#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w1h n ILE 412 N 0.00 0.00 0.30 -1.44 -5.35 -1.26 -4.51 119.36 107.10 1w1h n ILE 412 Ca 0.00 -0.24 0.18 0.00 -0.27 0.00 0.00 62.75 62.42 1w1h n ILE 412 Cb 0.00 0.36 0.91 0.00 -1.74 0.00 0.00 39.64 39.17 1w1h n ILE 412 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1w1h h GLU 413 N 0.00 0.00 0.00 6.28 4.39 -2.02 -1.30 114.58 121.93 1w1h h GLU 413 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1w1h h GLU 413 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1w1h h GLU 413 CO 0.00 0.00 0.00 -0.56 -1.16 0.00 0.00 179.01 177.29 1w1h h GLN 414 N 0.00 0.00 -0.04 2.33 3.07 -2.04 -2.10 115.11 116.33 1w1h h GLN 414 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1w1h h GLN 414 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.73 1w1h h GLN 414 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 1w1h n TYR 415 N -2.83 0.01 -4.10 0.06 4.01 -0.49 -4.90 117.16 108.92 1w1h n TYR 415 Ca -0.01 -0.01 -0.34 0.00 -0.16 0.00 0.00 57.90 57.38 1w1h n TYR 415 Cb 0.17 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.06 1w1h n TYR 415 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1w1h s ILE 416 N -1.99 3.25 -0.28 -0.72 1.01 -0.79 -0.47 121.20 121.21 1w1h s ILE 416 Ca 0.31 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 1w1h s ILE 416 Cb 0.20 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 40.25 1w1h s ILE 416 CO 0.31 0.45 0.02 -2.28 0.00 0.00 0.00 174.94 173.44 1w1h s HIS 417 N 1.21 3.14 -0.47 3.97 5.65 0.31 -5.00 115.29 124.10 1w1h s HIS 417 Ca 0.02 -1.34 -0.21 0.00 0.25 0.00 0.00 55.06 53.78 1w1h s HIS 417 Cb -0.14 -2.17 0.03 0.00 -1.18 0.00 0.00 32.58 29.12 1w1h s HIS 417 CO -0.02 -0.67 0.71 -0.51 -0.65 0.00 0.00 174.74 173.59 1w1h s ASP 418 N 1.40 6.32 0.23 9.88 1.01 -1.26 -0.91 116.67 133.33 1w1h s ASP 418 Ca 0.00 -0.41 -0.01 0.00 0.71 0.00 0.00 52.55 52.85 1w1h s ASP 418 Cb -0.18 -2.34 0.24 0.00 1.01 0.00 0.00 42.92 41.66 1w1h s ASP 418 CO -0.00 -0.89 1.61 -0.07 0.21 0.00 0.00 175.17 176.03 1w1h h LEU 419 N 9.95 0.57 -7.74 1.23 4.07 -1.32 -3.48 115.31 118.58 1w1h h LEU 419 Ca -0.26 -0.25 0.28 0.00 0.08 0.00 0.00 57.88 57.74 1w1h h LEU 419 Cb 1.09 -0.16 -0.07 0.00 1.08 0.00 0.00 40.66 42.60 1w1h h LEU 419 CO 0.95 0.90 0.77 -0.62 -1.08 0.00 0.00 178.44 179.35 1w1h s ASP 420 N -6.85 -0.02 0.26 -0.43 -1.08 -1.06 -5.03 116.67 102.44 1w1h s ASP 420 Ca -0.07 -0.32 -0.30 0.00 -0.52 0.00 0.00 52.55 51.34 1w1h s ASP 420 Cb 0.13 0.27 -0.14 0.00 -1.46 0.00 0.00 42.92 41.71 1w1h s ASP 420 CO 0.82 -0.52 1.19 -1.20 0.52 0.00 0.00 175.17 175.97 1w1h n SER 421 N -0.91 1.90 -0.67 -0.34 7.64 -1.26 -2.01 113.62 117.96 1w1h n SER 421 Ca -0.02 1.17 -0.09 0.00 1.01 0.00 0.00 58.87 60.94 1w1h n SER 421 Cb 0.60 -1.34 -0.04 0.00 -1.01 0.00 0.00 64.21 62.43 1w1h n SER 421 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1w1h n ASN 422 N 1.56 -5.01 -3.49 6.43 5.15 -1.26 -4.93 115.26 113.71 1w1h n ASN 422 Ca 0.11 0.22 -0.20 0.00 -0.60 0.00 0.00 54.58 54.10 1w1h n ASN 422 Cb 0.31 -3.28 -0.13 0.00 -0.53 0.00 0.00 39.78 36.15 1w1h n ASN 422 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1w1h s SER 423 N -2.48 1.84 0.13 1.20 0.15 -0.85 -4.09 113.70 109.61 1w1h s SER 423 Ca 0.00 -0.52 -0.06 0.00 0.70 0.00 0.00 55.95 56.07 1w1h s SER 423 Cb 0.00 0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.53 1w1h s SER 423 CO 0.00 -0.36 0.17 0.72 1.20 0.00 0.00 173.24 174.97 1w1h s PHE 424 N 2.28 0.50 0.05 3.44 -0.12 -0.79 -0.79 117.98 122.55 1w1h s PHE 424 Ca 0.07 -0.90 0.00 0.00 -0.05 0.00 0.00 56.93 56.05 1w1h s PHE 424 Cb -0.15 -0.22 -0.03 0.00 -0.63 0.00 0.00 43.02 41.99 1w1h s PHE 424 CO -0.19 -0.59 -0.04 -1.83 -0.05 0.00 0.00 175.22 172.51 1w1h s GLU 425 N -3.97 0.53 -0.01 1.99 -1.05 -0.09 -1.50 118.70 114.60 1w1h s GLU 425 Ca 0.16 -0.98 -0.01 0.00 -0.15 0.00 0.00 54.97 54.00 1w1h s GLU 425 Cb 0.05 0.06 -0.04 0.00 -0.44 0.00 0.00 34.13 33.77 1w1h s GLU 425 CO -0.03 -0.06 0.07 -0.51 0.95 0.00 0.00 175.26 175.69 1w1h s LEU 426 N -2.29 3.86 -0.06 1.83 1.43 0.30 -0.53 118.68 123.21 1w1h s LEU 426 Ca -0.02 0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.92 1w1h s LEU 426 Cb -0.01 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 1w1h s LEU 426 CO -0.05 0.28 1.20 -0.62 0.23 0.00 0.00 176.35 177.40 1w1h s ASP 427 N -1.64 7.05 -1.00 2.29 2.15 0.38 -4.93 116.67 120.97 1w1h s ASP 427 Ca 0.22 1.80 -0.05 0.00 0.43 0.00 0.00 52.55 54.95 1w1h s ASP 427 Cb -0.12 -2.56 0.06 0.00 -0.30 0.00 0.00 42.92 40.01 1w1h s ASP 427 CO 0.12 -0.59 2.63 0.18 -0.17 0.00 0.00 175.17 177.34 1w1h n LEU 428 N 5.28 7.46 -2.64 -1.34 4.77 -1.26 -4.27 117.00 124.99 1w1h n LEU 428 Ca 0.11 -4.50 -0.09 0.00 -0.03 0.00 0.00 56.01 51.51 1w1h n LEU 428 Cb 0.46 -1.34 0.03 0.00 -2.33 0.00 0.00 43.42 40.25 1w1h n LEU 428 CO 0.55 1.94 -0.01 0.00 -1.33 0.00 0.00 177.39 178.54 1w1h n GLN 429 N 1.64 1.91 -4.03 3.23 10.64 -1.26 -5.10 117.38 124.41 1w1h n GLN 429 Ca 0.58 -3.60 -0.26 0.00 -1.83 0.00 0.00 57.00 51.90 1w1h n GLN 429 Cb 0.38 -1.62 -0.04 0.00 -0.86 0.00 0.00 30.24 28.10 1w1h n GLN 429 CO 0.00 0.00 0.00 -0.59 -1.83 0.00 0.00 177.06 174.64 1w1h s PHE 430 N -3.50 3.28 0.88 2.61 -0.12 -1.26 -5.11 117.98 114.75 1w1h s PHE 430 Ca 0.32 0.03 -0.12 0.00 -0.05 0.00 0.00 56.93 57.11 1w1h s PHE 430 Cb 0.39 -1.57 0.16 0.00 -0.63 0.00 0.00 43.02 41.37 1w1h s PHE 430 CO -0.02 0.52 1.22 -1.54 -0.05 0.00 0.00 175.22 175.35 1w1h s SER 431 N -3.19 3.67 0.20 1.98 1.04 -1.26 -4.83 113.70 111.31 1w1h s SER 431 Ca 0.32 0.26 -0.09 0.00 0.48 0.00 0.00 55.95 56.92 1w1h s SER 431 Cb -0.10 -0.47 0.12 0.00 0.10 0.00 0.00 66.02 65.66 1w1h s SER 431 CO 0.25 -2.37 1.75 -0.33 0.98 0.00 0.00 173.24 173.53 1w1h h GLU 432 N -1.28 1.07 -0.55 4.02 4.39 -1.99 0.34 114.58 120.58 1w1h h GLU 432 Ca -0.43 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.04 1w1h h GLU 432 Cb 1.26 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 1w1h h GLU 432 CO 0.44 0.89 0.24 -0.44 -1.16 0.00 0.00 179.01 178.99 1w1h h ASP 433 N 1.03 0.73 -0.63 1.42 3.32 -2.00 -1.57 116.42 118.72 1w1h h ASP 433 Ca 0.24 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1w1h h ASP 433 Cb 0.22 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1w1h h ASP 433 CO -0.02 0.68 0.12 -0.33 -1.72 0.00 0.00 179.24 177.97 1w1h h GLU 434 N 0.74 1.03 -0.56 3.56 5.08 -1.86 -2.81 114.58 119.75 1w1h h GLU 434 Ca 0.18 -0.27 0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1w1h h GLU 434 Cb 0.16 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 1w1h h GLU 434 CO -0.02 0.95 0.23 -0.22 -1.00 0.00 0.00 179.01 178.95 1w1h h LYS 435 N 0.94 0.41 -0.50 2.33 3.64 -0.09 -0.45 116.57 122.85 1w1h h LYS 435 Ca 0.19 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.63 1w1h h LYS 435 Cb 0.41 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.07 1w1h h LYS 435 CO 0.01 0.27 0.12 -0.09 -2.27 0.00 0.00 179.45 177.49 1w1h h ARG 436 N 0.42 0.26 -0.48 1.90 2.43 -1.07 0.21 114.38 118.04 1w1h h ARG 436 Ca 0.27 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.35 1w1h h ARG 436 Cb 0.29 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1w1h h ARG 436 CO -0.26 0.17 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.29 1w1h h LEU 437 N 0.26 0.78 -0.69 3.80 3.38 -1.19 -0.77 115.31 120.88 1w1h h LEU 437 Ca 0.25 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1w1h h LEU 437 Cb 0.33 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1w1h h LEU 437 CO -0.31 0.85 -0.18 -0.07 0.09 0.00 0.00 178.44 178.81 1w1h h LEU 438 N 0.75 0.83 -0.83 1.67 3.38 -0.47 -1.58 115.31 119.06 1w1h h LEU 438 Ca 0.14 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 1w1h h LEU 438 Cb 0.47 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1w1h h LEU 438 CO 0.02 1.00 -0.25 -0.07 0.09 0.00 0.00 178.44 179.24 1w1h h LEU 439 N 0.72 0.60 -0.52 1.67 3.38 -0.20 -1.46 115.31 119.51 1w1h h LEU 439 Ca 0.11 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1w1h h LEU 439 Cb 0.70 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1w1h h LEU 439 CO 0.05 0.84 0.26 -0.33 0.09 0.00 0.00 178.44 179.35 1w1h h GLU 440 N 0.52 0.74 -0.64 1.13 5.08 -0.92 -0.13 114.58 120.36 1w1h h GLU 440 Ca 0.07 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1w1h h GLU 440 Cb 0.70 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1w1h h GLU 440 CO 0.05 0.60 0.42 -0.22 -1.00 0.00 0.00 179.01 178.86 1w1h h LYS 441 N 0.69 0.83 0.31 2.33 3.64 -1.15 -0.89 116.57 122.32 1w1h h LYS 441 Ca 0.18 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1w1h h LYS 441 Cb 0.10 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1w1h h LYS 441 CO -0.02 0.55 -0.15 0.37 -2.27 0.00 0.00 179.45 177.93 1w1h h GLN 442 N 0.85 -0.40 -0.74 1.90 4.15 -1.00 -1.54 115.11 118.33 1w1h h GLN 442 Ca 0.24 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.73 1w1h h GLN 442 Cb -0.08 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 1w1h h GLN 442 CO -0.06 -0.19 0.49 0.00 -1.93 0.00 0.00 178.83 177.14 1w1h h ALA 443 N 0.14 1.61 -0.02 3.38 0.00 -0.91 0.31 119.26 123.77 1w1h h ALA 443 Ca -0.04 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1w1h h ALA 443 Cb 0.39 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1w1h h ALA 443 CO 0.07 0.30 -0.76 0.78 0.00 0.00 0.00 179.25 179.63 1w1h h GLY 444 N 0.86 0.17 0.00 0.00 0.00 -1.01 -3.41 103.07 99.69 1w1h h GLY 444 Ca 0.31 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1w1h h GLY 444 CO -0.10 0.24 0.00 0.61 0.00 0.00 0.00 176.54 177.30 1w1h n GLY 445 N 0.63 0.88 3.58 4.60 0.00 -0.59 -5.04 105.19 109.25 1w1h n GLY 445 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1w1h n GLY 445 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1w1h s ASN 446 N -0.20 6.41 0.00 1.61 3.84 0.08 -4.92 114.94 121.76 1w1h s ASN 446 Ca 0.00 0.25 0.11 0.00 0.21 0.00 0.00 52.86 53.43 1w1h s ASN 446 Cb 0.00 -2.30 0.48 0.00 -0.55 0.00 0.00 41.25 38.88 1w1h s ASN 446 CO 0.00 -0.46 1.35 -0.81 -2.79 0.00 0.00 177.10 174.39 1w1h n PRO 447 N 5.79 0.01 0.00 0.43 -0.04 -1.26 -1.64 135.00 138.28 1w1h n PRO 447 Ca -0.03 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.85 1w1h n PRO 447 Cb 0.49 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.58 1w1h n PRO 447 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1w1h n TRP 448 N -1.49 0.00 -0.35 0.54 7.02 -1.26 -4.53 117.44 117.37 1w1h n TRP 448 Ca 0.03 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.64 1w1h n TRP 448 Cb 0.13 -0.01 0.33 0.00 -2.42 0.00 0.00 31.31 29.33 1w1h n TRP 448 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1w1h h HIS 449 N 3.31 1.05 0.00 -5.99 2.76 -1.60 -1.72 115.15 112.97 1w1h h HIS 449 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1w1h h HIS 449 Cb 0.81 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.46 1w1h h HIS 449 CO 0.00 0.21 0.00 -0.56 -1.30 0.00 0.00 177.93 176.28 1w1h h GLN 450 N 0.73 0.00 -0.02 5.26 3.07 -1.83 -2.80 115.11 119.52 1w1h h GLN 450 Ca 0.59 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.33 1w1h h GLN 450 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.50 1w1h h GLN 450 CO -0.40 0.00 -0.26 1.19 0.09 0.00 0.00 178.83 179.45 1w1h n PHE 451 N -2.43 0.00 -1.28 0.06 3.72 -0.64 -4.50 117.46 112.38 1w1h n PHE 451 Ca -0.01 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.45 1w1h n PHE 451 Cb 0.10 -0.02 0.19 0.00 -0.94 0.00 0.00 39.48 38.81 1w1h n PHE 451 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1w1h n VAL 452 N 0.31 2.18 -4.00 -4.37 0.24 -1.06 -4.97 118.33 106.65 1w1h n VAL 452 Ca 0.12 -2.58 -0.31 0.00 -2.04 0.00 0.00 64.34 59.53 1w1h n VAL 452 Cb 0.48 -0.26 0.01 0.00 -1.47 0.00 0.00 33.84 32.60 1w1h n VAL 452 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1w1h n GLU 453 N -1.13 -4.76 -0.89 7.34 1.02 -1.26 -1.20 120.64 119.75 1w1h n GLU 453 Ca 0.21 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 1w1h n GLU 453 Cb 0.77 -5.33 0.00 0.00 -0.02 0.00 0.00 31.44 26.86 1w1h n GLU 453 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1w1h n ASN 454 N -2.80 -3.69 -4.79 1.62 5.03 -1.26 -4.97 115.26 104.39 1w1h n ASN 454 Ca 0.03 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.13 1w1h n ASN 454 Cb 0.53 -2.44 -0.04 0.00 -1.02 0.00 0.00 39.78 36.81 1w1h n ASN 454 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1w1h s ASN 455 N -2.08 6.61 -0.01 6.41 0.01 -0.34 -5.00 114.94 120.55 1w1h s ASN 455 Ca 0.00 1.93 -0.30 0.00 -0.71 0.00 0.00 52.86 53.78 1w1h s ASN 455 Cb 0.00 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 39.04 1w1h s ASN 455 CO 0.00 -0.59 1.40 -0.22 -1.51 0.00 0.00 177.10 176.18 1w1h s LEU 456 N -3.09 4.31 -0.16 0.60 2.96 -1.26 -4.80 118.68 117.24 1w1h s LEU 456 Ca 0.63 2.10 -0.29 0.00 -0.22 0.00 0.00 54.13 56.34 1w1h s LEU 456 Cb -0.17 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 1w1h s LEU 456 CO 0.22 -0.72 1.12 -0.63 -1.32 0.00 0.00 176.35 175.02 1w1h s ILE 457 N 2.46 4.52 -0.14 6.68 1.01 -1.26 -0.71 121.20 133.76 1w1h s ILE 457 Ca 0.64 1.82 0.12 0.00 0.00 0.00 0.00 60.65 63.23 1w1h s ILE 457 Cb -0.31 -4.18 -0.24 0.00 0.01 0.00 0.00 42.46 37.75 1w1h s ILE 457 CO 0.26 -0.11 0.30 0.18 0.00 0.00 0.00 174.94 175.58 1w1h n LEU 458 N 6.02 0.87 -3.69 2.97 4.77 0.10 -4.79 117.00 123.25 1w1h n LEU 458 Ca 0.12 0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 56.14 1w1h n LEU 458 Cb 0.46 0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.55 1w1h n LEU 458 CO 0.54 0.53 0.24 -0.75 -1.33 0.00 0.00 177.39 176.61 1w1h s LYS 459 N -2.54 0.64 0.02 3.23 2.20 -0.84 -0.54 119.74 121.91 1w1h s LYS 459 Ca -0.11 0.78 -0.08 0.00 -0.36 0.00 0.00 55.97 56.19 1w1h s LYS 459 Cb 0.07 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 1w1h s LYS 459 CO 0.80 -0.08 0.17 0.00 -0.36 0.00 0.00 175.35 175.88 1w1h s MET 460 N 0.34 0.60 -0.09 4.03 0.23 -0.56 -0.54 119.30 123.31 1w1h s MET 460 Ca -0.00 -0.55 -0.33 0.00 -1.03 0.00 0.00 55.69 53.78 1w1h s MET 460 Cb -0.04 0.25 0.15 0.00 -1.53 0.00 0.00 34.83 33.66 1w1h s MET 460 CO 0.00 -0.16 1.44 0.20 -2.03 0.00 0.00 175.02 174.47 1w1h s GLY 461 N -1.81 -0.50 0.32 3.16 0.00 -0.71 -1.88 107.32 105.90 1w1h s GLY 461 Ca -0.09 0.96 -0.27 0.00 0.00 0.00 0.00 44.72 45.32 1w1h s GLY 461 CO -0.02 0.18 1.01 2.56 0.00 0.00 0.00 173.10 176.83 1w1h s PRO 462 N -2.03 4.51 0.11 2.90 0.04 -1.26 -0.90 135.00 138.36 1w1h s PRO 462 Ca 0.15 1.52 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 1w1h s PRO 462 Cb 0.08 -2.89 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 1w1h s PRO 462 CO -0.07 0.17 0.01 0.14 0.04 0.00 0.00 177.00 177.30 1w1h s VAL 463 N -1.46 0.24 -0.29 -0.36 -7.23 -0.01 -4.90 120.40 106.40 1w1h s VAL 463 Ca 0.50 -1.89 -0.05 0.00 -1.81 0.00 0.00 61.98 58.73 1w1h s VAL 463 Cb -0.24 -1.85 0.03 0.00 0.56 0.00 0.00 36.38 34.87 1w1h s VAL 463 CO 0.30 -0.67 0.04 -1.81 -0.31 0.00 0.00 175.10 172.64 1w1h s ASP 464 N -3.02 4.91 -0.26 4.85 1.01 0.05 -0.75 116.67 123.46 1w1h s ASP 464 Ca 0.18 -0.92 -0.15 0.00 0.71 0.00 0.00 52.55 52.37 1w1h s ASP 464 Cb 0.07 -1.80 -0.04 0.00 1.01 0.00 0.00 42.92 42.17 1w1h s ASP 464 CO -0.02 -0.21 0.38 -0.75 0.21 0.00 0.00 175.17 174.78 1w1h s LYS 465 N 1.40 4.03 0.30 8.23 2.20 -0.03 -0.49 119.74 135.37 1w1h s LYS 465 Ca -0.00 0.07 -0.29 0.00 -0.36 0.00 0.00 55.97 55.39 1w1h s LYS 465 Cb -0.18 -3.65 -0.10 0.00 -1.51 0.00 0.00 37.83 32.39 1w1h s LYS 465 CO 0.00 -0.26 1.44 1.03 -0.36 0.00 0.00 175.35 177.19 1w1h s ARG 466 N 2.03 4.24 -0.28 4.03 0.52 -0.53 -0.68 118.95 128.28 1w1h s ARG 466 Ca 0.16 2.37 -0.22 0.00 -0.52 0.00 0.00 55.73 57.51 1w1h s ARG 466 Cb -0.16 -3.06 0.12 0.00 0.52 0.00 0.00 34.95 32.37 1w1h s ARG 466 CO 0.10 -0.41 0.95 0.21 0.02 0.00 0.00 175.30 176.16 1w1h s LYS 467 N -1.04 0.53 5.05 3.54 2.20 -1.26 -4.79 119.74 123.97 1w1h s LYS 467 Ca 0.56 0.72 0.00 0.00 -0.36 0.00 0.00 55.97 56.89 1w1h s LYS 467 Cb -0.43 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.10 1w1h s LYS 467 CO 0.50 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.82 1w1h n GLY 468 N 2.85 2.93 0.12 5.54 0.00 -1.26 -2.52 105.19 112.85 1w1h n GLY 468 Ca -0.15 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.78 1w1h n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1w1h h LEU 469 N 0.00 0.00 -7.50 0.99 3.38 -2.01 -3.47 115.31 106.70 1w1h h LEU 469 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 1w1h h LEU 469 Cb 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.43 1w1h h LEU 469 CO 0.00 0.04 -0.66 -0.36 0.09 0.00 0.00 178.44 177.55 1w1h s PHE 470 N -3.33 -0.07 0.79 1.13 0.08 -1.05 -5.14 117.98 110.39 1w1h s PHE 470 Ca -0.00 0.29 -0.13 0.00 0.12 0.00 0.00 56.93 57.20 1w1h s PHE 470 Cb 0.09 -0.14 0.07 0.00 -0.57 0.00 0.00 43.02 42.48 1w1h s PHE 470 CO 0.79 -0.12 1.18 0.00 -0.10 0.00 0.00 175.22 176.97 1w1h s ALA 471 N 0.98 1.94 -0.16 5.36 0.00 -1.26 -4.18 121.76 124.44 1w1h s ALA 471 Ca -0.08 0.73 -0.04 0.00 0.00 0.00 0.00 51.96 52.57 1w1h s ALA 471 Cb -0.11 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1w1h s ALA 471 CO -0.04 -2.13 -0.04 1.03 0.00 0.00 0.00 175.76 174.59 1w1h s ARG 472 N -4.23 3.66 0.16 0.00 3.00 0.15 -4.85 118.95 116.83 1w1h s ARG 472 Ca 0.71 -0.52 -0.31 0.00 0.00 0.00 0.00 55.73 55.60 1w1h s ARG 472 Cb -0.26 -2.93 -0.09 0.00 0.00 0.00 0.00 34.95 31.67 1w1h s ARG 472 CO 0.50 0.21 1.46 0.50 0.00 0.00 0.00 175.30 177.97 1w1h s ARG 473 N 0.44 4.28 0.04 3.54 6.06 -1.26 -0.85 118.95 131.19 1w1h s ARG 473 Ca -0.04 2.21 0.01 0.00 -2.50 0.00 0.00 55.73 55.42 1w1h s ARG 473 Cb -0.14 -3.19 -0.03 0.00 0.06 0.00 0.00 34.95 31.65 1w1h s ARG 473 CO 0.03 -0.49 -0.05 1.03 -2.50 0.00 0.00 175.30 173.32 1w1h s ARG 474 N 0.82 0.48 -0.22 5.12 1.81 0.07 -4.44 118.95 122.58 1w1h s ARG 474 Ca 0.65 -0.83 -0.19 0.00 -1.72 0.00 0.00 55.73 53.64 1w1h s ARG 474 Cb -0.40 -0.04 -0.03 0.00 -0.45 0.00 0.00 34.95 34.03 1w1h s ARG 474 CO 0.33 -0.02 0.56 -1.14 -0.68 0.00 0.00 175.30 174.35 1w1h s GLN 475 N -2.12 4.15 -0.14 3.54 2.00 -0.15 -0.83 119.66 126.11 1w1h s GLN 475 Ca -0.08 0.46 -0.06 0.00 -2.00 0.00 0.00 55.36 53.68 1w1h s GLN 475 Cb -0.06 -3.60 -0.04 0.00 0.80 0.00 0.00 33.01 30.11 1w1h s GLN 475 CO -0.02 -0.26 0.06 -1.17 -0.50 0.00 0.00 175.29 173.40 1w1h s LEU 476 N 2.01 3.89 -0.16 3.68 2.96 -0.08 -1.40 118.68 129.58 1w1h s LEU 476 Ca 0.25 0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 54.32 1w1h s LEU 476 Cb -0.16 -1.95 0.05 0.00 0.50 0.00 0.00 46.19 44.63 1w1h s LEU 476 CO 0.09 0.28 0.00 -0.76 -1.32 0.00 0.00 176.35 174.64 1w1h s LEU 477 N -0.24 1.22 -0.23 -0.68 1.02 -0.33 -1.75 118.68 117.69 1w1h s LEU 477 Ca 0.08 -0.63 -0.19 0.00 0.02 0.00 0.00 54.13 53.41 1w1h s LEU 477 Cb -0.12 -0.67 -0.03 0.00 0.02 0.00 0.00 46.19 45.39 1w1h s LEU 477 CO 0.01 -0.25 0.54 -0.22 0.02 0.00 0.00 176.35 176.46 1w1h s LEU 478 N 1.80 4.10 0.27 1.79 2.96 0.30 -0.88 118.68 129.02 1w1h s LEU 478 Ca 0.01 0.63 0.03 0.00 -0.22 0.00 0.00 54.13 54.57 1w1h s LEU 478 Cb -0.16 -2.72 -0.06 0.00 0.50 0.00 0.00 46.19 43.76 1w1h s LEU 478 CO -0.07 -0.25 0.05 0.42 -1.32 0.00 0.00 176.35 175.18 1w1h s THR 479 N 2.03 0.90 0.43 3.68 -4.23 -0.06 0.00 115.64 118.39 1w1h s THR 479 Ca 0.23 -2.01 -0.21 0.00 -1.18 0.00 0.00 61.69 58.53 1w1h s THR 479 Cb -0.16 -2.60 -0.14 0.00 1.34 0.00 0.00 72.50 70.95 1w1h s THR 479 CO 0.09 -0.10 0.22 1.21 -0.54 0.00 0.00 174.62 175.50 1w1h n GLU 480 N -0.52 0.19 0.00 3.99 2.13 0.11 -2.00 120.64 124.53 1w1h n GLU 480 Ca -0.02 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1w1h n GLU 480 Cb 0.66 -1.19 0.00 0.00 0.27 0.00 0.00 31.44 31.18 1w1h n GLU 480 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1w1h n GLY 481 N 2.17 2.07 3.90 8.31 0.00 -1.26 -3.44 105.19 116.93 1w1h n GLY 481 Ca 0.11 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 1w1h n GLY 481 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1w1h s PRO 482 N 0.00 3.26 0.08 1.61 0.04 -1.26 -5.17 135.00 133.55 1w1h s PRO 482 Ca 0.00 0.28 0.03 0.00 0.04 0.00 0.00 61.00 61.34 1w1h s PRO 482 Cb 0.00 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 1w1h s PRO 482 CO 0.00 -0.55 -0.08 -1.01 0.04 0.00 0.00 177.00 175.39 1w1h s HIS 483 N -3.00 0.89 -0.31 0.56 3.76 -0.85 -4.78 115.29 111.57 1w1h s HIS 483 Ca 0.52 -0.68 0.01 0.00 -0.15 0.00 0.00 55.06 54.76 1w1h s HIS 483 Cb -0.11 -0.51 0.09 0.00 1.11 0.00 0.00 32.58 33.17 1w1h s HIS 483 CO 0.48 -0.07 0.06 -0.51 -0.85 0.00 0.00 174.74 173.85 1w1h s LEU 484 N -2.35 2.98 0.10 0.89 1.43 -1.25 -0.88 118.68 119.60 1w1h s LEU 484 Ca 0.03 -1.71 -0.06 0.00 -1.03 0.00 0.00 54.13 51.36 1w1h s LEU 484 Cb -0.03 -1.12 -0.05 0.00 0.03 0.00 0.00 46.19 45.02 1w1h s LEU 484 CO -0.01 -0.38 0.35 -0.31 0.23 0.00 0.00 176.35 176.23 1w1h s TYR 485 N 1.39 3.52 -0.04 0.29 2.02 -0.06 -0.69 117.35 123.77 1w1h s TYR 485 Ca 0.08 0.59 0.03 0.00 -0.37 0.00 0.00 57.07 57.39 1w1h s TYR 485 Cb -0.18 -2.02 0.01 0.00 -0.40 0.00 0.00 41.96 39.37 1w1h s TYR 485 CO -0.17 0.49 -0.10 1.52 -1.57 0.00 0.00 175.55 175.72 1w1h s TYR 486 N -1.53 1.14 -0.02 2.71 1.13 0.06 -1.19 117.35 119.64 1w1h s TYR 486 Ca 0.37 -0.33 0.06 0.00 -1.41 0.00 0.00 57.07 55.75 1w1h s TYR 486 Cb -0.13 -0.83 -0.01 0.00 -1.10 0.00 0.00 41.96 39.90 1w1h s TYR 486 CO 0.22 -0.16 -0.19 0.08 -2.51 0.00 0.00 175.55 172.99 1w1h s VAL 487 N 0.36 1.54 -0.40 -3.49 1.01 -0.50 -1.31 120.40 117.61 1w1h s VAL 487 Ca -0.07 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 1w1h s VAL 487 Cb -0.11 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 34.99 1w1h s VAL 487 CO 0.01 0.44 1.23 -0.62 0.00 0.00 0.00 175.10 176.16 1w1h s ASP 488 N -0.31 6.61 0.54 3.32 2.15 -0.00 -0.97 116.67 128.01 1w1h s ASP 488 Ca 0.04 0.78 0.34 0.00 0.43 0.00 0.00 52.55 54.14 1w1h s ASP 488 Cb -0.09 -2.54 1.41 0.00 -0.30 0.00 0.00 42.92 41.40 1w1h s ASP 488 CO 0.00 -1.21 1.99 1.55 -0.17 0.00 0.00 175.17 177.34 1w1h h PRO 489 N 9.43 0.00 0.00 4.34 0.13 -1.88 -0.11 132.00 143.90 1w1h h PRO 489 Ca -0.24 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.73 1w1h h PRO 489 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1w1h h PRO 489 CO 1.09 0.00 -0.93 0.28 -0.23 0.00 0.00 178.00 178.20 1w1h h VAL 490 N 0.00 0.94 -0.00 1.56 2.07 -1.92 -3.35 116.25 115.55 1w1h h VAL 490 Ca 0.00 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.47 1w1h h VAL 490 Cb 0.47 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1w1h h VAL 490 CO 0.00 0.32 -0.05 0.59 0.02 0.00 0.00 177.57 178.45 1w1h n ASN 491 N -4.49 0.25 -3.72 0.57 4.13 -1.25 -4.98 115.26 105.77 1w1h n ASN 491 Ca -0.25 -0.54 -0.27 0.00 1.68 0.00 0.00 54.58 55.20 1w1h n ASN 491 Cb 0.58 -0.13 0.03 0.00 -1.54 0.00 0.00 39.78 38.72 1w1h n ASN 491 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1w1h n LYS 492 N -1.03 -2.66 -4.20 3.52 5.02 -0.07 -5.00 118.16 113.74 1w1h n LYS 492 Ca 0.16 0.51 -0.17 0.00 -2.02 0.00 0.00 58.31 56.79 1w1h n LYS 492 Cb 0.23 -4.58 -0.15 0.00 -0.02 0.00 0.00 35.03 30.52 1w1h n LYS 492 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1w1h s VAL 493 N -3.63 0.49 0.08 -0.18 0.11 -1.13 -4.99 120.40 111.16 1w1h s VAL 493 Ca 0.25 -0.24 -0.31 0.00 -2.93 0.00 0.00 61.98 58.75 1w1h s VAL 493 Cb -0.08 -0.43 -0.09 0.00 -1.53 0.00 0.00 36.38 34.25 1w1h s VAL 493 CO 0.85 0.15 1.74 -0.22 -3.33 0.00 0.00 175.10 174.29 1w1h s LEU 494 N 0.03 4.38 -0.08 2.54 2.96 -1.26 -0.82 118.68 126.42 1w1h s LEU 494 Ca 0.00 2.59 0.18 0.00 -0.22 0.00 0.00 54.13 56.68 1w1h s LEU 494 Cb -0.04 -3.56 -0.24 0.00 0.50 0.00 0.00 46.19 42.85 1w1h s LEU 494 CO -0.00 -0.94 0.40 0.29 -1.32 0.00 0.00 176.35 174.78 1w1h n LYS 495 N 5.78 0.66 -3.51 1.98 4.76 -0.43 -4.90 118.16 122.51 1w1h n LYS 495 Ca 0.17 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1w1h n LYS 495 Cb 0.40 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1w1h n LYS 495 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1w1h n GLY 496 N 1.54 -1.86 3.09 0.72 0.00 -1.12 -5.02 105.19 102.54 1w1h n GLY 496 Ca -0.20 -1.14 -0.20 0.00 0.00 0.00 0.00 46.02 44.49 1w1h n GLY 496 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w1h s GLU 497 N -1.76 0.89 -0.28 1.61 2.02 -1.26 -0.76 118.70 119.16 1w1h s GLU 497 Ca 0.00 -0.55 -0.28 0.00 0.02 0.00 0.00 54.97 54.16 1w1h s GLU 497 Cb 0.00 -0.86 0.01 0.00 0.10 0.00 0.00 34.13 33.38 1w1h s GLU 497 CO 0.00 0.23 1.01 0.42 0.02 0.00 0.00 175.26 176.93 1w1h s ILE 498 N -0.54 4.63 0.18 -1.63 1.01 0.13 -5.00 121.20 119.98 1w1h s ILE 498 Ca 0.02 1.76 -0.31 0.00 0.00 0.00 0.00 60.65 62.13 1w1h s ILE 498 Cb -0.06 -4.32 -0.09 0.00 0.01 0.00 0.00 42.46 38.00 1w1h s ILE 498 CO 0.00 -0.31 1.38 -2.16 0.00 0.00 0.00 174.94 173.85 1w1h s PRO 499 N 3.34 4.33 0.06 2.79 0.04 -1.26 -4.09 135.00 140.21 1w1h s PRO 499 Ca 0.42 2.14 -0.22 0.00 0.04 0.00 0.00 61.00 63.38 1w1h s PRO 499 Cb -0.14 -3.19 -0.06 0.00 0.04 0.00 0.00 34.50 31.15 1w1h s PRO 499 CO 0.11 -0.37 0.66 -0.46 0.04 0.00 0.00 177.00 176.97 1w1h s TRP 500 N 0.49 3.77 0.20 0.56 -0.11 -1.26 -4.87 118.94 117.73 1w1h s TRP 500 Ca 0.61 1.36 -0.23 0.00 1.22 0.00 0.00 56.10 59.05 1w1h s TRP 500 Cb -0.38 -2.65 0.05 0.00 -1.50 0.00 0.00 33.47 28.99 1w1h s TRP 500 CO 0.36 0.44 0.88 -1.54 -4.62 0.00 0.00 176.95 172.47 1w1h s SER 501 N -0.62 -0.19 0.63 5.86 1.04 -1.26 -5.00 113.70 114.15 1w1h s SER 501 Ca 0.33 -0.50 0.38 0.00 0.48 0.00 0.00 55.95 56.63 1w1h s SER 501 Cb -0.20 0.58 2.10 0.00 0.10 0.00 0.00 66.02 68.60 1w1h s SER 501 CO 0.21 -1.07 2.29 -0.61 0.98 0.00 0.00 173.24 175.04 1w1h h GLN 502 N 2.00 0.00 -0.00 4.02 4.15 -2.01 -1.50 115.11 121.77 1w1h h GLN 502 Ca -0.23 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1w1h h GLN 502 Cb 1.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1w1h h GLN 502 CO 0.25 0.01 -0.21 0.39 -1.93 0.00 0.00 178.83 177.34 1w1h n GLU 503 N -3.38 0.14 -1.89 1.69 1.02 -1.26 -4.87 120.64 112.10 1w1h n GLU 503 Ca -0.03 -0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.65 1w1h n GLU 503 Cb 0.10 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.00 1w1h n GLU 503 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1w1h s LEU 504 N -2.89 4.37 -0.12 -4.62 0.20 -0.57 -4.73 118.68 110.31 1w1h s LEU 504 Ca 0.16 2.78 -0.04 0.00 0.69 0.00 0.00 54.13 57.73 1w1h s LEU 504 Cb 0.19 -3.62 0.06 0.00 -0.43 0.00 0.00 46.19 42.38 1w1h s LEU 504 CO 0.58 -0.83 0.16 -0.60 -0.29 0.00 0.00 176.35 175.37 1w1h s ARG 505 N -0.03 0.07 0.49 1.98 3.52 -0.29 -4.97 118.95 119.71 1w1h s ARG 505 Ca 0.64 0.36 -0.14 0.00 -0.13 0.00 0.00 55.73 56.46 1w1h s ARG 505 Cb -0.45 -0.77 -0.07 0.00 -1.56 0.00 0.00 34.95 32.10 1w1h s ARG 505 CO 0.42 -0.45 0.92 -1.25 -0.81 0.00 0.00 175.30 174.13 1w1h s PRO 506 N 2.27 3.86 -0.14 5.12 0.04 -1.26 -0.89 135.00 143.99 1w1h s PRO 506 Ca 0.04 0.78 -0.06 0.00 0.04 0.00 0.00 61.00 61.80 1w1h s PRO 506 Cb -0.14 -2.21 0.06 0.00 0.04 0.00 0.00 34.50 32.26 1w1h s PRO 506 CO -0.08 -0.23 0.30 -2.00 0.04 0.00 0.00 177.00 175.04 1w1h s GLU 507 N -4.13 0.23 -0.34 4.56 2.12 -0.32 -4.95 118.70 115.86 1w1h s GLU 507 Ca 0.56 0.74 -0.21 0.00 0.36 0.00 0.00 54.97 56.43 1w1h s GLU 507 Cb -0.10 0.00 -0.00 0.00 0.26 0.00 0.00 34.13 34.29 1w1h s GLU 507 CO 0.34 -0.23 0.64 0.00 -0.54 0.00 0.00 175.26 175.47 1w1h s ALA 508 N 1.99 3.48 -0.01 6.30 0.00 -1.26 -0.34 121.76 131.92 1w1h s ALA 508 Ca -0.04 -0.78 -0.16 0.00 0.00 0.00 0.00 51.96 50.98 1w1h s ALA 508 Cb -0.11 -3.16 -0.34 0.00 0.00 0.00 0.00 23.12 19.51 1w1h s ALA 508 CO -0.10 -1.27 0.89 -0.22 0.00 0.00 0.00 175.76 175.06 1w1h h LYS 509 N 8.39 0.46 0.00 0.00 1.63 -1.49 -3.49 116.57 122.07 1w1h h LYS 509 Ca -0.26 -0.79 -0.00 0.00 -0.85 0.00 0.00 60.65 58.74 1w1h h LYS 509 Cb 1.11 0.30 0.00 0.00 -0.60 0.00 0.00 32.23 33.04 1w1h h LYS 509 CO 0.83 1.38 0.03 0.27 -3.45 0.00 0.00 179.45 178.52 1w1h n ASN 510 N -3.77 -0.29 0.30 4.20 0.23 -1.09 -4.99 115.26 109.85 1w1h n ASN 510 Ca -0.19 -1.21 0.19 0.00 -0.53 0.00 0.00 54.58 52.85 1w1h n ASN 510 Cb 1.05 0.49 0.86 0.00 -2.08 0.00 0.00 39.78 40.10 1w1h n ASN 510 CO 0.00 0.00 0.00 -0.26 -0.93 0.00 0.00 177.26 176.07 1w1h h PHE 511 N 1.13 0.00 -0.11 -2.53 0.04 -1.94 -3.02 116.94 110.51 1w1h h PHE 511 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1w1h h PHE 511 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1w1h h PHE 511 CO 0.00 0.01 0.00 1.63 -0.60 0.00 0.00 178.31 179.35 1w1h n LYS 512 N -3.11 2.95 -3.74 1.51 5.02 -1.26 -1.35 118.16 118.18 1w1h n LYS 512 Ca -0.01 -1.68 -0.15 0.00 -2.02 0.00 0.00 58.31 54.45 1w1h n LYS 512 Cb 0.23 -1.09 -0.15 0.00 -0.02 0.00 0.00 35.03 34.00 1w1h n LYS 512 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1w1h s THR 513 N -1.02 -0.08 0.04 -0.18 2.01 -1.14 -0.20 115.64 115.07 1w1h s THR 513 Ca 0.07 0.23 -0.00 0.00 0.31 0.00 0.00 61.69 62.30 1w1h s THR 513 Cb 0.04 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.34 1w1h s THR 513 CO 0.05 0.10 -0.03 0.72 -0.69 0.00 0.00 174.62 174.76 1w1h s PHE 514 N 1.34 0.40 0.09 4.92 -0.71 0.10 -1.12 117.98 123.00 1w1h s PHE 514 Ca -0.07 -0.79 0.07 0.00 -1.04 0.00 0.00 56.93 55.11 1w1h s PHE 514 Cb -0.12 -0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.36 1w1h s PHE 514 CO -0.05 -0.28 -0.13 -0.06 -1.34 0.00 0.00 175.22 173.37 1w1h s PHE 515 N -2.65 2.68 -0.22 3.49 0.08 0.54 -1.26 117.98 120.64 1w1h s PHE 515 Ca -0.05 -0.19 0.02 0.00 0.12 0.00 0.00 56.93 56.83 1w1h s PHE 515 Cb -0.01 -1.42 0.04 0.00 -0.57 0.00 0.00 43.02 41.06 1w1h s PHE 515 CO -0.05 0.40 -0.12 0.08 -0.10 0.00 0.00 175.22 175.42 1w1h s VAL 516 N -1.15 1.92 -0.14 -0.44 1.01 -0.39 -1.18 120.40 120.03 1w1h s VAL 516 Ca 0.20 -1.23 -0.20 0.00 0.00 0.00 0.00 61.98 60.75 1w1h s VAL 516 Cb -0.11 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1w1h s VAL 516 CO 0.12 0.16 0.55 -1.00 0.00 0.00 0.00 175.10 174.93 1w1h s HIS 517 N 1.27 3.47 0.29 5.22 3.76 -0.07 -0.90 115.29 128.33 1w1h s HIS 517 Ca -0.03 0.94 0.06 0.00 -0.15 0.00 0.00 55.06 55.88 1w1h s HIS 517 Cb -0.17 -2.66 -0.06 0.00 1.11 0.00 0.00 32.58 30.80 1w1h s HIS 517 CO -0.08 0.04 -0.04 0.95 -0.85 0.00 0.00 174.74 174.77 1w1h s THR 518 N 1.07 1.56 0.26 1.30 -4.23 0.31 -1.14 115.64 114.77 1w1h s THR 518 Ca 0.28 -2.10 -0.02 0.00 -1.18 0.00 0.00 61.69 58.67 1w1h s THR 518 Cb -0.16 -2.52 0.26 0.00 1.34 0.00 0.00 72.50 71.42 1w1h s THR 518 CO 0.12 -0.25 1.69 -0.65 -0.54 0.00 0.00 174.62 174.99 1w1h h PRO 519 N 2.24 0.30 -0.01 3.99 0.11 -1.94 -2.66 132.00 134.04 1w1h h PRO 519 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1w1h h PRO 519 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1w1h h PRO 519 CO 0.68 0.20 -0.74 0.09 -0.21 0.00 0.00 178.00 178.01 1w1h n ASN 520 N -5.13 1.47 -3.60 -2.05 3.02 -1.26 -5.00 115.26 102.71 1w1h n ASN 520 Ca 0.17 -1.24 -0.14 0.00 -0.03 0.00 0.00 54.58 53.34 1w1h n ASN 520 Cb 0.53 0.75 -0.07 0.00 -0.61 0.00 0.00 39.78 40.38 1w1h n ASN 520 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1w1h s ARG 521 N -2.72 0.80 -0.12 3.52 3.52 -1.00 -5.14 118.95 117.81 1w1h s ARG 521 Ca 0.13 0.68 -0.00 0.00 -0.13 0.00 0.00 55.73 56.40 1w1h s ARG 521 Cb 0.17 0.39 -0.02 0.00 -1.56 0.00 0.00 34.95 33.93 1w1h s ARG 521 CO 0.72 -0.15 -0.12 0.99 -0.81 0.00 0.00 175.30 175.93 1w1h s THR 522 N -0.14 3.18 -0.09 4.11 2.01 -1.26 -0.53 115.64 122.93 1w1h s THR 522 Ca -0.02 -0.62 -0.13 0.00 0.31 0.00 0.00 61.69 61.23 1w1h s THR 522 Cb -0.03 -2.33 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 1w1h s THR 522 CO 0.02 0.53 0.32 -0.31 -0.69 0.00 0.00 174.62 174.48 1w1h s TYR 523 N 0.21 3.60 -0.33 4.92 1.51 -0.08 -4.93 117.35 122.25 1w1h s TYR 523 Ca -0.07 0.75 -0.01 0.00 -1.01 0.00 0.00 57.07 56.73 1w1h s TYR 523 Cb -0.15 -2.25 0.07 0.00 -0.11 0.00 0.00 41.96 39.52 1w1h s TYR 523 CO 0.05 0.50 0.05 -0.47 -1.11 0.00 0.00 175.55 174.57 1w1h s TYR 524 N -0.44 3.41 -0.12 2.71 6.14 -1.26 -1.27 117.35 126.52 1w1h s TYR 524 Ca 0.19 -2.20 0.02 0.00 0.64 0.00 0.00 57.07 55.73 1w1h s TYR 524 Cb -0.14 -2.48 -0.01 0.00 0.42 0.00 0.00 41.96 39.74 1w1h s TYR 524 CO 0.08 -0.87 -0.18 -0.51 0.64 0.00 0.00 175.55 174.71 1w1h s LEU 525 N 1.17 2.43 -0.11 6.97 1.43 -0.39 -1.46 118.68 128.72 1w1h s LEU 525 Ca -0.00 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1w1h s LEU 525 Cb -0.20 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1w1h s LEU 525 CO -0.03 0.16 0.02 -0.04 0.23 0.00 0.00 176.35 176.68 1w1h s MET 526 N 0.38 3.28 -0.48 1.70 -1.94 0.35 -0.72 119.30 121.87 1w1h s MET 526 Ca -0.14 -0.39 0.03 0.00 -1.71 0.00 0.00 55.69 53.48 1w1h s MET 526 Cb -0.17 -2.91 0.13 0.00 2.01 0.00 0.00 34.83 33.89 1w1h s MET 526 CO 0.07 0.57 0.24 0.34 -0.01 0.00 0.00 175.02 176.23 1w1h s ASP 527 N -0.51 4.09 0.28 3.03 2.15 0.72 -0.77 116.67 125.66 1w1h s ASP 527 Ca 0.09 -2.80 0.19 0.00 0.43 0.00 0.00 52.55 50.46 1w1h s ASP 527 Cb -0.12 -1.40 1.03 0.00 -0.30 0.00 0.00 42.92 42.13 1w1h s ASP 527 CO 0.02 -0.26 1.59 -0.81 -0.17 0.00 0.00 175.17 175.54 1w1h n PRO 528 N 3.36 0.13 0.16 4.34 -0.04 -1.26 -1.25 135.00 140.43 1w1h n PRO 528 Ca 0.06 0.61 0.13 0.00 -0.04 0.00 0.00 63.50 64.26 1w1h n PRO 528 Cb 0.34 -1.90 0.50 0.00 -0.04 0.00 0.00 33.50 32.40 1w1h n PRO 528 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1w1h h SER 529 N 0.00 0.00 0.00 3.54 4.64 -1.94 -3.47 113.55 116.32 1w1h h SER 529 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1w1h h SER 529 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1w1h h SER 529 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1w1h n GLY 530 N 0.23 0.66 1.23 -0.77 0.00 -0.38 -4.98 105.19 101.19 1w1h n GLY 530 Ca 0.02 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.42 1w1h n GLY 530 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1w1h n ASN 531 N 1.01 2.97 -0.37 1.61 3.02 -1.00 -4.69 115.26 117.81 1w1h n ASN 531 Ca 0.00 -3.82 0.05 0.00 -0.03 0.00 0.00 54.58 50.77 1w1h n ASN 531 Cb 0.00 -0.57 0.20 0.00 -0.61 0.00 0.00 39.78 38.80 1w1h n ASN 531 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1w1h h ALA 532 N 1.27 1.45 -0.34 5.41 0.00 -1.48 -2.22 119.26 123.34 1w1h h ALA 532 Ca 0.21 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1w1h h ALA 532 Cb 1.41 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1w1h h ALA 532 CO 0.42 0.34 0.06 0.45 0.00 0.00 0.00 179.25 180.51 1w1h h HIS 533 N 1.09 0.51 -0.83 0.00 3.86 -1.80 -1.85 115.15 116.13 1w1h h HIS 533 Ca 0.46 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.63 1w1h h HIS 533 Cb 0.32 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.59 1w1h h HIS 533 CO -0.00 0.47 0.49 0.87 0.86 0.00 0.00 177.93 180.61 1w1h h LYS 534 N 0.49 1.13 -0.01 2.45 1.57 -1.77 0.13 116.57 120.57 1w1h h LYS 534 Ca 0.11 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1w1h h LYS 534 Cb 0.23 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1w1h h LYS 534 CO 0.00 0.81 0.00 -1.49 -0.57 0.00 0.00 179.45 178.20 1w1h h TRP 535 N 1.14 0.01 -0.41 -1.35 4.06 -1.24 -1.51 115.95 116.64 1w1h h TRP 535 Ca 0.29 -0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.25 1w1h h TRP 535 Cb -0.02 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.11 1w1h h TRP 535 CO -0.00 0.13 0.27 0.00 -3.56 0.00 0.00 178.44 175.27 1w1h h ARG 537 N 0.55 1.19 -0.27 0.00 3.08 -0.70 -0.74 114.38 117.49 1w1h h ARG 537 Ca 0.15 -0.15 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 1w1h h ARG 537 Cb -0.05 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.77 1w1h h ARG 537 CO -0.04 0.88 -0.54 -0.22 -1.07 0.00 0.00 179.97 178.98 1w1h h LYS 538 N 1.20 0.85 -0.68 0.04 1.63 -0.91 0.71 116.57 119.41 1w1h h LYS 538 Ca 0.30 -0.55 -0.05 0.00 -0.85 0.00 0.00 60.65 59.50 1w1h h LYS 538 Cb 0.05 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.72 1w1h h LYS 538 CO -0.05 1.18 0.25 0.82 -3.45 0.00 0.00 179.45 178.20 1w1h h ILE 539 N 0.62 1.25 -0.50 2.00 2.04 -1.14 -1.80 117.51 119.97 1w1h h ILE 539 Ca 0.01 -0.81 -0.07 0.00 1.00 0.00 0.00 64.86 65.00 1w1h h ILE 539 Cb 1.16 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 1w1h h ILE 539 CO 0.12 0.32 0.04 -0.61 0.00 0.00 0.00 178.15 178.01 1w1h h GLN 540 N 0.97 0.82 -0.70 2.37 5.75 -0.92 -0.67 115.11 122.72 1w1h h GLN 540 Ca 0.22 -0.21 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 1w1h h GLN 540 Cb 0.25 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 1w1h h GLN 540 CO -0.01 0.80 0.29 1.49 -2.65 0.00 0.00 178.83 178.75 1w1h h GLU 541 N 0.77 1.04 -0.28 1.69 4.81 -0.44 0.21 114.58 122.39 1w1h h GLU 541 Ca 0.16 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1w1h h GLU 541 Cb 0.41 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1w1h h GLU 541 CO 0.01 0.86 0.01 0.28 -0.73 0.00 0.00 179.01 179.44 1w1h h VAL 542 N 1.00 1.25 -0.58 0.32 2.07 -1.07 -1.43 116.25 117.81 1w1h h VAL 542 Ca 0.24 -0.89 0.08 0.00 0.82 0.00 0.00 66.70 66.94 1w1h h VAL 542 Cb 0.19 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 1w1h h VAL 542 CO -0.02 0.28 0.25 -0.25 0.02 0.00 0.00 177.57 177.85 1w1h h TRP 543 N 0.28 0.44 -0.57 1.57 7.01 -0.73 -0.88 115.95 123.07 1w1h h TRP 543 Ca 0.08 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 61.01 1w1h h TRP 543 Cb 0.40 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.33 1w1h h TRP 543 CO 0.03 0.16 -0.04 0.00 -2.79 0.00 0.00 178.44 175.80 1w1h h ARG 544 N 0.46 1.02 -0.17 2.65 3.08 -0.80 -0.55 114.38 120.06 1w1h h ARG 544 Ca 0.28 -0.34 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 1w1h h ARG 544 Cb 0.29 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1w1h h ARG 544 CO -0.25 1.02 -0.22 1.96 -1.07 0.00 0.00 179.97 181.42 1w1h h GLN 545 N 0.93 0.30 -0.11 0.04 4.20 -0.94 0.23 115.11 119.76 1w1h h GLN 545 Ca 0.16 -0.09 -0.16 0.00 0.06 0.00 0.00 58.65 58.62 1w1h h GLN 545 Cb 0.59 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.35 1w1h h GLN 545 CO 0.04 0.51 -0.57 -0.09 -0.67 0.00 0.00 178.83 178.05 1w1h h ARG 546 N 0.27 0.57 -0.00 1.46 9.65 -0.64 -3.37 114.38 122.32 1w1h h ARG 546 Ca 0.05 -0.47 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 1w1h h ARG 546 Cb 0.54 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 1w1h h ARG 546 CO 0.04 1.10 -0.43 0.66 2.80 0.00 0.00 179.97 184.13 1w1h n TYR 547 N -4.17 0.00 -0.30 2.20 4.01 -0.26 -5.10 117.16 113.53 1w1h n TYR 547 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1w1h n TYR 547 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.66 1w1h n TYR 547 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44