#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyh s ASN 403 N 0.00 6.42 -0.14 3.54 3.04 -1.26 -4.94 114.94 121.60 1iyh s ASN 403 Ca 0.00 0.07 -0.04 0.00 0.04 0.00 0.00 52.86 52.93 1iyh s ASN 403 Cb 0.00 -2.55 -0.03 0.00 -1.54 0.00 0.00 41.25 37.12 1iyh s ASN 403 CO 0.00 -1.52 0.01 -0.31 -3.04 0.00 0.00 177.10 172.24 1iyh s TYR 404 N 5.05 3.14 -0.17 0.43 1.51 -1.26 -1.34 117.35 124.72 1iyh s TYR 404 Ca 0.43 -0.02 -0.02 0.00 -1.01 0.00 0.00 57.07 56.45 1iyh s TYR 404 Cb -0.08 -1.94 0.05 0.00 -0.11 0.00 0.00 41.96 39.88 1iyh s TYR 404 CO 0.25 0.19 0.00 0.21 -1.11 0.00 0.00 175.55 175.09 1iyh s LYS 405 N -0.04 0.91 -0.20 -0.62 2.20 -0.75 -0.79 119.74 120.45 1iyh s LYS 405 Ca 0.04 -0.38 -0.11 0.00 -0.36 0.00 0.00 55.97 55.15 1iyh s LYS 405 Cb -0.13 -1.90 -0.05 0.00 -1.51 0.00 0.00 37.83 34.25 1iyh s LYS 405 CO 0.02 -0.52 0.19 -1.17 -0.36 0.00 0.00 175.35 173.51 1iyh s LEU 406 N 1.79 4.20 -0.12 5.43 2.96 0.10 -1.24 118.68 131.79 1iyh s LEU 406 Ca 0.00 0.30 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 1iyh s LEU 406 Cb -0.16 -2.19 -0.00 0.00 0.50 0.00 0.00 46.19 44.34 1iyh s LEU 406 CO -0.07 0.13 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.01 1iyh s THR 407 N 0.55 2.48 0.26 3.68 2.01 -0.77 -0.53 115.64 123.32 1iyh s THR 407 Ca 0.11 -0.86 -0.15 0.00 0.31 0.00 0.00 61.69 61.10 1iyh s THR 407 Cb -0.12 -2.00 0.06 0.00 0.01 0.00 0.00 72.50 70.44 1iyh s THR 407 CO 0.01 0.54 0.77 0.00 -0.69 0.00 0.00 174.62 175.25 1iyh n TYR 408 N 3.68 -1.77 -1.74 4.92 9.36 -0.79 -2.45 117.16 128.38 1iyh n TYR 408 Ca -0.19 -1.38 -0.29 0.00 3.32 0.00 0.00 57.90 59.36 1iyh n TYR 408 Cb 0.53 0.68 0.16 0.00 -0.63 0.00 0.00 39.34 40.08 1iyh n TYR 408 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 1iyh s PHE 409 N -2.91 1.96 -1.33 2.98 0.40 -1.26 -1.47 117.98 116.35 1iyh s PHE 409 Ca 0.16 0.55 -0.12 0.00 -0.60 0.00 0.00 56.93 56.92 1iyh s PHE 409 Cb -0.03 -3.75 0.12 0.00 0.51 0.00 0.00 43.02 39.87 1iyh s PHE 409 CO 0.08 -2.54 1.91 -1.71 0.70 0.00 0.00 175.22 173.65 1iyh n ASN 410 N -3.79 4.73 -3.63 1.36 4.05 -1.26 -4.70 115.26 112.04 1iyh n ASN 410 Ca 0.12 -3.00 -0.06 0.00 0.45 0.00 0.00 54.58 52.09 1iyh n ASN 410 Cb 0.60 -1.57 -0.02 0.00 1.23 0.00 0.00 39.78 40.02 1iyh n ASN 410 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1iyh s MET 411 N 1.72 0.98 0.00 1.20 0.23 -1.26 -4.94 119.30 117.23 1iyh s MET 411 Ca 0.44 -0.47 -0.07 0.00 -1.03 0.00 0.00 55.69 54.56 1iyh s MET 411 Cb 0.09 0.38 -0.04 0.00 -1.53 0.00 0.00 34.83 33.73 1iyh s MET 411 CO -0.02 -0.44 0.79 0.00 -2.03 0.00 0.00 175.02 173.33 1iyh h ARG 412 N 2.00 -0.23 0.00 3.16 3.08 -1.82 -3.45 114.38 117.12 1iyh h ARG 412 Ca -0.23 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1iyh h ARG 412 Cb 1.23 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1iyh h ARG 412 CO 0.28 -0.15 0.00 0.41 -1.07 0.00 0.00 179.97 179.44 1iyh n GLY 413 N -0.22 2.30 0.01 0.04 0.00 0.61 -1.80 105.19 106.12 1iyh n GLY 413 Ca -0.03 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.03 1iyh n GLY 413 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iyh n ARG 414 N 14.00 0.03 0.05 1.61 1.74 -1.26 -3.52 116.66 129.31 1iyh n ARG 414 Ca 0.00 0.02 0.11 0.00 -0.77 0.00 0.00 57.85 57.21 1iyh n ARG 414 Cb 0.00 -1.53 0.01 0.00 -1.02 0.00 0.00 32.46 29.92 1iyh n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iyh n ALA 415 N -1.53 2.97 -0.14 7.54 0.00 -0.97 -4.36 120.51 124.01 1iyh n ALA 415 Ca 0.07 -0.34 0.09 0.00 0.00 0.00 0.00 53.44 53.25 1iyh n ALA 415 Cb 0.35 -1.01 0.41 0.00 0.00 0.00 0.00 19.45 19.20 1iyh n ALA 415 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1iyh h GLU 416 N 0.00 0.60 -0.55 0.00 4.57 -1.40 -1.09 114.58 116.71 1iyh h GLU 416 Ca 0.00 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 1iyh h GLU 416 Cb 0.86 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.29 1iyh h GLU 416 CO 0.00 0.40 0.18 0.97 -1.18 0.00 0.00 179.01 179.37 1iyh h ILE 417 N 0.62 1.21 -0.40 2.32 6.09 -1.82 -0.45 117.51 125.08 1iyh h ILE 417 Ca 0.30 -0.72 -0.11 0.00 -1.37 0.00 0.00 64.86 62.96 1iyh h ILE 417 Cb 0.38 0.61 -0.01 0.00 0.47 0.00 0.00 36.82 38.26 1iyh h ILE 417 CO -0.10 0.27 -0.19 0.40 -3.07 0.00 0.00 178.15 175.46 1iyh h ILE 418 N 0.79 1.28 -0.40 2.19 2.04 -1.50 -2.34 117.51 119.57 1iyh h ILE 418 Ca 0.18 -1.33 -0.04 0.00 1.00 0.00 0.00 64.86 64.67 1iyh h ILE 418 Cb 0.22 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1iyh h ILE 418 CO -0.01 0.45 0.08 0.03 0.00 0.00 0.00 178.15 178.69 1iyh h ARG 419 N 0.65 0.60 -0.37 2.37 3.08 -0.65 -1.69 114.38 118.36 1iyh h ARG 419 Ca 0.09 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 1iyh h ARG 419 Cb 0.75 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1iyh h ARG 419 CO 0.06 0.56 -0.26 1.88 -1.07 0.00 0.00 179.97 181.15 1iyh h TYR 420 N 0.58 0.98 -0.42 3.04 -1.99 -0.95 -2.06 116.97 116.14 1iyh h TYR 420 Ca 0.13 -0.26 -0.02 0.00 2.00 0.00 0.00 58.73 60.58 1iyh h TYR 420 Cb 0.25 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 38.75 1iyh h TYR 420 CO 0.01 1.04 0.18 0.82 -0.00 0.00 0.00 178.16 180.21 1iyh h ILE 421 N 0.63 1.19 -0.61 -2.88 2.04 -1.05 0.19 117.51 117.02 1iyh h ILE 421 Ca 0.07 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 1iyh h ILE 421 Cb 0.83 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1iyh h ILE 421 CO 0.07 0.22 0.38 -0.26 0.00 0.00 0.00 178.15 178.55 1iyh h PHE 422 N 0.54 0.80 -0.27 1.37 0.05 -1.30 -0.86 116.94 117.26 1iyh h PHE 422 Ca 0.14 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.92 1iyh h PHE 422 Cb 0.17 -0.26 -0.01 0.00 2.00 0.00 0.00 35.95 37.84 1iyh h PHE 422 CO -0.00 0.53 0.09 0.00 -0.18 0.00 0.00 178.31 178.75 1iyh h ALA 423 N 1.20 0.35 -0.30 2.45 0.00 -1.08 0.62 119.26 122.50 1iyh h ALA 423 Ca 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1iyh h ALA 423 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1iyh h ALA 423 CO -0.04 -0.03 0.17 -0.92 0.00 0.00 0.00 179.25 178.43 1iyh h TYR 424 N 0.27 0.40 0.00 0.00 3.20 -0.75 -2.45 116.97 117.64 1iyh h TYR 424 Ca 0.09 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1iyh h TYR 424 Cb 0.23 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1iyh h TYR 424 CO 0.00 0.32 0.00 1.28 -1.64 0.00 0.00 178.16 178.12 1iyh n LEU 425 N -4.83 0.00 -3.47 2.82 4.77 -0.35 -4.90 117.00 111.04 1iyh n LEU 425 Ca -0.02 0.05 -0.18 0.00 -0.03 0.00 0.00 56.01 55.83 1iyh n LEU 425 Cb 0.07 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.19 1iyh n LEU 425 CO 0.35 -0.01 0.09 -0.67 -1.33 0.00 0.00 177.39 175.82 1iyh n ASP 426 N -1.05 -2.07 -4.44 -1.43 4.64 -0.66 -4.99 116.55 106.55 1iyh n ASP 426 Ca 0.20 -0.64 -0.34 0.00 -1.38 0.00 0.00 54.79 52.62 1iyh n ASP 426 Cb 0.12 -4.98 -0.13 0.00 -1.04 0.00 0.00 41.12 35.08 1iyh n ASP 426 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1iyh s ILE 427 N -3.40 3.64 0.33 5.18 -1.09 0.12 -5.04 121.20 120.94 1iyh s ILE 427 Ca 0.02 -0.44 -0.26 0.00 -2.23 0.00 0.00 60.65 57.74 1iyh s ILE 427 Cb -0.01 -2.60 -0.09 0.00 -1.58 0.00 0.00 42.46 38.18 1iyh s ILE 427 CO 0.74 0.48 1.00 -1.10 -1.23 0.00 0.00 174.94 174.83 1iyh s GLN 428 N 0.62 4.50 0.14 2.79 -1.52 -1.26 -4.63 119.66 120.30 1iyh s GLN 428 Ca -0.03 1.48 -0.24 0.00 -1.95 0.00 0.00 55.36 54.62 1iyh s GLN 428 Cb -0.15 -2.84 0.07 0.00 -0.22 0.00 0.00 33.01 29.88 1iyh s GLN 428 CO 0.03 0.17 0.65 1.52 -0.25 0.00 0.00 175.29 177.40 1iyh s TYR 429 N -1.51 -0.49 -0.27 0.91 -0.85 -1.26 -4.52 117.35 109.36 1iyh s TYR 429 Ca 0.51 0.28 -0.18 0.00 -0.52 0.00 0.00 57.07 57.15 1iyh s TYR 429 Cb -0.23 0.56 -0.02 0.00 0.38 0.00 0.00 41.96 42.66 1iyh s TYR 429 CO 0.29 -0.83 0.54 -2.00 -1.52 0.00 0.00 175.55 172.03 1iyh s GLU 430 N -3.67 4.04 -1.18 -3.49 2.12 0.03 -4.99 118.70 111.57 1iyh s GLU 430 Ca 0.02 0.33 -0.11 0.00 0.36 0.00 0.00 54.97 55.57 1iyh s GLU 430 Cb -0.01 -3.66 0.21 0.00 0.26 0.00 0.00 34.13 30.93 1iyh s GLU 430 CO -0.11 -0.39 1.35 -3.47 -0.54 0.00 0.00 175.26 172.10 1iyh n ASP 431 N 5.60 5.37 -4.66 -1.70 4.64 -1.26 -0.72 116.55 123.82 1iyh n ASP 431 Ca -0.03 -3.02 -0.43 0.00 -1.38 0.00 0.00 54.79 49.92 1iyh n ASP 431 Cb 0.49 -1.49 -0.02 0.00 -1.04 0.00 0.00 41.12 39.07 1iyh n ASP 431 CO 0.00 0.00 0.00 -2.28 -0.82 0.00 0.00 177.20 174.10 1iyh s HIS 432 N 0.32 3.13 -0.30 -0.67 5.65 0.31 -5.01 115.29 118.73 1iyh s HIS 432 Ca 0.38 1.26 0.02 0.00 0.25 0.00 0.00 55.06 56.98 1iyh s HIS 432 Cb -0.04 -3.44 0.07 0.00 -1.18 0.00 0.00 32.58 27.99 1iyh s HIS 432 CO -0.02 -0.94 -0.03 1.03 -0.65 0.00 0.00 174.74 174.12 1iyh s ARG 433 N 3.41 2.05 0.76 2.88 0.52 -1.26 -1.88 118.95 125.43 1iyh s ARG 433 Ca 0.48 -1.51 -0.11 0.00 -0.52 0.00 0.00 55.73 54.07 1iyh s ARG 433 Cb -0.17 -3.06 0.05 0.00 0.52 0.00 0.00 34.95 32.30 1iyh s ARG 433 CO 0.11 -0.71 1.13 0.96 0.02 0.00 0.00 175.30 176.81 1iyh s ILE 434 N 1.07 2.65 0.01 1.52 -4.36 -0.54 -4.78 121.20 116.77 1iyh s ILE 434 Ca -0.02 0.17 -0.01 0.00 -0.26 0.00 0.00 60.65 60.53 1iyh s ILE 434 Cb -0.20 -3.20 -0.04 0.00 1.25 0.00 0.00 42.46 40.27 1iyh s ILE 434 CO -0.05 -0.26 0.14 -1.61 0.24 0.00 0.00 174.94 173.40 1iyh s GLU 435 N -5.45 3.25 0.27 0.37 0.41 -1.26 -4.04 118.70 112.24 1iyh s GLU 435 Ca 0.60 -0.43 0.00 0.00 -0.41 0.00 0.00 54.97 54.73 1iyh s GLU 435 Cb -0.11 -2.97 0.60 0.00 -1.78 0.00 0.00 34.13 29.87 1iyh s GLU 435 CO 0.50 0.65 1.72 1.96 -0.49 0.00 0.00 175.26 179.59 1iyh h GLN 436 N 3.76 0.45 -0.09 1.61 1.08 -2.00 0.11 115.11 120.02 1iyh h GLN 436 Ca -0.48 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 56.72 1iyh h GLN 436 Cb 1.18 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 28.50 1iyh h GLN 436 CO 0.67 0.30 0.14 0.00 -0.95 0.00 0.00 178.83 178.99 1iyh h ALA 437 N 1.63 1.54 -0.06 3.87 0.00 -2.05 -1.58 119.26 122.61 1iyh h ALA 437 Ca 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1iyh h ALA 437 Cb 0.84 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1iyh h ALA 437 CO -0.46 -0.19 0.00 -0.25 0.00 0.00 0.00 179.25 178.35 1iyh n ASP 438 N -3.56 2.49 0.05 0.00 9.92 0.36 -4.62 116.55 121.18 1iyh n ASP 438 Ca -0.01 -1.73 -0.13 0.00 -0.53 0.00 0.00 54.79 52.40 1iyh n ASP 438 Cb 0.24 -0.03 -0.08 0.00 -0.64 0.00 0.00 41.12 40.60 1iyh n ASP 438 CO 0.00 0.00 0.00 -0.25 0.13 0.00 0.00 177.20 177.08 1iyh h TRP 439 N 3.29 -0.09 -0.19 1.24 -0.00 -0.86 -2.82 115.95 116.52 1iyh h TRP 439 Ca 0.00 -0.00 0.05 0.00 -0.00 0.00 0.00 58.89 58.94 1iyh h TRP 439 Cb 0.71 0.03 -0.01 0.00 -0.00 0.00 0.00 29.16 29.90 1iyh h TRP 439 CO 0.03 0.18 0.24 -1.00 -0.00 0.00 0.00 178.44 177.89 1iyh h PRO 440 N -0.36 0.00 0.02 2.65 0.13 -1.82 0.41 132.00 133.03 1iyh h PRO 440 Ca -0.01 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.07 1iyh h PRO 440 Cb 0.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.45 1iyh h PRO 440 CO 0.02 0.00 -0.19 1.49 -0.23 0.00 0.00 178.00 179.09 1iyh h GLU 441 N 0.00 0.10 -0.47 0.86 4.57 -1.84 -3.25 114.58 114.55 1iyh h GLU 441 Ca 0.09 -0.13 -0.11 0.00 -1.18 0.00 0.00 59.36 58.03 1iyh h GLU 441 Cb 0.57 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1iyh h GLU 441 CO -0.00 0.95 -0.13 0.82 -1.18 0.00 0.00 179.01 179.47 1iyh h ILE 442 N -0.70 1.27 -0.98 2.32 2.04 -1.05 -3.14 117.51 117.27 1iyh h ILE 442 Ca -0.03 -1.27 0.18 0.00 1.00 0.00 0.00 64.86 64.75 1iyh h ILE 442 Cb 1.03 1.11 -0.11 0.00 -0.74 0.00 0.00 36.82 38.11 1iyh h ILE 442 CO 0.04 0.44 0.58 0.50 0.00 0.00 0.00 178.15 179.71 1iyh h LYS 443 N 0.77 0.72 0.00 2.37 3.64 -0.34 -0.07 116.57 123.66 1iyh h LYS 443 Ca 0.12 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1iyh h LYS 443 Cb 0.69 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1iyh h LYS 443 CO 0.05 0.48 -0.04 0.66 -2.27 0.00 0.00 179.45 178.33 1iyh h SER 444 N 0.74 0.00 0.27 4.20 4.64 -1.57 -2.40 113.55 119.42 1iyh h SER 444 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 1iyh h SER 444 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1iyh h SER 444 CO -0.38 0.04 -0.40 0.35 -0.87 0.00 0.00 176.83 175.56 1iyh n THR 445 N -3.27 0.00 -3.33 2.95 -2.24 -0.05 -4.90 114.28 103.44 1iyh n THR 445 Ca -0.01 -0.10 -0.38 0.00 -2.27 0.00 0.00 64.05 61.29 1iyh n THR 445 Cb 0.20 0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 68.85 1iyh n THR 445 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1iyh s LEU 446 N -2.67 4.35 0.37 3.22 1.02 -0.90 -4.98 118.68 119.07 1iyh s LEU 446 Ca 0.19 0.91 0.13 0.00 0.02 0.00 0.00 54.13 55.38 1iyh s LEU 446 Cb 0.18 -2.71 0.96 0.00 0.02 0.00 0.00 46.19 44.64 1iyh s LEU 446 CO 0.60 0.09 1.80 -0.65 0.02 0.00 0.00 176.35 178.21 1iyh h PRO 447 N 6.08 0.52 0.00 1.29 0.11 -1.90 -2.65 132.00 135.45 1iyh h PRO 447 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1iyh h PRO 447 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1iyh h PRO 447 CO 0.71 0.34 0.00 1.19 -0.21 0.00 0.00 178.00 180.04 1iyh n PHE 448 N -4.65 0.00 -3.58 0.65 3.01 -1.26 -5.03 117.46 106.60 1iyh n PHE 448 Ca 0.23 -0.34 -0.26 0.00 1.01 0.00 0.00 57.45 58.09 1iyh n PHE 448 Cb 0.71 -0.03 0.03 0.00 -0.01 0.00 0.00 39.48 40.18 1iyh n PHE 448 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iyh n GLY 449 N -0.34 -0.51 3.06 1.37 0.00 -1.00 -5.00 105.19 102.77 1iyh n GLY 449 Ca 0.00 0.17 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 1iyh n GLY 449 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iyh s LYS 450 N -6.28 0.52 0.23 1.61 -0.14 -1.26 -4.97 119.74 109.45 1iyh s LYS 450 Ca 0.53 -0.96 0.06 0.00 -1.36 0.00 0.00 55.97 54.25 1iyh s LYS 450 Cb -0.26 0.07 -0.05 0.00 -1.68 0.00 0.00 37.83 35.90 1iyh s LYS 450 CO 0.66 -0.06 -0.08 0.96 -0.76 0.00 0.00 175.35 176.07 1iyh s ILE 451 N -2.69 1.50 0.82 2.17 -4.36 -1.26 -4.60 121.20 112.77 1iyh s ILE 451 Ca -0.03 -2.13 -0.11 0.00 -0.26 0.00 0.00 60.65 58.13 1iyh s ILE 451 Cb -0.01 -2.23 0.09 0.00 1.25 0.00 0.00 42.46 41.56 1iyh s ILE 451 CO -0.05 -0.45 1.10 -2.16 0.24 0.00 0.00 174.94 173.61 1iyh s PRO 452 N -3.73 1.85 0.05 0.37 0.04 -1.26 -4.96 135.00 127.36 1iyh s PRO 452 Ca 0.25 1.10 0.01 0.00 0.04 0.00 0.00 61.00 62.41 1iyh s PRO 452 Cb 0.03 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 1iyh s PRO 452 CO 0.08 -1.91 -0.06 0.96 0.04 0.00 0.00 177.00 176.11 1iyh s ILE 453 N -2.88 0.48 -0.09 0.56 -4.36 -1.03 -3.81 121.20 110.07 1iyh s ILE 453 Ca 0.62 -1.37 -0.00 0.00 -0.26 0.00 0.00 60.65 59.64 1iyh s ILE 453 Cb -0.18 -0.95 0.02 0.00 1.25 0.00 0.00 42.46 42.60 1iyh s ILE 453 CO 0.57 -0.61 -0.05 -0.22 0.24 0.00 0.00 174.94 174.87 1iyh s LEU 454 N -2.12 1.07 -0.18 0.37 2.96 0.09 -1.85 118.68 119.03 1iyh s LEU 454 Ca -0.03 -0.22 -0.17 0.00 -0.22 0.00 0.00 54.13 53.49 1iyh s LEU 454 Cb -0.04 -0.68 -0.04 0.00 0.50 0.00 0.00 46.19 45.93 1iyh s LEU 454 CO -0.02 -0.12 0.43 -1.61 -1.32 0.00 0.00 176.35 173.71 1iyh s GLU 455 N 1.61 4.23 -0.32 1.98 2.02 -0.38 -0.08 118.70 127.76 1iyh s GLU 455 Ca 0.02 0.30 0.03 0.00 0.02 0.00 0.00 54.97 55.33 1iyh s GLU 455 Cb -0.13 -3.51 0.09 0.00 0.10 0.00 0.00 34.13 30.68 1iyh s GLU 455 CO -0.05 0.01 0.02 0.08 0.02 0.00 0.00 175.26 175.33 1iyh s VAL 456 N 1.13 2.38 -1.42 2.63 1.01 0.29 -1.81 120.40 124.61 1iyh s VAL 456 Ca 0.22 -2.07 -0.06 0.00 0.00 0.00 0.00 61.98 60.07 1iyh s VAL 456 Cb -0.15 -2.62 0.04 0.00 0.00 0.00 0.00 36.38 33.64 1iyh s VAL 456 CO 0.08 -0.42 0.76 0.47 0.00 0.00 0.00 175.10 176.00 1iyh n ASP 457 N 4.35 -2.40 0.00 3.32 10.43 -0.45 -1.30 116.55 130.50 1iyh n ASP 457 Ca -0.03 -0.84 0.00 0.00 2.57 0.00 0.00 54.79 56.49 1iyh n ASP 457 Cb 0.42 -3.79 0.00 0.00 1.84 0.00 0.00 41.12 39.59 1iyh n ASP 457 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1iyh n GLY 458 N -1.67 2.85 3.71 0.44 0.00 -1.26 -5.02 105.19 104.24 1iyh n GLY 458 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1iyh n GLY 458 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iyh s LEU 459 N 0.00 4.33 -0.07 0.99 1.43 -0.42 -5.01 118.68 119.93 1iyh s LEU 459 Ca 0.00 1.44 -0.18 0.00 -1.03 0.00 0.00 54.13 54.36 1iyh s LEU 459 Cb 0.00 -3.36 -0.05 0.00 0.03 0.00 0.00 46.19 42.82 1iyh s LEU 459 CO 0.00 -0.22 0.48 -0.89 0.23 0.00 0.00 176.35 175.94 1iyh s THR 460 N 1.06 5.10 0.15 5.49 2.01 -1.26 0.10 115.64 128.29 1iyh s THR 460 Ca 0.45 0.97 0.11 0.00 0.31 0.00 0.00 61.69 63.53 1iyh s THR 460 Cb -0.19 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1iyh s THR 460 CO 0.23 0.41 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.55 1iyh s LEU 461 N 0.06 2.36 0.30 4.42 1.43 0.89 -4.97 118.68 123.17 1iyh s LEU 461 Ca 0.26 -0.79 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1iyh s LEU 461 Cb -0.16 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 1iyh s LEU 461 CO 0.12 0.14 0.16 -1.38 0.23 0.00 0.00 176.35 175.62 1iyh s HIS 462 N -1.33 1.58 0.01 0.29 -3.43 -1.26 -0.73 115.29 110.42 1iyh s HIS 462 Ca 0.16 -1.37 0.00 0.00 -0.80 0.00 0.00 55.06 53.05 1iyh s HIS 462 Cb -0.09 -0.84 0.00 0.00 -1.43 0.00 0.00 32.58 30.22 1iyh s HIS 462 CO 0.07 -0.53 0.00 1.04 -2.00 0.00 0.00 174.74 173.32 1iyh n GLN 463 N -0.56 -1.46 -0.24 -0.38 1.13 -1.25 -4.30 117.38 110.31 1iyh n GLN 463 Ca 0.01 1.42 0.05 0.00 -1.94 0.00 0.00 57.00 56.54 1iyh n GLN 463 Cb 0.65 -1.67 0.17 0.00 0.11 0.00 0.00 30.24 29.49 1iyh n GLN 463 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1iyh h SER 464 N 1.20 -0.08 0.67 1.08 4.64 -1.86 -1.40 113.55 117.80 1iyh h SER 464 Ca 0.00 0.15 -0.18 0.00 -0.47 0.00 0.00 61.79 61.30 1iyh h SER 464 Cb 0.00 0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1iyh h SER 464 CO 0.00 -0.07 -0.80 -0.07 -0.87 0.00 0.00 176.83 175.02 1iyh h LEU 465 N 0.22 0.12 -0.53 5.97 3.38 -1.90 -1.18 115.31 121.39 1iyh h LEU 465 Ca 0.40 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 1iyh h LEU 465 Cb 0.69 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1iyh h LEU 465 CO -0.53 0.87 0.07 0.00 0.09 0.00 0.00 178.44 178.94 1iyh h ALA 466 N 1.12 0.71 -0.38 1.53 0.00 -1.67 -0.91 119.26 119.67 1iyh h ALA 466 Ca -0.02 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1iyh h ALA 466 Cb 1.41 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1iyh h ALA 466 CO 0.11 0.47 -0.05 0.82 0.00 0.00 0.00 179.25 180.60 1iyh h ILE 467 N 0.78 1.27 -0.85 0.00 2.04 -1.18 -1.64 117.51 117.93 1iyh h ILE 467 Ca 0.16 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.94 1iyh h ILE 467 Cb 0.43 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1iyh h ILE 467 CO 0.01 0.36 0.56 0.00 0.00 0.00 0.00 178.15 179.09 1iyh h ALA 468 N 0.85 1.08 -0.58 1.87 0.00 -1.06 -0.92 119.26 120.50 1iyh h ALA 468 Ca 0.10 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1iyh h ALA 468 Cb 0.54 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1iyh h ALA 468 CO 0.03 0.48 0.07 -0.09 0.00 0.00 0.00 179.25 179.74 1iyh h ARG 469 N 1.15 0.98 -0.45 0.00 2.43 -1.00 -1.85 114.38 115.64 1iyh h ARG 469 Ca 0.31 -0.27 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1iyh h ARG 469 Cb -0.13 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 1iyh h ARG 469 CO -0.07 0.94 0.29 -0.92 -1.51 0.00 0.00 179.97 178.70 1iyh h TYR 470 N 0.87 0.55 0.00 2.20 3.20 -0.78 -2.02 116.97 120.99 1iyh h TYR 470 Ca 0.17 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 1iyh h TYR 470 Cb 0.45 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1iyh h TYR 470 CO 0.03 0.34 -0.37 -0.07 -1.64 0.00 0.00 178.16 176.46 1iyh h LEU 471 N 0.59 0.00 -0.36 2.82 3.38 -0.96 -3.16 115.31 117.62 1iyh h LEU 471 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1iyh h LEU 471 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1iyh h LEU 471 CO -0.05 0.37 -0.59 0.35 0.09 0.00 0.00 178.44 178.60 1iyh n THR 472 N -3.81 0.00 -1.80 0.22 -2.24 -0.71 -4.88 114.28 101.06 1iyh n THR 472 Ca -0.01 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.26 1iyh n THR 472 Cb 0.44 0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 1iyh n THR 472 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1iyh s LYS 473 N -2.76 4.13 -1.37 -0.78 2.20 -0.78 -1.72 119.74 118.66 1iyh s LYS 473 Ca 0.15 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.31 1iyh s LYS 473 Cb 0.18 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.46 1iyh s LYS 473 CO 0.68 -0.61 0.00 0.09 -0.36 0.00 0.00 175.35 175.15 1iyh n ASN 474 N 2.19 -4.53 -4.56 1.43 3.02 -1.26 -5.01 115.26 106.55 1iyh n ASN 474 Ca 0.08 0.22 -0.26 0.00 -0.03 0.00 0.00 54.58 54.60 1iyh n ASN 474 Cb 0.38 -3.39 -0.11 0.00 -0.61 0.00 0.00 39.78 36.04 1iyh n ASN 474 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1iyh s THR 475 N -2.57 1.73 -1.57 3.41 -4.23 -0.70 -5.02 115.64 106.69 1iyh s THR 475 Ca 0.00 -2.01 0.17 0.00 -1.18 0.00 0.00 61.69 58.68 1iyh s THR 475 Cb 0.00 -2.92 0.35 0.00 1.34 0.00 0.00 72.50 71.27 1iyh s THR 475 CO 0.00 -0.01 1.50 -0.90 -0.54 0.00 0.00 174.62 174.67 1iyh n ASP 476 N -0.87 0.00 0.05 3.99 3.85 -1.26 -2.71 116.55 119.61 1iyh n ASP 476 Ca -0.04 -0.11 0.13 0.00 -0.71 0.00 0.00 54.79 54.06 1iyh n ASP 476 Cb 0.67 -0.22 0.36 0.00 -1.35 0.00 0.00 41.12 40.58 1iyh n ASP 476 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1iyh n LEU 477 N -1.22 0.55 -4.94 -2.12 4.77 -1.26 -4.77 117.00 108.02 1iyh n LEU 477 Ca 0.09 0.37 -0.24 0.00 -0.03 0.00 0.00 56.01 56.20 1iyh n LEU 477 Cb 0.12 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1iyh n LEU 477 CO 0.12 -0.06 0.45 0.00 -1.33 0.00 0.00 177.39 176.57 1iyh s ALA 478 N -3.08 3.52 0.85 -1.18 0.00 -1.10 -2.20 121.76 118.58 1iyh s ALA 478 Ca 0.10 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 1iyh s ALA 478 Cb 0.15 -2.37 0.11 0.00 0.00 0.00 0.00 23.12 21.00 1iyh s ALA 478 CO 0.63 -0.76 1.10 0.20 0.00 0.00 0.00 175.76 176.93 1iyh s GLY 479 N -4.34 1.66 0.11 0.00 0.00 -1.26 -4.93 107.32 98.55 1iyh s GLY 479 Ca 0.54 0.25 0.27 0.00 0.00 0.00 0.00 44.72 45.78 1iyh s GLY 479 CO 0.42 0.67 1.83 0.70 0.00 0.00 0.00 173.10 176.71 1iyh n ASN 480 N -3.85 0.39 -4.14 1.64 5.03 -1.26 -4.66 115.26 108.42 1iyh n ASN 480 Ca 0.09 0.54 -0.10 0.00 0.87 0.00 0.00 54.58 55.98 1iyh n ASN 480 Cb 0.53 -0.65 -0.10 0.00 -1.02 0.00 0.00 39.78 38.55 1iyh n ASN 480 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1iyh s THR 481 N -3.06 0.07 0.29 3.41 -4.23 -1.26 -5.02 115.64 105.85 1iyh s THR 481 Ca 0.12 -1.86 -0.01 0.00 -1.18 0.00 0.00 61.69 58.75 1iyh s THR 481 Cb 0.15 -2.13 0.21 0.00 1.34 0.00 0.00 72.50 72.07 1iyh s THR 481 CO 0.54 -0.33 1.90 -0.33 -0.54 0.00 0.00 174.62 175.86 1iyh h GLU 482 N 2.76 0.94 -0.40 3.99 5.08 -1.99 0.60 114.58 125.57 1iyh h GLU 482 Ca -0.35 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 57.85 1iyh h GLU 482 Cb 1.21 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1iyh h GLU 482 CO 0.56 0.73 0.07 0.52 -1.00 0.00 0.00 179.01 179.88 1iyh h MET 483 N 0.94 0.66 -0.08 2.33 2.86 -1.98 -1.21 114.93 118.46 1iyh h MET 483 Ca 0.23 -0.18 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 1iyh h MET 483 Cb 0.09 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1iyh h MET 483 CO -0.03 0.71 -0.31 0.93 1.06 0.00 0.00 176.91 179.27 1iyh h GLU 484 N 0.52 0.14 -0.23 1.72 5.08 -1.81 -1.25 114.58 118.75 1iyh h GLU 484 Ca 0.12 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1iyh h GLU 484 Cb 0.36 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1iyh h GLU 484 CO 0.01 0.44 -0.22 1.96 -1.00 0.00 0.00 179.01 180.20 1iyh h GLN 485 N 0.13 0.41 -0.44 2.33 4.20 -0.49 -1.36 115.11 119.90 1iyh h GLN 485 Ca 0.02 -0.14 -0.13 0.00 0.06 0.00 0.00 58.65 58.46 1iyh h GLN 485 Cb 0.61 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1iyh h GLN 485 CO 0.04 0.61 -0.21 0.00 -0.67 0.00 0.00 178.83 178.60 1iyh h HIS 487 N 0.75 1.10 0.23 0.00 3.86 -0.79 0.96 115.15 121.26 1iyh h HIS 487 Ca 0.10 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1iyh h HIS 487 Cb 0.79 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1iyh h HIS 487 CO 0.06 0.74 -0.11 0.28 0.86 0.00 0.00 177.93 179.76 1iyh h VAL 488 N 1.14 0.78 -0.79 2.45 2.07 -1.09 -0.67 116.25 120.14 1iyh h VAL 488 Ca 0.30 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.87 1iyh h VAL 488 Cb -0.03 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 1iyh h VAL 488 CO -0.05 0.00 0.48 0.44 0.02 0.00 0.00 177.57 178.46 1iyh h ASP 489 N -0.31 0.75 -0.47 0.57 3.32 -0.98 -1.78 116.42 117.51 1iyh h ASP 489 Ca -0.03 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1iyh h ASP 489 Cb 0.24 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1iyh h ASP 489 CO 0.05 0.48 0.13 0.00 -1.72 0.00 0.00 179.24 178.19 1iyh h ALA 490 N 1.38 0.62 -0.22 3.45 0.00 -0.53 -0.76 119.26 123.20 1iyh h ALA 490 Ca 0.34 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1iyh h ALA 490 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1iyh h ALA 490 CO -0.17 0.29 0.11 0.82 0.00 0.00 0.00 179.25 180.30 1iyh h ILE 491 N 0.63 1.13 -0.72 0.00 1.08 -0.83 -0.92 117.51 117.89 1iyh h ILE 491 Ca 0.15 -0.39 0.03 0.00 -0.39 0.00 0.00 64.86 64.27 1iyh h ILE 491 Cb 0.30 0.99 -0.04 0.00 -3.07 0.00 0.00 36.82 35.00 1iyh h ILE 491 CO -0.00 0.13 0.45 0.58 -0.69 0.00 0.00 178.15 178.62 1iyh h VAL 492 N 0.22 1.10 -0.27 1.67 2.07 -1.23 -1.58 116.25 118.24 1iyh h VAL 492 Ca 0.07 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 67.19 1iyh h VAL 492 Cb 0.11 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1iyh h VAL 492 CO -0.01 0.16 -0.26 0.44 0.02 0.00 0.00 177.57 177.92 1iyh h ASP 493 N 0.88 0.53 -0.38 0.57 3.45 -0.83 0.92 116.42 121.57 1iyh h ASP 493 Ca 0.29 -0.19 -0.03 0.00 0.43 0.00 0.00 57.03 57.53 1iyh h ASP 493 Cb 0.02 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.63 1iyh h ASP 493 CO -0.11 0.78 0.11 0.74 -1.57 0.00 0.00 179.24 179.19 1iyh h THR 494 N 0.46 1.22 -0.31 0.35 2.02 -0.71 0.28 112.91 116.22 1iyh h THR 494 Ca 0.06 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.48 1iyh h THR 494 Cb 0.70 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1iyh h THR 494 CO 0.05 0.25 0.03 -0.07 0.37 0.00 0.00 175.52 176.15 1iyh h LEU 495 N 0.46 0.51 -0.74 2.58 3.38 -1.09 -2.47 115.31 117.94 1iyh h LEU 495 Ca 0.12 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1iyh h LEU 495 Cb 0.27 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1iyh h LEU 495 CO -0.00 0.67 0.32 -0.78 0.09 0.00 0.00 178.44 178.73 1iyh h ASP 496 N 0.34 1.00 -0.66 -0.43 3.58 -0.63 -1.31 116.42 118.31 1iyh h ASP 496 Ca 0.09 -0.16 0.05 0.00 0.42 0.00 0.00 57.03 57.44 1iyh h ASP 496 Cb 0.38 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 41.12 1iyh h ASP 496 CO 0.01 0.88 0.37 0.44 -2.88 0.00 0.00 179.24 178.06 1iyh h ASP 497 N 1.05 0.56 0.16 2.28 3.45 -0.30 0.29 116.42 123.92 1iyh h ASP 497 Ca 0.25 0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.73 1iyh h ASP 497 Cb 0.18 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 1iyh h ASP 497 CO -0.02 0.37 -0.08 0.15 -1.57 0.00 0.00 179.24 178.08 1iyh h PHE 498 N 0.69 -0.21 -0.33 4.55 3.57 -1.01 -2.88 116.94 121.33 1iyh h PHE 498 Ca 0.29 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.83 1iyh h PHE 498 Cb 0.16 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1iyh h PHE 498 CO -0.07 0.12 0.22 0.52 -2.23 0.00 0.00 178.31 176.87 1iyh h MET 499 N -0.55 0.26 0.00 1.11 2.86 -1.04 0.12 114.93 117.69 1iyh h MET 499 Ca -0.02 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1iyh h MET 499 Cb 0.42 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1iyh h MET 499 CO 0.04 0.17 0.00 0.43 1.06 0.00 0.00 176.91 178.61 1iyh n SER 500 N -4.48 0.46 0.21 1.22 7.64 0.07 -2.81 113.62 115.93 1iyh n SER 500 Ca 0.03 0.59 0.09 0.00 1.01 0.00 0.00 58.87 60.59 1iyh n SER 500 Cb 0.21 -0.70 0.34 0.00 -1.01 0.00 0.00 64.21 63.04 1iyh n SER 500 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iyh s PHE 502 N -3.43 3.52 -1.45 0.00 0.40 -1.12 -4.93 117.98 110.97 1iyh s PHE 502 Ca 0.02 1.55 -0.13 0.00 -0.60 0.00 0.00 56.93 57.77 1iyh s PHE 502 Cb 0.09 -3.34 0.05 0.00 0.51 0.00 0.00 43.02 40.33 1iyh s PHE 502 CO 0.66 -0.83 2.23 -0.35 0.70 0.00 0.00 175.22 177.63 1iyh n PRO 503 N 2.22 3.00 -0.15 0.24 -0.04 -1.26 -4.78 135.00 134.23 1iyh n PRO 503 Ca 0.03 -2.70 0.08 0.00 -0.04 0.00 0.00 63.50 60.86 1iyh n PRO 503 Cb 0.45 -3.21 0.39 0.00 -0.04 0.00 0.00 33.50 31.09 1iyh n PRO 503 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1iyh h TRP 504 N 5.90 0.67 -0.26 0.54 4.06 -1.93 -2.20 115.95 122.74 1iyh h TRP 504 Ca 0.57 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.53 1iyh h TRP 504 Cb 0.62 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 1iyh h TRP 504 CO 1.46 0.35 0.00 0.00 -3.56 0.00 0.00 178.44 176.69 1iyh n ALA 505 N -2.47 2.46 -1.97 1.49 0.00 -1.26 -4.94 120.51 113.83 1iyh n ALA 505 Ca 0.10 -0.78 -0.42 0.00 0.00 0.00 0.00 53.44 52.34 1iyh n ALA 505 Cb 0.26 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1iyh n ALA 505 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1iyh s GLU 506 N -1.68 4.18 0.14 0.00 2.56 -0.83 -4.89 118.70 118.19 1iyh s GLU 506 Ca 0.35 2.24 0.10 0.00 0.00 0.00 0.00 54.97 57.67 1iyh s GLU 506 Cb 0.21 -3.96 -0.14 0.00 2.00 0.00 0.00 34.13 32.23 1iyh s GLU 506 CO 0.30 -0.84 1.23 0.87 -0.56 0.00 0.00 175.26 176.26 1iyh h LYS 507 N 9.51 0.00 -5.96 4.30 1.79 -1.92 -3.42 116.57 120.86 1iyh h LYS 507 Ca -0.41 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 57.61 1iyh h LYS 507 Cb 1.19 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.79 1iyh h LYS 507 CO 0.95 0.79 1.15 0.15 -1.08 0.00 0.00 179.45 181.41 1iyh s LYS 508 N -2.77 2.75 0.58 3.15 1.02 -1.26 -4.81 119.74 118.41 1iyh s LYS 508 Ca 0.01 0.11 0.28 0.00 0.02 0.00 0.00 55.97 56.39 1iyh s LYS 508 Cb 0.09 -4.63 1.59 0.00 -0.52 0.00 0.00 37.83 34.37 1iyh s LYS 508 CO 0.80 -2.80 2.05 1.96 -0.92 0.00 0.00 175.35 176.45 1iyh h GLN 509 N 12.87 0.00 0.49 1.68 7.50 -1.98 0.85 115.11 136.51 1iyh h GLN 509 Ca -0.13 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.00 1iyh h GLN 509 Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.63 1iyh h GLN 509 CO 1.24 0.00 -0.23 0.38 -1.50 0.00 0.00 178.83 178.72 1iyh h ASP 510 N 0.00 -0.55 -0.53 1.46 2.03 -1.97 -1.31 116.42 115.55 1iyh h ASP 510 Ca 0.12 -0.08 -0.09 0.00 -0.73 0.00 0.00 57.03 56.26 1iyh h ASP 510 Cb 0.65 0.14 -0.02 0.00 -0.83 0.00 0.00 39.33 39.28 1iyh h ASP 510 CO -0.00 -0.20 -0.00 0.58 -1.03 0.00 0.00 179.24 178.59 1iyh h VAL 511 N -0.96 1.26 0.12 4.15 2.07 -1.80 -2.17 116.25 118.92 1iyh h VAL 511 Ca -0.07 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1iyh h VAL 511 Cb 0.60 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1iyh h VAL 511 CO 0.11 0.39 -0.08 0.50 0.02 0.00 0.00 177.57 178.51 1iyh h LYS 512 N 0.81 -0.19 -0.54 1.57 3.64 -0.90 -0.73 116.57 120.23 1iyh h LYS 512 Ca 0.15 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1iyh h LYS 512 Cb 0.53 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 1iyh h LYS 512 CO 0.03 -0.13 0.17 1.49 -2.27 0.00 0.00 179.45 178.74 1iyh h GLU 513 N -0.20 0.80 -0.29 1.90 4.57 -1.23 -0.92 114.58 119.22 1iyh h GLU 513 Ca -0.01 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.01 1iyh h GLU 513 Cb 0.17 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1iyh h GLU 513 CO 0.00 0.69 0.10 0.37 -1.18 0.00 0.00 179.01 179.00 1iyh h GLN 514 N 0.78 0.44 -0.21 1.92 -0.00 -1.05 -1.76 115.11 115.22 1iyh h GLN 514 Ca 0.18 -0.09 -0.17 0.00 -0.00 0.00 0.00 58.65 58.57 1iyh h GLN 514 Cb 0.22 -0.07 -0.00 0.00 0.00 0.00 0.00 27.48 27.63 1iyh h GLN 514 CO -0.01 0.48 -0.55 1.98 0.00 0.00 0.00 178.83 180.73 1iyh h MET 515 N 0.31 0.64 -0.28 1.69 4.05 -0.90 -2.01 114.93 118.43 1iyh h MET 515 Ca 0.09 -0.40 -0.00 0.00 -0.28 0.00 0.00 59.70 59.10 1iyh h MET 515 Cb 0.21 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1iyh h MET 515 CO -0.01 1.02 0.15 0.74 0.23 0.00 0.00 176.91 179.05 1iyh h PHE 516 N 0.49 0.38 -0.77 1.39 -1.00 -1.11 -0.13 116.94 116.19 1iyh h PHE 516 Ca 0.01 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 1iyh h PHE 516 Cb 1.11 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 40.52 1iyh h PHE 516 CO 0.05 0.31 0.32 -0.97 -1.61 0.00 0.00 178.31 176.42 1iyh h ASN 517 N 0.33 1.04 -0.13 2.17 -1.24 -1.28 -0.61 115.58 115.86 1iyh h ASN 517 Ca 0.10 -0.15 -0.01 0.00 0.71 0.00 0.00 56.30 56.95 1iyh h ASN 517 Cb 0.06 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.83 1iyh h ASN 517 CO -0.02 0.91 0.05 -0.33 -1.29 0.00 0.00 177.43 176.75 1iyh h GLU 518 N 1.11 0.19 -0.50 6.67 4.39 -1.03 -0.23 114.58 125.18 1iyh h GLU 518 Ca 0.26 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.89 1iyh h GLU 518 Cb 0.18 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1iyh h GLU 518 CO -0.02 0.30 0.18 -0.07 -1.16 0.00 0.00 179.01 178.24 1iyh h LEU 519 N 0.05 0.71 -0.25 1.33 3.38 -0.81 -1.52 115.31 118.19 1iyh h LEU 519 Ca 0.04 -0.18 -0.21 0.00 0.09 0.00 0.00 57.88 57.62 1iyh h LEU 519 Cb 0.18 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1iyh h LEU 519 CO -0.00 0.70 -0.88 -0.07 0.09 0.00 0.00 178.44 178.27 1iyh h LEU 520 N 0.67 0.45 0.09 1.67 3.38 -1.08 0.25 115.31 120.73 1iyh h LEU 520 Ca 0.17 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 1iyh h LEU 520 Cb 0.23 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.85 1iyh h LEU 520 CO -0.01 1.13 -0.53 0.74 0.09 0.00 0.00 178.44 179.86 1iyh h THR 521 N 0.21 1.60 0.00 0.22 2.02 -1.04 -3.38 112.91 112.53 1iyh h THR 521 Ca -0.06 -2.44 -0.06 0.00 0.77 0.00 0.00 66.41 64.63 1iyh h THR 521 Cb 1.50 3.22 -0.01 0.00 -1.74 0.00 0.00 68.15 71.13 1iyh h THR 521 CO 0.15 0.67 -1.00 -1.22 0.37 0.00 0.00 175.52 174.49 1iyh n TYR 522 N -4.29 0.35 -0.05 3.16 4.02 -0.58 -4.63 117.16 115.14 1iyh n TYR 522 Ca -0.12 0.15 -0.12 0.00 -0.01 0.00 0.00 57.90 57.80 1iyh n TYR 522 Cb 0.70 -0.66 -0.06 0.00 -0.02 0.00 0.00 39.34 39.29 1iyh n TYR 522 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1iyh h ASN 523 N -1.00 0.25 -0.52 7.72 4.21 -1.50 -3.33 115.58 121.41 1iyh h ASN 523 Ca -0.08 -0.34 0.10 0.00 1.21 0.00 0.00 56.30 57.19 1iyh h ASN 523 Cb 0.92 -0.07 -0.10 0.00 -1.12 0.00 0.00 38.32 37.95 1iyh h ASN 523 CO -0.05 0.53 -0.10 0.00 -1.29 0.00 0.00 177.43 176.53 1iyh h ALA 524 N 0.73 0.38 -0.98 -0.83 0.00 -0.69 -1.62 119.26 116.25 1iyh h ALA 524 Ca 0.04 0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.23 1iyh h ALA 524 Cb 0.42 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1iyh h ALA 524 CO 0.01 -0.43 0.63 -1.35 0.00 0.00 0.00 179.25 178.11 1iyh h PRO 525 N 0.03 1.02 -0.44 0.00 0.11 -1.77 0.35 132.00 131.30 1iyh h PRO 525 Ca 0.25 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.27 1iyh h PRO 525 Cb 0.39 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 1iyh h PRO 525 CO -0.51 0.68 0.14 0.45 -0.21 0.00 0.00 178.00 178.55 1iyh h HIS 526 N 1.05 0.71 -0.51 0.65 3.86 -1.43 -1.45 115.15 118.04 1iyh h HIS 526 Ca 0.45 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.53 1iyh h HIS 526 Cb 0.33 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 1iyh h HIS 526 CO -0.00 0.64 0.10 1.25 0.86 0.00 0.00 177.93 180.79 1iyh h LEU 527 N 0.58 0.79 -0.87 2.43 5.85 -0.80 -1.46 115.31 121.83 1iyh h LEU 527 Ca 0.14 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1iyh h LEU 527 Cb 0.27 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1iyh h LEU 527 CO -0.00 0.84 0.57 0.24 -0.34 0.00 0.00 178.44 179.74 1iyh h MET 528 N 0.72 1.12 -0.45 1.25 2.86 -0.77 0.82 114.93 120.49 1iyh h MET 528 Ca 0.16 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.67 1iyh h MET 528 Cb 0.37 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1iyh h MET 528 CO 0.01 0.74 0.03 0.37 1.06 0.00 0.00 176.91 179.11 1iyh h GLN 529 N 1.15 0.77 -0.78 1.72 5.75 -1.01 -0.53 115.11 122.18 1iyh h GLN 529 Ca 0.32 -0.23 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 1iyh h GLN 529 Cb -0.10 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.34 1iyh h GLN 529 CO -0.08 0.82 0.41 -0.44 -2.65 0.00 0.00 178.83 176.88 1iyh h ASP 530 N 0.62 0.99 -0.41 -0.69 3.32 -0.71 -1.16 116.42 118.38 1iyh h ASP 530 Ca 0.13 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 1iyh h ASP 530 Cb 0.45 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1iyh h ASP 530 CO 0.02 0.82 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.25 1iyh h LEU 531 N 1.09 0.74 -0.64 1.55 3.38 -0.65 -0.90 115.31 119.88 1iyh h LEU 531 Ca 0.27 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1iyh h LEU 531 Cb 0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1iyh h LEU 531 CO -0.04 0.90 0.27 -0.78 0.09 0.00 0.00 178.44 178.88 1iyh h ASP 532 N 0.58 0.87 -0.63 -0.43 -0.00 -0.87 -0.11 116.42 115.83 1iyh h ASP 532 Ca 0.11 -0.16 -0.08 0.00 -0.00 0.00 0.00 57.03 56.90 1iyh h ASP 532 Cb 0.54 -0.23 -0.02 0.00 -0.00 0.00 0.00 39.33 39.62 1iyh h ASP 532 CO 0.03 0.79 0.07 0.74 -0.00 0.00 0.00 179.24 180.87 1iyh h THR 533 N 0.89 1.26 -0.53 2.25 2.02 -1.12 0.47 112.91 118.16 1iyh h THR 533 Ca 0.22 -1.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 1iyh h THR 533 Cb 0.18 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1iyh h THR 533 CO -0.02 0.39 0.23 0.22 0.37 0.00 0.00 175.52 176.71 1iyh h TYR 534 N 0.98 0.79 -0.38 3.16 3.20 -0.76 -3.01 116.97 120.95 1iyh h TYR 534 Ca 0.19 -0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.89 1iyh h TYR 534 Cb 0.48 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1iyh h TYR 534 CO 0.04 0.64 -0.23 1.25 -1.64 0.00 0.00 178.16 178.21 1iyh h LEU 535 N 0.71 0.85 0.00 2.82 5.85 -0.81 -3.48 115.31 121.25 1iyh h LEU 535 Ca 0.18 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1iyh h LEU 535 Cb 0.17 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1iyh h LEU 535 CO -0.02 1.09 0.00 0.61 -0.34 0.00 0.00 178.44 179.78 1iyh n GLY 536 N -0.01 2.72 1.57 3.75 0.00 0.14 -2.26 105.19 111.10 1iyh n GLY 536 Ca -0.02 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.67 1iyh n GLY 536 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iyh n GLY 537 N 0.00 2.58 3.85 -0.02 0.00 -1.26 -4.98 105.19 105.36 1iyh n GLY 537 Ca 0.00 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1iyh n GLY 537 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iyh s ARG 538 N -2.20 3.64 0.13 1.61 0.52 -0.96 -5.00 118.95 116.69 1iyh s ARG 538 Ca 0.45 0.89 -0.12 0.00 -0.52 0.00 0.00 55.73 56.43 1iyh s ARG 538 Cb 0.32 -2.09 -0.05 0.00 0.52 0.00 0.00 34.95 33.65 1iyh s ARG 538 CO 0.17 -0.53 1.46 0.93 0.02 0.00 0.00 175.30 177.34 1iyh h GLU 539 N 0.16 0.89 -5.28 3.54 5.08 -1.88 -3.46 114.58 113.62 1iyh h GLU 539 Ca -0.45 -0.48 -0.45 0.00 -1.00 0.00 0.00 59.36 56.98 1iyh h GLU 539 Cb 1.19 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 30.32 1iyh h GLU 539 CO 0.61 1.12 -0.64 -1.58 -1.00 0.00 0.00 179.01 177.52 1iyh s TRP 540 N -4.37 1.85 0.18 4.33 0.52 -1.26 -4.88 118.94 115.31 1iyh s TRP 540 Ca -0.11 -0.86 -0.10 0.00 0.02 0.00 0.00 56.10 55.05 1iyh s TRP 540 Cb 0.11 -1.12 0.09 0.00 -1.15 0.00 0.00 33.47 31.39 1iyh s TRP 540 CO 0.87 0.09 1.69 -0.07 0.02 0.00 0.00 176.95 179.56 1iyh h LEU 541 N 2.27 0.99 -8.06 2.99 3.38 -1.89 -3.43 115.31 111.55 1iyh h LEU 541 Ca -0.40 -0.24 -0.52 0.00 0.09 0.00 0.00 57.88 56.81 1iyh h LEU 541 Cb 1.23 -0.26 -0.32 0.00 0.09 0.00 0.00 40.66 41.40 1iyh h LEU 541 CO 0.68 0.97 -0.82 -0.63 0.09 0.00 0.00 178.44 178.73 1iyh s ILE 542 N -5.29 1.21 0.00 1.22 1.09 -1.26 -4.88 121.20 113.28 1iyh s ILE 542 Ca -0.12 -0.55 0.00 0.00 -1.10 0.00 0.00 60.65 58.88 1iyh s ILE 542 Cb 0.14 -1.07 0.00 0.00 -1.06 0.00 0.00 42.46 40.46 1iyh s ILE 542 CO 0.83 0.36 0.00 0.61 -0.10 0.00 0.00 174.94 176.65 1iyh n GLY 543 N 3.54 0.03 0.93 6.18 0.00 -1.26 -4.13 105.19 110.47 1iyh n GLY 543 Ca -0.21 -0.98 0.07 0.00 0.00 0.00 0.00 46.02 44.90 1iyh n GLY 543 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1iyh n MET 544 N 0.00 3.02 -3.88 1.61 0.00 -1.26 -4.57 117.12 112.04 1iyh n MET 544 Ca 0.00 -2.42 -0.09 0.00 0.00 0.00 0.00 57.70 55.19 1iyh n MET 544 Cb 0.00 -1.52 -0.07 0.00 0.00 0.00 0.00 33.22 31.62 1iyh n MET 544 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1iyh s SER 545 N -1.17 0.11 0.36 3.17 1.04 -1.26 -4.94 113.70 111.02 1iyh s SER 545 Ca 0.34 -0.71 -0.28 0.00 0.48 0.00 0.00 55.95 55.79 1iyh s SER 545 Cb 0.21 0.36 -0.11 0.00 0.10 0.00 0.00 66.02 66.58 1iyh s SER 545 CO 0.18 -0.76 1.45 0.54 0.98 0.00 0.00 173.24 175.63 1iyh s VAL 546 N -3.89 2.20 0.33 5.02 0.11 -1.26 -4.73 120.40 118.18 1iyh s VAL 546 Ca 0.08 0.20 0.03 0.00 -2.93 0.00 0.00 61.98 59.35 1iyh s VAL 546 Cb 0.05 -3.13 -0.05 0.00 -1.53 0.00 0.00 36.38 31.72 1iyh s VAL 546 CO -0.09 0.05 0.10 0.42 -3.33 0.00 0.00 175.10 172.25 1iyh s THR 547 N -1.08 0.78 -1.00 5.04 -4.23 -1.26 -4.56 115.64 109.34 1iyh s THR 547 Ca 0.52 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.16 1iyh s THR 547 Cb -0.45 -2.61 0.11 0.00 1.34 0.00 0.00 72.50 70.89 1iyh s THR 547 CO 0.60 0.00 1.42 -2.67 -0.54 0.00 0.00 174.62 173.43 1iyh n TRP 548 N -0.68 0.01 0.02 3.99 4.27 -0.93 -1.41 117.44 122.70 1iyh n TRP 548 Ca -0.02 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.52 1iyh n TRP 548 Cb 0.66 -0.50 0.11 0.00 -1.36 0.00 0.00 31.31 30.22 1iyh n TRP 548 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1iyh h ALA 549 N 2.45 0.86 -0.44 -1.67 0.00 -1.86 -0.55 119.26 118.04 1iyh h ALA 549 Ca 0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 1iyh h ALA 549 Cb 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1iyh h ALA 549 CO 0.00 0.65 -0.24 -0.44 0.00 0.00 0.00 179.25 179.22 1iyh h ASP 550 N 0.40 0.95 -0.28 0.00 5.19 -1.64 -1.68 116.42 119.36 1iyh h ASP 550 Ca 0.03 -0.37 0.01 0.00 -0.62 0.00 0.00 57.03 56.08 1iyh h ASP 550 Cb 0.94 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 1iyh h ASP 550 CO 0.08 1.14 0.17 -0.26 -3.12 0.00 0.00 179.24 177.26 1iyh h PHE 551 N 0.79 0.32 -0.55 4.55 -1.00 -1.44 -2.12 116.94 117.50 1iyh h PHE 551 Ca 0.10 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.86 1iyh h PHE 551 Cb 0.81 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 40.24 1iyh h PHE 551 CO 0.05 0.20 0.24 -0.92 -1.61 0.00 0.00 178.31 176.27 1iyh h TYR 552 N 0.35 0.78 -0.32 -0.55 3.20 -0.83 -0.98 116.97 118.62 1iyh h TYR 552 Ca 0.10 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1iyh h TYR 552 Cb -0.02 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 1iyh h TYR 552 CO -0.07 0.59 0.15 2.35 -1.64 0.00 0.00 178.16 179.54 1iyh h TRP 553 N 0.78 0.47 -0.46 -3.82 2.91 -0.92 0.14 115.95 115.04 1iyh h TRP 553 Ca 0.19 -0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.22 1iyh h TRP 553 Cb 0.12 -0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 28.58 1iyh h TRP 553 CO 0.01 0.42 0.23 1.49 -1.03 0.00 0.00 178.44 179.57 1iyh h GLU 554 N 0.38 0.45 -0.09 2.65 4.57 -0.74 0.35 114.58 122.15 1iyh h GLU 554 Ca 0.11 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1iyh h GLU 554 Cb 0.14 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1iyh h GLU 554 CO -0.01 0.30 -0.01 0.82 -1.18 0.00 0.00 179.01 178.92 1iyh h ILE 555 N 0.46 1.27 -0.11 2.32 2.04 -0.95 -2.25 117.51 120.29 1iyh h ILE 555 Ca 0.20 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1iyh h ILE 555 Cb 0.11 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1iyh h ILE 555 CO -0.14 0.25 0.05 0.00 0.00 0.00 0.00 178.15 178.31 1iyh h SER 557 N 0.05 0.28 -0.49 0.00 4.64 -0.98 -2.02 113.55 115.03 1iyh h SER 557 Ca 0.04 -0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1iyh h SER 557 Cb 0.12 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 1iyh h SER 557 CO -0.00 0.37 0.27 0.74 -0.87 0.00 0.00 176.83 177.34 1iyh h THR 558 N 0.29 1.01 -0.18 2.95 2.02 -1.22 0.14 112.91 117.92 1iyh h THR 558 Ca 0.07 -0.19 -0.16 0.00 0.77 0.00 0.00 66.41 66.90 1iyh h THR 558 Cb 0.28 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1iyh h THR 558 CO 0.01 0.10 -0.56 0.74 0.37 0.00 0.00 175.52 176.18 1iyh h THR 559 N 0.54 1.32 -0.64 3.16 2.02 -1.39 -3.08 112.91 114.85 1iyh h THR 559 Ca 0.20 -1.82 -0.08 0.00 0.77 0.00 0.00 66.41 65.49 1iyh h THR 559 Cb 0.06 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 1iyh h THR 559 CO -0.11 0.56 0.09 -0.07 0.37 0.00 0.00 175.52 176.36 1iyh h LEU 560 N 0.43 1.02 -2.33 2.58 3.38 -0.92 -2.54 115.31 116.93 1iyh h LEU 560 Ca 0.01 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1iyh h LEU 560 Cb 1.11 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1iyh h LEU 560 CO 0.11 1.02 -0.00 -0.07 0.09 0.00 0.00 178.44 179.58 1iyh h LEU 561 N 0.99 0.00 -0.74 1.67 3.38 -0.65 -0.66 115.31 119.30 1iyh h LEU 561 Ca 0.19 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 1iyh h LEU 561 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1iyh h LEU 561 CO 0.01 0.00 -0.23 0.58 0.09 0.00 0.00 178.44 178.90 1iyh h VAL 562 N 0.00 1.27 0.00 1.22 2.07 -1.38 -2.84 116.25 116.59 1iyh h VAL 562 Ca -0.00 -1.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.15 1iyh h VAL 562 Cb 0.22 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1iyh h VAL 562 CO 0.00 0.44 -1.74 0.49 0.02 0.00 0.00 177.57 176.78 1iyh n PHE 563 N -4.11 0.32 -3.32 1.57 3.01 -0.88 -4.72 117.46 109.33 1iyh n PHE 563 Ca 0.00 0.10 -0.24 0.00 1.01 0.00 0.00 57.45 58.31 1iyh n PHE 563 Cb 0.43 -0.70 -0.09 0.00 -0.01 0.00 0.00 39.48 39.11 1iyh n PHE 563 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1iyh s LYS 564 N -3.35 0.90 0.62 -1.08 2.20 -0.31 -5.00 119.74 113.72 1iyh s LYS 564 Ca -0.06 -1.93 0.33 0.00 -0.36 0.00 0.00 55.97 53.95 1iyh s LYS 564 Cb 0.12 -1.23 1.89 0.00 -1.51 0.00 0.00 37.83 37.10 1iyh s LYS 564 CO 0.87 -1.37 2.19 -1.00 -0.36 0.00 0.00 175.35 175.67 1iyh h PRO 565 N 5.63 0.00 -0.43 4.03 0.13 -1.75 -1.48 132.00 138.13 1iyh h PRO 565 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1iyh h PRO 565 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1iyh h PRO 565 CO 0.32 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.69 1iyh n ASP 566 N -3.53 2.38 -0.31 1.44 5.75 -1.26 -4.50 116.55 116.53 1iyh n ASP 566 Ca -0.01 -1.98 0.14 0.00 -0.01 0.00 0.00 54.79 52.93 1iyh n ASP 566 Cb 0.21 -0.29 0.31 0.00 -1.03 0.00 0.00 41.12 40.32 1iyh n ASP 566 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1iyh h LEU 567 N 2.65 -0.06 -3.38 -2.12 5.85 -1.65 -2.26 115.31 114.34 1iyh h LEU 567 Ca 0.00 0.21 -0.11 0.00 0.84 0.00 0.00 57.88 58.82 1iyh h LEU 567 Cb 0.60 0.30 -0.07 0.00 0.37 0.00 0.00 40.66 41.87 1iyh h LEU 567 CO 0.00 -0.20 0.03 0.18 -0.34 0.00 0.00 178.44 178.11 1iyh n LEU 568 N -5.27 4.34 0.27 2.25 4.77 -1.26 -4.68 117.00 117.43 1iyh n LEU 568 Ca 0.22 -3.34 0.14 0.00 -0.03 0.00 0.00 56.01 53.01 1iyh n LEU 568 Cb 0.73 -0.61 0.76 0.00 -2.33 0.00 0.00 43.42 41.97 1iyh n LEU 568 CO 0.04 0.91 0.99 0.44 -1.33 0.00 0.00 177.39 178.44 1iyh h ASP 569 N 1.57 0.00 -0.50 -1.43 5.19 -1.72 -2.05 116.42 117.49 1iyh h ASP 569 Ca 0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1iyh h ASP 569 Cb 1.69 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.20 1iyh h ASP 569 CO 0.38 0.10 0.00 0.59 -3.12 0.00 0.00 179.24 177.18 1iyh n ASN 570 N -3.49 3.41 -3.28 6.45 5.03 -1.26 -4.70 115.26 117.42 1iyh n ASN 570 Ca -0.01 -1.97 -0.25 0.00 0.87 0.00 0.00 54.58 53.22 1iyh n ASN 570 Cb 0.24 -0.33 -0.08 0.00 -1.02 0.00 0.00 39.78 38.59 1iyh n ASN 570 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1iyh n HIS 571 N 1.19 0.81 -0.31 3.10 8.25 -0.77 -4.95 115.22 122.55 1iyh n HIS 571 Ca 0.18 -3.73 0.06 0.00 -0.26 0.00 0.00 57.72 53.97 1iyh n HIS 571 Cb 0.54 -0.38 0.27 0.00 1.12 0.00 0.00 29.99 31.53 1iyh n HIS 571 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1iyh h PRO 572 N 4.16 0.93 0.00 -0.41 0.13 -1.84 -1.62 132.00 133.35 1iyh h PRO 572 Ca 0.12 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1iyh h PRO 572 Cb 0.82 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 1iyh h PRO 572 CO 0.57 0.62 -0.01 0.00 -0.23 0.00 0.00 178.00 178.95 1iyh h ARG 573 N 0.96 0.00 0.00 0.86 3.08 -1.93 0.40 114.38 117.75 1iyh h ARG 573 Ca 0.43 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.31 1iyh h ARG 573 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1iyh h ARG 573 CO -0.18 0.01 -0.77 -0.07 -1.07 0.00 0.00 179.97 177.89 1iyh h LEU 574 N 0.00 0.00 -0.11 3.04 3.38 -1.68 -2.63 115.31 117.31 1iyh h LEU 574 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1iyh h LEU 574 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1iyh h LEU 574 CO 0.00 0.77 -0.22 0.58 0.09 0.00 0.00 178.44 179.65 1iyh h VAL 575 N 0.00 1.38 -0.78 1.22 2.07 -0.84 -2.85 116.25 116.46 1iyh h VAL 575 Ca -0.01 -1.51 0.03 0.00 0.82 0.00 0.00 66.70 66.04 1iyh h VAL 575 Cb 1.55 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 33.37 1iyh h VAL 575 CO 0.10 0.44 0.51 0.74 0.02 0.00 0.00 177.57 179.38 1iyh h THR 576 N -0.08 1.13 -0.63 2.57 2.02 -1.00 -1.43 112.91 115.49 1iyh h THR 576 Ca 0.00 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 1iyh h THR 576 Cb 0.81 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1iyh h THR 576 CO 0.05 0.18 0.20 0.25 0.37 0.00 0.00 175.52 176.56 1iyh h LEU 577 N 0.96 0.92 -0.54 2.58 5.85 -1.45 0.11 115.31 123.74 1iyh h LEU 577 Ca 0.31 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1iyh h LEU 577 Cb 0.03 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 1iyh h LEU 577 CO -0.09 0.88 0.32 0.03 -0.34 0.00 0.00 178.44 179.25 1iyh h ARG 578 N 0.91 0.62 -0.36 1.25 3.08 -1.08 -2.08 114.38 116.73 1iyh h ARG 578 Ca 0.20 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 1iyh h ARG 578 Cb 0.29 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1iyh h ARG 578 CO -0.01 0.41 -0.13 0.87 -1.07 0.00 0.00 179.97 180.04 1iyh h LYS 579 N 0.64 0.63 -0.52 0.04 6.56 -0.81 -1.80 116.57 121.31 1iyh h LYS 579 Ca 0.22 -0.20 -0.07 0.00 -1.06 0.00 0.00 60.65 59.54 1iyh h LYS 579 Cb 0.03 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.61 1iyh h LYS 579 CO -0.10 0.74 0.04 -0.22 -2.06 0.00 0.00 179.45 177.86 1iyh h LYS 580 N 0.57 0.85 -0.24 3.15 3.64 -0.36 -1.13 116.57 123.06 1iyh h LYS 580 Ca 0.10 -0.22 -0.16 0.00 -1.27 0.00 0.00 60.65 59.10 1iyh h LYS 580 Cb 0.56 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1iyh h LYS 580 CO 0.04 0.82 -0.47 0.28 -2.27 0.00 0.00 179.45 177.84 1iyh h VAL 581 N 0.80 1.30 0.00 2.00 2.07 -1.09 -3.04 116.25 118.30 1iyh h VAL 581 Ca 0.16 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 1iyh h VAL 581 Cb 0.42 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1iyh h VAL 581 CO 0.01 0.53 -0.10 1.56 0.02 0.00 0.00 177.57 179.60 1iyh h GLN 582 N 0.48 0.00 0.00 1.57 4.20 -1.15 -2.71 115.11 117.50 1iyh h GLN 582 Ca 0.01 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1iyh h GLN 582 Cb 1.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.85 1iyh h GLN 582 CO 0.11 0.10 -0.14 0.00 -0.67 0.00 0.00 178.83 178.22 1iyh h ALA 583 N 1.90 0.92 -2.29 3.87 0.00 -1.09 -3.23 119.26 119.35 1iyh h ALA 583 Ca -0.00 -0.13 -0.54 0.00 0.00 0.00 0.00 54.91 54.24 1iyh h ALA 583 Cb 0.50 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.29 1iyh h ALA 583 CO 0.01 0.17 1.24 -0.89 0.00 0.00 0.00 179.25 179.79 1iyh n ILE 584 N -3.16 0.73 -0.32 0.00 5.41 -1.02 -4.79 119.36 116.21 1iyh n ILE 584 Ca 0.03 -0.16 -0.06 0.00 1.00 0.00 0.00 62.75 63.55 1iyh n ILE 584 Cb 0.54 -2.29 -0.05 0.00 -0.71 0.00 0.00 39.64 37.13 1iyh n ILE 584 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1iyh n PRO 585 N 7.55 -0.30 -0.33 0.38 -0.02 -1.26 -0.56 135.00 140.45 1iyh n PRO 585 Ca 0.21 1.18 -0.02 0.00 -2.02 0.00 0.00 63.50 62.85 1iyh n PRO 585 Cb 0.40 -1.74 0.13 0.00 -0.02 0.00 0.00 33.50 32.27 1iyh n PRO 585 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iyh h ALA 586 N 0.58 1.28 -0.11 3.55 0.00 -1.89 -0.75 119.26 121.93 1iyh h ALA 586 Ca 0.17 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1iyh h ALA 586 Cb 0.36 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1iyh h ALA 586 CO -0.74 0.64 -0.18 0.28 0.00 0.00 0.00 179.25 179.24 1iyh h VAL 587 N 1.27 1.38 -0.99 0.00 2.07 -1.39 -2.52 116.25 116.08 1iyh h VAL 587 Ca 0.34 -1.45 0.08 0.00 0.82 0.00 0.00 66.70 66.49 1iyh h VAL 587 Cb -0.10 2.08 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 1iyh h VAL 587 CO -0.07 0.42 0.64 0.00 0.02 0.00 0.00 177.57 178.57 1iyh h ALA 588 N 0.53 1.46 -0.62 1.67 0.00 -0.61 0.17 119.26 121.85 1iyh h ALA 588 Ca 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1iyh h ALA 588 Cb 0.76 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1iyh h ALA 588 CO 0.04 0.38 0.22 -0.97 0.00 0.00 0.00 179.25 178.91 1iyh h ASN 589 N 1.11 0.89 -0.01 0.00 -1.24 -1.09 -2.04 115.58 113.20 1iyh h ASN 589 Ca 0.44 -0.19 -0.00 0.00 0.71 0.00 0.00 56.30 57.26 1iyh h ASN 589 Cb 0.25 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 39.07 1iyh h ASN 589 CO -0.19 0.84 -0.00 -0.25 -1.29 0.00 0.00 177.43 176.54 1iyh h TRP 590 N 0.88 0.01 -0.84 0.67 2.91 -0.80 -2.42 115.95 116.37 1iyh h TRP 590 Ca 0.20 -0.00 0.17 0.00 1.13 0.00 0.00 58.89 60.39 1iyh h TRP 590 Cb 0.26 -0.00 -0.11 0.00 -0.51 0.00 0.00 29.16 28.79 1iyh h TRP 590 CO 0.02 0.38 0.36 0.82 -1.03 0.00 0.00 178.44 178.99 1iyh h ILE 591 N -0.35 0.60 0.00 2.65 2.04 -0.57 0.26 117.51 122.14 1iyh h ILE 591 Ca 0.00 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 1iyh h ILE 591 Cb 0.37 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1iyh h ILE 591 CO 0.00 0.08 -0.26 0.07 0.00 0.00 0.00 178.15 178.04 1iyh h LYS 592 N 0.46 0.00 0.00 2.37 2.10 -1.36 -3.31 116.57 116.84 1iyh h LYS 592 Ca 0.48 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 59.09 1iyh h LYS 592 Cb 0.81 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.13 1iyh h LYS 592 CO -0.45 0.26 -1.39 0.54 -2.00 0.00 0.00 179.45 176.41 1iyh n ARG 593 N -3.20 0.63 -1.59 0.07 3.00 -0.27 -4.99 116.66 110.31 1iyh n ARG 593 Ca 0.02 0.06 -0.33 0.00 -0.01 0.00 0.00 57.85 57.59 1iyh n ARG 593 Cb 0.60 -1.73 0.07 0.00 0.00 0.00 0.00 32.46 31.39 1iyh n ARG 593 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1iyh s ARG 594 N -3.28 2.52 0.31 5.56 1.70 0.76 -4.96 118.95 121.56 1iyh s ARG 594 Ca -0.03 1.46 -0.30 0.00 -0.47 0.00 0.00 55.73 56.39 1iyh s ARG 594 Cb 0.10 -1.91 -0.12 0.00 -0.57 0.00 0.00 34.95 32.46 1iyh s ARG 594 CO 0.83 -1.48 1.58 -2.30 -1.08 0.00 0.00 175.30 172.85 1iyh n PRO 595 N -2.67 2.70 -2.69 3.89 -0.02 -1.26 -4.92 135.00 130.02 1iyh n PRO 595 Ca 0.11 0.96 -0.42 0.00 -2.02 0.00 0.00 63.50 62.12 1iyh n PRO 595 Cb 0.52 -2.73 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 1iyh n PRO 595 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1iyh s GLN 596 N -0.73 3.37 0.17 -0.52 2.00 -1.26 -4.95 119.66 117.74 1iyh s GLN 596 Ca 0.62 -0.08 0.06 0.00 -2.00 0.00 0.00 55.36 53.96 1iyh s GLN 596 Cb -0.49 -4.07 -0.05 0.00 0.80 0.00 0.00 33.01 29.21 1iyh s GLN 596 CO 0.51 -1.68 -0.12 0.95 -0.50 0.00 0.00 175.29 174.44 1iyh s THR 597 N 4.63 1.42 0.02 -0.34 -4.23 -1.26 -5.07 115.64 110.81 1iyh s THR 597 Ca 0.36 -2.12 -0.25 0.00 -1.18 0.00 0.00 61.69 58.50 1iyh s THR 597 Cb -0.10 -1.92 -0.18 0.00 1.34 0.00 0.00 72.50 71.64 1iyh s THR 597 CO 0.21 -0.67 1.39 0.50 -0.54 0.00 0.00 174.62 175.50 1iyh h LYS 598 N 2.71 -0.16 -0.01 3.99 3.64 -1.94 -3.48 116.57 121.32 1iyh h LYS 598 Ca -0.37 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1iyh h LYS 598 Cb 1.20 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1iyh h LYS 598 CO 0.62 0.14 0.00 1.28 -2.27 0.00 0.00 179.45 179.22