1.26 1.85 0.18 6.66 0.01 -1.26 -5.15 113.70 114.74 1whv s SER 520 Ca 0.61 -0.34 0.10 0.00 1.31 0.00 0.00 55.95 57.63 1whv s SER 520 Cb -0.30 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.73 1whv s SER 520 CO 0.37 -0.31 -0.21 -0.44 0.41 0.00 0.00 173.24 173.06 1whv s SER 521 N 2.16 3.03 0.00 2.44 0.01 -1.26 -5.35 113.70 114.73 1whv s SER 521 Ca 0.03 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.42 1whv s SER 521 Cb -0.15 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.88 1whv s SER 521 CO -0.07 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.22