#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p69 h PRO 404 N 0.00 0.00 -6.04 1.09 0.11 -2.04 -3.45 132.00 121.67 1p69 h PRO 404 Ca 0.00 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.55 1p69 h PRO 404 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 1p69 h PRO 404 CO 0.00 0.38 -0.55 1.52 -0.21 0.00 0.00 178.00 179.14 1p69 s TYR 405 N -3.81 2.65 -0.37 0.65 -0.85 -1.26 -4.56 117.35 109.79 1p69 s TYR 405 Ca -0.01 -0.44 -0.12 0.00 -0.52 0.00 0.00 57.07 55.99 1p69 s TYR 405 Cb 0.12 -1.66 0.02 0.00 0.38 0.00 0.00 41.96 40.82 1p69 s TYR 405 CO 0.69 0.34 0.22 0.34 -1.52 0.00 0.00 175.55 175.62 1p69 s ASP 406 N -3.82 5.80 0.00 -0.18 2.15 0.78 -4.96 116.67 116.44 1p69 s ASP 406 Ca 0.38 -0.86 0.14 0.00 0.43 0.00 0.00 52.55 52.64 1p69 s ASP 406 Cb -0.01 -2.05 0.61 0.00 -0.30 0.00 0.00 42.92 41.17 1p69 s ASP 406 CO 0.22 -0.35 1.43 -0.81 -0.17 0.00 0.00 175.17 175.48 1p69 n PRO 407 N 5.03 0.04 -0.04 4.34 -0.04 -1.26 -2.56 135.00 140.52 1p69 n PRO 407 Ca -0.12 0.24 0.12 0.00 -0.04 0.00 0.00 63.50 63.70 1p69 n PRO 407 Cb 0.47 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.63 1p69 n PRO 407 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1p69 n LEU 408 N -1.46 2.79 -4.03 1.53 4.77 -1.26 -4.91 117.00 114.42 1p69 n LEU 408 Ca 0.04 -0.99 -0.21 0.00 -0.03 0.00 0.00 56.01 54.81 1p69 n LEU 408 Cb 0.15 -0.05 -0.15 0.00 -2.33 0.00 0.00 43.42 41.04 1p69 n LEU 408 CO 0.12 0.50 -0.45 -0.89 -1.33 0.00 0.00 177.39 175.34 1p69 s THR 409 N -1.90 0.92 -0.10 -5.08 2.01 -1.06 -0.53 115.64 109.89 1p69 s THR 409 Ca 0.32 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.88 1p69 s THR 409 Cb 0.21 -0.80 0.02 0.00 0.01 0.00 0.00 72.50 71.93 1p69 s THR 409 CO 0.31 0.28 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.65 1p69 s LEU 410 N 0.11 1.42 0.31 4.42 1.43 0.18 -2.89 118.68 123.67 1p69 s LEU 410 Ca -0.02 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.70 1p69 s LEU 410 Cb -0.09 -0.90 -0.00 0.00 0.03 0.00 0.00 46.19 45.24 1p69 s LEU 410 CO 0.01 -0.05 0.45 -1.66 0.23 0.00 0.00 176.35 175.32 1p69 s TRP 411 N 1.31 0.93 -2.21 0.29 1.48 -0.91 0.09 118.94 119.91 1p69 s TRP 411 Ca -0.02 -1.19 0.22 0.00 -1.06 0.00 0.00 56.10 54.06 1p69 s TRP 411 Cb -0.14 -0.06 0.54 0.00 -1.16 0.00 0.00 33.47 32.66 1p69 s TRP 411 CO -0.04 -1.08 1.47 0.25 -4.06 0.00 0.00 176.95 173.49 1p69 n THR 412 N -0.51 0.71 0.00 0.66 -2.24 -0.48 -2.80 114.28 109.63 1p69 n THR 412 Ca 0.00 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1p69 n THR 412 Cb 0.62 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1p69 n THR 412 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1p69 n THR 413 N 1.45 0.00 0.11 4.28 -2.24 -1.26 -4.38 114.28 112.24 1p69 n THR 413 Ca 0.21 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 62.01 1p69 n THR 413 Cb 0.58 0.00 0.37 0.00 -2.10 0.00 0.00 70.33 69.18 1p69 n THR 413 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1p69 h PRO 414 N 0.00 0.24 -2.16 -0.78 0.13 -1.95 -3.36 132.00 124.13 1p69 h PRO 414 Ca 0.00 -0.06 -0.55 0.00 -0.87 0.00 0.00 66.00 64.52 1p69 h PRO 414 Cb 0.00 -0.03 -0.41 0.00 0.13 0.00 0.00 31.00 30.69 1p69 h PRO 414 CO 0.00 0.40 -0.86 -0.40 -0.23 0.00 0.00 178.00 176.91 1p69 n ASP 415 N -4.24 2.85 -4.71 1.44 5.75 -1.26 -4.98 116.55 111.40 1p69 n ASP 415 Ca -0.01 -3.36 -0.33 0.00 -0.01 0.00 0.00 54.79 51.08 1p69 n ASP 415 Cb 0.29 -0.60 0.11 0.00 -1.03 0.00 0.00 41.12 39.90 1p69 n ASP 415 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1p69 s PRO 416 N -2.86 1.83 0.48 0.11 0.04 -1.26 -5.02 135.00 128.32 1p69 s PRO 416 Ca 0.44 1.64 0.03 0.00 0.04 0.00 0.00 61.00 63.15 1p69 s PRO 416 Cb 0.28 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 33.03 1p69 s PRO 416 CO -0.10 -2.04 0.68 -1.12 0.04 0.00 0.00 177.00 174.45 1p69 s SER 417 N -2.35 5.54 -0.01 6.66 0.01 -1.26 -4.91 113.70 117.38 1p69 s SER 417 Ca 0.71 -0.07 -0.35 0.00 1.31 0.00 0.00 55.95 57.55 1p69 s SER 417 Cb -0.26 -0.98 -0.13 0.00 0.21 0.00 0.00 66.02 64.86 1p69 s SER 417 CO 0.50 -0.90 1.72 -2.65 0.41 0.00 0.00 173.24 172.33 1p69 n PRO 418 N -2.11 2.00 -0.16 12.44 -0.02 -1.26 -4.71 135.00 141.18 1p69 n PRO 418 Ca 0.06 0.73 0.03 0.00 -2.02 0.00 0.00 63.50 62.30 1p69 n PRO 418 Cb 0.59 -2.52 0.05 0.00 -0.02 0.00 0.00 33.50 31.60 1p69 n PRO 418 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1p69 n ASN 419 N 5.12 1.24 -3.94 2.55 6.94 0.13 -4.94 115.26 122.35 1p69 n ASN 419 Ca 0.21 -2.21 -0.10 0.00 -0.02 0.00 0.00 54.58 52.46 1p69 n ASN 419 Cb 0.27 -0.20 -0.12 0.00 -2.36 0.00 0.00 39.78 37.37 1p69 n ASN 419 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1p69 n SER 421 N 1.94 3.01 0.05 0.00 7.64 -1.26 -0.77 113.62 124.23 1p69 n SER 421 Ca -0.21 -3.24 -0.12 0.00 1.01 0.00 0.00 58.87 56.31 1p69 n SER 421 Cb 0.56 -0.70 -0.08 0.00 -1.01 0.00 0.00 64.21 62.98 1p69 n SER 421 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1p69 h LEU 422 N 4.77 -0.16 0.00 -3.43 3.38 -1.92 -3.41 115.31 114.54 1p69 h LEU 422 Ca 0.17 -0.38 -0.19 0.00 0.09 0.00 0.00 57.88 57.57 1p69 h LEU 422 Cb 0.73 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1p69 h LEU 422 CO 0.74 0.36 -1.73 -0.38 0.09 0.00 0.00 178.44 177.52 1p69 n ILE 423 N -4.93 0.73 -4.19 1.22 5.41 -1.26 -5.06 119.36 111.28 1p69 n ILE 423 Ca -0.08 -0.29 -0.12 0.00 1.00 0.00 0.00 62.75 63.26 1p69 n ILE 423 Cb 0.27 -0.94 -0.10 0.00 -0.71 0.00 0.00 39.64 38.16 1p69 n ILE 423 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1p69 s GLN 424 N -2.26 1.20 0.14 0.38 -2.07 -1.26 -5.11 119.66 110.68 1p69 s GLN 424 Ca -0.16 -1.61 -0.34 0.00 -1.82 0.00 0.00 55.36 51.42 1p69 s GLN 424 Cb 0.04 0.28 -0.16 0.00 -1.09 0.00 0.00 33.01 32.08 1p69 s GLN 424 CO 0.31 -0.39 1.26 0.39 -1.32 0.00 0.00 175.29 175.54 1p69 n GLU 425 N -0.27 1.22 -3.91 9.60 -0.58 -1.26 -3.12 120.64 122.33 1p69 n GLU 425 Ca 0.02 0.44 -0.28 0.00 -0.42 0.00 0.00 57.16 56.92 1p69 n GLU 425 Cb 0.66 -2.01 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 1p69 n GLU 425 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1p69 n LEU 426 N 2.29 -0.11 -1.18 -4.62 4.77 -1.18 -4.85 117.00 112.12 1p69 n LEU 426 Ca 0.16 -0.79 0.11 0.00 -0.03 0.00 0.00 56.01 55.46 1p69 n LEU 426 Cb 0.23 -0.95 0.27 0.00 -2.33 0.00 0.00 43.42 40.64 1p69 n LEU 426 CO 0.62 0.48 0.73 -0.90 -1.33 0.00 0.00 177.39 176.99 1p69 n ASP 427 N -0.97 3.66 -3.57 -1.43 5.75 0.05 -4.80 116.55 115.24 1p69 n ASP 427 Ca -0.08 -1.99 -0.14 0.00 -0.01 0.00 0.00 54.79 52.57 1p69 n ASP 427 Cb 0.34 -0.39 -0.05 0.00 -1.03 0.00 0.00 41.12 39.99 1p69 n ASP 427 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1p69 s ALA 428 N -1.09 -1.36 -0.22 2.12 0.00 -1.10 -1.11 121.76 119.00 1p69 s ALA 428 Ca 0.42 0.67 -0.02 0.00 0.00 0.00 0.00 51.96 53.02 1p69 s ALA 428 Cb 0.22 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.69 1p69 s ALA 428 CO 0.30 -0.49 -0.08 0.15 0.00 0.00 0.00 175.76 175.64 1p69 s LYS 429 N -2.29 3.14 -0.31 0.00 1.02 -0.67 -0.70 119.74 119.93 1p69 s LYS 429 Ca -0.06 -0.77 -0.05 0.00 0.02 0.00 0.00 55.97 55.10 1p69 s LYS 429 Cb -0.01 -2.92 0.03 0.00 -0.52 0.00 0.00 37.83 34.41 1p69 s LYS 429 CO -0.00 -0.26 0.06 -1.17 -0.92 0.00 0.00 175.35 173.06 1p69 s LEU 430 N 1.40 3.98 -0.27 3.17 2.96 -1.26 -2.07 118.68 126.58 1p69 s LEU 430 Ca 0.04 -0.98 -0.09 0.00 -0.22 0.00 0.00 54.13 52.88 1p69 s LEU 430 Cb -0.15 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1p69 s LEU 430 CO -0.06 -0.25 0.13 -0.89 -1.32 0.00 0.00 176.35 173.97 1p69 s THR 431 N 1.41 4.79 -0.03 3.68 2.01 -0.28 -4.88 115.64 122.34 1p69 s THR 431 Ca -0.00 -0.03 0.01 0.00 0.31 0.00 0.00 61.69 61.97 1p69 s THR 431 Cb -0.18 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 69.07 1p69 s THR 431 CO 0.01 0.28 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.98 1p69 s LEU 432 N 1.68 1.32 -0.06 4.42 2.96 -1.26 -1.23 118.68 126.51 1p69 s LEU 432 Ca 0.07 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1p69 s LEU 432 Cb -0.16 -0.28 0.02 0.00 0.50 0.00 0.00 46.19 46.28 1p69 s LEU 432 CO 0.07 -0.07 -0.08 0.00 -1.32 0.00 0.00 176.35 174.95 1p69 s LEU 434 N 0.97 2.00 -0.09 0.00 1.43 0.11 -1.81 118.68 121.29 1p69 s LEU 434 Ca -0.10 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 52.49 1p69 s LEU 434 Cb -0.15 -1.33 0.01 0.00 0.03 0.00 0.00 46.19 44.75 1p69 s LEU 434 CO 0.00 0.08 -0.19 0.42 0.23 0.00 0.00 176.35 176.89 1p69 s THR 435 N 0.78 1.69 -0.26 5.49 -4.23 -0.42 -0.65 115.64 118.04 1p69 s THR 435 Ca -0.09 -0.80 -0.23 0.00 -1.18 0.00 0.00 61.69 59.39 1p69 s THR 435 Cb -0.16 -1.48 -0.01 0.00 1.34 0.00 0.00 72.50 72.19 1p69 s THR 435 CO 0.00 0.48 0.74 -0.75 -0.54 0.00 0.00 174.62 174.55 1p69 s LYS 436 N 0.49 4.10 -0.65 3.99 2.20 0.31 -0.82 119.74 129.36 1p69 s LYS 436 Ca -0.17 0.70 0.05 0.00 -0.36 0.00 0.00 55.97 56.18 1p69 s LYS 436 Cb -0.17 -3.67 0.16 0.00 -1.51 0.00 0.00 37.83 32.64 1p69 s LYS 436 CO 0.07 -0.51 0.43 1.21 -0.36 0.00 0.00 175.35 176.18 1p69 s ASN 437 N 1.46 4.59 1.64 1.43 2.47 0.29 -4.95 114.94 121.88 1p69 s ASN 437 Ca 0.31 -3.62 0.00 0.00 0.42 0.00 0.00 52.86 49.97 1p69 s ASN 437 Cb -0.15 -1.59 0.00 0.00 -1.45 0.00 0.00 41.25 38.06 1p69 s ASN 437 CO 0.09 -0.12 0.00 0.61 -3.72 0.00 0.00 177.10 173.96 1p69 n GLY 438 N 2.29 2.54 0.06 1.21 0.00 -1.26 -2.22 105.19 107.81 1p69 n GLY 438 Ca 0.16 -0.29 0.16 0.00 0.00 0.00 0.00 46.02 46.05 1p69 n GLY 438 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1p69 n SER 439 N 6.06 0.19 -4.23 1.61 7.64 -1.26 -4.79 113.62 118.83 1p69 n SER 439 Ca 0.00 -1.03 -0.30 0.00 1.01 0.00 0.00 58.87 58.55 1p69 n SER 439 Cb 0.00 -0.01 -0.16 0.00 -1.01 0.00 0.00 64.21 63.03 1p69 n SER 439 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1p69 s ILE 440 N -2.02 1.86 -0.19 0.44 1.01 -0.94 0.41 121.20 121.77 1p69 s ILE 440 Ca 0.46 -0.97 -0.10 0.00 0.00 0.00 0.00 60.65 60.04 1p69 s ILE 440 Cb 0.22 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 1p69 s ILE 440 CO 0.37 0.52 0.14 -0.69 0.00 0.00 0.00 174.94 175.29 1p69 s VAL 441 N -0.18 5.41 -0.23 2.92 1.01 -0.43 -0.54 120.40 128.35 1p69 s VAL 441 Ca -0.02 0.22 -0.13 0.00 0.00 0.00 0.00 61.98 62.05 1p69 s VAL 441 Cb -0.12 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1p69 s VAL 441 CO 0.03 0.44 0.27 0.20 0.00 0.00 0.00 175.10 176.04 1p69 s ASN 442 N 0.32 6.25 0.10 3.32 0.01 0.00 -2.77 114.94 122.17 1p69 s ASN 442 Ca 0.09 0.29 0.08 0.00 -0.71 0.00 0.00 52.86 52.60 1p69 s ASN 442 Cb -0.11 -2.16 -0.03 0.00 0.41 0.00 0.00 41.25 39.35 1p69 s ASN 442 CO -0.01 -0.01 -0.20 -0.83 -1.51 0.00 0.00 177.10 174.54 1p69 s GLY 443 N 1.11 1.18 -0.09 0.66 0.00 0.69 -1.30 107.32 109.57 1p69 s GLY 443 Ca 0.13 -1.21 -0.01 0.00 0.00 0.00 0.00 44.72 43.62 1p69 s GLY 443 CO 0.06 -1.22 0.00 -0.42 0.00 0.00 0.00 173.10 171.53 1p69 s ILE 444 N -1.21 0.42 0.18 0.90 1.01 -0.75 -1.24 121.20 120.51 1p69 s ILE 444 Ca 0.05 0.04 0.11 0.00 0.00 0.00 0.00 60.65 60.85 1p69 s ILE 444 Cb -0.10 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 1p69 s ILE 444 CO 0.04 0.22 -0.22 0.54 0.00 0.00 0.00 174.94 175.53 1p69 s VAL 445 N 1.95 2.52 -0.18 2.92 0.11 0.83 -2.02 120.40 126.52 1p69 s VAL 445 Ca 0.04 -1.89 -0.14 0.00 -2.93 0.00 0.00 61.98 57.07 1p69 s VAL 445 Cb -0.13 -2.20 0.05 0.00 -1.53 0.00 0.00 36.38 32.58 1p69 s VAL 445 CO -0.06 -0.07 0.46 -0.55 -3.33 0.00 0.00 175.10 171.56 1p69 s SER 446 N -2.56 -0.53 -0.02 3.54 0.15 -0.37 0.32 113.70 114.23 1p69 s SER 446 Ca 0.20 0.97 0.02 0.00 0.70 0.00 0.00 55.95 57.84 1p69 s SER 446 Cb -0.09 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 1p69 s SER 446 CO 0.10 -0.18 -0.08 -0.22 1.20 0.00 0.00 173.24 174.06 1p69 s LEU 447 N 0.77 1.83 -0.10 3.45 2.96 -1.26 -1.13 118.68 125.20 1p69 s LEU 447 Ca -0.04 -0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 53.66 1p69 s LEU 447 Cb -0.05 -0.47 0.04 0.00 0.50 0.00 0.00 46.19 46.21 1p69 s LEU 447 CO -0.06 0.06 0.24 0.54 -1.32 0.00 0.00 176.35 175.82 1p69 s VAL 448 N 0.12 -0.04 0.28 1.68 0.11 -0.88 -1.26 120.40 120.41 1p69 s VAL 448 Ca -0.02 0.13 -0.29 0.00 -2.93 0.00 0.00 61.98 58.87 1p69 s VAL 448 Cb -0.07 -0.37 -0.10 0.00 -1.53 0.00 0.00 36.38 34.31 1p69 s VAL 448 CO 0.00 0.05 1.09 -0.83 -3.33 0.00 0.00 175.10 172.09 1p69 s GLY 449 N 1.15 3.07 0.00 6.54 0.00 0.34 -1.67 107.32 116.75 1p69 s GLY 449 Ca -0.08 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.52 1p69 s GLY 449 CO -0.08 1.49 0.10 3.33 0.00 0.00 0.00 173.10 177.95 1p69 n VAL 450 N 1.22 0.00 -3.56 1.40 0.24 -0.26 -4.68 118.33 112.68 1p69 n VAL 450 Ca -0.01 -0.29 -0.16 0.00 -2.04 0.00 0.00 64.34 61.84 1p69 n VAL 450 Cb 0.45 1.14 -0.06 0.00 -1.47 0.00 0.00 33.84 33.90 1p69 n VAL 450 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1p69 s LYS 451 N -0.38 1.01 3.50 7.34 2.20 -1.13 -4.96 119.74 127.32 1p69 s LYS 451 Ca 0.00 0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 1p69 s LYS 451 Cb 0.00 0.47 0.00 0.00 -1.51 0.00 0.00 37.83 36.79 1p69 s LYS 451 CO 0.00 -0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 1p69 n GLY 452 N 0.75 0.38 0.33 5.54 0.00 -1.26 -3.42 105.19 107.50 1p69 n GLY 452 Ca -0.19 -0.84 0.20 0.00 0.00 0.00 0.00 46.02 45.19 1p69 n GLY 452 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1p69 h ASN 453 N 7.94 0.00 0.48 1.61 2.35 -1.98 -2.03 115.58 123.96 1p69 h ASN 453 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1p69 h ASN 453 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1p69 h ASN 453 CO 0.00 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.96 1p69 n LEU 454 N -3.28 0.00 0.01 1.61 4.77 -1.22 -1.67 117.00 117.21 1p69 n LEU 454 Ca -0.03 0.44 0.11 0.00 -0.03 0.00 0.00 56.01 56.51 1p69 n LEU 454 Cb 0.11 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 40.69 1p69 n LEU 454 CO 0.22 -0.20 -0.20 0.18 -1.33 0.00 0.00 177.39 176.05 1p69 n LEU 455 N -1.44 0.58 -3.36 2.23 4.77 -0.76 0.46 117.00 119.48 1p69 n LEU 455 Ca 0.05 -0.16 -0.24 0.00 -0.03 0.00 0.00 56.01 55.63 1p69 n LEU 455 Cb 0.17 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 1p69 n LEU 455 CO 0.14 0.10 -0.26 0.21 -1.33 0.00 0.00 177.39 176.24 1p69 s ASN 456 N -3.79 1.62 -0.27 -1.43 2.47 -0.67 -1.98 114.94 110.88 1p69 s ASN 456 Ca 0.02 -2.47 -0.41 0.00 0.42 0.00 0.00 52.86 50.42 1p69 s ASN 456 Cb 0.15 -0.09 -0.16 0.00 -1.45 0.00 0.00 41.25 39.69 1p69 s ASN 456 CO 0.85 -0.22 1.67 -0.38 -3.72 0.00 0.00 177.10 175.30 1p69 n ILE 457 N 3.43 0.23 -1.99 -5.21 5.41 0.06 -4.75 119.36 116.54 1p69 n ILE 457 Ca 0.21 -0.04 -0.37 0.00 1.00 0.00 0.00 62.75 63.55 1p69 n ILE 457 Cb 0.45 -1.05 0.03 0.00 -0.71 0.00 0.00 39.64 38.35 1p69 n ILE 457 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1p69 s GLN 458 N 3.11 3.21 0.26 0.38 -1.52 -1.26 -3.46 119.66 120.37 1p69 s GLN 458 Ca 0.98 1.96 -0.02 0.00 -1.95 0.00 0.00 55.36 56.33 1p69 s GLN 458 Cb -1.13 -2.15 0.53 0.00 -0.22 0.00 0.00 33.01 30.04 1p69 s GLN 458 CO 0.66 -1.05 1.74 0.66 -0.25 0.00 0.00 175.29 177.05 1p69 h SER 459 N 1.35 0.41 1.53 5.90 4.64 -1.90 -1.74 113.55 123.75 1p69 h SER 459 Ca -0.50 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1p69 h SER 459 Cb 1.29 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1p69 h SER 459 CO 0.57 0.15 0.00 0.71 -0.87 0.00 0.00 176.83 177.39 1p69 h THR 460 N 0.52 0.00 -2.67 2.95 1.35 -1.91 -3.46 112.91 109.70 1p69 h THR 460 Ca 0.46 -0.59 -0.52 0.00 -0.55 0.00 0.00 66.41 65.20 1p69 h THR 460 Cb 0.69 1.57 0.05 0.00 -1.73 0.00 0.00 68.15 68.73 1p69 h THR 460 CO -0.40 0.00 1.01 -0.89 -0.25 0.00 0.00 175.52 174.99 1p69 s THR 461 N -3.17 2.35 -0.00 6.82 2.01 -0.65 -4.85 115.64 118.14 1p69 s THR 461 Ca 0.09 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.25 1p69 s THR 461 Cb 0.10 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.49 1p69 s THR 461 CO 0.60 0.01 0.02 0.35 -0.69 0.00 0.00 174.62 174.91 1p69 n THR 462 N 4.23 0.02 -3.83 -0.82 -2.24 -1.26 -2.34 114.28 108.04 1p69 n THR 462 Ca 0.16 -0.04 -0.12 0.00 -2.27 0.00 0.00 64.05 61.78 1p69 n THR 462 Cb 0.37 0.05 -0.11 0.00 -2.10 0.00 0.00 70.33 68.53 1p69 n THR 462 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1p69 s THR 463 N -2.07 0.03 -0.08 4.28 2.01 -1.26 -1.90 115.64 116.64 1p69 s THR 463 Ca -0.01 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.78 1p69 s THR 463 Cb 0.01 -0.32 0.02 0.00 0.01 0.00 0.00 72.50 72.21 1p69 s THR 463 CO 0.05 -0.13 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.06 1p69 s VAL 464 N -0.41 1.05 0.10 3.82 1.01 -0.46 -4.98 120.40 120.53 1p69 s VAL 464 Ca -0.05 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 1p69 s VAL 464 Cb -0.03 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 1p69 s VAL 464 CO 0.01 0.35 0.19 -0.83 0.00 0.00 0.00 175.10 174.82 1p69 s GLY 465 N 1.00 0.23 0.03 4.51 0.00 -1.26 -0.44 107.32 111.39 1p69 s GLY 465 Ca -0.08 -0.74 -0.01 0.00 0.00 0.00 0.00 44.72 43.89 1p69 s GLY 465 CO -0.00 -0.86 -0.02 -1.34 0.00 0.00 0.00 173.10 170.87 1p69 s VAL 466 N -3.89 0.14 0.14 1.40 -7.23 -0.30 -4.98 120.40 105.68 1p69 s VAL 466 Ca 0.08 -1.15 0.08 0.00 -1.81 0.00 0.00 61.98 59.18 1p69 s VAL 466 Cb 0.05 -0.62 -0.04 0.00 0.56 0.00 0.00 36.38 36.33 1p69 s VAL 466 CO -0.08 -0.63 -0.17 -1.00 -0.31 0.00 0.00 175.10 172.90 1p69 s HIS 467 N -2.15 1.67 -0.17 2.82 3.76 -1.26 -0.74 115.29 119.23 1p69 s HIS 467 Ca -0.10 -0.49 -0.02 0.00 -0.15 0.00 0.00 55.06 54.31 1p69 s HIS 467 Cb -0.05 -0.86 0.05 0.00 1.11 0.00 0.00 32.58 32.83 1p69 s HIS 467 CO -0.03 0.25 -0.00 -0.51 -0.85 0.00 0.00 174.74 173.59 1p69 s LEU 468 N -2.46 1.39 -0.17 0.89 1.43 0.20 -0.95 118.68 119.01 1p69 s LEU 468 Ca 0.12 -0.72 -0.06 0.00 -1.03 0.00 0.00 54.13 52.44 1p69 s LEU 468 Cb -0.06 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 1p69 s LEU 468 CO 0.05 -0.25 0.03 -0.69 0.23 0.00 0.00 176.35 175.72 1p69 s VAL 469 N 1.75 4.48 0.24 -1.59 1.01 -1.26 -1.03 120.40 124.01 1p69 s VAL 469 Ca -0.00 -0.15 0.11 0.00 0.00 0.00 0.00 61.98 61.94 1p69 s VAL 469 Cb -0.16 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1p69 s VAL 469 CO -0.07 0.48 -0.14 -0.36 0.00 0.00 0.00 175.10 175.01 1p69 s PHE 470 N 0.31 2.46 0.22 5.22 0.40 0.94 -0.77 117.98 126.76 1p69 s PHE 470 Ca 0.01 -0.29 -0.02 0.00 -0.60 0.00 0.00 56.93 56.03 1p69 s PHE 470 Cb -0.13 -1.13 0.05 0.00 0.51 0.00 0.00 43.02 42.32 1p69 s PHE 470 CO 0.01 0.61 0.31 -0.40 0.70 0.00 0.00 175.22 176.45 1p69 n ASP 471 N -0.39 0.23 0.00 1.36 5.68 0.53 -1.82 116.55 122.14 1p69 n ASP 471 Ca -0.08 -1.24 0.04 0.00 -0.50 0.00 0.00 54.79 53.02 1p69 n ASP 471 Cb 0.58 -0.22 0.21 0.00 -1.14 0.00 0.00 41.12 40.56 1p69 n ASP 471 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1p69 n GLU 472 N -1.61 0.07 -0.11 0.11 0.28 -1.08 -1.21 120.64 117.10 1p69 n GLU 472 Ca 0.04 0.26 0.09 0.00 -0.16 0.00 0.00 57.16 57.39 1p69 n GLU 472 Cb 0.16 -1.50 0.14 0.00 1.43 0.00 0.00 31.44 31.67 1p69 n GLU 472 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1p69 n GLN 473 N -1.38 1.96 -0.94 3.44 1.13 -1.26 -4.91 117.38 115.42 1p69 n GLN 473 Ca 0.03 -1.86 0.00 0.00 -1.94 0.00 0.00 57.00 53.23 1p69 n GLN 473 Cb 0.09 -1.36 0.00 0.00 0.11 0.00 0.00 30.24 29.07 1p69 n GLN 473 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p69 n GLY 474 N 1.01 0.51 3.74 1.08 0.00 -0.35 -3.42 105.19 107.76 1p69 n GLY 474 Ca 0.13 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1p69 n GLY 474 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p69 s ARG 475 N -0.40 4.35 0.44 1.61 0.52 -1.26 -4.74 118.95 119.47 1p69 s ARG 475 Ca 0.00 0.69 -0.26 0.00 -0.52 0.00 0.00 55.73 55.64 1p69 s ARG 475 Cb 0.00 -3.40 -0.09 0.00 0.52 0.00 0.00 34.95 31.99 1p69 s ARG 475 CO 0.00 0.23 1.43 -1.17 0.02 0.00 0.00 175.30 175.81 1p69 s LEU 476 N 0.30 4.15 -0.32 2.53 2.96 -1.26 -0.34 118.68 126.70 1p69 s LEU 476 Ca 0.31 2.93 -0.07 0.00 -0.22 0.00 0.00 54.13 57.08 1p69 s LEU 476 Cb -0.17 -3.90 0.02 0.00 0.50 0.00 0.00 46.19 42.65 1p69 s LEU 476 CO 0.15 -1.12 0.09 -0.63 -1.32 0.00 0.00 176.35 173.53 1p69 s ILE 477 N -1.19 3.89 -1.24 6.68 1.01 0.05 -4.83 121.20 125.56 1p69 s ILE 477 Ca 0.60 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 60.27 1p69 s ILE 477 Cb -0.44 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 1p69 s ILE 477 CO 0.57 -0.04 2.87 0.35 0.00 0.00 0.00 174.94 178.68 1p69 n THR 478 N 4.84 4.36 -3.79 2.92 -2.24 -1.26 -4.55 114.28 114.56 1p69 n THR 478 Ca -0.14 -2.99 -0.11 0.00 -2.27 0.00 0.00 64.05 58.54 1p69 n THR 478 Cb 0.46 -2.30 -0.08 0.00 -2.10 0.00 0.00 70.33 66.32 1p69 n THR 478 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1p69 s SER 479 N 1.48 -0.07 0.07 3.42 1.04 -1.26 -4.40 113.70 113.98 1p69 s SER 479 Ca 0.64 -0.25 -0.28 0.00 0.48 0.00 0.00 55.95 56.54 1p69 s SER 479 Cb 0.21 0.33 -0.15 0.00 0.10 0.00 0.00 66.02 66.51 1p69 s SER 479 CO -0.07 -0.59 0.67 0.41 0.98 0.00 0.00 173.24 174.64 1p69 n THR 480 N 0.63 0.73 -0.12 2.02 -1.04 -1.26 -0.93 114.28 114.30 1p69 n THR 480 Ca -0.19 -0.18 0.05 0.00 -2.04 0.00 0.00 64.05 61.69 1p69 n THR 480 Cb 0.59 0.00 0.26 0.00 -1.82 0.00 0.00 70.33 69.36 1p69 n THR 480 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1p69 n PRO 481 N 1.04 3.32 -1.73 -2.82 -0.04 -1.26 -5.11 135.00 128.40 1p69 n PRO 481 Ca 0.16 -2.03 -0.42 0.00 -0.04 0.00 0.00 63.50 61.17 1p69 n PRO 481 Cb 0.13 -1.89 -0.03 0.00 -0.04 0.00 0.00 33.50 31.66 1p69 n PRO 481 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1p69 s THR 482 N -2.01 2.24 0.05 0.52 2.01 -0.11 -4.23 115.64 114.12 1p69 s THR 482 Ca 0.36 0.05 -0.20 0.00 0.31 0.00 0.00 61.69 62.20 1p69 s THR 482 Cb 0.26 -3.03 -0.12 0.00 0.01 0.00 0.00 72.50 69.61 1p69 s THR 482 CO 0.13 0.00 1.44 0.00 -0.69 0.00 0.00 174.62 175.50 1p69 h ALA 483 N 7.48 0.23 -2.66 7.40 0.00 -1.38 -3.42 119.26 126.91 1p69 h ALA 483 Ca -0.44 -0.25 -0.52 0.00 0.00 0.00 0.00 54.91 53.70 1p69 h ALA 483 Cb 1.21 -0.06 0.06 0.00 0.00 0.00 0.00 17.79 19.00 1p69 h ALA 483 CO 0.95 0.01 0.96 -0.51 0.00 0.00 0.00 179.25 180.66 1p69 s LEU 484 N -9.35 4.37 0.82 0.00 1.43 -1.26 -4.15 118.68 110.54 1p69 s LEU 484 Ca -0.14 2.81 -0.11 0.00 -1.03 0.00 0.00 54.13 55.66 1p69 s LEU 484 Cb 0.06 -3.60 0.09 0.00 0.03 0.00 0.00 46.19 42.76 1p69 s LEU 484 CO 0.73 -0.92 1.09 0.68 0.23 0.00 0.00 176.35 178.16 1p69 s VAL 485 N 1.01 3.05 0.25 -1.59 -7.23 -0.28 -4.73 120.40 110.88 1p69 s VAL 485 Ca 0.72 0.34 -0.03 0.00 -1.81 0.00 0.00 61.98 61.20 1p69 s VAL 485 Cb -0.48 -2.86 0.23 0.00 0.56 0.00 0.00 36.38 33.83 1p69 s VAL 485 CO 0.34 -0.45 1.75 -0.65 -0.31 0.00 0.00 175.10 175.78 1p69 h PRO 486 N -1.29 0.53 -0.00 4.82 0.11 -1.92 -1.83 132.00 132.43 1p69 h PRO 486 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1p69 h PRO 486 Cb 1.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1p69 h PRO 486 CO 0.54 0.35 -0.02 0.00 -0.21 0.00 0.00 178.00 178.66 1p69 n GLN 487 N -4.92 0.70 -2.14 1.05 0.00 -1.26 -4.91 117.38 105.90 1p69 n GLN 487 Ca 0.15 -0.07 -0.38 0.00 0.00 0.00 0.00 57.00 56.71 1p69 n GLN 487 Cb 0.41 -1.50 -0.00 0.00 0.00 0.00 0.00 30.24 29.15 1p69 n GLN 487 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1p69 s ALA 488 N -2.35 3.09 0.17 2.61 0.00 -0.69 -4.97 121.76 119.63 1p69 s ALA 488 Ca 0.35 1.09 -0.30 0.00 0.00 0.00 0.00 51.96 53.10 1p69 s ALA 488 Cb 0.21 -3.44 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 1p69 s ALA 488 CO 0.43 -0.77 1.34 -1.12 0.00 0.00 0.00 175.76 175.64 1p69 s SER 489 N -1.05 6.86 -0.30 0.00 0.01 -1.26 -4.96 113.70 113.00 1p69 s SER 489 Ca 0.61 2.38 -0.12 0.00 1.31 0.00 0.00 55.95 60.13 1p69 s SER 489 Cb -0.34 -2.60 0.16 0.00 0.21 0.00 0.00 66.02 63.45 1p69 s SER 489 CO 0.42 -0.58 0.87 0.86 0.41 0.00 0.00 173.24 175.22 1p69 s TRP 490 N 0.46 -0.93 -4.43 2.43 -0.11 -1.26 -4.31 118.94 110.80 1p69 s TRP 490 Ca 0.59 1.42 0.00 0.00 1.22 0.00 0.00 56.10 59.33 1p69 s TRP 490 Cb -0.37 0.49 0.00 0.00 -1.50 0.00 0.00 33.47 32.09 1p69 s TRP 490 CO 0.36 -0.48 0.00 0.41 -4.62 0.00 0.00 176.95 172.62 1p69 n GLY 491 N 5.21 -1.22 3.61 5.86 0.00 -1.12 -4.99 105.19 112.55 1p69 n GLY 491 Ca -0.08 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 1p69 n GLY 491 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1p69 n TYR 492 N 7.98 0.78 -2.92 1.61 0.53 -1.26 -2.14 117.16 121.73 1p69 n TYR 492 Ca 0.00 0.43 -0.40 0.00 -1.02 0.00 0.00 57.90 56.90 1p69 n TYR 492 Cb 0.00 -2.13 -0.05 0.00 -1.03 0.00 0.00 39.34 36.14 1p69 n TYR 492 CO 0.00 0.00 0.00 0.50 -1.02 0.00 0.00 176.86 176.34 1p69 s ARG 493 N -2.86 4.55 -0.29 -0.72 3.52 -1.14 -1.11 118.95 120.89 1p69 s ARG 493 Ca 0.76 1.16 -0.03 0.00 -0.13 0.00 0.00 55.73 57.49 1p69 s ARG 493 Cb -0.40 -3.36 0.11 0.00 -1.56 0.00 0.00 34.95 29.74 1p69 s ARG 493 CO 0.47 0.28 0.18 -1.14 -0.81 0.00 0.00 175.30 174.27 1p69 s GLN 494 N -0.08 0.23 5.18 5.12 0.74 -0.58 -0.15 119.66 130.12 1p69 s GLN 494 Ca 0.40 -0.39 0.00 0.00 0.05 0.00 0.00 55.36 55.42 1p69 s GLN 494 Cb -0.21 -1.02 0.00 0.00 1.10 0.00 0.00 33.01 32.88 1p69 s GLN 494 CO 0.25 -1.01 0.00 0.41 -0.55 0.00 0.00 175.29 174.38 1p69 n GLY 495 N 5.27 1.84 0.75 2.59 0.00 -1.26 -1.60 105.19 112.78 1p69 n GLY 495 Ca -0.05 -0.61 0.07 0.00 0.00 0.00 0.00 46.02 45.44 1p69 n GLY 495 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1p69 n GLN 496 N 13.12 1.95 -0.32 1.61 1.13 -1.26 -4.90 117.38 128.70 1p69 n GLN 496 Ca 0.00 -1.46 0.00 0.00 -1.94 0.00 0.00 57.00 53.60 1p69 n GLN 496 Cb 0.00 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 29.02 1p69 n GLN 496 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1p69 n SER 497 N 0.69 1.97 -4.43 1.08 2.88 -0.63 -4.32 113.62 110.86 1p69 n SER 497 Ca 0.14 -0.16 -0.30 0.00 -1.33 0.00 0.00 58.87 57.21 1p69 n SER 497 Cb 0.35 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.68 1p69 n SER 497 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1p69 s VAL 498 N 0.65 2.63 0.54 2.46 1.01 -1.26 -1.52 120.40 124.90 1p69 s VAL 498 Ca 0.00 -1.26 -0.18 0.00 0.00 0.00 0.00 61.98 60.54 1p69 s VAL 498 Cb 0.00 -2.10 -0.06 0.00 0.00 0.00 0.00 36.38 34.22 1p69 s VAL 498 CO 0.00 0.33 1.03 -0.55 0.00 0.00 0.00 175.10 175.91 1p69 s SER 499 N -1.44 6.16 0.00 3.32 0.15 -0.27 -4.75 113.70 116.88 1p69 s SER 499 Ca 0.14 1.80 0.27 0.00 0.70 0.00 0.00 55.95 58.87 1p69 s SER 499 Cb -0.10 -2.54 0.90 0.00 -1.71 0.00 0.00 66.02 62.57 1p69 s SER 499 CO 0.05 -0.90 1.65 0.35 1.20 0.00 0.00 173.24 175.59 1p69 n THR 500 N -1.54 0.00 -1.58 6.45 -2.24 -1.26 -4.60 114.28 109.51 1p69 n THR 500 Ca 0.08 -0.16 -0.34 0.00 -2.27 0.00 0.00 64.05 61.37 1p69 n THR 500 Cb 0.53 0.38 0.07 0.00 -2.10 0.00 0.00 70.33 69.21 1p69 n THR 500 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1p69 s ASN 501 N -2.34 4.58 0.24 3.42 -0.87 -1.26 -4.99 114.94 113.71 1p69 s ASN 501 Ca 0.29 2.22 -0.18 0.00 -1.57 0.00 0.00 52.86 53.62 1p69 s ASN 501 Cb 0.20 -2.57 -0.08 0.00 -0.02 0.00 0.00 41.25 38.77 1p69 s ASN 501 CO 0.46 -2.00 0.71 0.42 -2.57 0.00 0.00 177.10 174.12 1p69 s THR 502 N -2.11 4.62 -0.09 1.60 -4.23 -1.26 -4.79 115.64 109.39 1p69 s THR 502 Ca 0.72 1.15 -0.30 0.00 -1.18 0.00 0.00 61.69 62.08 1p69 s THR 502 Cb -0.26 -3.78 -0.03 0.00 1.34 0.00 0.00 72.50 69.77 1p69 s THR 502 CO 0.43 0.10 1.38 -0.69 -0.54 0.00 0.00 174.62 175.30 1p69 s VAL 503 N -1.65 4.00 -1.20 2.29 1.01 -1.26 -4.87 120.40 118.72 1p69 s VAL 503 Ca 0.46 1.26 0.12 0.00 0.00 0.00 0.00 61.98 63.81 1p69 s VAL 503 Cb -0.15 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.46 1p69 s VAL 503 CO 0.20 -0.08 0.75 0.35 0.00 0.00 0.00 175.10 176.32 1p69 n THR 504 N 5.18 0.00 -1.79 3.92 -2.24 -1.26 -4.42 114.28 113.67 1p69 n THR 504 Ca 0.14 -0.43 0.04 0.00 -2.27 0.00 0.00 64.05 61.54 1p69 n THR 504 Cb 0.44 1.18 0.17 0.00 -2.10 0.00 0.00 70.33 70.01 1p69 n THR 504 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1p69 n ASN 505 N 0.10 1.74 -0.31 3.42 6.94 -1.26 -4.87 115.26 121.02 1p69 n ASN 505 Ca 0.06 -3.55 0.16 0.00 -0.02 0.00 0.00 54.58 51.23 1p69 n ASN 505 Cb 0.26 -0.48 0.41 0.00 -2.36 0.00 0.00 39.78 37.61 1p69 n ASN 505 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1p69 h GLY 506 N 1.07 1.36 2.00 4.83 0.00 -1.77 -0.85 103.07 109.71 1p69 h GLY 506 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1p69 h GLY 506 CO 0.06 -0.04 0.00 1.04 0.00 0.00 0.00 176.54 177.60 1p69 n LEU 507 N -4.64 0.34 0.17 3.11 4.77 -1.22 -1.13 117.00 118.40 1p69 n LEU 507 Ca 0.22 0.62 0.13 0.00 -0.03 0.00 0.00 56.01 56.95 1p69 n LEU 507 Cb 0.65 -0.62 0.42 0.00 -2.33 0.00 0.00 43.42 41.55 1p69 n LEU 507 CO 0.26 -0.59 0.88 1.23 -1.33 0.00 0.00 177.39 177.84 1p69 h GLY 508 N 1.15 0.00 -0.15 -0.72 0.00 -1.48 -1.47 103.07 100.39 1p69 h GLY 508 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1p69 h GLY 508 CO 0.00 0.00 -0.57 0.69 0.00 0.00 0.00 176.54 176.66 1p69 n PHE 509 N -2.62 0.00 -2.76 5.60 3.01 -0.29 -4.72 117.46 115.68 1p69 n PHE 509 Ca 0.03 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.14 1p69 n PHE 509 Cb 0.38 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.79 1p69 n PHE 509 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1p69 s MET 510 N -2.18 4.34 0.13 -1.08 -1.94 -1.11 -4.91 119.30 112.54 1p69 s MET 510 Ca 0.07 1.26 -0.31 0.00 -1.71 0.00 0.00 55.69 54.99 1p69 s MET 510 Cb 0.11 -2.45 -0.08 0.00 2.01 0.00 0.00 34.83 34.41 1p69 s MET 510 CO 0.52 0.06 1.41 -2.14 -0.01 0.00 0.00 175.02 174.86 1p69 s PRO 511 N -2.67 4.31 -0.02 2.03 0.02 -1.26 0.24 135.00 137.64 1p69 s PRO 511 Ca 0.57 2.13 -0.32 0.00 0.02 0.00 0.00 61.00 63.40 1p69 s PRO 511 Cb -0.15 -3.22 -0.11 0.00 0.02 0.00 0.00 34.50 31.04 1p69 s PRO 511 CO 0.19 -0.45 1.91 -1.71 -0.33 0.00 0.00 177.00 176.61 1p69 n ASN 512 N 3.82 3.79 0.22 2.53 2.85 -0.04 -4.39 115.26 124.04 1p69 n ASN 512 Ca 0.11 0.95 0.15 0.00 -0.11 0.00 0.00 54.58 55.68 1p69 n ASN 512 Cb 0.42 -1.45 0.53 0.00 1.24 0.00 0.00 39.78 40.52 1p69 n ASN 512 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 1p69 h VAL 513 N 5.44 0.00 0.03 3.44 -1.51 -1.91 0.34 116.25 122.07 1p69 h VAL 513 Ca -0.49 -0.54 -0.26 0.00 -1.23 0.00 0.00 66.70 64.18 1p69 h VAL 513 Cb 1.25 1.49 0.02 0.00 -2.13 0.00 0.00 31.29 31.92 1p69 h VAL 513 CO 0.94 0.00 -1.06 0.28 -1.23 0.00 0.00 177.57 176.50 1p69 h SER 514 N 0.00 0.78 0.60 4.19 0.02 -1.97 -1.69 113.55 115.48 1p69 h SER 514 Ca 0.00 -0.65 -0.24 0.00 -0.84 0.00 0.00 61.79 60.06 1p69 h SER 514 Cb 0.59 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 1p69 h SER 514 CO 0.00 1.46 -1.06 0.00 -1.14 0.00 0.00 176.83 176.09 1p69 h ALA 515 N 0.49 0.29 -2.43 3.77 0.00 -1.89 -3.38 119.26 116.10 1p69 h ALA 515 Ca -0.13 -0.81 -0.59 0.00 0.00 0.00 0.00 54.91 53.38 1p69 h ALA 515 Cb 1.71 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 19.07 1p69 h ALA 515 CO 0.20 0.95 -0.81 0.66 0.00 0.00 0.00 179.25 180.25 1p69 n TYR 516 N -3.59 1.37 -1.67 0.00 4.01 0.12 -4.76 117.16 112.63 1p69 n TYR 516 Ca -0.06 -3.83 -0.43 0.00 -0.16 0.00 0.00 57.90 53.42 1p69 n TYR 516 Cb 0.92 -0.30 -0.01 0.00 -0.31 0.00 0.00 39.34 39.63 1p69 n TYR 516 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1p69 n PRO 517 N 1.81 1.93 -0.34 -0.72 -0.02 -0.64 -4.39 135.00 132.63 1p69 n PRO 517 Ca 0.25 0.68 0.18 0.00 -2.02 0.00 0.00 63.50 62.59 1p69 n PRO 517 Cb 0.44 -2.22 0.40 0.00 -0.02 0.00 0.00 33.50 32.10 1p69 n PRO 517 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1p69 h ARG 518 N 2.60 0.55 -0.06 -0.52 3.08 -1.79 0.20 114.38 118.43 1p69 h ARG 518 Ca -0.44 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1p69 h ARG 518 Cb 1.30 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1p69 h ARG 518 CO 0.63 0.36 0.00 -2.30 -1.07 0.00 0.00 179.97 177.60 1p69 n PRO 519 N -4.88 1.24 -0.45 0.04 -0.02 -1.26 -4.16 135.00 125.51 1p69 n PRO 519 Ca 0.27 -0.37 0.09 0.00 -2.02 0.00 0.00 63.50 61.48 1p69 n PRO 519 Cb 0.76 -1.30 0.30 0.00 -0.02 0.00 0.00 33.50 33.24 1p69 n PRO 519 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1p69 n ASN 520 N -0.40 4.11 -0.10 2.55 4.13 0.71 -4.66 115.26 121.60 1p69 n ASN 520 Ca 0.13 -2.30 0.27 0.00 1.68 0.00 0.00 54.58 54.36 1p69 n ASN 520 Cb 0.15 -0.48 0.70 0.00 -1.54 0.00 0.00 39.78 38.60 1p69 n ASN 520 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1p69 h ALA 521 N 3.49 2.61 0.00 5.41 0.00 -1.72 0.59 119.26 129.64 1p69 h ALA 521 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1p69 h ALA 521 Cb 1.19 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1p69 h ALA 521 CO 0.13 -1.10 -0.12 0.43 0.00 0.00 0.00 179.25 178.59 1p69 n SER 522 N -3.82 0.72 -4.73 0.00 7.64 -1.26 -4.80 113.62 107.37 1p69 n SER 522 Ca 0.16 0.48 -0.42 0.00 1.01 0.00 0.00 58.87 60.10 1p69 n SER 522 Cb 0.98 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 63.55 1p69 n SER 522 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1p69 s GLU 523 N -3.10 4.46 0.34 1.43 0.41 0.21 -4.92 118.70 117.53 1p69 s GLU 523 Ca 0.10 1.85 0.12 0.00 -0.41 0.00 0.00 54.97 56.63 1p69 s GLU 523 Cb 0.13 -3.28 0.93 0.00 -1.78 0.00 0.00 34.13 30.13 1p69 s GLU 523 CO 0.61 -0.17 1.75 0.00 -0.49 0.00 0.00 175.26 176.96 1p69 h ALA 524 N 5.93 1.90 0.00 5.21 0.00 -1.87 0.07 119.26 130.50 1p69 h ALA 524 Ca -0.43 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1p69 h ALA 524 Cb 1.21 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1p69 h ALA 524 CO 0.78 -0.34 -0.08 -0.22 0.00 0.00 0.00 179.25 179.39 1p69 h LYS 525 N 0.55 0.00 -0.38 0.00 3.64 -1.91 -0.66 116.57 117.81 1p69 h LYS 525 Ca 0.62 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.00 1p69 h LYS 525 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1p69 h LYS 525 CO -0.41 0.08 0.00 0.43 -2.27 0.00 0.00 179.45 177.27 1p69 n SER 526 N -3.82 1.67 -4.20 4.20 7.64 0.01 -4.83 113.62 114.29 1p69 n SER 526 Ca -0.02 -2.07 -0.21 0.00 1.01 0.00 0.00 58.87 57.57 1p69 n SER 526 Cb 0.17 -0.26 -0.13 0.00 -1.01 0.00 0.00 64.21 62.99 1p69 n SER 526 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1p69 s GLN 527 N -1.64 1.03 -0.23 1.43 -0.21 -0.25 -0.35 119.66 119.43 1p69 s GLN 527 Ca 0.18 -0.91 -0.01 0.00 0.02 0.00 0.00 55.36 54.64 1p69 s GLN 527 Cb 0.10 -1.11 0.07 0.00 1.00 0.00 0.00 33.01 33.07 1p69 s GLN 527 CO 0.11 0.27 0.01 1.41 -2.12 0.00 0.00 175.29 174.97 1p69 s MET 528 N -1.42 1.04 -0.10 2.91 1.75 -0.67 -4.98 119.30 117.84 1p69 s MET 528 Ca 0.03 -0.78 0.00 0.00 -1.25 0.00 0.00 55.69 53.69 1p69 s MET 528 Cb -0.09 -2.30 -0.02 0.00 2.84 0.00 0.00 34.83 35.26 1p69 s MET 528 CO 0.02 -0.69 -0.10 0.08 -0.65 0.00 0.00 175.02 173.68 1p69 s VAL 529 N 1.62 3.37 0.11 10.11 1.01 -1.26 -1.58 120.40 133.79 1p69 s VAL 529 Ca -0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1p69 s VAL 529 Cb -0.18 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1p69 s VAL 529 CO -0.10 0.55 0.10 -0.94 0.00 0.00 0.00 175.10 174.71 1p69 s SER 530 N -0.20 0.28 -0.09 3.32 1.04 -0.57 -5.00 113.70 112.48 1p69 s SER 530 Ca 0.01 -1.00 -0.09 0.00 0.48 0.00 0.00 55.95 55.36 1p69 s SER 530 Cb -0.13 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.25 1p69 s SER 530 CO 0.03 -0.73 0.21 -0.22 0.98 0.00 0.00 173.24 173.51 1p69 s LEU 531 N -2.97 4.41 0.00 2.42 2.96 -1.26 -0.72 118.68 123.52 1p69 s LEU 531 Ca 0.15 0.60 0.00 0.00 -0.22 0.00 0.00 54.13 54.66 1p69 s LEU 531 Cb 0.06 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.53 1p69 s LEU 531 CO -0.04 0.38 0.00 1.07 -1.32 0.00 0.00 176.35 176.45 1p69 n THR 532 N 1.90 0.00 -4.02 3.68 5.66 0.12 -4.91 114.28 116.70 1p69 n THR 532 Ca -0.18 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.64 1p69 n THR 532 Cb 0.54 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.16 1p69 n THR 532 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1p69 s TYR 533 N -4.57 0.44 0.37 1.09 1.51 -1.26 0.17 117.35 115.11 1p69 s TYR 533 Ca 0.00 -0.07 -0.28 0.00 -1.01 0.00 0.00 57.07 55.71 1p69 s TYR 533 Cb 0.00 -0.45 -0.11 0.00 -0.11 0.00 0.00 41.96 41.29 1p69 s TYR 533 CO 0.00 -0.13 1.48 -1.17 -1.11 0.00 0.00 175.55 174.62 1p69 s LEU 534 N 0.82 4.33 0.00 -1.29 2.96 0.12 -0.73 118.68 124.88 1p69 s LEU 534 Ca -0.09 3.02 0.00 0.00 -0.22 0.00 0.00 54.13 56.84 1p69 s LEU 534 Cb -0.12 -3.67 0.00 0.00 0.50 0.00 0.00 46.19 42.90 1p69 s LEU 534 CO -0.01 -0.85 0.00 0.00 -1.32 0.00 0.00 176.35 174.17 1p69 n GLN 535 N 0.53 0.00 -0.73 1.98 3.00 0.19 -1.16 117.38 121.19 1p69 n GLN 535 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1p69 n GLN 535 Cb 0.39 -3.02 0.00 0.00 0.00 0.00 0.00 30.24 27.62 1p69 n GLN 535 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1p69 n GLY 536 N -1.90 0.74 3.60 1.08 0.00 0.09 -4.91 105.19 103.89 1p69 n GLY 536 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1p69 n GLY 536 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p69 s ASP 537 N -2.46 6.65 0.00 1.61 3.68 -0.31 -4.91 116.67 120.92 1p69 s ASP 537 Ca 0.00 0.47 0.00 0.00 2.13 0.00 0.00 52.55 55.15 1p69 s ASP 537 Cb 0.00 -2.51 0.00 0.00 -1.45 0.00 0.00 42.92 38.96 1p69 s ASP 537 CO 0.00 -1.09 0.58 0.35 0.13 0.00 0.00 175.17 175.14 1p69 n THR 538 N 6.47 0.38 1.03 1.71 -2.24 -1.26 -0.11 114.28 120.25 1p69 n THR 538 Ca 0.10 0.10 0.11 0.00 -2.27 0.00 0.00 64.05 62.08 1p69 n THR 538 Cb 0.48 -1.10 0.02 0.00 -2.10 0.00 0.00 70.33 67.64 1p69 n THR 538 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1p69 n SER 539 N -1.08 1.31 -3.33 3.42 3.41 -1.26 -4.51 113.62 111.58 1p69 n SER 539 Ca 0.00 -1.08 -0.29 0.00 -0.26 0.00 0.00 58.87 57.24 1p69 n SER 539 Cb 0.00 0.63 -0.06 0.00 -0.26 0.00 0.00 64.21 64.53 1p69 n SER 539 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1p69 n LYS 540 N -0.89 2.99 -1.99 4.33 5.02 0.85 -5.08 118.16 123.39 1p69 n LYS 540 Ca 0.07 -4.73 -0.39 0.00 -2.02 0.00 0.00 58.31 51.24 1p69 n LYS 540 Cb 0.38 -2.28 0.01 0.00 -0.02 0.00 0.00 35.03 33.12 1p69 n LYS 540 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1p69 s PRO 541 N -2.87 3.72 0.19 1.97 0.04 -1.26 -0.71 135.00 136.08 1p69 s PRO 541 Ca 0.42 2.15 -0.09 0.00 0.04 0.00 0.00 61.00 63.52 1p69 s PRO 541 Cb 0.18 -2.58 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 1p69 s PRO 541 CO -0.04 -0.70 0.33 0.96 0.04 0.00 0.00 177.00 177.59 1p69 s ILE 542 N -1.31 0.04 0.11 0.56 -4.36 0.13 -4.79 121.20 111.57 1p69 s ILE 542 Ca 0.62 -1.44 0.07 0.00 -0.26 0.00 0.00 60.65 59.64 1p69 s ILE 542 Cb -0.38 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.27 1p69 s ILE 542 CO 0.48 -0.16 -0.11 0.42 0.24 0.00 0.00 174.94 175.80 1p69 s THR 543 N -4.00 3.29 -0.13 8.37 -4.23 -0.96 0.12 115.64 118.09 1p69 s THR 543 Ca 0.21 -1.31 0.02 0.00 -1.18 0.00 0.00 61.69 59.43 1p69 s THR 543 Cb 0.02 -2.54 0.02 0.00 1.34 0.00 0.00 72.50 71.34 1p69 s THR 543 CO 0.04 0.10 -0.17 -0.32 -0.54 0.00 0.00 174.62 173.73 1p69 s MET 544 N -2.21 2.49 -0.13 3.99 1.75 0.10 -1.51 119.30 123.77 1p69 s MET 544 Ca 0.21 -0.65 0.02 0.00 -1.25 0.00 0.00 55.69 54.02 1p69 s MET 544 Cb -0.11 -2.11 0.00 0.00 2.84 0.00 0.00 34.83 35.45 1p69 s MET 544 CO 0.13 -0.09 -0.21 0.21 -0.65 0.00 0.00 175.02 174.41 1p69 s LYS 545 N 1.06 3.09 -0.25 4.11 2.20 0.05 -1.51 119.74 128.49 1p69 s LYS 545 Ca -0.04 -0.83 -0.06 0.00 -0.36 0.00 0.00 55.97 54.68 1p69 s LYS 545 Cb -0.15 -2.44 -0.01 0.00 -1.51 0.00 0.00 37.83 33.72 1p69 s LYS 545 CO -0.04 0.07 0.02 0.08 -0.36 0.00 0.00 175.35 175.12 1p69 s VAL 546 N 0.64 3.79 -0.12 4.02 1.01 -0.61 -0.97 120.40 128.16 1p69 s VAL 546 Ca -0.11 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 1p69 s VAL 546 Cb -0.16 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1p69 s VAL 546 CO 0.02 0.29 0.07 0.00 0.00 0.00 0.00 175.10 175.49 1p69 s ALA 547 N 1.52 3.56 -0.22 5.51 0.00 -0.23 -1.66 121.76 130.24 1p69 s ALA 547 Ca 0.05 -0.72 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 1p69 s ALA 547 Cb -0.15 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 1p69 s ALA 547 CO 0.00 0.50 0.12 -0.06 0.00 0.00 0.00 175.76 176.31 1p69 s PHE 548 N -0.62 3.28 -1.45 0.00 2.99 0.52 -1.55 117.98 121.14 1p69 s PHE 548 Ca 0.11 0.11 -0.11 0.00 0.00 0.00 0.00 56.93 57.05 1p69 s PHE 548 Cb -0.12 -2.19 0.08 0.00 0.00 0.00 0.00 43.02 40.78 1p69 s PHE 548 CO 0.02 0.07 0.72 0.09 -0.00 0.00 0.00 175.22 176.12 1p69 n ASN 549 N 4.05 -4.43 -0.02 1.36 3.02 0.35 -4.68 115.26 114.92 1p69 n ASN 549 Ca -0.16 -0.57 -0.05 0.00 -0.03 0.00 0.00 54.58 53.77 1p69 n ASN 549 Cb 0.52 -3.59 -0.13 0.00 -0.61 0.00 0.00 39.78 35.97 1p69 n ASN 549 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p69 n GLY 550 N -1.43 -1.06 2.65 7.41 0.00 -1.26 -4.22 105.19 107.27 1p69 n GLY 550 Ca 0.00 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1p69 n GLY 550 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1p69 n ILE 551 N -2.91 2.94 -1.82 -0.61 0.13 -1.26 -4.89 119.36 110.93 1p69 n ILE 551 Ca -0.17 -4.58 -0.07 0.00 -1.10 0.00 0.00 62.75 56.83 1p69 n ILE 551 Cb 0.99 -1.25 0.04 0.00 -0.84 0.00 0.00 39.64 38.58 1p69 n ILE 551 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 1p69 n THR 552 N -0.53 0.00 0.00 9.51 -2.24 -1.26 -4.79 114.28 114.97 1p69 n THR 552 Ca 0.46 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1p69 n THR 552 Cb 0.49 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 1p69 n THR 552 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1p69 n SER 553 N -3.10 0.00 -3.50 3.42 2.88 -1.26 -5.04 113.62 107.02 1p69 n SER 553 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1p69 n SER 553 Cb 0.16 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.57 1p69 n SER 553 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1p69 s LEU 554 N 0.00 -0.48 0.00 2.46 1.43 -1.26 -4.78 118.68 116.05 1p69 s LEU 554 Ca 0.00 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 1p69 s LEU 554 Cb 0.00 1.61 0.00 0.00 0.03 0.00 0.00 46.19 47.83 1p69 s LEU 554 CO 0.00 -0.10 0.00 0.59 0.23 0.00 0.00 176.35 177.07 1p69 n ASN 555 N 4.33 -0.07 -4.98 2.29 3.02 -1.26 -4.88 115.26 113.71 1p69 n ASN 555 Ca -0.13 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.22 1p69 n ASN 555 Cb 0.55 -0.31 0.02 0.00 -0.61 0.00 0.00 39.78 39.43 1p69 n ASN 555 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1p69 s GLY 556 N -2.00 1.95 0.08 7.41 0.00 -1.26 -2.63 107.32 110.87 1p69 s GLY 556 Ca 0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 44.72 42.86 1p69 s GLY 556 CO 0.00 -1.64 0.04 -0.19 0.00 0.00 0.00 173.10 171.31 1p69 s TYR 557 N -2.52 0.54 0.05 1.90 2.02 -0.76 -4.64 117.35 113.95 1p69 s TYR 557 Ca 0.54 -1.02 -0.27 0.00 -0.37 0.00 0.00 57.07 55.95 1p69 s TYR 557 Cb -0.07 -0.34 0.08 0.00 -0.40 0.00 0.00 41.96 41.23 1p69 s TYR 557 CO 0.33 -0.46 0.68 -1.54 -1.57 0.00 0.00 175.55 172.99 1p69 s SER 558 N -2.95 -0.56 -0.06 2.29 1.04 -1.26 -0.04 113.70 112.15 1p69 s SER 558 Ca 0.12 0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.83 1p69 s SER 558 Cb 0.07 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.74 1p69 s SER 558 CO -0.07 -0.78 -0.15 -0.76 0.98 0.00 0.00 173.24 172.47 1p69 s LEU 559 N -2.12 1.77 -0.04 2.42 1.43 -0.19 -0.49 118.68 121.46 1p69 s LEU 559 Ca -0.03 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 1p69 s LEU 559 Cb -0.01 -0.93 -0.01 0.00 0.03 0.00 0.00 46.19 45.28 1p69 s LEU 559 CO -0.04 0.08 -0.19 -0.89 0.23 0.00 0.00 176.35 175.53 1p69 s THR 560 N 0.46 1.60 -0.17 5.49 2.01 -0.60 -0.63 115.64 123.79 1p69 s THR 560 Ca -0.12 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1p69 s THR 560 Cb -0.15 -1.36 0.03 0.00 0.01 0.00 0.00 72.50 71.03 1p69 s THR 560 CO 0.04 0.45 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.93 1p69 s PHE 561 N -0.06 2.35 -0.17 4.92 0.40 0.09 -1.06 117.98 124.45 1p69 s PHE 561 Ca -0.03 -1.42 0.01 0.00 -0.60 0.00 0.00 56.93 54.89 1p69 s PHE 561 Cb -0.12 -1.66 0.01 0.00 0.51 0.00 0.00 43.02 41.76 1p69 s PHE 561 CO 0.02 -0.72 -0.19 -1.64 0.70 0.00 0.00 175.22 173.40 1p69 s MET 562 N 1.42 3.06 -0.38 0.44 -1.94 -0.14 -1.15 119.30 120.61 1p69 s MET 562 Ca 0.03 -0.81 -0.10 0.00 -1.71 0.00 0.00 55.69 53.09 1p69 s MET 562 Cb -0.14 -2.57 0.04 0.00 2.01 0.00 0.00 34.83 34.17 1p69 s MET 562 CO -0.10 -0.12 0.21 -1.58 -0.01 0.00 0.00 175.02 173.41 1p69 s TRP 563 N 1.11 3.26 0.51 -0.03 0.51 0.42 -0.77 118.94 123.95 1p69 s TRP 563 Ca 0.00 -1.13 0.04 0.00 -2.12 0.00 0.00 56.10 52.89 1p69 s TRP 563 Cb -0.14 -2.53 -0.00 0.00 -0.81 0.00 0.00 33.47 29.99 1p69 s TRP 563 CO -0.07 -0.70 0.16 0.45 -0.51 0.00 0.00 176.95 176.28 1p69 s SER 564 N 1.66 4.33 0.00 2.95 0.15 -0.57 -1.36 113.70 120.86 1p69 s SER 564 Ca 0.02 -1.44 0.00 0.00 0.70 0.00 0.00 55.95 55.23 1p69 s SER 564 Cb -0.20 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1p69 s SER 564 CO 0.05 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.21 1p69 n GLY 565 N -1.43 0.53 0.22 9.45 0.00 -0.80 -2.28 105.19 110.89 1p69 n GLY 565 Ca -0.11 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.42 1p69 n GLY 565 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1p69 h LEU 566 N 0.00 0.00 -0.40 0.99 3.38 -1.66 -3.38 115.31 114.24 1p69 h LEU 566 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1p69 h LEU 566 Cb 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 1p69 h LEU 566 CO 0.00 0.16 -0.15 -0.24 0.09 0.00 0.00 178.44 178.31 1p69 n SER 567 N -3.23 -0.24 -1.60 -0.43 2.88 -0.99 -0.19 113.62 109.83 1p69 n SER 567 Ca 0.01 0.70 -0.11 0.00 -1.33 0.00 0.00 58.87 58.14 1p69 n SER 567 Cb 0.47 -0.17 0.10 0.00 -0.75 0.00 0.00 64.21 63.86 1p69 n SER 567 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1p69 n ASN 568 N -4.60 3.38 -3.81 -3.46 6.94 -1.26 -4.74 115.26 107.72 1p69 n ASN 568 Ca 0.04 -2.79 -0.29 0.00 -0.02 0.00 0.00 54.58 51.52 1p69 n ASN 568 Cb 0.17 -0.67 -0.16 0.00 -2.36 0.00 0.00 39.78 36.76 1p69 n ASN 568 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1p69 s TYR 569 N -1.69 1.67 0.38 -2.53 2.02 0.73 -5.13 117.35 112.80 1p69 s TYR 569 Ca 0.29 -1.38 0.08 0.00 -0.37 0.00 0.00 57.07 55.68 1p69 s TYR 569 Cb 0.24 -1.39 -0.05 0.00 -0.40 0.00 0.00 41.96 40.36 1p69 s TYR 569 CO 0.06 -0.73 0.15 0.42 -1.57 0.00 0.00 175.55 173.88 1p69 s ILE 570 N 1.64 2.56 -0.68 2.71 -1.09 -1.26 -4.68 121.20 120.39 1p69 s ILE 570 Ca 0.00 -1.73 -0.09 0.00 -2.23 0.00 0.00 60.65 56.60 1p69 s ILE 570 Cb -0.18 -2.96 0.09 0.00 -1.58 0.00 0.00 42.46 37.83 1p69 s ILE 570 CO -0.11 -0.08 0.22 0.59 -1.23 0.00 0.00 174.94 174.32 1p69 n ASN 571 N -1.18 -1.22 -4.24 3.58 3.02 -1.22 -4.86 115.26 109.14 1p69 n ASN 571 Ca -0.02 -0.17 -0.28 0.00 -0.03 0.00 0.00 54.58 54.07 1p69 n ASN 571 Cb 0.63 -1.14 -0.16 0.00 -0.61 0.00 0.00 39.78 38.51 1p69 n ASN 571 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1p69 s GLN 572 N -5.45 1.87 0.44 3.52 -0.21 -1.26 -4.88 119.66 113.69 1p69 s GLN 572 Ca 0.30 -0.79 -0.24 0.00 0.02 0.00 0.00 55.36 54.66 1p69 s GLN 572 Cb -0.18 -1.77 -0.08 0.00 1.00 0.00 0.00 33.01 31.98 1p69 s GLN 572 CO 0.37 0.45 1.15 -1.25 -2.12 0.00 0.00 175.29 173.89 1p69 s PRO 573 N -0.45 3.88 -0.05 2.91 0.04 -0.84 -0.76 135.00 139.73 1p69 s PRO 573 Ca 0.06 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.55 1p69 s PRO 573 Cb -0.09 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.94 1p69 s PRO 573 CO -0.00 -0.44 1.16 0.12 0.04 0.00 0.00 177.00 177.88 1p69 s PHE 574 N -1.54 3.28 -0.26 0.56 5.36 0.17 -4.87 117.98 120.68 1p69 s PHE 574 Ca 0.61 1.30 -0.13 0.00 -0.96 0.00 0.00 56.93 57.76 1p69 s PHE 574 Cb -0.28 -3.37 0.09 0.00 -0.34 0.00 0.00 43.02 39.12 1p69 s PHE 574 CO 0.34 -1.09 0.62 0.45 -1.46 0.00 0.00 175.22 174.08 1p69 s SER 575 N 1.36 -0.89 0.29 6.13 0.15 -1.26 -0.51 113.70 118.97 1p69 s SER 575 Ca 0.55 1.41 0.08 0.00 0.70 0.00 0.00 55.95 58.68 1p69 s SER 575 Cb -0.24 1.54 -0.03 0.00 -1.71 0.00 0.00 66.02 65.58 1p69 s SER 575 CO 0.22 -0.23 0.19 0.42 1.20 0.00 0.00 173.24 175.04 1p69 s THR 576 N 2.01 3.91 0.85 6.45 -4.23 -0.39 -0.64 115.64 123.61 1p69 s THR 576 Ca -0.08 -1.49 -0.11 0.00 -1.18 0.00 0.00 61.69 58.83 1p69 s THR 576 Cb -0.08 -3.22 0.15 0.00 1.34 0.00 0.00 72.50 70.69 1p69 s THR 576 CO -0.18 -0.29 1.19 -2.84 -0.54 0.00 0.00 174.62 171.96 1p69 s PRO 577 N -3.86 1.26 -0.18 3.99 0.02 -1.26 -4.52 135.00 130.45 1p69 s PRO 577 Ca 0.35 -0.48 -0.29 0.00 0.02 0.00 0.00 61.00 60.60 1p69 s PRO 577 Cb -0.07 -2.01 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 1p69 s PRO 577 CO 0.24 -1.93 1.43 -1.12 -0.33 0.00 0.00 177.00 175.29 1p69 s SER 578 N -4.76 6.71 -0.17 2.53 0.01 -1.26 -4.56 113.70 112.20 1p69 s SER 578 Ca 0.69 1.69 -0.05 0.00 1.31 0.00 0.00 55.95 59.58 1p69 s SER 578 Cb -0.06 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 1p69 s SER 578 CO 0.49 -0.97 0.01 0.00 0.41 0.00 0.00 173.24 173.19 1p69 s SER 580 N 0.40 6.41 0.10 0.00 1.04 -1.26 -0.12 113.70 120.27 1p69 s SER 580 Ca -0.01 0.81 -0.27 0.00 0.48 0.00 0.00 55.95 56.96 1p69 s SER 580 Cb -0.13 -2.19 0.08 0.00 0.10 0.00 0.00 66.02 63.88 1p69 s SER 580 CO 0.02 -0.32 1.07 0.72 0.98 0.00 0.00 173.24 175.70 1p69 s PHE 581 N -2.30 -0.09 0.14 5.02 -0.71 -0.37 -4.95 117.98 114.72 1p69 s PHE 581 Ca 0.46 -0.15 -0.24 0.00 -1.04 0.00 0.00 56.93 55.95 1p69 s PHE 581 Cb -0.10 0.61 0.07 0.00 -1.21 0.00 0.00 43.02 42.39 1p69 s PHE 581 CO 0.34 -0.66 0.68 -1.54 -1.34 0.00 0.00 175.22 172.70 1p69 s SER 582 N -2.98 -0.48 0.14 1.98 1.04 -1.26 -0.22 113.70 111.92 1p69 s SER 582 Ca 0.13 -0.09 -0.21 0.00 0.48 0.00 0.00 55.95 56.26 1p69 s SER 582 Cb 0.01 0.57 0.06 0.00 0.10 0.00 0.00 66.02 66.76 1p69 s SER 582 CO 0.01 -0.95 0.54 -0.72 0.98 0.00 0.00 173.24 173.10 1p69 s TYR 583 N -3.63 -0.45 0.29 5.02 -0.85 -1.11 -4.97 117.35 111.65 1p69 s TYR 583 Ca 0.03 0.24 -0.29 0.00 -0.52 0.00 0.00 57.07 56.53 1p69 s TYR 583 Cb -0.02 0.46 -0.09 0.00 0.38 0.00 0.00 41.96 42.69 1p69 s TYR 583 CO -0.09 -0.79 1.08 0.42 -1.52 0.00 0.00 175.55 174.64 1p69 s ILE 584 N -3.63 3.57 0.21 -3.49 1.01 -1.26 -1.32 121.20 116.29 1p69 s ILE 584 Ca 0.01 1.55 -0.09 0.00 0.00 0.00 0.00 60.65 62.12 1p69 s ILE 584 Cb -0.00 -3.97 -0.07 0.00 0.01 0.00 0.00 42.46 38.43 1p69 s ILE 584 CO -0.12 0.35 0.51 0.42 0.00 0.00 0.00 174.94 176.10 1p69 s THR 585 N -1.21 4.98 0.12 2.92 -4.23 0.17 -0.86 115.64 117.53 1p69 s THR 585 Ca 0.45 0.39 -0.21 0.00 -1.18 0.00 0.00 61.69 61.14 1p69 s THR 585 Cb -0.30 -3.62 -0.06 0.00 1.34 0.00 0.00 72.50 69.86 1p69 s THR 585 CO 0.39 -0.04 1.72 -0.61 -0.54 0.00 0.00 174.62 175.54 1p69 h GLN 586 N 2.62 0.03 0.00 3.99 5.75 -0.25 -3.37 115.11 123.87 1p69 h GLN 586 Ca -0.47 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 1p69 h GLN 586 Cb 1.17 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.71 1p69 h GLN 586 CO 0.70 0.02 0.00 0.39 -2.65 0.00 0.00 178.83 177.29